data_15943 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15943 _Entry.Title ; Solution NMR Structure of protein of unknown function yegP from E. coli. Ontario Center for Structural Proteomics target EC0640_1_123 Northeast Structural Genomics Consortium Target ET102. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-08 _Entry.Accession_date 2008-09-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Christophe Fares . . . . 15943 2 Alexander Lemak . . . . 15943 3 Aleksandras Gutmanas . . . . 15943 4 Murthy Karra . . . . 15943 5 Adelinda Yee . H. . . 15943 6 Anthony Semesi . . . . 15943 7 Cheryl Arrowsmith . H. . . 15943 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 . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15943 . 'not applicable' 'Ontario Centre for Structural Proteomics' . 15943 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Escherichia Coli' . 15943 'Northeast structural genomics consortium (NESG)' . 15943 'Ontario Centre for structural proteomics (OCSP)' . 15943 'Protein Structure initiative (PSI)' . 15943 YegP . 15943 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15943 spectral_peak_list 3 15943 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 440 15943 '15N chemical shifts' 120 15943 '1H chemical shifts' 710 15943 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 . . 2010-06-02 2008-09-08 update BMRB 'edit assembly name' 15943 1 . . 2009-04-23 2008-09-08 original author 'original release' 15943 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K8E 'BMRB Entry Tracking System' 15943 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15943 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of protein yegP from Escherichia Coli. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Christophe Fares . . . . 15943 1 2 Alexander Lemak . . . . 15943 1 3 Aleksandras Gutmanas . . . . 15943 1 4 Murthy Karra . . . . 15943 1 5 Adelinda Yee . . . . 15943 1 6 Anthony Semesi . . . . 15943 1 7 Cheryl Arrowsmith . H. . . 15943 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15943 _Assembly.ID 1 _Assembly.Name yegP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 entity 1 $protein_of_unkown_function_yegP_from_E.coli A . yes native no no . . . 15943 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_protein_of_unkown_function_yegP_from_E.coli _Entity.Sf_category entity _Entity.Sf_framecode protein_of_unkown_function_yegP_from_E.coli _Entity.Entry_ID 15943 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name protein_of_unkown_function_yegP_from_E.coli _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 ; GVIMAGWFELSKSSDNQFRF VLKAGNGETILTSELYTSKT SAEKGIASVRSNSPQEERYE KKTASNGKFYFNLKAANHQI IGSSQMYATAQSRETGIASV KANGTSQTVKDNTGSN ; _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 116 _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 12566.956 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 PDB 2K8E . ; Solution Nmr Structure Of Protein Of Unknown Function Yegp From E. Coli. Ontario Center For Structural Proteomics Target Ec0640 ; . . . . . 100.00 130 100.00 100.00 1.94e-76 . . . . 15943 1 2 no DBJ BAB36311 . 'hypothetical protein [Escherichia coli O157:H7 str. Sakai]' . . . . . 97.41 123 98.23 99.12 5.50e-73 . . . . 15943 1 3 no DBJ BAE76581 . 'hypothetical protein [Escherichia coli str. K12 substr. W3110]' . . . . . 94.83 110 100.00 100.00 2.11e-72 . . . . 15943 1 4 no DBJ BAG77877 . 'conserved hypothetical protein [Escherichia coli SE11]' . . . . . 94.83 110 99.09 99.09 1.25e-71 . . . . 15943 1 5 no DBJ BAH46954 . 'predicted protein [Escherichia coli O55:H7]' . . . . . 94.83 110 99.09 99.09 1.25e-71 . . . . 15943 1 6 no DBJ BAI26211 . 'conserved predicted protein [Escherichia coli O26:H11 str. 11368]' . . . . . 94.83 110 99.09 99.09 1.25e-71 . . . . 15943 1 7 no EMBL CAP76586 . 'UPF0339 protein yegP [Escherichia coli LF82]' . . . . . 94.83 110 98.18 98.18 4.84e-71 . . . . 15943 1 8 no EMBL CAQ32494 . 'predicted protein [Escherichia coli BL21(DE3)]' . . . . . 94.83 110 99.09 99.09 1.25e-71 . . . . 15943 1 9 no EMBL CAQ89670 . 'conserved hypothetical protein [Escherichia fergusonii ATCC 35469]' . . . . . 94.83 110 98.18 98.18 1.20e-70 . . . . 15943 1 10 no EMBL CAQ99003 . 'conserved hypothetical protein [Escherichia coli IAI1]' . . . . . 94.83 110 99.09 99.09 1.25e-71 . . . . 15943 1 11 no EMBL CAR03465 . 'conserved hypothetical protein [Escherichia coli S88]' . . . . . 94.83 110 98.18 98.18 4.84e-71 . . . . 15943 1 12 no GB AAC75141 . 'UPF0339 family protein [Escherichia coli str. K-12 substr. MG1655]' . . . . . 94.83 110 100.00 100.00 2.11e-72 . . . . 15943 1 13 no GB AAG57143 . 'orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]' . . . . . 97.41 123 98.23 99.12 5.50e-73 . . . . 15943 1 14 no GB AAN43679 . 'conserved hypothetical protein [Shigella flexneri 2a str. 301]' . . . . . 97.41 123 99.12 99.12 7.64e-74 . . . . 15943 1 15 no GB AAN81062 . 'Hypothetical protein yegP [Escherichia coli CFT073]' . . . . . 97.41 123 98.23 98.23 3.52e-73 . . . . 15943 1 16 no GB AAP17505 . 'hypothetical protein S2270 [Shigella flexneri 2a str. 2457T]' . . . . . 97.41 123 99.12 99.12 7.64e-74 . . . . 15943 1 17 no REF NP_310915 . 'hypothetical protein ECs2888 [Escherichia coli O157:H7 str. Sakai]' . . . . . 94.83 110 98.18 99.09 6.78e-71 . . . . 15943 1 18 no REF NP_416584 . 'UPF0339 family protein [Escherichia coli str. K-12 substr. MG1655]' . . . . . 94.83 110 100.00 100.00 2.11e-72 . . . . 15943 1 19 no REF NP_707972 . 'hypothetical protein SF2145 [Shigella flexneri 2a str. 301]' . . . . . 97.41 123 99.12 99.12 7.64e-74 . . . . 15943 1 20 no REF WP_000899178 . 'hypothetical protein [Shigella flexneri]' . . . . . 97.41 123 99.12 99.12 7.64e-74 . . . . 15943 1 21 no REF WP_000929408 . 'MULTISPECIES: hypothetical protein [Proteobacteria]' . . . . . 94.83 110 99.09 99.09 1.25e-71 . . . . 15943 1 22 no SP P76402 . 'RecName: Full=UPF0339 protein YegP' . . . . . 94.83 110 100.00 100.00 2.11e-72 . . . . 15943 1 23 no SP Q83KI3 . 'RecName: Full=UPF0339 protein YegP' . . . . . 94.83 110 99.09 99.09 1.25e-71 . . . . 15943 1 24 no SP Q8FG00 . 'RecName: Full=UPF0339 protein YegP' . . . . . 94.83 110 98.18 98.18 4.84e-71 . . . . 15943 1 25 no SP Q8X7I0 . 'RecName: Full=UPF0339 protein YegP' . . . . . 94.83 110 98.18 99.09 6.78e-71 . . . . 15943 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 15943 1 2 . VAL . 15943 1 3 . ILE . 15943 1 4 . MET . 15943 1 5 . ALA . 15943 1 6 . GLY . 15943 1 7 . TRP . 15943 1 8 . PHE . 15943 1 9 . GLU . 15943 1 10 . LEU . 15943 1 11 . SER . 15943 1 12 . LYS . 15943 1 13 . SER . 15943 1 14 . SER . 15943 1 15 . ASP . 15943 1 16 . ASN . 15943 1 17 . GLN . 15943 1 18 . PHE . 15943 1 19 . ARG . 15943 1 20 . PHE . 15943 1 21 . VAL . 15943 1 22 . LEU . 15943 1 23 . LYS . 15943 1 24 . ALA . 15943 1 25 . GLY . 15943 1 26 . ASN . 15943 1 27 . GLY . 15943 1 28 . GLU . 15943 1 29 . THR . 15943 1 30 . ILE . 15943 1 31 . LEU . 15943 1 32 . THR . 15943 1 33 . SER . 15943 1 34 . GLU . 15943 1 35 . LEU . 15943 1 36 . TYR . 15943 1 37 . THR . 15943 1 38 . SER . 15943 1 39 . LYS . 15943 1 40 . THR . 15943 1 41 . SER . 15943 1 42 . ALA . 15943 1 43 . GLU . 15943 1 44 . LYS . 15943 1 45 . GLY . 15943 1 46 . ILE . 15943 1 47 . ALA . 15943 1 48 . SER . 15943 1 49 . VAL . 15943 1 50 . ARG . 15943 1 51 . SER . 15943 1 52 . ASN . 15943 1 53 . SER . 15943 1 54 . PRO . 15943 1 55 . GLN . 15943 1 56 . GLU . 15943 1 57 . GLU . 15943 1 58 . ARG . 15943 1 59 . TYR . 15943 1 60 . GLU . 15943 1 61 . LYS . 15943 1 62 . LYS . 15943 1 63 . THR . 15943 1 64 . ALA . 15943 1 65 . SER . 15943 1 66 . ASN . 15943 1 67 . GLY . 15943 1 68 . LYS . 15943 1 69 . PHE . 15943 1 70 . TYR . 15943 1 71 . PHE . 15943 1 72 . ASN . 15943 1 73 . LEU . 15943 1 74 . LYS . 15943 1 75 . ALA . 15943 1 76 . ALA . 15943 1 77 . ASN . 15943 1 78 . HIS . 15943 1 79 . GLN . 15943 1 80 . ILE . 15943 1 81 . ILE . 15943 1 82 . GLY . 15943 1 83 . SER . 15943 1 84 . SER . 15943 1 85 . GLN . 15943 1 86 . MET . 15943 1 87 . TYR . 15943 1 88 . ALA . 15943 1 89 . THR . 15943 1 90 . ALA . 15943 1 91 . GLN . 15943 1 92 . SER . 15943 1 93 . ARG . 15943 1 94 . GLU . 15943 1 95 . THR . 15943 1 96 . GLY . 15943 1 97 . ILE . 15943 1 98 . ALA . 15943 1 99 . SER . 15943 1 100 . VAL . 15943 1 101 . LYS . 15943 1 102 . ALA . 15943 1 103 . ASN . 15943 1 104 . GLY . 15943 1 105 . THR . 15943 1 106 . SER . 15943 1 107 . GLN . 15943 1 108 . THR . 15943 1 109 . VAL . 15943 1 110 . LYS . 15943 1 111 . ASP . 15943 1 112 . ASN . 15943 1 113 . THR . 15943 1 114 . GLY . 15943 1 115 . SER . 15943 1 116 . ASN . 15943 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15943 1 . VAL 2 2 15943 1 . ILE 3 3 15943 1 . MET 4 4 15943 1 . ALA 5 5 15943 1 . GLY 6 6 15943 1 . TRP 7 7 15943 1 . PHE 8 8 15943 1 . GLU 9 9 15943 1 . LEU 10 10 15943 1 . SER 11 11 15943 1 . LYS 12 12 15943 1 . SER 13 13 15943 1 . SER 14 14 15943 1 . ASP 15 15 15943 1 . ASN 16 16 15943 1 . GLN 17 17 15943 1 . PHE 18 18 15943 1 . ARG 19 19 15943 1 . PHE 20 20 15943 1 . VAL 21 21 15943 1 . LEU 22 22 15943 1 . LYS 23 23 15943 1 . ALA 24 24 15943 1 . GLY 25 25 15943 1 . ASN 26 26 15943 1 . GLY 27 27 15943 1 . GLU 28 28 15943 1 . THR 29 29 15943 1 . ILE 30 30 15943 1 . LEU 31 31 15943 1 . THR 32 32 15943 1 . SER 33 33 15943 1 . GLU 34 34 15943 1 . LEU 35 35 15943 1 . TYR 36 36 15943 1 . THR 37 37 15943 1 . SER 38 38 15943 1 . LYS 39 39 15943 1 . THR 40 40 15943 1 . SER 41 41 15943 1 . ALA 42 42 15943 1 . GLU 43 43 15943 1 . LYS 44 44 15943 1 . GLY 45 45 15943 1 . ILE 46 46 15943 1 . ALA 47 47 15943 1 . SER 48 48 15943 1 . VAL 49 49 15943 1 . ARG 50 50 15943 1 . SER 51 51 15943 1 . ASN 52 52 15943 1 . SER 53 53 15943 1 . PRO 54 54 15943 1 . GLN 55 55 15943 1 . GLU 56 56 15943 1 . GLU 57 57 15943 1 . ARG 58 58 15943 1 . TYR 59 59 15943 1 . GLU 60 60 15943 1 . LYS 61 61 15943 1 . LYS 62 62 15943 1 . THR 63 63 15943 1 . ALA 64 64 15943 1 . SER 65 65 15943 1 . ASN 66 66 15943 1 . GLY 67 67 15943 1 . LYS 68 68 15943 1 . PHE 69 69 15943 1 . TYR 70 70 15943 1 . PHE 71 71 15943 1 . ASN 72 72 15943 1 . LEU 73 73 15943 1 . LYS 74 74 15943 1 . ALA 75 75 15943 1 . ALA 76 76 15943 1 . ASN 77 77 15943 1 . HIS 78 78 15943 1 . GLN 79 79 15943 1 . ILE 80 80 15943 1 . ILE 81 81 15943 1 . GLY 82 82 15943 1 . SER 83 83 15943 1 . SER 84 84 15943 1 . GLN 85 85 15943 1 . MET 86 86 15943 1 . TYR 87 87 15943 1 . ALA 88 88 15943 1 . THR 89 89 15943 1 . ALA 90 90 15943 1 . GLN 91 91 15943 1 . SER 92 92 15943 1 . ARG 93 93 15943 1 . GLU 94 94 15943 1 . THR 95 95 15943 1 . GLY 96 96 15943 1 . ILE 97 97 15943 1 . ALA 98 98 15943 1 . SER 99 99 15943 1 . VAL 100 100 15943 1 . LYS 101 101 15943 1 . ALA 102 102 15943 1 . ASN 103 103 15943 1 . GLY 104 104 15943 1 . THR 105 105 15943 1 . SER 106 106 15943 1 . GLN 107 107 15943 1 . THR 108 108 15943 1 . VAL 109 109 15943 1 . LYS 110 110 15943 1 . ASP 111 111 15943 1 . ASN 112 112 15943 1 . THR 113 113 15943 1 . GLY 114 114 15943 1 . SER 115 115 15943 1 . ASN 116 116 15943 1 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 15943 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $protein_of_unkown_function_yegP_from_E.coli . 562 plasmid . 'Escherichia coli k12' . . . Bacteria . Escherichia coli K12 . . . . . . . . . . . . 15943 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 15943 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $protein_of_unkown_function_yegP_from_E.coli . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . P11 . . . 15943 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15943 _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 EC0640 '[U-100% 13C; U-100% 15N]' . . 1 $protein_of_unkown_function_yegP_from_E.coli . . 0.4-0.7 . . mM . . . . 15943 1 2 tris . . . . . . . 10 . . mM . . . . 15943 1 3 NaCl . . . . . . . 300 . . mM . . . . 15943 1 4 benzamidine . . . . . . . 1 . . mM . . . . 15943 1 5 NaN3 . . . . . . . 0.01 . . % . . . . 15943 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15943 _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' 300 . mM 15943 1 pH 7.0 . pH 15943 1 pressure 1 . atm 15943 1 temperature 298 . K 15943 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15943 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15943 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15943 2 stop_ save_ save_abacus _Software.Sf_category software _Software.Sf_framecode abacus _Software.Entry_ID 15943 _Software.ID 3 _Software.Type . _Software.Name ABACUS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lemak, Steren, Arrowsmith, Llinas' . . 15943 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15943 3 'structure solution' 15943 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15943 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15943 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15943 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15943 _Software.ID 5 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ' . . 15943 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15943 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15943 _Software.ID 6 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15943 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15943 6 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15943 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15943 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15943 1 'peak picking' 15943 1 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 15943 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Cryoprobe TCI 5mm' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15943 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Cryoprobe TCI 5mm' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15943 _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 . 600 'Cryoprobe TCI 5mm' . . 15943 1 2 spectrometer_2 Bruker Avance . 800 'Cryoprobe TCI 5mm' . . 15943 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 15943 _Experiment_list.ID 1 _Experiment_list.Details 'all experiments using non-uniform sampling' 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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15943 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15943 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15943 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15943 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15943 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15943 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15943 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15943 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15943 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15943 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 15943 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 15943 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000 . . . . . 15943 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 15943 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 15943 _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 3 '3D CBCA(CO)NH' . . . 15943 1 4 '3D HNCO' . . . 15943 1 5 '3D HNCA' . . . 15943 1 6 '3D HNCACB' . . . 15943 1 7 '3D HBHA(CO)NH' . . . 15943 1 8 '3D HCCH-TOCSY' . . . 15943 1 9 '3D 1H-15N NOESY' . . . 15943 1 10 '3D 1H-13C NOESY' . . . 15943 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $abacus . . 15943 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.37 0.0300 . 1 . . . . . 14 GLY H . 15943 1 2 . 1 1 1 1 GLY HA2 H 1 3.92 0.0300 . 2 . . . . . 14 GLY HA2 . 15943 1 3 . 1 1 1 1 GLY HA3 H 1 3.92 0.0300 . 2 . . . . . 14 GLY HA3 . 15943 1 4 . 1 1 1 1 GLY C C 13 173.79 0.4000 . 1 . . . . . 14 GLY C . 15943 1 5 . 1 1 1 1 GLY CA C 13 45.23 0.4000 . 1 . . . . . 14 GLY CA . 15943 1 6 . 1 1 1 1 GLY N N 15 109.42 0.4000 . 1 . . . . . 14 GLY N . 15943 1 7 . 1 1 2 2 VAL H H 1 7.85 0.0300 . 1 . . . . . 15 VAL H . 15943 1 8 . 1 1 2 2 VAL HA H 1 4.02 0.0300 . 1 . . . . . 15 VAL HA . 15943 1 9 . 1 1 2 2 VAL HB H 1 2.05 0.0300 . 1 . . . . . 15 VAL HB . 15943 1 10 . 1 1 2 2 VAL HG11 H 1 0.86 0.0300 . 2 . . . . . 15 VAL HG1 . 15943 1 11 . 1 1 2 2 VAL HG12 H 1 0.86 0.0300 . 2 . . . . . 15 VAL HG1 . 15943 1 12 . 1 1 2 2 VAL HG13 H 1 0.86 0.0300 . 2 . . . . . 15 VAL HG1 . 15943 1 13 . 1 1 2 2 VAL HG21 H 1 0.89 0.0300 . 2 . . . . . 15 VAL HG2 . 15943 1 14 . 1 1 2 2 VAL HG22 H 1 0.89 0.0300 . 2 . . . . . 15 VAL HG2 . 15943 1 15 . 1 1 2 2 VAL HG23 H 1 0.89 0.0300 . 2 . . . . . 15 VAL HG2 . 15943 1 16 . 1 1 2 2 VAL C C 13 175.64 0.4000 . 1 . . . . . 15 VAL C . 15943 1 17 . 1 1 2 2 VAL CA C 13 62.29 0.4000 . 1 . . . . . 15 VAL CA . 15943 1 18 . 1 1 2 2 VAL CB C 13 32.71 0.4000 . 1 . . . . . 15 VAL CB . 15943 1 19 . 1 1 2 2 VAL CG1 C 13 21.28 0.4000 . 1 . . . . . 15 VAL CG1 . 15943 1 20 . 1 1 2 2 VAL CG2 C 13 20.83 0.4000 . 1 . . . . . 15 VAL CG2 . 15943 1 21 . 1 1 2 2 VAL N N 15 119.73 0.4000 . 1 . . . . . 15 VAL N . 15943 1 22 . 1 1 3 3 ILE H H 1 8.24 0.0300 . 1 . . . . . 16 ILE H . 15943 1 23 . 1 1 3 3 ILE HA H 1 4.19 0.0300 . 1 . . . . . 16 ILE HA . 15943 1 24 . 1 1 3 3 ILE HB H 1 1.83 0.0300 . 1 . . . . . 16 ILE HB . 15943 1 25 . 1 1 3 3 ILE HD11 H 1 0.81 0.0300 . 1 . . . . . 16 ILE HD1 . 15943 1 26 . 1 1 3 3 ILE HD12 H 1 0.81 0.0300 . 1 . . . . . 16 ILE HD1 . 15943 1 27 . 1 1 3 3 ILE HD13 H 1 0.81 0.0300 . 1 . . . . . 16 ILE HD1 . 15943 1 28 . 1 1 3 3 ILE HG12 H 1 1.45 0.0300 . 2 . . . . . 16 ILE HG12 . 15943 1 29 . 1 1 3 3 ILE HG13 H 1 1.19 0.0300 . 2 . . . . . 16 ILE HG13 . 15943 1 30 . 1 1 3 3 ILE HG21 H 1 0.90 0.0300 . 1 . . . . . 16 ILE HG2 . 15943 1 31 . 1 1 3 3 ILE HG22 H 1 0.90 0.0300 . 1 . . . . . 16 ILE HG2 . 15943 1 32 . 1 1 3 3 ILE HG23 H 1 0.90 0.0300 . 1 . . . . . 16 ILE HG2 . 15943 1 33 . 1 1 3 3 ILE C C 13 176.22 0.4000 . 1 . . . . . 16 ILE C . 15943 1 34 . 1 1 3 3 ILE CA C 13 60.77 0.4000 . 1 . . . . . 16 ILE CA . 15943 1 35 . 1 1 3 3 ILE CB C 13 38.20 0.4000 . 1 . . . . . 16 ILE CB . 15943 1 36 . 1 1 3 3 ILE CD1 C 13 12.39 0.4000 . 1 . . . . . 16 ILE CD1 . 15943 1 37 . 1 1 3 3 ILE CG1 C 13 27.22 0.4000 . 1 . . . . . 16 ILE CG1 . 15943 1 38 . 1 1 3 3 ILE CG2 C 13 17.57 0.4000 . 1 . . . . . 16 ILE CG2 . 15943 1 39 . 1 1 3 3 ILE N N 15 125.72 0.4000 . 1 . . . . . 16 ILE N . 15943 1 40 . 1 1 4 4 MET H H 1 8.44 0.0300 . 1 . . . . . 17 MET H . 15943 1 41 . 1 1 4 4 MET HA H 1 4.64 0.0300 . 1 . . . . . 17 MET HA . 15943 1 42 . 1 1 4 4 MET HB2 H 1 2.17 0.0300 . 2 . . . . . 17 MET HB2 . 15943 1 43 . 1 1 4 4 MET HB3 H 1 2.03 0.0300 . 2 . . . . . 17 MET HB3 . 15943 1 44 . 1 1 4 4 MET HG2 H 1 2.54 0.0300 . 2 . . . . . 17 MET HG2 . 15943 1 45 . 1 1 4 4 MET HG3 H 1 2.64 0.0300 . 2 . . . . . 17 MET HG3 . 15943 1 46 . 1 1 4 4 MET C C 13 175.02 0.4000 . 1 . . . . . 17 MET C . 15943 1 47 . 1 1 4 4 MET CA C 13 55.12 0.4000 . 1 . . . . . 17 MET CA . 15943 1 48 . 1 1 4 4 MET CB C 13 32.75 0.4000 . 1 . . . . . 17 MET CB . 15943 1 49 . 1 1 4 4 MET CG C 13 32.27 0.4000 . 1 . . . . . 17 MET CG . 15943 1 50 . 1 1 4 4 MET N N 15 126.01 0.4000 . 1 . . . . . 17 MET N . 15943 1 51 . 1 1 5 5 ALA H H 1 8.47 0.0300 . 1 . . . . . 18 ALA H . 15943 1 52 . 1 1 5 5 ALA HA H 1 4.51 0.0300 . 1 . . . . . 18 ALA HA . 15943 1 53 . 1 1 5 5 ALA HB1 H 1 1.59 0.0300 . 1 . . . . . 18 ALA HB . 15943 1 54 . 1 1 5 5 ALA HB2 H 1 1.59 0.0300 . 1 . . . . . 18 ALA HB . 15943 1 55 . 1 1 5 5 ALA HB3 H 1 1.59 0.0300 . 1 . . . . . 18 ALA HB . 15943 1 56 . 1 1 5 5 ALA C C 13 177.79 0.4000 . 1 . . . . . 18 ALA C . 15943 1 57 . 1 1 5 5 ALA CA C 13 52.52 0.4000 . 1 . . . . . 18 ALA CA . 15943 1 58 . 1 1 5 5 ALA CB C 13 19.69 0.4000 . 1 . . . . . 18 ALA CB . 15943 1 59 . 1 1 5 5 ALA N N 15 124.53 0.4000 . 1 . . . . . 18 ALA N . 15943 1 60 . 1 1 6 6 GLY H H 1 7.91 0.0300 . 1 . . . . . 19 GLY H . 15943 1 61 . 1 1 6 6 GLY HA2 H 1 3.94 0.0300 . 2 . . . . . 19 GLY HA2 . 15943 1 62 . 1 1 6 6 GLY HA3 H 1 3.84 0.0300 . 2 . . . . . 19 GLY HA3 . 15943 1 63 . 1 1 6 6 GLY C C 13 173.32 0.4000 . 1 . . . . . 19 GLY C . 15943 1 64 . 1 1 6 6 GLY CA C 13 44.59 0.4000 . 1 . . . . . 19 GLY CA . 15943 1 65 . 1 1 6 6 GLY N N 15 106.02 0.4000 . 1 . . . . . 19 GLY N . 15943 1 66 . 1 1 7 7 TRP H H 1 7.95 0.0300 . 1 . . . . . 20 TRP H . 15943 1 67 . 1 1 7 7 TRP HA H 1 5.13 0.0300 . 1 . . . . . 20 TRP HA . 15943 1 68 . 1 1 7 7 TRP HB2 H 1 3.52 0.0300 . 2 . . . . . 20 TRP HB2 . 15943 1 69 . 1 1 7 7 TRP HB3 H 1 2.95 0.0300 . 2 . . . . . 20 TRP HB3 . 15943 1 70 . 1 1 7 7 TRP HD1 H 1 7.02 0.0300 . 1 . . . . . 20 TRP HD1 . 15943 1 71 . 1 1 7 7 TRP HE1 H 1 11.47 0.0300 . 1 . . . . . 20 TRP HE1 . 15943 1 72 . 1 1 7 7 TRP HE3 H 1 7.65 0.0300 . 1 . . . . . 20 TRP HE3 . 15943 1 73 . 1 1 7 7 TRP HH2 H 1 7.01 0.0300 . 1 . . . . . 20 TRP HH2 . 15943 1 74 . 1 1 7 7 TRP HZ2 H 1 7.42 0.0300 . 1 . . . . . 20 TRP HZ2 . 15943 1 75 . 1 1 7 7 TRP HZ3 H 1 7.19 0.0300 . 1 . . . . . 20 TRP HZ3 . 15943 1 76 . 1 1 7 7 TRP C C 13 172.24 0.4000 . 1 . . . . . 20 TRP C . 15943 1 77 . 1 1 7 7 TRP CA C 13 57.73 0.4000 . 1 . . . . . 20 TRP CA . 15943 1 78 . 1 1 7 7 TRP CB C 13 31.20 0.4000 . 1 . . . . . 20 TRP CB . 15943 1 79 . 1 1 7 7 TRP CD1 C 13 127.08 0.4000 . 1 . . . . . 20 TRP CD1 . 15943 1 80 . 1 1 7 7 TRP CE3 C 13 121.60 0.4000 . 1 . . . . . 20 TRP CE3 . 15943 1 81 . 1 1 7 7 TRP CH2 C 13 124.23 0.4000 . 1 . . . . . 20 TRP CH2 . 15943 1 82 . 1 1 7 7 TRP CZ2 C 13 113.99 0.4000 . 1 . . . . . 20 TRP CZ2 . 15943 1 83 . 1 1 7 7 TRP CZ3 C 13 123.50 0.4000 . 1 . . . . . 20 TRP CZ3 . 15943 1 84 . 1 1 7 7 TRP N N 15 115.41 0.4000 . 1 . . . . . 20 TRP N . 15943 1 85 . 1 1 7 7 TRP NE1 N 15 131.92 0.4000 . 1 . . . . . 20 TRP NE1 . 15943 1 86 . 1 1 8 8 PHE H H 1 8.94 0.0300 . 1 . . . . . 21 PHE H . 15943 1 87 . 1 1 8 8 PHE HA H 1 5.75 0.0300 . 1 . . . . . 21 PHE HA . 15943 1 88 . 1 1 8 8 PHE HB2 H 1 3.13 0.0300 . 2 . . . . . 21 PHE HB2 . 15943 1 89 . 1 1 8 8 PHE HB3 H 1 2.83 0.0300 . 2 . . . . . 21 PHE HB3 . 15943 1 90 . 1 1 8 8 PHE HD1 H 1 7.07 0.0300 . 1 . . . . . 21 PHE HD1 . 15943 1 91 . 1 1 8 8 PHE HD2 H 1 7.07 0.0300 . 1 . . . . . 21 PHE HD2 . 15943 1 92 . 1 1 8 8 PHE HE1 H 1 7.25 0.0300 . 1 . . . . . 21 PHE HE1 . 15943 1 93 . 1 1 8 8 PHE HE2 H 1 7.25 0.0300 . 1 . . . . . 21 PHE HE2 . 15943 1 94 . 1 1 8 8 PHE C C 13 177.11 0.4000 . 1 . . . . . 21 PHE C . 15943 1 95 . 1 1 8 8 PHE CA C 13 56.85 0.4000 . 1 . . . . . 21 PHE CA . 15943 1 96 . 1 1 8 8 PHE CB C 13 43.21 0.4000 . 1 . . . . . 21 PHE CB . 15943 1 97 . 1 1 8 8 PHE CD1 C 13 132.82 0.4000 . 1 . . . . . 21 PHE CD1 . 15943 1 98 . 1 1 8 8 PHE CE1 C 13 131.22 0.4000 . 1 . . . . . 21 PHE CE1 . 15943 1 99 . 1 1 8 8 PHE N N 15 116.33 0.4000 . 1 . . . . . 21 PHE N . 15943 1 100 . 1 1 9 9 GLU H H 1 9.51 0.0300 . 1 . . . . . 22 GLU H . 15943 1 101 . 1 1 9 9 GLU HA H 1 5.64 0.0300 . 1 . . . . . 22 GLU HA . 15943 1 102 . 1 1 9 9 GLU HB2 H 1 2.14 0.0300 . 2 . . . . . 22 GLU HB2 . 15943 1 103 . 1 1 9 9 GLU HB3 H 1 2.05 0.0300 . 2 . . . . . 22 GLU HB3 . 15943 1 104 . 1 1 9 9 GLU HG2 H 1 2.50 0.0300 . 2 . . . . . 22 GLU HG2 . 15943 1 105 . 1 1 9 9 GLU HG3 H 1 2.50 0.0300 . 2 . . . . . 22 GLU HG3 . 15943 1 106 . 1 1 9 9 GLU C C 13 175.83 0.4000 . 1 . . . . . 22 GLU C . 15943 1 107 . 1 1 9 9 GLU CA C 13 55.29 0.4000 . 1 . . . . . 22 GLU CA . 15943 1 108 . 1 1 9 9 GLU CB C 13 32.59 0.4000 . 1 . . . . . 22 GLU CB . 15943 1 109 . 1 1 9 9 GLU CG C 13 37.18 0.4000 . 1 . . . . . 22 GLU CG . 15943 1 110 . 1 1 9 9 GLU N N 15 119.17 0.4000 . 1 . . . . . 22 GLU N . 15943 1 111 . 1 1 10 10 LEU H H 1 9.08 0.0300 . 1 . . . . . 23 LEU H . 15943 1 112 . 1 1 10 10 LEU HA H 1 5.31 0.0300 . 1 . . . . . 23 LEU HA . 15943 1 113 . 1 1 10 10 LEU HB2 H 1 1.87 0.0300 . 2 . . . . . 23 LEU HB2 . 15943 1 114 . 1 1 10 10 LEU HB3 H 1 1.44 0.0300 . 2 . . . . . 23 LEU HB3 . 15943 1 115 . 1 1 10 10 LEU HD11 H 1 0.89 0.0300 . 2 . . . . . 23 LEU HD1 . 15943 1 116 . 1 1 10 10 LEU HD12 H 1 0.89 0.0300 . 2 . . . . . 23 LEU HD1 . 15943 1 117 . 1 1 10 10 LEU HD13 H 1 0.89 0.0300 . 2 . . . . . 23 LEU HD1 . 15943 1 118 . 1 1 10 10 LEU HD21 H 1 0.96 0.0300 . 2 . . . . . 23 LEU HD2 . 15943 1 119 . 1 1 10 10 LEU HD22 H 1 0.96 0.0300 . 2 . . . . . 23 LEU HD2 . 15943 1 120 . 1 1 10 10 LEU HD23 H 1 0.96 0.0300 . 2 . . . . . 23 LEU HD2 . 15943 1 121 . 1 1 10 10 LEU HG H 1 1.63 0.0300 . 1 . . . . . 23 LEU HG . 15943 1 122 . 1 1 10 10 LEU C C 13 174.43 0.4000 . 1 . . . . . 23 LEU C . 15943 1 123 . 1 1 10 10 LEU CA C 13 54.25 0.4000 . 1 . . . . . 23 LEU CA . 15943 1 124 . 1 1 10 10 LEU CB C 13 46.19 0.4000 . 1 . . . . . 23 LEU CB . 15943 1 125 . 1 1 10 10 LEU CD1 C 13 26.24 0.4000 . 1 . . . . . 23 LEU CD1 . 15943 1 126 . 1 1 10 10 LEU CD2 C 13 25.36 0.4000 . 1 . . . . . 23 LEU CD2 . 15943 1 127 . 1 1 10 10 LEU CG C 13 27.59 0.4000 . 1 . . . . . 23 LEU CG . 15943 1 128 . 1 1 10 10 LEU N N 15 128.56 0.4000 . 1 . . . . . 23 LEU N . 15943 1 129 . 1 1 11 11 SER H H 1 9.42 0.0300 . 1 . . . . . 24 SER H . 15943 1 130 . 1 1 11 11 SER HA H 1 4.68 0.0300 . 1 . . . . . 24 SER HA . 15943 1 131 . 1 1 11 11 SER HB2 H 1 3.91 0.0300 . 2 . . . . . 24 SER HB2 . 15943 1 132 . 1 1 11 11 SER HB3 H 1 3.85 0.0300 . 2 . . . . . 24 SER HB3 . 15943 1 133 . 1 1 11 11 SER C C 13 171.61 0.4000 . 1 . . . . . 24 SER C . 15943 1 134 . 1 1 11 11 SER CA C 13 57.54 0.4000 . 1 . . . . . 24 SER CA . 15943 1 135 . 1 1 11 11 SER CB C 13 66.27 0.4000 . 1 . . . . . 24 SER CB . 15943 1 136 . 1 1 11 11 SER N N 15 118.61 0.4000 . 1 . . . . . 24 SER N . 15943 1 137 . 1 1 12 12 LYS H H 1 8.65 0.0300 . 1 . . . . . 25 LYS H . 15943 1 138 . 1 1 12 12 LYS HA H 1 4.94 0.0300 . 1 . . . . . 25 LYS HA . 15943 1 139 . 1 1 12 12 LYS HB2 H 1 1.60 0.0300 . 2 . . . . . 25 LYS HB2 . 15943 1 140 . 1 1 12 12 LYS HB3 H 1 1.31 0.0300 . 2 . . . . . 25 LYS HB3 . 15943 1 141 . 1 1 12 12 LYS HD2 H 1 1.50 0.0300 . 2 . . . . . 25 LYS HD2 . 15943 1 142 . 1 1 12 12 LYS HD3 H 1 1.50 0.0300 . 2 . . . . . 25 LYS HD3 . 15943 1 143 . 1 1 12 12 LYS HE2 H 1 2.88 0.0300 . 2 . . . . . 25 LYS HE2 . 15943 1 144 . 1 1 12 12 LYS HE3 H 1 2.75 0.0300 . 2 . . . . . 25 LYS HE3 . 15943 1 145 . 1 1 12 12 LYS HG2 H 1 0.74 0.0300 . 2 . . . . . 25 LYS HG2 . 15943 1 146 . 1 1 12 12 LYS HG3 H 1 0.74 0.0300 . 2 . . . . . 25 LYS HG3 . 15943 1 147 . 1 1 12 12 LYS C C 13 176.36 0.4000 . 1 . . . . . 25 LYS C . 15943 1 148 . 1 1 12 12 LYS CA C 13 54.46 0.4000 . 1 . . . . . 25 LYS CA . 15943 1 149 . 1 1 12 12 LYS CB C 13 35.28 0.4000 . 1 . . . . . 25 LYS CB . 15943 1 150 . 1 1 12 12 LYS CD C 13 29.41 0.4000 . 1 . . . . . 25 LYS CD . 15943 1 151 . 1 1 12 12 LYS CE C 13 41.74 0.4000 . 1 . . . . . 25 LYS CE . 15943 1 152 . 1 1 12 12 LYS CG C 13 24.15 0.4000 . 1 . . . . . 25 LYS CG . 15943 1 153 . 1 1 12 12 LYS N N 15 120.19 0.4000 . 1 . . . . . 25 LYS N . 15943 1 154 . 1 1 13 13 SER H H 1 8.72 0.0300 . 1 . . . . . 26 SER H . 15943 1 155 . 1 1 13 13 SER HA H 1 4.57 0.0300 . 1 . . . . . 26 SER HA . 15943 1 156 . 1 1 13 13 SER HB2 H 1 4.07 0.0300 . 2 . . . . . 26 SER HB2 . 15943 1 157 . 1 1 13 13 SER HB3 H 1 4.07 0.0300 . 2 . . . . . 26 SER HB3 . 15943 1 158 . 1 1 13 13 SER CA C 13 57.32 0.4000 . 1 . . . . . 26 SER CA . 15943 1 159 . 1 1 13 13 SER CB C 13 65.26 0.4000 . 1 . . . . . 26 SER CB . 15943 1 160 . 1 1 13 13 SER N N 15 120.13 0.4000 . 1 . . . . . 26 SER N . 15943 1 161 . 1 1 14 14 SER HA H 1 4.24 0.0300 . 1 . . . . . 27 SER HA . 15943 1 162 . 1 1 14 14 SER HB2 H 1 3.95 0.0300 . 2 . . . . . 27 SER HB2 . 15943 1 163 . 1 1 14 14 SER HB3 H 1 3.95 0.0300 . 2 . . . . . 27 SER HB3 . 15943 1 164 . 1 1 14 14 SER C C 13 174.10 0.4000 . 1 . . . . . 27 SER C . 15943 1 165 . 1 1 14 14 SER CA C 13 59.87 0.4000 . 1 . . . . . 27 SER CA . 15943 1 166 . 1 1 14 14 SER CB C 13 63.00 0.4000 . 1 . . . . . 27 SER CB . 15943 1 167 . 1 1 15 15 ASP H H 1 8.22 0.0300 . 1 . . . . . 28 ASP H . 15943 1 168 . 1 1 15 15 ASP HA H 1 4.56 0.0300 . 1 . . . . . 28 ASP HA . 15943 1 169 . 1 1 15 15 ASP HB2 H 1 2.71 0.0300 . 2 . . . . . 28 ASP HB2 . 15943 1 170 . 1 1 15 15 ASP HB3 H 1 2.62 0.0300 . 2 . . . . . 28 ASP HB3 . 15943 1 171 . 1 1 15 15 ASP C C 13 175.25 0.4000 . 1 . . . . . 28 ASP C . 15943 1 172 . 1 1 15 15 ASP CA C 13 54.18 0.4000 . 1 . . . . . 28 ASP CA . 15943 1 173 . 1 1 15 15 ASP CB C 13 39.66 0.4000 . 1 . . . . . 28 ASP CB . 15943 1 174 . 1 1 15 15 ASP N N 15 118.09 0.4000 . 1 . . . . . 28 ASP N . 15943 1 175 . 1 1 16 16 ASN H H 1 8.11 0.0300 . 1 . . . . . 29 ASN H . 15943 1 176 . 1 1 16 16 ASN HA H 1 4.21 0.0300 . 1 . . . . . 29 ASN HA . 15943 1 177 . 1 1 16 16 ASN HB2 H 1 3.01 0.0300 . 2 . . . . . 29 ASN HB2 . 15943 1 178 . 1 1 16 16 ASN HB3 H 1 2.92 0.0300 . 2 . . . . . 29 ASN HB3 . 15943 1 179 . 1 1 16 16 ASN C C 13 173.61 0.4000 . 1 . . . . . 29 ASN C . 15943 1 180 . 1 1 16 16 ASN CA C 13 54.21 0.4000 . 1 . . . . . 29 ASN CA . 15943 1 181 . 1 1 16 16 ASN CB C 13 37.36 0.4000 . 1 . . . . . 29 ASN CB . 15943 1 182 . 1 1 16 16 ASN N N 15 113.65 0.4000 . 1 . . . . . 29 ASN N . 15943 1 183 . 1 1 17 17 GLN H H 1 7.23 0.0300 . 1 . . . . . 30 GLN H . 15943 1 184 . 1 1 17 17 GLN HA H 1 4.80 0.0300 . 1 . . . . . 30 GLN HA . 15943 1 185 . 1 1 17 17 GLN HB2 H 1 2.12 0.0300 . 2 . . . . . 30 GLN HB2 . 15943 1 186 . 1 1 17 17 GLN HB3 H 1 1.84 0.0300 . 2 . . . . . 30 GLN HB3 . 15943 1 187 . 1 1 17 17 GLN HE21 H 1 6.58 0.0300 . 2 . . . . . 30 GLN HE21 . 15943 1 188 . 1 1 17 17 GLN HE22 H 1 7.41 0.0300 . 2 . . . . . 30 GLN HE22 . 15943 1 189 . 1 1 17 17 GLN C C 13 174.24 0.4000 . 1 . . . . . 30 GLN C . 15943 1 190 . 1 1 17 17 GLN CA C 13 54.90 0.4000 . 1 . . . . . 30 GLN CA . 15943 1 191 . 1 1 17 17 GLN CB C 13 31.44 0.4000 . 1 . . . . . 30 GLN CB . 15943 1 192 . 1 1 17 17 GLN N N 15 115.25 0.4000 . 1 . . . . . 30 GLN N . 15943 1 193 . 1 1 17 17 GLN NE2 N 15 110.90 0.4000 . 1 . . . . . 30 GLN NE2 . 15943 1 194 . 1 1 18 18 PHE H H 1 9.28 0.0300 . 1 . . . . . 31 PHE H . 15943 1 195 . 1 1 18 18 PHE HA H 1 5.32 0.0300 . 1 . . . . . 31 PHE HA . 15943 1 196 . 1 1 18 18 PHE HB2 H 1 2.82 0.0300 . 2 . . . . . 31 PHE HB2 . 15943 1 197 . 1 1 18 18 PHE HB3 H 1 2.75 0.0300 . 2 . . . . . 31 PHE HB3 . 15943 1 198 . 1 1 18 18 PHE HD1 H 1 6.95 0.0300 . 1 . . . . . 31 PHE HD1 . 15943 1 199 . 1 1 18 18 PHE HD2 H 1 6.95 0.0300 . 1 . . . . . 31 PHE HD2 . 15943 1 200 . 1 1 18 18 PHE HE1 H 1 7.32 0.0300 . 1 . . . . . 31 PHE HE1 . 15943 1 201 . 1 1 18 18 PHE HE2 H 1 7.32 0.0300 . 1 . . . . . 31 PHE HE2 . 15943 1 202 . 1 1 18 18 PHE C C 13 174.20 0.4000 . 1 . . . . . 31 PHE C . 15943 1 203 . 1 1 18 18 PHE CA C 13 57.26 0.4000 . 1 . . . . . 31 PHE CA . 15943 1 204 . 1 1 18 18 PHE CB C 13 43.38 0.4000 . 1 . . . . . 31 PHE CB . 15943 1 205 . 1 1 18 18 PHE CD1 C 13 131.22 0.4000 . 1 . . . . . 31 PHE CD1 . 15943 1 206 . 1 1 18 18 PHE CE1 C 13 131.56 0.4000 . 1 . . . . . 31 PHE CE1 . 15943 1 207 . 1 1 18 18 PHE N N 15 119.01 0.4000 . 1 . . . . . 31 PHE N . 15943 1 208 . 1 1 19 19 ARG H H 1 8.91 0.0300 . 1 . . . . . 32 ARG H . 15943 1 209 . 1 1 19 19 ARG HA H 1 4.87 0.0300 . 1 . . . . . 32 ARG HA . 15943 1 210 . 1 1 19 19 ARG HB2 H 1 1.71 0.0300 . 2 . . . . . 32 ARG HB2 . 15943 1 211 . 1 1 19 19 ARG HB3 H 1 1.71 0.0300 . 2 . . . . . 32 ARG HB3 . 15943 1 212 . 1 1 19 19 ARG HD2 H 1 2.94 0.0300 . 2 . . . . . 32 ARG HD2 . 15943 1 213 . 1 1 19 19 ARG HD3 H 1 2.94 0.0300 . 2 . . . . . 32 ARG HD3 . 15943 1 214 . 1 1 19 19 ARG HG2 H 1 1.51 0.0300 . 2 . . . . . 32 ARG HG2 . 15943 1 215 . 1 1 19 19 ARG HG3 H 1 1.44 0.0300 . 2 . . . . . 32 ARG HG3 . 15943 1 216 . 1 1 19 19 ARG C C 13 173.95 0.4000 . 1 . . . . . 32 ARG C . 15943 1 217 . 1 1 19 19 ARG CA C 13 54.91 0.4000 . 1 . . . . . 32 ARG CA . 15943 1 218 . 1 1 19 19 ARG CB C 13 35.29 0.4000 . 1 . . . . . 32 ARG CB . 15943 1 219 . 1 1 19 19 ARG CD C 13 43.95 0.4000 . 1 . . . . . 32 ARG CD . 15943 1 220 . 1 1 19 19 ARG CG C 13 26.77 0.4000 . 1 . . . . . 32 ARG CG . 15943 1 221 . 1 1 19 19 ARG N N 15 119.72 0.4000 . 1 . . . . . 32 ARG N . 15943 1 222 . 1 1 20 20 PHE H H 1 9.44 0.0300 . 1 . . . . . 33 PHE H . 15943 1 223 . 1 1 20 20 PHE HA H 1 6.41 0.0300 . 1 . . . . . 33 PHE HA . 15943 1 224 . 1 1 20 20 PHE HB2 H 1 3.38 0.0300 . 2 . . . . . 33 PHE HB2 . 15943 1 225 . 1 1 20 20 PHE HB3 H 1 2.88 0.0300 . 2 . . . . . 33 PHE HB3 . 15943 1 226 . 1 1 20 20 PHE C C 13 173.34 0.4000 . 1 . . . . . 33 PHE C . 15943 1 227 . 1 1 20 20 PHE CA C 13 55.43 0.4000 . 1 . . . . . 33 PHE CA . 15943 1 228 . 1 1 20 20 PHE CB C 13 44.18 0.4000 . 1 . . . . . 33 PHE CB . 15943 1 229 . 1 1 20 20 PHE N N 15 117.40 0.4000 . 1 . . . . . 33 PHE N . 15943 1 230 . 1 1 21 21 VAL H H 1 8.80 0.0300 . 1 . . . . . 34 VAL H . 15943 1 231 . 1 1 21 21 VAL HA H 1 5.34 0.0300 . 1 . . . . . 34 VAL HA . 15943 1 232 . 1 1 21 21 VAL HB H 1 2.31 0.0300 . 1 . . . . . 34 VAL HB . 15943 1 233 . 1 1 21 21 VAL HG11 H 1 1.08 0.0300 . 2 . . . . . 34 VAL HG1 . 15943 1 234 . 1 1 21 21 VAL HG12 H 1 1.08 0.0300 . 2 . . . . . 34 VAL HG1 . 15943 1 235 . 1 1 21 21 VAL HG13 H 1 1.08 0.0300 . 2 . . . . . 34 VAL HG1 . 15943 1 236 . 1 1 21 21 VAL HG21 H 1 0.92 0.0300 . 2 . . . . . 34 VAL HG2 . 15943 1 237 . 1 1 21 21 VAL HG22 H 1 0.92 0.0300 . 2 . . . . . 34 VAL HG2 . 15943 1 238 . 1 1 21 21 VAL HG23 H 1 0.92 0.0300 . 2 . . . . . 34 VAL HG2 . 15943 1 239 . 1 1 21 21 VAL C C 13 174.65 0.4000 . 1 . . . . . 34 VAL C . 15943 1 240 . 1 1 21 21 VAL CA C 13 58.51 0.4000 . 1 . . . . . 34 VAL CA . 15943 1 241 . 1 1 21 21 VAL CB C 13 35.49 0.4000 . 1 . . . . . 34 VAL CB . 15943 1 242 . 1 1 21 21 VAL CG1 C 13 22.05 0.4000 . 1 . . . . . 34 VAL CG1 . 15943 1 243 . 1 1 21 21 VAL CG2 C 13 19.68 0.4000 . 1 . . . . . 34 VAL CG2 . 15943 1 244 . 1 1 21 21 VAL N N 15 111.44 0.4000 . 1 . . . . . 34 VAL N . 15943 1 245 . 1 1 22 22 LEU H H 1 9.18 0.0300 . 1 . . . . . 35 LEU H . 15943 1 246 . 1 1 22 22 LEU HA H 1 4.58 0.0300 . 1 . . . . . 35 LEU HA . 15943 1 247 . 1 1 22 22 LEU HB2 H 1 1.80 0.0300 . 2 . . . . . 35 LEU HB2 . 15943 1 248 . 1 1 22 22 LEU HB3 H 1 0.98 0.0300 . 2 . . . . . 35 LEU HB3 . 15943 1 249 . 1 1 22 22 LEU HD11 H 1 0.63 0.0300 . 2 . . . . . 35 LEU HD1 . 15943 1 250 . 1 1 22 22 LEU HD12 H 1 0.63 0.0300 . 2 . . . . . 35 LEU HD1 . 15943 1 251 . 1 1 22 22 LEU HD13 H 1 0.63 0.0300 . 2 . . . . . 35 LEU HD1 . 15943 1 252 . 1 1 22 22 LEU HD21 H 1 -0.33 0.0300 . 2 . . . . . 35 LEU HD2 . 15943 1 253 . 1 1 22 22 LEU HD22 H 1 -0.33 0.0300 . 2 . . . . . 35 LEU HD2 . 15943 1 254 . 1 1 22 22 LEU HD23 H 1 -0.33 0.0300 . 2 . . . . . 35 LEU HD2 . 15943 1 255 . 1 1 22 22 LEU C C 13 174.14 0.4000 . 1 . . . . . 35 LEU C . 15943 1 256 . 1 1 22 22 LEU CA C 13 53.45 0.4000 . 1 . . . . . 35 LEU CA . 15943 1 257 . 1 1 22 22 LEU CB C 13 45.53 0.4000 . 1 . . . . . 35 LEU CB . 15943 1 258 . 1 1 22 22 LEU CD1 C 13 27.02 0.4000 . 1 . . . . . 35 LEU CD1 . 15943 1 259 . 1 1 22 22 LEU CD2 C 13 18.41 0.4000 . 1 . . . . . 35 LEU CD2 . 15943 1 260 . 1 1 22 22 LEU N N 15 124.62 0.4000 . 1 . . . . . 35 LEU N . 15943 1 261 . 1 1 23 23 LYS H H 1 8.95 0.0300 . 1 . . . . . 36 LYS H . 15943 1 262 . 1 1 23 23 LYS HA H 1 4.78 0.0300 . 1 . . . . . 36 LYS HA . 15943 1 263 . 1 1 23 23 LYS HB2 H 1 0.55 0.0300 . 2 . . . . . 36 LYS HB2 . 15943 1 264 . 1 1 23 23 LYS HB3 H 1 -0.07 0.0300 . 2 . . . . . 36 LYS HB3 . 15943 1 265 . 1 1 23 23 LYS HD2 H 1 1.32 0.0300 . 2 . . . . . 36 LYS HD2 . 15943 1 266 . 1 1 23 23 LYS HD3 H 1 1.27 0.0300 . 2 . . . . . 36 LYS HD3 . 15943 1 267 . 1 1 23 23 LYS HE2 H 1 2.79 0.0300 . 2 . . . . . 36 LYS HE2 . 15943 1 268 . 1 1 23 23 LYS HE3 H 1 2.71 0.0300 . 2 . . . . . 36 LYS HE3 . 15943 1 269 . 1 1 23 23 LYS HG2 H 1 0.79 0.0300 . 2 . . . . . 36 LYS HG2 . 15943 1 270 . 1 1 23 23 LYS HG3 H 1 0.79 0.0300 . 2 . . . . . 36 LYS HG3 . 15943 1 271 . 1 1 23 23 LYS C C 13 175.84 0.4000 . 1 . . . . . 36 LYS C . 15943 1 272 . 1 1 23 23 LYS CA C 13 53.26 0.4000 . 1 . . . . . 36 LYS CA . 15943 1 273 . 1 1 23 23 LYS CB C 13 34.22 0.4000 . 1 . . . . . 36 LYS CB . 15943 1 274 . 1 1 23 23 LYS CD C 13 29.50 0.4000 . 1 . . . . . 36 LYS CD . 15943 1 275 . 1 1 23 23 LYS CE C 13 42.59 0.4000 . 1 . . . . . 36 LYS CE . 15943 1 276 . 1 1 23 23 LYS CG C 13 25.43 0.4000 . 1 . . . . . 36 LYS CG . 15943 1 277 . 1 1 23 23 LYS N N 15 126.75 0.4000 . 1 . . . . . 36 LYS N . 15943 1 278 . 1 1 24 24 ALA H H 1 7.89 0.0300 . 1 . . . . . 37 ALA H . 15943 1 279 . 1 1 24 24 ALA HA H 1 4.05 0.0300 . 1 . . . . . 37 ALA HA . 15943 1 280 . 1 1 24 24 ALA HB1 H 1 1.47 0.0300 . 1 . . . . . 37 ALA HB . 15943 1 281 . 1 1 24 24 ALA HB2 H 1 1.47 0.0300 . 1 . . . . . 37 ALA HB . 15943 1 282 . 1 1 24 24 ALA HB3 H 1 1.47 0.0300 . 1 . . . . . 37 ALA HB . 15943 1 283 . 1 1 24 24 ALA C C 13 177.83 0.4000 . 1 . . . . . 37 ALA C . 15943 1 284 . 1 1 24 24 ALA CA C 13 50.49 0.4000 . 1 . . . . . 37 ALA CA . 15943 1 285 . 1 1 24 24 ALA CB C 13 19.66 0.4000 . 1 . . . . . 37 ALA CB . 15943 1 286 . 1 1 24 24 ALA N N 15 119.30 0.4000 . 1 . . . . . 37 ALA N . 15943 1 287 . 1 1 25 25 GLY H H 1 8.13 0.0300 . 1 . . . . . 38 GLY H . 15943 1 288 . 1 1 25 25 GLY HA2 H 1 3.84 0.0300 . 2 . . . . . 38 GLY HA2 . 15943 1 289 . 1 1 25 25 GLY HA3 H 1 3.82 0.0300 . 2 . . . . . 38 GLY HA3 . 15943 1 290 . 1 1 25 25 GLY C C 13 173.81 0.4000 . 1 . . . . . 38 GLY C . 15943 1 291 . 1 1 25 25 GLY CA C 13 47.50 0.4000 . 1 . . . . . 38 GLY CA . 15943 1 292 . 1 1 25 25 GLY N N 15 104.06 0.4000 . 1 . . . . . 38 GLY N . 15943 1 293 . 1 1 26 26 ASN H H 1 7.57 0.0300 . 1 . . . . . 39 ASN H . 15943 1 294 . 1 1 26 26 ASN HA H 1 4.74 0.0300 . 1 . . . . . 39 ASN HA . 15943 1 295 . 1 1 26 26 ASN HB2 H 1 3.26 0.0300 . 2 . . . . . 39 ASN HB2 . 15943 1 296 . 1 1 26 26 ASN HB3 H 1 2.74 0.0300 . 2 . . . . . 39 ASN HB3 . 15943 1 297 . 1 1 26 26 ASN C C 13 176.81 0.4000 . 1 . . . . . 39 ASN C . 15943 1 298 . 1 1 26 26 ASN CA C 13 52.21 0.4000 . 1 . . . . . 39 ASN CA . 15943 1 299 . 1 1 26 26 ASN CB C 13 37.42 0.4000 . 1 . . . . . 39 ASN CB . 15943 1 300 . 1 1 26 26 ASN N N 15 114.66 0.4000 . 1 . . . . . 39 ASN N . 15943 1 301 . 1 1 27 27 GLY H H 1 8.53 0.0300 . 1 . . . . . 40 GLY H . 15943 1 302 . 1 1 27 27 GLY HA2 H 1 4.40 0.0300 . 2 . . . . . 40 GLY HA2 . 15943 1 303 . 1 1 27 27 GLY HA3 H 1 3.50 0.0300 . 2 . . . . . 40 GLY HA3 . 15943 1 304 . 1 1 27 27 GLY C C 13 173.61 0.4000 . 1 . . . . . 40 GLY C . 15943 1 305 . 1 1 27 27 GLY CA C 13 45.51 0.4000 . 1 . . . . . 40 GLY CA . 15943 1 306 . 1 1 27 27 GLY N N 15 108.55 0.4000 . 1 . . . . . 40 GLY N . 15943 1 307 . 1 1 28 28 GLU H H 1 7.36 0.0300 . 1 . . . . . 41 GLU H . 15943 1 308 . 1 1 28 28 GLU HA H 1 4.16 0.0300 . 1 . . . . . 41 GLU HA . 15943 1 309 . 1 1 28 28 GLU HB2 H 1 1.87 0.0300 . 2 . . . . . 41 GLU HB2 . 15943 1 310 . 1 1 28 28 GLU HB3 H 1 1.87 0.0300 . 2 . . . . . 41 GLU HB3 . 15943 1 311 . 1 1 28 28 GLU HG2 H 1 2.17 0.0300 . 2 . . . . . 41 GLU HG2 . 15943 1 312 . 1 1 28 28 GLU HG3 H 1 2.04 0.0300 . 2 . . . . . 41 GLU HG3 . 15943 1 313 . 1 1 28 28 GLU C C 13 176.35 0.4000 . 1 . . . . . 41 GLU C . 15943 1 314 . 1 1 28 28 GLU CA C 13 56.02 0.4000 . 1 . . . . . 41 GLU CA . 15943 1 315 . 1 1 28 28 GLU CB C 13 30.49 0.4000 . 1 . . . . . 41 GLU CB . 15943 1 316 . 1 1 28 28 GLU CG C 13 36.03 0.4000 . 1 . . . . . 41 GLU CG . 15943 1 317 . 1 1 28 28 GLU N N 15 121.42 0.4000 . 1 . . . . . 41 GLU N . 15943 1 318 . 1 1 29 29 THR H H 1 8.85 0.0300 . 1 . . . . . 42 THR H . 15943 1 319 . 1 1 29 29 THR HA H 1 4.06 0.0300 . 1 . . . . . 42 THR HA . 15943 1 320 . 1 1 29 29 THR HB H 1 3.98 0.0300 . 1 . . . . . 42 THR HB . 15943 1 321 . 1 1 29 29 THR HG21 H 1 1.05 0.0300 . 1 . . . . . 42 THR HG2 . 15943 1 322 . 1 1 29 29 THR HG22 H 1 1.05 0.0300 . 1 . . . . . 42 THR HG2 . 15943 1 323 . 1 1 29 29 THR HG23 H 1 1.05 0.0300 . 1 . . . . . 42 THR HG2 . 15943 1 324 . 1 1 29 29 THR C C 13 174.62 0.4000 . 1 . . . . . 42 THR C . 15943 1 325 . 1 1 29 29 THR CA C 13 64.83 0.4000 . 1 . . . . . 42 THR CA . 15943 1 326 . 1 1 29 29 THR CB C 13 68.92 0.4000 . 1 . . . . . 42 THR CB . 15943 1 327 . 1 1 29 29 THR CG2 C 13 22.33 0.4000 . 1 . . . . . 42 THR CG2 . 15943 1 328 . 1 1 29 29 THR N N 15 123.21 0.4000 . 1 . . . . . 42 THR N . 15943 1 329 . 1 1 30 30 ILE H H 1 8.98 0.0300 . 1 . . . . . 43 ILE H . 15943 1 330 . 1 1 30 30 ILE HA H 1 4.92 0.0300 . 1 . . . . . 43 ILE HA . 15943 1 331 . 1 1 30 30 ILE HB H 1 2.04 0.0300 . 1 . . . . . 43 ILE HB . 15943 1 332 . 1 1 30 30 ILE HD11 H 1 0.63 0.0300 . 1 . . . . . 43 ILE HD1 . 15943 1 333 . 1 1 30 30 ILE HD12 H 1 0.63 0.0300 . 1 . . . . . 43 ILE HD1 . 15943 1 334 . 1 1 30 30 ILE HD13 H 1 0.63 0.0300 . 1 . . . . . 43 ILE HD1 . 15943 1 335 . 1 1 30 30 ILE HG21 H 1 0.89 0.0300 . 1 . . . . . 43 ILE HG2 . 15943 1 336 . 1 1 30 30 ILE HG22 H 1 0.89 0.0300 . 1 . . . . . 43 ILE HG2 . 15943 1 337 . 1 1 30 30 ILE HG23 H 1 0.89 0.0300 . 1 . . . . . 43 ILE HG2 . 15943 1 338 . 1 1 30 30 ILE C C 13 175.15 0.4000 . 1 . . . . . 43 ILE C . 15943 1 339 . 1 1 30 30 ILE CA C 13 60.64 0.4000 . 1 . . . . . 43 ILE CA . 15943 1 340 . 1 1 30 30 ILE CB C 13 40.16 0.4000 . 1 . . . . . 43 ILE CB . 15943 1 341 . 1 1 30 30 ILE CD1 C 13 13.57 0.4000 . 1 . . . . . 43 ILE CD1 . 15943 1 342 . 1 1 30 30 ILE CG2 C 13 17.76 0.4000 . 1 . . . . . 43 ILE CG2 . 15943 1 343 . 1 1 30 30 ILE N N 15 119.63 0.4000 . 1 . . . . . 43 ILE N . 15943 1 344 . 1 1 31 31 LEU H H 1 7.60 0.0300 . 1 . . . . . 44 LEU H . 15943 1 345 . 1 1 31 31 LEU HA H 1 4.52 0.0300 . 1 . . . . . 44 LEU HA . 15943 1 346 . 1 1 31 31 LEU HB2 H 1 1.81 0.0300 . 2 . . . . . 44 LEU HB2 . 15943 1 347 . 1 1 31 31 LEU HB3 H 1 1.51 0.0300 . 2 . . . . . 44 LEU HB3 . 15943 1 348 . 1 1 31 31 LEU HD11 H 1 0.93 0.0300 . 2 . . . . . 44 LEU HD1 . 15943 1 349 . 1 1 31 31 LEU HD12 H 1 0.93 0.0300 . 2 . . . . . 44 LEU HD1 . 15943 1 350 . 1 1 31 31 LEU HD13 H 1 0.93 0.0300 . 2 . . . . . 44 LEU HD1 . 15943 1 351 . 1 1 31 31 LEU HD21 H 1 0.91 0.0300 . 2 . . . . . 44 LEU HD2 . 15943 1 352 . 1 1 31 31 LEU HD22 H 1 0.91 0.0300 . 2 . . . . . 44 LEU HD2 . 15943 1 353 . 1 1 31 31 LEU HD23 H 1 0.91 0.0300 . 2 . . . . . 44 LEU HD2 . 15943 1 354 . 1 1 31 31 LEU HG H 1 1.49 0.0300 . 1 . . . . . 44 LEU HG . 15943 1 355 . 1 1 31 31 LEU C C 13 174.89 0.4000 . 1 . . . . . 44 LEU C . 15943 1 356 . 1 1 31 31 LEU CA C 13 55.67 0.4000 . 1 . . . . . 44 LEU CA . 15943 1 357 . 1 1 31 31 LEU CB C 13 48.06 0.4000 . 1 . . . . . 44 LEU CB . 15943 1 358 . 1 1 31 31 LEU CD1 C 13 27.10 0.4000 . 1 . . . . . 44 LEU CD1 . 15943 1 359 . 1 1 31 31 LEU CD2 C 13 24.31 0.4000 . 1 . . . . . 44 LEU CD2 . 15943 1 360 . 1 1 31 31 LEU CG C 13 28.16 0.4000 . 1 . . . . . 44 LEU CG . 15943 1 361 . 1 1 31 31 LEU N N 15 121.65 0.4000 . 1 . . . . . 44 LEU N . 15943 1 362 . 1 1 32 32 THR H H 1 8.73 0.0300 . 1 . . . . . 45 THR H . 15943 1 363 . 1 1 32 32 THR HA H 1 4.82 0.0300 . 1 . . . . . 45 THR HA . 15943 1 364 . 1 1 32 32 THR HB H 1 3.84 0.0300 . 1 . . . . . 45 THR HB . 15943 1 365 . 1 1 32 32 THR HG21 H 1 1.28 0.0300 . 1 . . . . . 45 THR HG2 . 15943 1 366 . 1 1 32 32 THR HG22 H 1 1.28 0.0300 . 1 . . . . . 45 THR HG2 . 15943 1 367 . 1 1 32 32 THR HG23 H 1 1.28 0.0300 . 1 . . . . . 45 THR HG2 . 15943 1 368 . 1 1 32 32 THR C C 13 174.27 0.4000 . 1 . . . . . 45 THR C . 15943 1 369 . 1 1 32 32 THR CA C 13 62.22 0.4000 . 1 . . . . . 45 THR CA . 15943 1 370 . 1 1 32 32 THR CB C 13 70.58 0.4000 . 1 . . . . . 45 THR CB . 15943 1 371 . 1 1 32 32 THR CG2 C 13 20.74 0.4000 . 1 . . . . . 45 THR CG2 . 15943 1 372 . 1 1 32 32 THR N N 15 122.23 0.4000 . 1 . . . . . 45 THR N . 15943 1 373 . 1 1 33 33 SER H H 1 8.71 0.0300 . 1 . . . . . 46 SER H . 15943 1 374 . 1 1 33 33 SER HA H 1 4.55 0.0300 . 1 . . . . . 46 SER HA . 15943 1 375 . 1 1 33 33 SER C C 13 174.58 0.4000 . 1 . . . . . 46 SER C . 15943 1 376 . 1 1 33 33 SER CA C 13 58.83 0.4000 . 1 . . . . . 46 SER CA . 15943 1 377 . 1 1 33 33 SER N N 15 124.29 0.4000 . 1 . . . . . 46 SER N . 15943 1 378 . 1 1 34 34 GLU H H 1 8.00 0.0300 . 1 . . . . . 47 GLU H . 15943 1 379 . 1 1 34 34 GLU HA H 1 4.26 0.0300 . 1 . . . . . 47 GLU HA . 15943 1 380 . 1 1 34 34 GLU HB2 H 1 2.00 0.0300 . 2 . . . . . 47 GLU HB2 . 15943 1 381 . 1 1 34 34 GLU HB3 H 1 1.62 0.0300 . 2 . . . . . 47 GLU HB3 . 15943 1 382 . 1 1 34 34 GLU HG2 H 1 2.12 0.0300 . 2 . . . . . 47 GLU HG2 . 15943 1 383 . 1 1 34 34 GLU HG3 H 1 1.95 0.0300 . 2 . . . . . 47 GLU HG3 . 15943 1 384 . 1 1 34 34 GLU C C 13 174.82 0.4000 . 1 . . . . . 47 GLU C . 15943 1 385 . 1 1 34 34 GLU CA C 13 55.16 0.4000 . 1 . . . . . 47 GLU CA . 15943 1 386 . 1 1 34 34 GLU CB C 13 30.21 0.4000 . 1 . . . . . 47 GLU CB . 15943 1 387 . 1 1 34 34 GLU CG C 13 36.28 0.4000 . 1 . . . . . 47 GLU CG . 15943 1 388 . 1 1 34 34 GLU N N 15 117.75 0.4000 . 1 . . . . . 47 GLU N . 15943 1 389 . 1 1 35 35 LEU H H 1 8.01 0.0300 . 1 . . . . . 48 LEU H . 15943 1 390 . 1 1 35 35 LEU HA H 1 4.68 0.0300 . 1 . . . . . 48 LEU HA . 15943 1 391 . 1 1 35 35 LEU HB2 H 1 1.59 0.0300 . 2 . . . . . 48 LEU HB2 . 15943 1 392 . 1 1 35 35 LEU HB3 H 1 1.28 0.0300 . 2 . . . . . 48 LEU HB3 . 15943 1 393 . 1 1 35 35 LEU HD11 H 1 0.82 0.0300 . 2 . . . . . 48 LEU HD1 . 15943 1 394 . 1 1 35 35 LEU HD12 H 1 0.82 0.0300 . 2 . . . . . 48 LEU HD1 . 15943 1 395 . 1 1 35 35 LEU HD13 H 1 0.82 0.0300 . 2 . . . . . 48 LEU HD1 . 15943 1 396 . 1 1 35 35 LEU HD21 H 1 0.73 0.0300 . 2 . . . . . 48 LEU HD2 . 15943 1 397 . 1 1 35 35 LEU HD22 H 1 0.73 0.0300 . 2 . . . . . 48 LEU HD2 . 15943 1 398 . 1 1 35 35 LEU HD23 H 1 0.73 0.0300 . 2 . . . . . 48 LEU HD2 . 15943 1 399 . 1 1 35 35 LEU HG H 1 1.51 0.0300 . 1 . . . . . 48 LEU HG . 15943 1 400 . 1 1 35 35 LEU C C 13 177.57 0.4000 . 1 . . . . . 48 LEU C . 15943 1 401 . 1 1 35 35 LEU CA C 13 55.05 0.4000 . 1 . . . . . 48 LEU CA . 15943 1 402 . 1 1 35 35 LEU CB C 13 43.12 0.4000 . 1 . . . . . 48 LEU CB . 15943 1 403 . 1 1 35 35 LEU CD1 C 13 25.23 0.4000 . 1 . . . . . 48 LEU CD1 . 15943 1 404 . 1 1 35 35 LEU CD2 C 13 23.69 0.4000 . 1 . . . . . 48 LEU CD2 . 15943 1 405 . 1 1 35 35 LEU CG C 13 27.07 0.4000 . 1 . . . . . 48 LEU CG . 15943 1 406 . 1 1 35 35 LEU N N 15 118.14 0.4000 . 1 . . . . . 48 LEU N . 15943 1 407 . 1 1 36 36 TYR H H 1 9.56 0.0300 . 1 . . . . . 49 TYR H . 15943 1 408 . 1 1 36 36 TYR HA H 1 4.98 0.0300 . 1 . . . . . 49 TYR HA . 15943 1 409 . 1 1 36 36 TYR HB2 H 1 3.36 0.0300 . 2 . . . . . 49 TYR HB2 . 15943 1 410 . 1 1 36 36 TYR HB3 H 1 2.81 0.0300 . 2 . . . . . 49 TYR HB3 . 15943 1 411 . 1 1 36 36 TYR HD1 H 1 7.24 0.0300 . 1 . . . . . 49 TYR HD1 . 15943 1 412 . 1 1 36 36 TYR HD2 H 1 7.24 0.0300 . 1 . . . . . 49 TYR HD2 . 15943 1 413 . 1 1 36 36 TYR HE1 H 1 6.91 0.0300 . 1 . . . . . 49 TYR HE1 . 15943 1 414 . 1 1 36 36 TYR HE2 H 1 6.91 0.0300 . 1 . . . . . 49 TYR HE2 . 15943 1 415 . 1 1 36 36 TYR C C 13 177.21 0.4000 . 1 . . . . . 49 TYR C . 15943 1 416 . 1 1 36 36 TYR CA C 13 57.10 0.4000 . 1 . . . . . 49 TYR CA . 15943 1 417 . 1 1 36 36 TYR CB C 13 42.66 0.4000 . 1 . . . . . 49 TYR CB . 15943 1 418 . 1 1 36 36 TYR CD1 C 13 133.76 0.4000 . 1 . . . . . 49 TYR CD1 . 15943 1 419 . 1 1 36 36 TYR CE1 C 13 118.92 0.4000 . 1 . . . . . 49 TYR CE1 . 15943 1 420 . 1 1 36 36 TYR N N 15 120.37 0.4000 . 1 . . . . . 49 TYR N . 15943 1 421 . 1 1 37 37 THR H H 1 9.18 0.0300 . 1 . . . . . 50 THR H . 15943 1 422 . 1 1 37 37 THR HA H 1 4.69 0.0300 . 1 . . . . . 50 THR HA . 15943 1 423 . 1 1 37 37 THR HB H 1 4.64 0.0300 . 1 . . . . . 50 THR HB . 15943 1 424 . 1 1 37 37 THR HG21 H 1 1.39 0.0300 . 1 . . . . . 50 THR HG2 . 15943 1 425 . 1 1 37 37 THR HG22 H 1 1.39 0.0300 . 1 . . . . . 50 THR HG2 . 15943 1 426 . 1 1 37 37 THR HG23 H 1 1.39 0.0300 . 1 . . . . . 50 THR HG2 . 15943 1 427 . 1 1 37 37 THR C C 13 174.45 0.4000 . 1 . . . . . 50 THR C . 15943 1 428 . 1 1 37 37 THR CA C 13 62.40 0.4000 . 1 . . . . . 50 THR CA . 15943 1 429 . 1 1 37 37 THR CB C 13 69.59 0.4000 . 1 . . . . . 50 THR CB . 15943 1 430 . 1 1 37 37 THR CG2 C 13 22.08 0.4000 . 1 . . . . . 50 THR CG2 . 15943 1 431 . 1 1 37 37 THR N N 15 110.62 0.4000 . 1 . . . . . 50 THR N . 15943 1 432 . 1 1 38 38 SER H H 1 7.45 0.0300 . 1 . . . . . 51 SER H . 15943 1 433 . 1 1 38 38 SER HA H 1 4.69 0.0300 . 1 . . . . . 51 SER HA . 15943 1 434 . 1 1 38 38 SER HB2 H 1 4.05 0.0300 . 2 . . . . . 51 SER HB2 . 15943 1 435 . 1 1 38 38 SER HB3 H 1 3.94 0.0300 . 2 . . . . . 51 SER HB3 . 15943 1 436 . 1 1 38 38 SER C C 13 173.03 0.4000 . 1 . . . . . 51 SER C . 15943 1 437 . 1 1 38 38 SER CA C 13 56.29 0.4000 . 1 . . . . . 51 SER CA . 15943 1 438 . 1 1 38 38 SER CB C 13 66.50 0.4000 . 1 . . . . . 51 SER CB . 15943 1 439 . 1 1 38 38 SER N N 15 111.61 0.4000 . 1 . . . . . 51 SER N . 15943 1 440 . 1 1 39 39 LYS H H 1 8.29 0.0300 . 1 . . . . . 52 LYS H . 15943 1 441 . 1 1 39 39 LYS HA H 1 2.87 0.0300 . 1 . . . . . 52 LYS HA . 15943 1 442 . 1 1 39 39 LYS HB2 H 1 1.47 0.0300 . 2 . . . . . 52 LYS HB2 . 15943 1 443 . 1 1 39 39 LYS HB3 H 1 1.01 0.0300 . 2 . . . . . 52 LYS HB3 . 15943 1 444 . 1 1 39 39 LYS HD2 H 1 1.54 0.0300 . 2 . . . . . 52 LYS HD2 . 15943 1 445 . 1 1 39 39 LYS HD3 H 1 1.54 0.0300 . 2 . . . . . 52 LYS HD3 . 15943 1 446 . 1 1 39 39 LYS HE2 H 1 2.77 0.0300 . 2 . . . . . 52 LYS HE2 . 15943 1 447 . 1 1 39 39 LYS HE3 H 1 2.77 0.0300 . 2 . . . . . 52 LYS HE3 . 15943 1 448 . 1 1 39 39 LYS HG2 H 1 1.19 0.0300 . 2 . . . . . 52 LYS HG2 . 15943 1 449 . 1 1 39 39 LYS HG3 H 1 0.86 0.0300 . 2 . . . . . 52 LYS HG3 . 15943 1 450 . 1 1 39 39 LYS C C 13 178.05 0.4000 . 1 . . . . . 52 LYS C . 15943 1 451 . 1 1 39 39 LYS CA C 13 59.83 0.4000 . 1 . . . . . 52 LYS CA . 15943 1 452 . 1 1 39 39 LYS CB C 13 32.28 0.4000 . 1 . . . . . 52 LYS CB . 15943 1 453 . 1 1 39 39 LYS CD C 13 29.81 0.4000 . 1 . . . . . 52 LYS CD . 15943 1 454 . 1 1 39 39 LYS CE C 13 41.72 0.4000 . 1 . . . . . 52 LYS CE . 15943 1 455 . 1 1 39 39 LYS CG C 13 25.78 0.4000 . 1 . . . . . 52 LYS CG . 15943 1 456 . 1 1 39 39 LYS N N 15 125.12 0.4000 . 1 . . . . . 52 LYS N . 15943 1 457 . 1 1 40 40 THR H H 1 7.88 0.0300 . 1 . . . . . 53 THR H . 15943 1 458 . 1 1 40 40 THR HA H 1 3.97 0.0300 . 1 . . . . . 53 THR HA . 15943 1 459 . 1 1 40 40 THR HB H 1 3.98 0.0300 . 1 . . . . . 53 THR HB . 15943 1 460 . 1 1 40 40 THR HG21 H 1 1.18 0.0300 . 1 . . . . . 53 THR HG2 . 15943 1 461 . 1 1 40 40 THR HG22 H 1 1.18 0.0300 . 1 . . . . . 53 THR HG2 . 15943 1 462 . 1 1 40 40 THR HG23 H 1 1.18 0.0300 . 1 . . . . . 53 THR HG2 . 15943 1 463 . 1 1 40 40 THR C C 13 177.32 0.4000 . 1 . . . . . 53 THR C . 15943 1 464 . 1 1 40 40 THR CA C 13 65.33 0.4000 . 1 . . . . . 53 THR CA . 15943 1 465 . 1 1 40 40 THR CB C 13 68.40 0.4000 . 1 . . . . . 53 THR CB . 15943 1 466 . 1 1 40 40 THR CG2 C 13 21.87 0.4000 . 1 . . . . . 53 THR CG2 . 15943 1 467 . 1 1 40 40 THR N N 15 111.65 0.4000 . 1 . . . . . 53 THR N . 15943 1 468 . 1 1 41 41 SER H H 1 7.77 0.0300 . 1 . . . . . 54 SER H . 15943 1 469 . 1 1 41 41 SER HB2 H 1 4.04 0.0300 . 2 . . . . . 54 SER HB2 . 15943 1 470 . 1 1 41 41 SER HB3 H 1 4.04 0.0300 . 2 . . . . . 54 SER HB3 . 15943 1 471 . 1 1 41 41 SER C C 13 176.33 0.4000 . 1 . . . . . 54 SER C . 15943 1 472 . 1 1 41 41 SER CB C 13 62.36 0.4000 . 1 . . . . . 54 SER CB . 15943 1 473 . 1 1 41 41 SER N N 15 117.74 0.4000 . 1 . . . . . 54 SER N . 15943 1 474 . 1 1 42 42 ALA H H 1 7.30 0.0300 . 1 . . . . . 55 ALA H . 15943 1 475 . 1 1 42 42 ALA HA H 1 2.60 0.0300 . 1 . . . . . 55 ALA HA . 15943 1 476 . 1 1 42 42 ALA HB1 H 1 1.22 0.0300 . 1 . . . . . 55 ALA HB . 15943 1 477 . 1 1 42 42 ALA HB2 H 1 1.22 0.0300 . 1 . . . . . 55 ALA HB . 15943 1 478 . 1 1 42 42 ALA HB3 H 1 1.22 0.0300 . 1 . . . . . 55 ALA HB . 15943 1 479 . 1 1 42 42 ALA C C 13 178.99 0.4000 . 1 . . . . . 55 ALA C . 15943 1 480 . 1 1 42 42 ALA CA C 13 54.53 0.4000 . 1 . . . . . 55 ALA CA . 15943 1 481 . 1 1 42 42 ALA CB C 13 18.32 0.4000 . 1 . . . . . 55 ALA CB . 15943 1 482 . 1 1 42 42 ALA N N 15 126.18 0.4000 . 1 . . . . . 55 ALA N . 15943 1 483 . 1 1 43 43 GLU H H 1 8.21 0.0300 . 1 . . . . . 56 GLU H . 15943 1 484 . 1 1 43 43 GLU HA H 1 3.52 0.0300 . 1 . . . . . 56 GLU HA . 15943 1 485 . 1 1 43 43 GLU HB2 H 1 2.13 0.0300 . 2 . . . . . 56 GLU HB2 . 15943 1 486 . 1 1 43 43 GLU HB3 H 1 1.82 0.0300 . 2 . . . . . 56 GLU HB3 . 15943 1 487 . 1 1 43 43 GLU HG2 H 1 2.33 0.0300 . 2 . . . . . 56 GLU HG2 . 15943 1 488 . 1 1 43 43 GLU HG3 H 1 1.87 0.0300 . 2 . . . . . 56 GLU HG3 . 15943 1 489 . 1 1 43 43 GLU C C 13 180.16 0.4000 . 1 . . . . . 56 GLU C . 15943 1 490 . 1 1 43 43 GLU CA C 13 60.06 0.4000 . 1 . . . . . 56 GLU CA . 15943 1 491 . 1 1 43 43 GLU CB C 13 29.26 0.4000 . 1 . . . . . 56 GLU CB . 15943 1 492 . 1 1 43 43 GLU CG C 13 37.75 0.4000 . 1 . . . . . 56 GLU CG . 15943 1 493 . 1 1 43 43 GLU N N 15 117.42 0.4000 . 1 . . . . . 56 GLU N . 15943 1 494 . 1 1 44 44 LYS H H 1 7.81 0.0300 . 1 . . . . . 57 LYS H . 15943 1 495 . 1 1 44 44 LYS HA H 1 4.01 0.0300 . 1 . . . . . 57 LYS HA . 15943 1 496 . 1 1 44 44 LYS HB2 H 1 1.89 0.0300 . 2 . . . . . 57 LYS HB2 . 15943 1 497 . 1 1 44 44 LYS HB3 H 1 1.89 0.0300 . 2 . . . . . 57 LYS HB3 . 15943 1 498 . 1 1 44 44 LYS HD2 H 1 1.61 0.0300 . 2 . . . . . 57 LYS HD2 . 15943 1 499 . 1 1 44 44 LYS HD3 H 1 1.61 0.0300 . 2 . . . . . 57 LYS HD3 . 15943 1 500 . 1 1 44 44 LYS HE2 H 1 2.90 0.0300 . 2 . . . . . 57 LYS HE2 . 15943 1 501 . 1 1 44 44 LYS HE3 H 1 2.90 0.0300 . 2 . . . . . 57 LYS HE3 . 15943 1 502 . 1 1 44 44 LYS HG2 H 1 1.58 0.0300 . 2 . . . . . 57 LYS HG2 . 15943 1 503 . 1 1 44 44 LYS HG3 H 1 1.41 0.0300 . 2 . . . . . 57 LYS HG3 . 15943 1 504 . 1 1 44 44 LYS C C 13 179.60 0.4000 . 1 . . . . . 57 LYS C . 15943 1 505 . 1 1 44 44 LYS CA C 13 59.16 0.4000 . 1 . . . . . 57 LYS CA . 15943 1 506 . 1 1 44 44 LYS CB C 13 31.66 0.4000 . 1 . . . . . 57 LYS CB . 15943 1 507 . 1 1 44 44 LYS CD C 13 29.10 0.4000 . 1 . . . . . 57 LYS CD . 15943 1 508 . 1 1 44 44 LYS CE C 13 42.14 0.4000 . 1 . . . . . 57 LYS CE . 15943 1 509 . 1 1 44 44 LYS CG C 13 25.49 0.4000 . 1 . . . . . 57 LYS CG . 15943 1 510 . 1 1 44 44 LYS N N 15 121.69 0.4000 . 1 . . . . . 57 LYS N . 15943 1 511 . 1 1 45 45 GLY H H 1 7.78 0.0300 . 1 . . . . . 58 GLY H . 15943 1 512 . 1 1 45 45 GLY HA2 H 1 4.05 0.0300 . 2 . . . . . 58 GLY HA2 . 15943 1 513 . 1 1 45 45 GLY HA3 H 1 3.94 0.0300 . 2 . . . . . 58 GLY HA3 . 15943 1 514 . 1 1 45 45 GLY C C 13 175.78 0.4000 . 1 . . . . . 58 GLY C . 15943 1 515 . 1 1 45 45 GLY CA C 13 47.54 0.4000 . 1 . . . . . 58 GLY CA . 15943 1 516 . 1 1 45 45 GLY N N 15 111.36 0.4000 . 1 . . . . . 58 GLY N . 15943 1 517 . 1 1 46 46 ILE H H 1 7.49 0.0300 . 1 . . . . . 59 ILE H . 15943 1 518 . 1 1 46 46 ILE HA H 1 2.37 0.0300 . 1 . . . . . 59 ILE HA . 15943 1 519 . 1 1 46 46 ILE HB H 1 1.30 0.0300 . 1 . . . . . 59 ILE HB . 15943 1 520 . 1 1 46 46 ILE HD11 H 1 -0.71 0.0300 . 1 . . . . . 59 ILE HD1 . 15943 1 521 . 1 1 46 46 ILE HD12 H 1 -0.71 0.0300 . 1 . . . . . 59 ILE HD1 . 15943 1 522 . 1 1 46 46 ILE HD13 H 1 -0.71 0.0300 . 1 . . . . . 59 ILE HD1 . 15943 1 523 . 1 1 46 46 ILE HG12 H 1 -0.86 0.0300 . 2 . . . . . 59 ILE HG12 . 15943 1 524 . 1 1 46 46 ILE HG13 H 1 -0.86 0.0300 . 2 . . . . . 59 ILE HG13 . 15943 1 525 . 1 1 46 46 ILE HG21 H 1 0.34 0.0300 . 1 . . . . . 59 ILE HG2 . 15943 1 526 . 1 1 46 46 ILE HG22 H 1 0.34 0.0300 . 1 . . . . . 59 ILE HG2 . 15943 1 527 . 1 1 46 46 ILE HG23 H 1 0.34 0.0300 . 1 . . . . . 59 ILE HG2 . 15943 1 528 . 1 1 46 46 ILE C C 13 177.89 0.4000 . 1 . . . . . 59 ILE C . 15943 1 529 . 1 1 46 46 ILE CA C 13 65.68 0.4000 . 1 . . . . . 59 ILE CA . 15943 1 530 . 1 1 46 46 ILE CB C 13 36.59 0.4000 . 1 . . . . . 59 ILE CB . 15943 1 531 . 1 1 46 46 ILE CD1 C 13 13.55 0.4000 . 1 . . . . . 59 ILE CD1 . 15943 1 532 . 1 1 46 46 ILE CG1 C 13 27.62 0.4000 . 1 . . . . . 59 ILE CG1 . 15943 1 533 . 1 1 46 46 ILE CG2 C 13 13.92 0.4000 . 1 . . . . . 59 ILE CG2 . 15943 1 534 . 1 1 46 46 ILE N N 15 124.36 0.4000 . 1 . . . . . 59 ILE N . 15943 1 535 . 1 1 47 47 ALA H H 1 7.30 0.0300 . 1 . . . . . 60 ALA H . 15943 1 536 . 1 1 47 47 ALA HA H 1 3.86 0.0300 . 1 . . . . . 60 ALA HA . 15943 1 537 . 1 1 47 47 ALA HB1 H 1 1.44 0.0300 . 1 . . . . . 60 ALA HB . 15943 1 538 . 1 1 47 47 ALA HB2 H 1 1.44 0.0300 . 1 . . . . . 60 ALA HB . 15943 1 539 . 1 1 47 47 ALA HB3 H 1 1.44 0.0300 . 1 . . . . . 60 ALA HB . 15943 1 540 . 1 1 47 47 ALA C C 13 180.51 0.4000 . 1 . . . . . 60 ALA C . 15943 1 541 . 1 1 47 47 ALA CA C 13 55.01 0.4000 . 1 . . . . . 60 ALA CA . 15943 1 542 . 1 1 47 47 ALA CB C 13 17.48 0.4000 . 1 . . . . . 60 ALA CB . 15943 1 543 . 1 1 47 47 ALA N N 15 120.76 0.4000 . 1 . . . . . 60 ALA N . 15943 1 544 . 1 1 48 48 SER H H 1 8.10 0.0300 . 1 . . . . . 61 SER H . 15943 1 545 . 1 1 48 48 SER HA H 1 4.36 0.0300 . 1 . . . . . 61 SER HA . 15943 1 546 . 1 1 48 48 SER HB2 H 1 4.06 0.0300 . 2 . . . . . 61 SER HB2 . 15943 1 547 . 1 1 48 48 SER HB3 H 1 4.14 0.0300 . 2 . . . . . 61 SER HB3 . 15943 1 548 . 1 1 48 48 SER C C 13 178.53 0.4000 . 1 . . . . . 61 SER C . 15943 1 549 . 1 1 48 48 SER CA C 13 61.54 0.4000 . 1 . . . . . 61 SER CA . 15943 1 550 . 1 1 48 48 SER CB C 13 63.22 0.4000 . 1 . . . . . 61 SER CB . 15943 1 551 . 1 1 48 48 SER N N 15 115.27 0.4000 . 1 . . . . . 61 SER N . 15943 1 552 . 1 1 49 49 VAL H H 1 8.40 0.0300 . 1 . . . . . 62 VAL H . 15943 1 553 . 1 1 49 49 VAL HA H 1 3.62 0.0300 . 1 . . . . . 62 VAL HA . 15943 1 554 . 1 1 49 49 VAL HB H 1 2.66 0.0300 . 1 . . . . . 62 VAL HB . 15943 1 555 . 1 1 49 49 VAL HG11 H 1 1.21 0.0300 . 2 . . . . . 62 VAL HG1 . 15943 1 556 . 1 1 49 49 VAL HG12 H 1 1.21 0.0300 . 2 . . . . . 62 VAL HG1 . 15943 1 557 . 1 1 49 49 VAL HG13 H 1 1.21 0.0300 . 2 . . . . . 62 VAL HG1 . 15943 1 558 . 1 1 49 49 VAL HG21 H 1 1.30 0.0300 . 2 . . . . . 62 VAL HG2 . 15943 1 559 . 1 1 49 49 VAL HG22 H 1 1.30 0.0300 . 2 . . . . . 62 VAL HG2 . 15943 1 560 . 1 1 49 49 VAL HG23 H 1 1.30 0.0300 . 2 . . . . . 62 VAL HG2 . 15943 1 561 . 1 1 49 49 VAL C C 13 179.24 0.4000 . 1 . . . . . 62 VAL C . 15943 1 562 . 1 1 49 49 VAL CA C 13 67.33 0.4000 . 1 . . . . . 62 VAL CA . 15943 1 563 . 1 1 49 49 VAL CB C 13 30.64 0.4000 . 1 . . . . . 62 VAL CB . 15943 1 564 . 1 1 49 49 VAL CG1 C 13 21.51 0.4000 . 1 . . . . . 62 VAL CG1 . 15943 1 565 . 1 1 49 49 VAL CG2 C 13 24.70 0.4000 . 1 . . . . . 62 VAL CG2 . 15943 1 566 . 1 1 49 49 VAL N N 15 125.97 0.4000 . 1 . . . . . 62 VAL N . 15943 1 567 . 1 1 50 50 ARG H H 1 8.27 0.0300 . 1 . . . . . 63 ARG H . 15943 1 568 . 1 1 50 50 ARG HA H 1 4.35 0.0300 . 1 . . . . . 63 ARG HA . 15943 1 569 . 1 1 50 50 ARG HB2 H 1 2.04 0.0300 . 2 . . . . . 63 ARG HB2 . 15943 1 570 . 1 1 50 50 ARG HB3 H 1 1.64 0.0300 . 2 . . . . . 63 ARG HB3 . 15943 1 571 . 1 1 50 50 ARG C C 13 178.23 0.4000 . 1 . . . . . 63 ARG C . 15943 1 572 . 1 1 50 50 ARG CA C 13 59.91 0.4000 . 1 . . . . . 63 ARG CA . 15943 1 573 . 1 1 50 50 ARG CB C 13 29.08 0.4000 . 1 . . . . . 63 ARG CB . 15943 1 574 . 1 1 50 50 ARG N N 15 122.38 0.4000 . 1 . . . . . 63 ARG N . 15943 1 575 . 1 1 51 51 SER H H 1 7.80 0.0300 . 1 . . . . . 64 SER H . 15943 1 576 . 1 1 51 51 SER HA H 1 4.23 0.0300 . 1 . . . . . 64 SER HA . 15943 1 577 . 1 1 51 51 SER HB2 H 1 3.89 0.0300 . 2 . . . . . 64 SER HB2 . 15943 1 578 . 1 1 51 51 SER HB3 H 1 3.89 0.0300 . 2 . . . . . 64 SER HB3 . 15943 1 579 . 1 1 51 51 SER C C 13 175.69 0.4000 . 1 . . . . . 64 SER C . 15943 1 580 . 1 1 51 51 SER CA C 13 60.76 0.4000 . 1 . . . . . 64 SER CA . 15943 1 581 . 1 1 51 51 SER CB C 13 63.70 0.4000 . 1 . . . . . 64 SER CB . 15943 1 582 . 1 1 51 51 SER N N 15 109.47 0.4000 . 1 . . . . . 64 SER N . 15943 1 583 . 1 1 52 52 ASN H H 1 7.89 0.0300 . 1 . . . . . 65 ASN H . 15943 1 584 . 1 1 52 52 ASN HA H 1 4.83 0.0300 . 1 . . . . . 65 ASN HA . 15943 1 585 . 1 1 52 52 ASN HB2 H 1 2.58 0.0300 . 2 . . . . . 65 ASN HB2 . 15943 1 586 . 1 1 52 52 ASN HB3 H 1 2.51 0.0300 . 2 . . . . . 65 ASN HB3 . 15943 1 587 . 1 1 52 52 ASN C C 13 174.68 0.4000 . 1 . . . . . 65 ASN C . 15943 1 588 . 1 1 52 52 ASN CA C 13 56.26 0.4000 . 1 . . . . . 65 ASN CA . 15943 1 589 . 1 1 52 52 ASN CB C 13 41.40 0.4000 . 1 . . . . . 65 ASN CB . 15943 1 590 . 1 1 52 52 ASN N N 15 116.54 0.4000 . 1 . . . . . 65 ASN N . 15943 1 591 . 1 1 53 53 SER H H 1 8.85 0.0300 . 1 . . . . . 66 SER H . 15943 1 592 . 1 1 53 53 SER N N 15 114.87 0.4000 . 1 . . . . . 66 SER N . 15943 1 593 . 1 1 54 54 PRO HA H 1 4.60 0.0300 . 1 . . . . . 67 PRO HA . 15943 1 594 . 1 1 54 54 PRO HB2 H 1 2.51 0.0300 . 2 . . . . . 67 PRO HB2 . 15943 1 595 . 1 1 54 54 PRO HB3 H 1 1.74 0.0300 . 2 . . . . . 67 PRO HB3 . 15943 1 596 . 1 1 54 54 PRO HD2 H 1 4.10 0.0300 . 2 . . . . . 67 PRO HD2 . 15943 1 597 . 1 1 54 54 PRO HD3 H 1 3.07 0.0300 . 2 . . . . . 67 PRO HD3 . 15943 1 598 . 1 1 54 54 PRO HG2 H 1 1.96 0.0300 . 2 . . . . . 67 PRO HG2 . 15943 1 599 . 1 1 54 54 PRO HG3 H 1 1.86 0.0300 . 2 . . . . . 67 PRO HG3 . 15943 1 600 . 1 1 54 54 PRO C C 13 177.06 0.4000 . 1 . . . . . 67 PRO C . 15943 1 601 . 1 1 54 54 PRO CA C 13 65.12 0.4000 . 1 . . . . . 67 PRO CA . 15943 1 602 . 1 1 54 54 PRO CB C 13 32.52 0.4000 . 1 . . . . . 67 PRO CB . 15943 1 603 . 1 1 54 54 PRO CD C 13 51.61 0.4000 . 1 . . . . . 67 PRO CD . 15943 1 604 . 1 1 54 54 PRO CG C 13 28.09 0.4000 . 1 . . . . . 67 PRO CG . 15943 1 605 . 1 1 55 55 GLN H H 1 7.65 0.0300 . 1 . . . . . 68 GLN H . 15943 1 606 . 1 1 55 55 GLN HA H 1 4.46 0.0300 . 1 . . . . . 68 GLN HA . 15943 1 607 . 1 1 55 55 GLN HB2 H 1 2.12 0.0300 . 2 . . . . . 68 GLN HB2 . 15943 1 608 . 1 1 55 55 GLN HB3 H 1 2.32 0.0300 . 2 . . . . . 68 GLN HB3 . 15943 1 609 . 1 1 55 55 GLN HE21 H 1 6.84 0.0300 . 2 . . . . . 68 GLN HE21 . 15943 1 610 . 1 1 55 55 GLN HE22 H 1 7.42 0.0300 . 2 . . . . . 68 GLN HE22 . 15943 1 611 . 1 1 55 55 GLN HG2 H 1 2.32 0.0300 . 2 . . . . . 68 GLN HG2 . 15943 1 612 . 1 1 55 55 GLN HG3 H 1 2.32 0.0300 . 2 . . . . . 68 GLN HG3 . 15943 1 613 . 1 1 55 55 GLN C C 13 175.54 0.4000 . 1 . . . . . 68 GLN C . 15943 1 614 . 1 1 55 55 GLN CA C 13 54.80 0.4000 . 1 . . . . . 68 GLN CA . 15943 1 615 . 1 1 55 55 GLN CB C 13 29.75 0.4000 . 1 . . . . . 68 GLN CB . 15943 1 616 . 1 1 55 55 GLN CG C 13 34.07 0.4000 . 1 . . . . . 68 GLN CG . 15943 1 617 . 1 1 55 55 GLN N N 15 114.99 0.4000 . 1 . . . . . 68 GLN N . 15943 1 618 . 1 1 55 55 GLN NE2 N 15 110.69 0.4000 . 1 . . . . . 68 GLN NE2 . 15943 1 619 . 1 1 56 56 GLU H H 1 8.83 0.0300 . 1 . . . . . 69 GLU H . 15943 1 620 . 1 1 56 56 GLU HA H 1 3.97 0.0300 . 1 . . . . . 69 GLU HA . 15943 1 621 . 1 1 56 56 GLU HB2 H 1 1.99 0.0300 . 2 . . . . . 69 GLU HB2 . 15943 1 622 . 1 1 56 56 GLU HB3 H 1 1.99 0.0300 . 2 . . . . . 69 GLU HB3 . 15943 1 623 . 1 1 56 56 GLU HG2 H 1 2.29 0.0300 . 2 . . . . . 69 GLU HG2 . 15943 1 624 . 1 1 56 56 GLU HG3 H 1 2.24 0.0300 . 2 . . . . . 69 GLU HG3 . 15943 1 625 . 1 1 56 56 GLU C C 13 178.19 0.4000 . 1 . . . . . 69 GLU C . 15943 1 626 . 1 1 56 56 GLU CA C 13 59.85 0.4000 . 1 . . . . . 69 GLU CA . 15943 1 627 . 1 1 56 56 GLU CB C 13 29.30 0.4000 . 1 . . . . . 69 GLU CB . 15943 1 628 . 1 1 56 56 GLU CG C 13 35.65 0.4000 . 1 . . . . . 69 GLU CG . 15943 1 629 . 1 1 56 56 GLU N N 15 126.13 0.4000 . 1 . . . . . 69 GLU N . 15943 1 630 . 1 1 57 57 GLU H H 1 9.54 0.0300 . 1 . . . . . 70 GLU H . 15943 1 631 . 1 1 57 57 GLU HA H 1 4.33 0.0300 . 1 . . . . . 70 GLU HA . 15943 1 632 . 1 1 57 57 GLU HB2 H 1 2.13 0.0300 . 2 . . . . . 70 GLU HB2 . 15943 1 633 . 1 1 57 57 GLU HB3 H 1 2.13 0.0300 . 2 . . . . . 70 GLU HB3 . 15943 1 634 . 1 1 57 57 GLU HG2 H 1 2.34 0.0300 . 2 . . . . . 70 GLU HG2 . 15943 1 635 . 1 1 57 57 GLU HG3 H 1 2.34 0.0300 . 2 . . . . . 70 GLU HG3 . 15943 1 636 . 1 1 57 57 GLU C C 13 177.32 0.4000 . 1 . . . . . 70 GLU C . 15943 1 637 . 1 1 57 57 GLU CA C 13 58.35 0.4000 . 1 . . . . . 70 GLU CA . 15943 1 638 . 1 1 57 57 GLU CB C 13 29.06 0.4000 . 1 . . . . . 70 GLU CB . 15943 1 639 . 1 1 57 57 GLU CG C 13 36.49 0.4000 . 1 . . . . . 70 GLU CG . 15943 1 640 . 1 1 57 57 GLU N N 15 115.62 0.4000 . 1 . . . . . 70 GLU N . 15943 1 641 . 1 1 58 58 ARG H H 1 7.89 0.0300 . 1 . . . . . 71 ARG H . 15943 1 642 . 1 1 58 58 ARG HA H 1 4.15 0.0300 . 1 . . . . . 71 ARG HA . 15943 1 643 . 1 1 58 58 ARG HB2 H 1 1.37 0.0300 . 2 . . . . . 71 ARG HB2 . 15943 1 644 . 1 1 58 58 ARG HB3 H 1 1.37 0.0300 . 2 . . . . . 71 ARG HB3 . 15943 1 645 . 1 1 58 58 ARG HD2 H 1 2.93 0.0300 . 2 . . . . . 71 ARG HD2 . 15943 1 646 . 1 1 58 58 ARG HD3 H 1 2.93 0.0300 . 2 . . . . . 71 ARG HD3 . 15943 1 647 . 1 1 58 58 ARG C C 13 174.32 0.4000 . 1 . . . . . 71 ARG C . 15943 1 648 . 1 1 58 58 ARG CA C 13 54.89 0.4000 . 1 . . . . . 71 ARG CA . 15943 1 649 . 1 1 58 58 ARG CB C 13 28.40 0.4000 . 1 . . . . . 71 ARG CB . 15943 1 650 . 1 1 58 58 ARG N N 15 117.76 0.4000 . 1 . . . . . 71 ARG N . 15943 1 651 . 1 1 59 59 TYR H H 1 7.44 0.0300 . 1 . . . . . 72 TYR H . 15943 1 652 . 1 1 59 59 TYR HA H 1 4.93 0.0300 . 1 . . . . . 72 TYR HA . 15943 1 653 . 1 1 59 59 TYR HB2 H 1 3.02 0.0300 . 2 . . . . . 72 TYR HB2 . 15943 1 654 . 1 1 59 59 TYR HB3 H 1 2.21 0.0300 . 2 . . . . . 72 TYR HB3 . 15943 1 655 . 1 1 59 59 TYR HD1 H 1 6.87 0.0300 . 1 . . . . . 72 TYR HD1 . 15943 1 656 . 1 1 59 59 TYR HD2 H 1 6.87 0.0300 . 1 . . . . . 72 TYR HD2 . 15943 1 657 . 1 1 59 59 TYR HE1 H 1 6.36 0.0300 . 1 . . . . . 72 TYR HE1 . 15943 1 658 . 1 1 59 59 TYR HE2 H 1 6.36 0.0300 . 1 . . . . . 72 TYR HE2 . 15943 1 659 . 1 1 59 59 TYR C C 13 175.47 0.4000 . 1 . . . . . 72 TYR C . 15943 1 660 . 1 1 59 59 TYR CA C 13 58.07 0.4000 . 1 . . . . . 72 TYR CA . 15943 1 661 . 1 1 59 59 TYR CB C 13 39.23 0.4000 . 1 . . . . . 72 TYR CB . 15943 1 662 . 1 1 59 59 TYR CD1 C 13 133.57 0.4000 . 1 . . . . . 72 TYR CD1 . 15943 1 663 . 1 1 59 59 TYR CE1 C 13 117.07 0.4000 . 1 . . . . . 72 TYR CE1 . 15943 1 664 . 1 1 59 59 TYR N N 15 117.78 0.4000 . 1 . . . . . 72 TYR N . 15943 1 665 . 1 1 60 60 GLU H H 1 9.19 0.0300 . 1 . . . . . 73 GLU H . 15943 1 666 . 1 1 60 60 GLU HA H 1 4.73 0.0300 . 1 . . . . . 73 GLU HA . 15943 1 667 . 1 1 60 60 GLU HB2 H 1 2.14 0.0300 . 2 . . . . . 73 GLU HB2 . 15943 1 668 . 1 1 60 60 GLU HB3 H 1 1.83 0.0300 . 2 . . . . . 73 GLU HB3 . 15943 1 669 . 1 1 60 60 GLU C C 13 175.18 0.4000 . 1 . . . . . 73 GLU C . 15943 1 670 . 1 1 60 60 GLU CA C 13 54.54 0.4000 . 1 . . . . . 73 GLU CA . 15943 1 671 . 1 1 60 60 GLU CB C 13 32.78 0.4000 . 1 . . . . . 73 GLU CB . 15943 1 672 . 1 1 60 60 GLU N N 15 124.58 0.4000 . 1 . . . . . 73 GLU N . 15943 1 673 . 1 1 61 61 LYS H H 1 9.01 0.0300 . 1 . . . . . 74 LYS H . 15943 1 674 . 1 1 61 61 LYS HA H 1 4.38 0.0300 . 1 . . . . . 74 LYS HA . 15943 1 675 . 1 1 61 61 LYS HB2 H 1 1.87 0.0300 . 2 . . . . . 74 LYS HB2 . 15943 1 676 . 1 1 61 61 LYS HB3 H 1 1.62 0.0300 . 2 . . . . . 74 LYS HB3 . 15943 1 677 . 1 1 61 61 LYS HE2 H 1 2.86 0.0300 . 2 . . . . . 74 LYS HE2 . 15943 1 678 . 1 1 61 61 LYS HE3 H 1 2.69 0.0300 . 2 . . . . . 74 LYS HE3 . 15943 1 679 . 1 1 61 61 LYS C C 13 175.33 0.4000 . 1 . . . . . 74 LYS C . 15943 1 680 . 1 1 61 61 LYS CA C 13 57.51 0.4000 . 1 . . . . . 74 LYS CA . 15943 1 681 . 1 1 61 61 LYS CB C 13 33.02 0.4000 . 1 . . . . . 74 LYS CB . 15943 1 682 . 1 1 61 61 LYS CE C 13 41.69 0.4000 . 1 . . . . . 74 LYS CE . 15943 1 683 . 1 1 61 61 LYS N N 15 127.94 0.4000 . 1 . . . . . 74 LYS N . 15943 1 684 . 1 1 62 62 LYS H H 1 8.10 0.0300 . 1 . . . . . 75 LYS H . 15943 1 685 . 1 1 62 62 LYS HA H 1 4.62 0.0300 . 1 . . . . . 75 LYS HA . 15943 1 686 . 1 1 62 62 LYS HD2 H 1 1.55 0.0300 . 2 . . . . . 75 LYS HD2 . 15943 1 687 . 1 1 62 62 LYS HD3 H 1 1.55 0.0300 . 2 . . . . . 75 LYS HD3 . 15943 1 688 . 1 1 62 62 LYS HE2 H 1 2.92 0.0300 . 2 . . . . . 75 LYS HE2 . 15943 1 689 . 1 1 62 62 LYS HE3 H 1 2.83 0.0300 . 2 . . . . . 75 LYS HE3 . 15943 1 690 . 1 1 62 62 LYS HG2 H 1 1.09 0.0300 . 2 . . . . . 75 LYS HG2 . 15943 1 691 . 1 1 62 62 LYS HG3 H 1 1.06 0.0300 . 2 . . . . . 75 LYS HG3 . 15943 1 692 . 1 1 62 62 LYS CA C 13 54.24 0.4000 . 1 . . . . . 75 LYS CA . 15943 1 693 . 1 1 62 62 LYS CD C 13 28.09 0.4000 . 1 . . . . . 75 LYS CD . 15943 1 694 . 1 1 62 62 LYS CE C 13 41.79 0.4000 . 1 . . . . . 75 LYS CE . 15943 1 695 . 1 1 62 62 LYS CG C 13 24.26 0.4000 . 1 . . . . . 75 LYS CG . 15943 1 696 . 1 1 62 62 LYS N N 15 122.87 0.4000 . 1 . . . . . 75 LYS N . 15943 1 697 . 1 1 63 63 THR HA H 1 4.86 0.0300 . 1 . . . . . 76 THR HA . 15943 1 698 . 1 1 63 63 THR HB H 1 3.87 0.0300 . 1 . . . . . 76 THR HB . 15943 1 699 . 1 1 63 63 THR HG21 H 1 0.92 0.0300 . 1 . . . . . 76 THR HG2 . 15943 1 700 . 1 1 63 63 THR HG22 H 1 0.92 0.0300 . 1 . . . . . 76 THR HG2 . 15943 1 701 . 1 1 63 63 THR HG23 H 1 0.92 0.0300 . 1 . . . . . 76 THR HG2 . 15943 1 702 . 1 1 63 63 THR C C 13 174.95 0.4000 . 1 . . . . . 76 THR C . 15943 1 703 . 1 1 63 63 THR CA C 13 60.32 0.4000 . 1 . . . . . 76 THR CA . 15943 1 704 . 1 1 63 63 THR CB C 13 70.11 0.4000 . 1 . . . . . 76 THR CB . 15943 1 705 . 1 1 63 63 THR CG2 C 13 21.79 0.4000 . 1 . . . . . 76 THR CG2 . 15943 1 706 . 1 1 64 64 ALA H H 1 9.33 0.0300 . 1 . . . . . 77 ALA H . 15943 1 707 . 1 1 64 64 ALA HA H 1 4.71 0.0300 . 1 . . . . . 77 ALA HA . 15943 1 708 . 1 1 64 64 ALA HB1 H 1 1.55 0.0300 . 1 . . . . . 77 ALA HB . 15943 1 709 . 1 1 64 64 ALA HB2 H 1 1.55 0.0300 . 1 . . . . . 77 ALA HB . 15943 1 710 . 1 1 64 64 ALA HB3 H 1 1.55 0.0300 . 1 . . . . . 77 ALA HB . 15943 1 711 . 1 1 64 64 ALA CA C 13 51.27 0.4000 . 1 . . . . . 77 ALA CA . 15943 1 712 . 1 1 64 64 ALA CB C 13 20.44 0.4000 . 1 . . . . . 77 ALA CB . 15943 1 713 . 1 1 64 64 ALA N N 15 129.07 0.4000 . 1 . . . . . 77 ALA N . 15943 1 714 . 1 1 65 65 SER HA H 1 4.16 0.0300 . 1 . . . . . 78 SER HA . 15943 1 715 . 1 1 65 65 SER HB2 H 1 3.96 0.0300 . 2 . . . . . 78 SER HB2 . 15943 1 716 . 1 1 65 65 SER HB3 H 1 3.96 0.0300 . 2 . . . . . 78 SER HB3 . 15943 1 717 . 1 1 65 65 SER C C 13 174.68 0.4000 . 1 . . . . . 78 SER C . 15943 1 718 . 1 1 65 65 SER CA C 13 61.14 0.4000 . 1 . . . . . 78 SER CA . 15943 1 719 . 1 1 65 65 SER CB C 13 62.52 0.4000 . 1 . . . . . 78 SER CB . 15943 1 720 . 1 1 66 66 ASN H H 1 7.57 0.0300 . 1 . . . . . 79 ASN H . 15943 1 721 . 1 1 66 66 ASN HA H 1 4.61 0.0300 . 1 . . . . . 79 ASN HA . 15943 1 722 . 1 1 66 66 ASN HB2 H 1 3.22 0.0300 . 2 . . . . . 79 ASN HB2 . 15943 1 723 . 1 1 66 66 ASN HB3 H 1 2.76 0.0300 . 2 . . . . . 79 ASN HB3 . 15943 1 724 . 1 1 66 66 ASN C C 13 176.41 0.4000 . 1 . . . . . 79 ASN C . 15943 1 725 . 1 1 66 66 ASN CA C 13 52.23 0.4000 . 1 . . . . . 79 ASN CA . 15943 1 726 . 1 1 66 66 ASN CB C 13 37.37 0.4000 . 1 . . . . . 79 ASN CB . 15943 1 727 . 1 1 66 66 ASN N N 15 116.21 0.4000 . 1 . . . . . 79 ASN N . 15943 1 728 . 1 1 67 67 GLY H H 1 8.09 0.0300 . 1 . . . . . 80 GLY H . 15943 1 729 . 1 1 67 67 GLY HA2 H 1 4.11 0.0300 . 2 . . . . . 80 GLY HA2 . 15943 1 730 . 1 1 67 67 GLY HA3 H 1 3.38 0.0300 . 2 . . . . . 80 GLY HA3 . 15943 1 731 . 1 1 67 67 GLY C C 13 174.20 0.4000 . 1 . . . . . 80 GLY C . 15943 1 732 . 1 1 67 67 GLY CA C 13 45.06 0.4000 . 1 . . . . . 80 GLY CA . 15943 1 733 . 1 1 67 67 GLY N N 15 107.35 0.4000 . 1 . . . . . 80 GLY N . 15943 1 734 . 1 1 68 68 LYS H H 1 7.23 0.0300 . 1 . . . . . 81 LYS H . 15943 1 735 . 1 1 68 68 LYS HA H 1 4.38 0.0300 . 1 . . . . . 81 LYS HA . 15943 1 736 . 1 1 68 68 LYS HB2 H 1 1.88 0.0300 . 2 . . . . . 81 LYS HB2 . 15943 1 737 . 1 1 68 68 LYS HB3 H 1 1.70 0.0300 . 2 . . . . . 81 LYS HB3 . 15943 1 738 . 1 1 68 68 LYS HD2 H 1 1.53 0.0300 . 2 . . . . . 81 LYS HD2 . 15943 1 739 . 1 1 68 68 LYS HD3 H 1 1.37 0.0300 . 2 . . . . . 81 LYS HD3 . 15943 1 740 . 1 1 68 68 LYS HE2 H 1 2.87 0.0300 . 2 . . . . . 81 LYS HE2 . 15943 1 741 . 1 1 68 68 LYS HE3 H 1 2.87 0.0300 . 2 . . . . . 81 LYS HE3 . 15943 1 742 . 1 1 68 68 LYS HG2 H 1 1.32 0.0300 . 2 . . . . . 81 LYS HG2 . 15943 1 743 . 1 1 68 68 LYS HG3 H 1 1.21 0.0300 . 2 . . . . . 81 LYS HG3 . 15943 1 744 . 1 1 68 68 LYS C C 13 174.27 0.4000 . 1 . . . . . 81 LYS C . 15943 1 745 . 1 1 68 68 LYS CA C 13 55.56 0.4000 . 1 . . . . . 81 LYS CA . 15943 1 746 . 1 1 68 68 LYS CB C 13 33.59 0.4000 . 1 . . . . . 81 LYS CB . 15943 1 747 . 1 1 68 68 LYS CD C 13 28.86 0.4000 . 1 . . . . . 81 LYS CD . 15943 1 748 . 1 1 68 68 LYS CE C 13 42.52 0.4000 . 1 . . . . . 81 LYS CE . 15943 1 749 . 1 1 68 68 LYS CG C 13 25.91 0.4000 . 1 . . . . . 81 LYS CG . 15943 1 750 . 1 1 68 68 LYS N N 15 117.36 0.4000 . 1 . . . . . 81 LYS N . 15943 1 751 . 1 1 69 69 PHE H H 1 9.10 0.0300 . 1 . . . . . 82 PHE H . 15943 1 752 . 1 1 69 69 PHE HA H 1 5.09 0.0300 . 1 . . . . . 82 PHE HA . 15943 1 753 . 1 1 69 69 PHE HB2 H 1 2.83 0.0300 . 2 . . . . . 82 PHE HB2 . 15943 1 754 . 1 1 69 69 PHE HB3 H 1 2.77 0.0300 . 2 . . . . . 82 PHE HB3 . 15943 1 755 . 1 1 69 69 PHE HD1 H 1 7.03 0.0300 . 1 . . . . . 82 PHE HD1 . 15943 1 756 . 1 1 69 69 PHE HD2 H 1 7.03 0.0300 . 1 . . . . . 82 PHE HD2 . 15943 1 757 . 1 1 69 69 PHE HE1 H 1 7.40 0.0300 . 1 . . . . . 82 PHE HE1 . 15943 1 758 . 1 1 69 69 PHE HE2 H 1 7.40 0.0300 . 1 . . . . . 82 PHE HE2 . 15943 1 759 . 1 1 69 69 PHE HZ H 1 7.35 0.0300 . 1 . . . . . 82 PHE HZ . 15943 1 760 . 1 1 69 69 PHE C C 13 175.50 0.4000 . 1 . . . . . 82 PHE C . 15943 1 761 . 1 1 69 69 PHE CA C 13 57.69 0.4000 . 1 . . . . . 82 PHE CA . 15943 1 762 . 1 1 69 69 PHE CB C 13 41.76 0.4000 . 1 . . . . . 82 PHE CB . 15943 1 763 . 1 1 69 69 PHE CD1 C 13 131.52 0.4000 . 1 . . . . . 82 PHE CD1 . 15943 1 764 . 1 1 69 69 PHE CE1 C 13 131.30 0.4000 . 1 . . . . . 82 PHE CE1 . 15943 1 765 . 1 1 69 69 PHE CZ C 13 130.30 0.4000 . 1 . . . . . 82 PHE CZ . 15943 1 766 . 1 1 69 69 PHE N N 15 117.74 0.4000 . 1 . . . . . 82 PHE N . 15943 1 767 . 1 1 70 70 TYR H H 1 9.39 0.0300 . 1 . . . . . 83 TYR H . 15943 1 768 . 1 1 70 70 TYR HA H 1 5.43 0.0300 . 1 . . . . . 83 TYR HA . 15943 1 769 . 1 1 70 70 TYR HB2 H 1 3.38 0.0300 . 2 . . . . . 83 TYR HB2 . 15943 1 770 . 1 1 70 70 TYR HB3 H 1 3.07 0.0300 . 2 . . . . . 83 TYR HB3 . 15943 1 771 . 1 1 70 70 TYR HD1 H 1 6.75 0.0300 . 1 . . . . . 83 TYR HD1 . 15943 1 772 . 1 1 70 70 TYR HD2 H 1 6.75 0.0300 . 1 . . . . . 83 TYR HD2 . 15943 1 773 . 1 1 70 70 TYR HE1 H 1 6.51 0.0300 . 1 . . . . . 83 TYR HE1 . 15943 1 774 . 1 1 70 70 TYR HE2 H 1 6.51 0.0300 . 1 . . . . . 83 TYR HE2 . 15943 1 775 . 1 1 70 70 TYR C C 13 174.11 0.4000 . 1 . . . . . 83 TYR C . 15943 1 776 . 1 1 70 70 TYR CA C 13 56.52 0.4000 . 1 . . . . . 83 TYR CA . 15943 1 777 . 1 1 70 70 TYR CB C 13 40.66 0.4000 . 1 . . . . . 83 TYR CB . 15943 1 778 . 1 1 70 70 TYR CD1 C 13 134.12 0.4000 . 1 . . . . . 83 TYR CD1 . 15943 1 779 . 1 1 70 70 TYR CE1 C 13 117.76 0.4000 . 1 . . . . . 83 TYR CE1 . 15943 1 780 . 1 1 70 70 TYR N N 15 119.30 0.4000 . 1 . . . . . 83 TYR N . 15943 1 781 . 1 1 71 71 PHE H H 1 9.73 0.0300 . 1 . . . . . 84 PHE H . 15943 1 782 . 1 1 71 71 PHE HA H 1 5.72 0.0300 . 1 . . . . . 84 PHE HA . 15943 1 783 . 1 1 71 71 PHE HB2 H 1 3.16 0.0300 . 2 . . . . . 84 PHE HB2 . 15943 1 784 . 1 1 71 71 PHE HB3 H 1 2.87 0.0300 . 2 . . . . . 84 PHE HB3 . 15943 1 785 . 1 1 71 71 PHE C C 13 172.40 0.4000 . 1 . . . . . 84 PHE C . 15943 1 786 . 1 1 71 71 PHE CA C 13 55.97 0.4000 . 1 . . . . . 84 PHE CA . 15943 1 787 . 1 1 71 71 PHE CB C 13 42.56 0.4000 . 1 . . . . . 84 PHE CB . 15943 1 788 . 1 1 71 71 PHE N N 15 117.63 0.4000 . 1 . . . . . 84 PHE N . 15943 1 789 . 1 1 72 72 ASN H H 1 9.08 0.0300 . 1 . . . . . 85 ASN H . 15943 1 790 . 1 1 72 72 ASN HA H 1 5.81 0.0300 . 1 . . . . . 85 ASN HA . 15943 1 791 . 1 1 72 72 ASN HB2 H 1 2.74 0.0300 . 2 . . . . . 85 ASN HB2 . 15943 1 792 . 1 1 72 72 ASN HB3 H 1 2.67 0.0300 . 2 . . . . . 85 ASN HB3 . 15943 1 793 . 1 1 72 72 ASN C C 13 174.39 0.4000 . 1 . . . . . 85 ASN C . 15943 1 794 . 1 1 72 72 ASN CA C 13 51.42 0.4000 . 1 . . . . . 85 ASN CA . 15943 1 795 . 1 1 72 72 ASN CB C 13 42.18 0.4000 . 1 . . . . . 85 ASN CB . 15943 1 796 . 1 1 72 72 ASN N N 15 115.47 0.4000 . 1 . . . . . 85 ASN N . 15943 1 797 . 1 1 73 73 LEU H H 1 8.90 0.0300 . 1 . . . . . 86 LEU H . 15943 1 798 . 1 1 73 73 LEU HA H 1 4.83 0.0300 . 1 . . . . . 86 LEU HA . 15943 1 799 . 1 1 73 73 LEU HB2 H 1 1.63 0.0300 . 2 . . . . . 86 LEU HB2 . 15943 1 800 . 1 1 73 73 LEU HB3 H 1 0.96 0.0300 . 2 . . . . . 86 LEU HB3 . 15943 1 801 . 1 1 73 73 LEU HD11 H 1 0.75 0.0300 . 2 . . . . . 86 LEU HD1 . 15943 1 802 . 1 1 73 73 LEU HD12 H 1 0.75 0.0300 . 2 . . . . . 86 LEU HD1 . 15943 1 803 . 1 1 73 73 LEU HD13 H 1 0.75 0.0300 . 2 . . . . . 86 LEU HD1 . 15943 1 804 . 1 1 73 73 LEU HD21 H 1 0.02 0.0300 . 2 . . . . . 86 LEU HD2 . 15943 1 805 . 1 1 73 73 LEU HD22 H 1 0.02 0.0300 . 2 . . . . . 86 LEU HD2 . 15943 1 806 . 1 1 73 73 LEU HD23 H 1 0.02 0.0300 . 2 . . . . . 86 LEU HD2 . 15943 1 807 . 1 1 73 73 LEU HG H 1 1.30 0.0300 . 1 . . . . . 86 LEU HG . 15943 1 808 . 1 1 73 73 LEU C C 13 174.76 0.4000 . 1 . . . . . 86 LEU C . 15943 1 809 . 1 1 73 73 LEU CA C 13 53.69 0.4000 . 1 . . . . . 86 LEU CA . 15943 1 810 . 1 1 73 73 LEU CB C 13 44.65 0.4000 . 1 . . . . . 86 LEU CB . 15943 1 811 . 1 1 73 73 LEU CD1 C 13 28.35 0.4000 . 1 . . . . . 86 LEU CD1 . 15943 1 812 . 1 1 73 73 LEU CD2 C 13 21.96 0.4000 . 1 . . . . . 86 LEU CD2 . 15943 1 813 . 1 1 73 73 LEU CG C 13 26.89 0.4000 . 1 . . . . . 86 LEU CG . 15943 1 814 . 1 1 73 73 LEU N N 15 123.49 0.4000 . 1 . . . . . 86 LEU N . 15943 1 815 . 1 1 74 74 LYS H H 1 9.03 0.0300 . 1 . . . . . 87 LYS H . 15943 1 816 . 1 1 74 74 LYS HA H 1 5.07 0.0300 . 1 . . . . . 87 LYS HA . 15943 1 817 . 1 1 74 74 LYS HB2 H 1 1.67 0.0300 . 2 . . . . . 87 LYS HB2 . 15943 1 818 . 1 1 74 74 LYS HB3 H 1 1.67 0.0300 . 2 . . . . . 87 LYS HB3 . 15943 1 819 . 1 1 74 74 LYS HD2 H 1 1.62 0.0300 . 2 . . . . . 87 LYS HD2 . 15943 1 820 . 1 1 74 74 LYS HD3 H 1 1.62 0.0300 . 2 . . . . . 87 LYS HD3 . 15943 1 821 . 1 1 74 74 LYS HE2 H 1 2.90 0.0300 . 2 . . . . . 87 LYS HE2 . 15943 1 822 . 1 1 74 74 LYS HE3 H 1 2.77 0.0300 . 2 . . . . . 87 LYS HE3 . 15943 1 823 . 1 1 74 74 LYS HG2 H 1 1.18 0.0300 . 2 . . . . . 87 LYS HG2 . 15943 1 824 . 1 1 74 74 LYS HG3 H 1 1.18 0.0300 . 2 . . . . . 87 LYS HG3 . 15943 1 825 . 1 1 74 74 LYS CA C 13 54.79 0.4000 . 1 . . . . . 87 LYS CA . 15943 1 826 . 1 1 74 74 LYS CB C 13 35.77 0.4000 . 1 . . . . . 87 LYS CB . 15943 1 827 . 1 1 74 74 LYS CD C 13 29.34 0.4000 . 1 . . . . . 87 LYS CD . 15943 1 828 . 1 1 74 74 LYS CE C 13 41.73 0.4000 . 1 . . . . . 87 LYS CE . 15943 1 829 . 1 1 74 74 LYS CG C 13 25.20 0.4000 . 1 . . . . . 87 LYS CG . 15943 1 830 . 1 1 74 74 LYS N N 15 127.96 0.4000 . 1 . . . . . 87 LYS N . 15943 1 831 . 1 1 75 75 ALA H H 1 8.05 0.0300 . 1 . . . . . 88 ALA H . 15943 1 832 . 1 1 75 75 ALA HA H 1 4.57 0.0300 . 1 . . . . . 88 ALA HA . 15943 1 833 . 1 1 75 75 ALA HB1 H 1 1.52 0.0300 . 1 . . . . . 88 ALA HB . 15943 1 834 . 1 1 75 75 ALA HB2 H 1 1.52 0.0300 . 1 . . . . . 88 ALA HB . 15943 1 835 . 1 1 75 75 ALA HB3 H 1 1.52 0.0300 . 1 . . . . . 88 ALA HB . 15943 1 836 . 1 1 75 75 ALA C C 13 179.59 0.4000 . 1 . . . . . 88 ALA C . 15943 1 837 . 1 1 75 75 ALA CA C 13 49.61 0.4000 . 1 . . . . . 88 ALA CA . 15943 1 838 . 1 1 75 75 ALA CB C 13 20.26 0.4000 . 1 . . . . . 88 ALA CB . 15943 1 839 . 1 1 75 75 ALA N N 15 117.53 0.4000 . 1 . . . . . 88 ALA N . 15943 1 840 . 1 1 76 76 ALA H H 1 8.40 0.0300 . 1 . . . . . 89 ALA H . 15943 1 841 . 1 1 76 76 ALA HA H 1 3.75 0.0300 . 1 . . . . . 89 ALA HA . 15943 1 842 . 1 1 76 76 ALA HB1 H 1 1.40 0.0300 . 1 . . . . . 89 ALA HB . 15943 1 843 . 1 1 76 76 ALA HB2 H 1 1.40 0.0300 . 1 . . . . . 89 ALA HB . 15943 1 844 . 1 1 76 76 ALA HB3 H 1 1.40 0.0300 . 1 . . . . . 89 ALA HB . 15943 1 845 . 1 1 76 76 ALA C C 13 177.29 0.4000 . 1 . . . . . 89 ALA C . 15943 1 846 . 1 1 76 76 ALA CA C 13 54.93 0.4000 . 1 . . . . . 89 ALA CA . 15943 1 847 . 1 1 76 76 ALA CB C 13 18.14 0.4000 . 1 . . . . . 89 ALA CB . 15943 1 848 . 1 1 76 76 ALA N N 15 123.22 0.4000 . 1 . . . . . 89 ALA N . 15943 1 849 . 1 1 77 77 ASN H H 1 7.55 0.0300 . 1 . . . . . 90 ASN H . 15943 1 850 . 1 1 77 77 ASN HA H 1 4.35 0.0300 . 1 . . . . . 90 ASN HA . 15943 1 851 . 1 1 77 77 ASN HB2 H 1 3.18 0.0300 . 2 . . . . . 90 ASN HB2 . 15943 1 852 . 1 1 77 77 ASN HB3 H 1 2.71 0.0300 . 2 . . . . . 90 ASN HB3 . 15943 1 853 . 1 1 77 77 ASN C C 13 175.79 0.4000 . 1 . . . . . 90 ASN C . 15943 1 854 . 1 1 77 77 ASN CA C 13 52.22 0.4000 . 1 . . . . . 90 ASN CA . 15943 1 855 . 1 1 77 77 ASN CB C 13 36.95 0.4000 . 1 . . . . . 90 ASN CB . 15943 1 856 . 1 1 77 77 ASN N N 15 112.81 0.4000 . 1 . . . . . 90 ASN N . 15943 1 857 . 1 1 78 78 HIS H H 1 7.83 0.0300 . 1 . . . . . 91 HIS H . 15943 1 858 . 1 1 78 78 HIS HA H 1 4.04 0.0300 . 1 . . . . . 91 HIS HA . 15943 1 859 . 1 1 78 78 HIS HB2 H 1 3.61 0.0300 . 2 . . . . . 91 HIS HB2 . 15943 1 860 . 1 1 78 78 HIS HB3 H 1 3.29 0.0300 . 2 . . . . . 91 HIS HB3 . 15943 1 861 . 1 1 78 78 HIS C C 13 174.00 0.4000 . 1 . . . . . 91 HIS C . 15943 1 862 . 1 1 78 78 HIS CA C 13 58.25 0.4000 . 1 . . . . . 91 HIS CA . 15943 1 863 . 1 1 78 78 HIS CB C 13 27.59 0.4000 . 1 . . . . . 91 HIS CB . 15943 1 864 . 1 1 78 78 HIS N N 15 110.01 0.4000 . 1 . . . . . 91 HIS N . 15943 1 865 . 1 1 79 79 GLN H H 1 7.60 0.0300 . 1 . . . . . 92 GLN H . 15943 1 866 . 1 1 79 79 GLN HA H 1 4.33 0.0300 . 1 . . . . . 92 GLN HA . 15943 1 867 . 1 1 79 79 GLN HB2 H 1 1.99 0.0300 . 2 . . . . . 92 GLN HB2 . 15943 1 868 . 1 1 79 79 GLN HB3 H 1 1.99 0.0300 . 2 . . . . . 92 GLN HB3 . 15943 1 869 . 1 1 79 79 GLN HE21 H 1 6.88 0.0300 . 2 . . . . . 92 GLN HE21 . 15943 1 870 . 1 1 79 79 GLN HE22 H 1 7.54 0.0300 . 2 . . . . . 92 GLN HE22 . 15943 1 871 . 1 1 79 79 GLN HG2 H 1 2.29 0.0300 . 2 . . . . . 92 GLN HG2 . 15943 1 872 . 1 1 79 79 GLN HG3 H 1 2.29 0.0300 . 2 . . . . . 92 GLN HG3 . 15943 1 873 . 1 1 79 79 GLN C C 13 175.94 0.4000 . 1 . . . . . 92 GLN C . 15943 1 874 . 1 1 79 79 GLN CA C 13 55.52 0.4000 . 1 . . . . . 92 GLN CA . 15943 1 875 . 1 1 79 79 GLN CB C 13 29.34 0.4000 . 1 . . . . . 92 GLN CB . 15943 1 876 . 1 1 79 79 GLN CG C 13 33.74 0.4000 . 1 . . . . . 92 GLN CG . 15943 1 877 . 1 1 79 79 GLN N N 15 119.22 0.4000 . 1 . . . . . 92 GLN N . 15943 1 878 . 1 1 79 79 GLN NE2 N 15 112.28 0.4000 . 1 . . . . . 92 GLN NE2 . 15943 1 879 . 1 1 80 80 ILE H H 1 8.72 0.0300 . 1 . . . . . 93 ILE H . 15943 1 880 . 1 1 80 80 ILE HA H 1 3.90 0.0300 . 1 . . . . . 93 ILE HA . 15943 1 881 . 1 1 80 80 ILE HB H 1 1.78 0.0300 . 1 . . . . . 93 ILE HB . 15943 1 882 . 1 1 80 80 ILE HD11 H 1 0.90 0.0300 . 1 . . . . . 93 ILE HD1 . 15943 1 883 . 1 1 80 80 ILE HD12 H 1 0.90 0.0300 . 1 . . . . . 93 ILE HD1 . 15943 1 884 . 1 1 80 80 ILE HD13 H 1 0.90 0.0300 . 1 . . . . . 93 ILE HD1 . 15943 1 885 . 1 1 80 80 ILE HG12 H 1 0.90 0.0300 . 2 . . . . . 93 ILE HG12 . 15943 1 886 . 1 1 80 80 ILE HG13 H 1 0.90 0.0300 . 2 . . . . . 93 ILE HG13 . 15943 1 887 . 1 1 80 80 ILE HG21 H 1 0.84 0.0300 . 1 . . . . . 93 ILE HG2 . 15943 1 888 . 1 1 80 80 ILE HG22 H 1 0.84 0.0300 . 1 . . . . . 93 ILE HG2 . 15943 1 889 . 1 1 80 80 ILE HG23 H 1 0.84 0.0300 . 1 . . . . . 93 ILE HG2 . 15943 1 890 . 1 1 80 80 ILE C C 13 176.35 0.4000 . 1 . . . . . 93 ILE C . 15943 1 891 . 1 1 80 80 ILE CA C 13 63.43 0.4000 . 1 . . . . . 93 ILE CA . 15943 1 892 . 1 1 80 80 ILE CB C 13 38.65 0.4000 . 1 . . . . . 93 ILE CB . 15943 1 893 . 1 1 80 80 ILE CD1 C 13 13.43 0.4000 . 1 . . . . . 93 ILE CD1 . 15943 1 894 . 1 1 80 80 ILE CG1 C 13 29.63 0.4000 . 1 . . . . . 93 ILE CG1 . 15943 1 895 . 1 1 80 80 ILE CG2 C 13 17.75 0.4000 . 1 . . . . . 93 ILE CG2 . 15943 1 896 . 1 1 80 80 ILE N N 15 124.27 0.4000 . 1 . . . . . 93 ILE N . 15943 1 897 . 1 1 81 81 ILE H H 1 9.32 0.0300 . 1 . . . . . 94 ILE H . 15943 1 898 . 1 1 81 81 ILE HA H 1 4.49 0.0300 . 1 . . . . . 94 ILE HA . 15943 1 899 . 1 1 81 81 ILE HB H 1 1.79 0.0300 . 1 . . . . . 94 ILE HB . 15943 1 900 . 1 1 81 81 ILE HD11 H 1 0.67 0.0300 . 1 . . . . . 94 ILE HD1 . 15943 1 901 . 1 1 81 81 ILE HD12 H 1 0.67 0.0300 . 1 . . . . . 94 ILE HD1 . 15943 1 902 . 1 1 81 81 ILE HD13 H 1 0.67 0.0300 . 1 . . . . . 94 ILE HD1 . 15943 1 903 . 1 1 81 81 ILE HG12 H 1 2.29 0.0300 . 2 . . . . . 94 ILE HG12 . 15943 1 904 . 1 1 81 81 ILE HG13 H 1 1.32 0.0300 . 2 . . . . . 94 ILE HG13 . 15943 1 905 . 1 1 81 81 ILE HG21 H 1 1.03 0.0300 . 1 . . . . . 94 ILE HG2 . 15943 1 906 . 1 1 81 81 ILE HG22 H 1 1.03 0.0300 . 1 . . . . . 94 ILE HG2 . 15943 1 907 . 1 1 81 81 ILE HG23 H 1 1.03 0.0300 . 1 . . . . . 94 ILE HG2 . 15943 1 908 . 1 1 81 81 ILE C C 13 176.19 0.4000 . 1 . . . . . 94 ILE C . 15943 1 909 . 1 1 81 81 ILE CA C 13 61.92 0.4000 . 1 . . . . . 94 ILE CA . 15943 1 910 . 1 1 81 81 ILE CB C 13 40.05 0.4000 . 1 . . . . . 94 ILE CB . 15943 1 911 . 1 1 81 81 ILE CD1 C 13 14.09 0.4000 . 1 . . . . . 94 ILE CD1 . 15943 1 912 . 1 1 81 81 ILE CG1 C 13 26.58 0.4000 . 1 . . . . . 94 ILE CG1 . 15943 1 913 . 1 1 81 81 ILE CG2 C 13 18.85 0.4000 . 1 . . . . . 94 ILE CG2 . 15943 1 914 . 1 1 81 81 ILE N N 15 123.68 0.4000 . 1 . . . . . 94 ILE N . 15943 1 915 . 1 1 82 82 GLY H H 1 7.61 0.0300 . 1 . . . . . 95 GLY H . 15943 1 916 . 1 1 82 82 GLY HA2 H 1 4.56 0.0300 . 2 . . . . . 95 GLY HA2 . 15943 1 917 . 1 1 82 82 GLY HA3 H 1 3.62 0.0300 . 2 . . . . . 95 GLY HA3 . 15943 1 918 . 1 1 82 82 GLY C C 13 171.41 0.4000 . 1 . . . . . 95 GLY C . 15943 1 919 . 1 1 82 82 GLY CA C 13 46.02 0.4000 . 1 . . . . . 95 GLY CA . 15943 1 920 . 1 1 82 82 GLY N N 15 104.32 0.4000 . 1 . . . . . 95 GLY N . 15943 1 921 . 1 1 83 83 SER H H 1 8.63 0.0300 . 1 . . . . . 96 SER H . 15943 1 922 . 1 1 83 83 SER HA H 1 5.51 0.0300 . 1 . . . . . 96 SER HA . 15943 1 923 . 1 1 83 83 SER HB2 H 1 3.95 0.0300 . 2 . . . . . 96 SER HB2 . 15943 1 924 . 1 1 83 83 SER HB3 H 1 3.68 0.0300 . 2 . . . . . 96 SER HB3 . 15943 1 925 . 1 1 83 83 SER C C 13 173.86 0.4000 . 1 . . . . . 96 SER C . 15943 1 926 . 1 1 83 83 SER CA C 13 57.41 0.4000 . 1 . . . . . 96 SER CA . 15943 1 927 . 1 1 83 83 SER CB C 13 66.67 0.4000 . 1 . . . . . 96 SER CB . 15943 1 928 . 1 1 83 83 SER N N 15 114.17 0.4000 . 1 . . . . . 96 SER N . 15943 1 929 . 1 1 84 84 SER H H 1 8.57 0.0300 . 1 . . . . . 97 SER H . 15943 1 930 . 1 1 84 84 SER HA H 1 4.35 0.0300 . 1 . . . . . 97 SER HA . 15943 1 931 . 1 1 84 84 SER HB2 H 1 4.31 0.0300 . 2 . . . . . 97 SER HB2 . 15943 1 932 . 1 1 84 84 SER HB3 H 1 1.55 0.0300 . 2 . . . . . 97 SER HB3 . 15943 1 933 . 1 1 84 84 SER C C 13 173.66 0.4000 . 1 . . . . . 97 SER C . 15943 1 934 . 1 1 84 84 SER CA C 13 57.99 0.4000 . 1 . . . . . 97 SER CA . 15943 1 935 . 1 1 84 84 SER CB C 13 66.22 0.4000 . 1 . . . . . 97 SER CB . 15943 1 936 . 1 1 84 84 SER N N 15 121.05 0.4000 . 1 . . . . . 97 SER N . 15943 1 937 . 1 1 85 85 GLN H H 1 8.78 0.0300 . 1 . . . . . 98 GLN H . 15943 1 938 . 1 1 85 85 GLN HA H 1 4.21 0.0300 . 1 . . . . . 98 GLN HA . 15943 1 939 . 1 1 85 85 GLN HB2 H 1 1.75 0.0300 . 2 . . . . . 98 GLN HB2 . 15943 1 940 . 1 1 85 85 GLN HB3 H 1 1.42 0.0300 . 2 . . . . . 98 GLN HB3 . 15943 1 941 . 1 1 85 85 GLN HE21 H 1 7.20 0.0300 . 2 . . . . . 98 GLN HE21 . 15943 1 942 . 1 1 85 85 GLN HE22 H 1 7.25 0.0300 . 2 . . . . . 98 GLN HE22 . 15943 1 943 . 1 1 85 85 GLN HG2 H 1 2.06 0.0300 . 2 . . . . . 98 GLN HG2 . 15943 1 944 . 1 1 85 85 GLN HG3 H 1 1.94 0.0300 . 2 . . . . . 98 GLN HG3 . 15943 1 945 . 1 1 85 85 GLN C C 13 175.04 0.4000 . 1 . . . . . 98 GLN C . 15943 1 946 . 1 1 85 85 GLN CA C 13 55.02 0.4000 . 1 . . . . . 98 GLN CA . 15943 1 947 . 1 1 85 85 GLN CB C 13 29.67 0.4000 . 1 . . . . . 98 GLN CB . 15943 1 948 . 1 1 85 85 GLN CG C 13 33.48 0.4000 . 1 . . . . . 98 GLN CG . 15943 1 949 . 1 1 85 85 GLN N N 15 115.90 0.4000 . 1 . . . . . 98 GLN N . 15943 1 950 . 1 1 85 85 GLN NE2 N 15 111.48 0.4000 . 1 . . . . . 98 GLN NE2 . 15943 1 951 . 1 1 86 86 MET H H 1 8.17 0.0300 . 1 . . . . . 99 MET H . 15943 1 952 . 1 1 86 86 MET HA H 1 4.74 0.0300 . 1 . . . . . 99 MET HA . 15943 1 953 . 1 1 86 86 MET HB2 H 1 2.24 0.0300 . 2 . . . . . 99 MET HB2 . 15943 1 954 . 1 1 86 86 MET HB3 H 1 1.95 0.0300 . 2 . . . . . 99 MET HB3 . 15943 1 955 . 1 1 86 86 MET HG2 H 1 2.71 0.0300 . 2 . . . . . 99 MET HG2 . 15943 1 956 . 1 1 86 86 MET HG3 H 1 2.25 0.0300 . 2 . . . . . 99 MET HG3 . 15943 1 957 . 1 1 86 86 MET CA C 13 54.28 0.4000 . 1 . . . . . 99 MET CA . 15943 1 958 . 1 1 86 86 MET CB C 13 36.63 0.4000 . 1 . . . . . 99 MET CB . 15943 1 959 . 1 1 86 86 MET CG C 13 32.33 0.4000 . 1 . . . . . 99 MET CG . 15943 1 960 . 1 1 86 86 MET N N 15 116.65 0.4000 . 1 . . . . . 99 MET N . 15943 1 961 . 1 1 87 87 TYR H H 1 9.74 0.0300 . 1 . . . . . 100 TYR H . 15943 1 962 . 1 1 87 87 TYR HA H 1 4.93 0.0300 . 1 . . . . . 100 TYR HA . 15943 1 963 . 1 1 87 87 TYR HB2 H 1 3.02 0.0300 . 2 . . . . . 100 TYR HB2 . 15943 1 964 . 1 1 87 87 TYR HB3 H 1 2.21 0.0300 . 2 . . . . . 100 TYR HB3 . 15943 1 965 . 1 1 87 87 TYR HD1 H 1 7.35 0.0300 . 1 . . . . . 100 TYR HD1 . 15943 1 966 . 1 1 87 87 TYR HD2 H 1 7.35 0.0300 . 1 . . . . . 100 TYR HD2 . 15943 1 967 . 1 1 87 87 TYR HE1 H 1 6.90 0.0300 . 1 . . . . . 100 TYR HE1 . 15943 1 968 . 1 1 87 87 TYR HE2 H 1 6.90 0.0300 . 1 . . . . . 100 TYR HE2 . 15943 1 969 . 1 1 87 87 TYR C C 13 175.47 0.4000 . 1 . . . . . 100 TYR C . 15943 1 970 . 1 1 87 87 TYR CA C 13 58.07 0.4000 . 1 . . . . . 100 TYR CA . 15943 1 971 . 1 1 87 87 TYR CB C 13 39.23 0.4000 . 1 . . . . . 100 TYR CB . 15943 1 972 . 1 1 87 87 TYR CD1 C 13 134.13 0.4000 . 1 . . . . . 100 TYR CD1 . 15943 1 973 . 1 1 87 87 TYR CE1 C 13 118.25 0.4000 . 1 . . . . . 100 TYR CE1 . 15943 1 974 . 1 1 87 87 TYR N N 15 123.05 0.4000 . 1 . . . . . 100 TYR N . 15943 1 975 . 1 1 88 88 ALA H H 1 9.19 0.0300 . 1 . . . . . 101 ALA H . 15943 1 976 . 1 1 88 88 ALA HA H 1 4.45 0.0300 . 1 . . . . . 101 ALA HA . 15943 1 977 . 1 1 88 88 ALA HB1 H 1 1.68 0.0300 . 1 . . . . . 101 ALA HB . 15943 1 978 . 1 1 88 88 ALA HB2 H 1 1.68 0.0300 . 1 . . . . . 101 ALA HB . 15943 1 979 . 1 1 88 88 ALA HB3 H 1 1.68 0.0300 . 1 . . . . . 101 ALA HB . 15943 1 980 . 1 1 88 88 ALA C C 13 178.38 0.4000 . 1 . . . . . 101 ALA C . 15943 1 981 . 1 1 88 88 ALA CA C 13 54.10 0.4000 . 1 . . . . . 101 ALA CA . 15943 1 982 . 1 1 88 88 ALA CB C 13 19.99 0.4000 . 1 . . . . . 101 ALA CB . 15943 1 983 . 1 1 88 88 ALA N N 15 124.58 0.4000 . 1 . . . . . 101 ALA N . 15943 1 984 . 1 1 89 89 THR H H 1 7.33 0.0300 . 1 . . . . . 102 THR H . 15943 1 985 . 1 1 89 89 THR HA H 1 4.78 0.0300 . 1 . . . . . 102 THR HA . 15943 1 986 . 1 1 89 89 THR HB H 1 4.58 0.0300 . 1 . . . . . 102 THR HB . 15943 1 987 . 1 1 89 89 THR HG21 H 1 1.29 0.0300 . 1 . . . . . 102 THR HG2 . 15943 1 988 . 1 1 89 89 THR HG22 H 1 1.29 0.0300 . 1 . . . . . 102 THR HG2 . 15943 1 989 . 1 1 89 89 THR HG23 H 1 1.29 0.0300 . 1 . . . . . 102 THR HG2 . 15943 1 990 . 1 1 89 89 THR C C 13 173.83 0.4000 . 1 . . . . . 102 THR C . 15943 1 991 . 1 1 89 89 THR CA C 13 58.33 0.4000 . 1 . . . . . 102 THR CA . 15943 1 992 . 1 1 89 89 THR CB C 13 73.14 0.4000 . 1 . . . . . 102 THR CB . 15943 1 993 . 1 1 89 89 THR CG2 C 13 21.59 0.4000 . 1 . . . . . 102 THR CG2 . 15943 1 994 . 1 1 89 89 THR N N 15 102.02 0.4000 . 1 . . . . . 102 THR N . 15943 1 995 . 1 1 90 90 ALA H H 1 8.41 0.0300 . 1 . . . . . 103 ALA H . 15943 1 996 . 1 1 90 90 ALA HA H 1 3.22 0.0300 . 1 . . . . . 103 ALA HA . 15943 1 997 . 1 1 90 90 ALA HB1 H 1 0.95 0.0300 . 1 . . . . . 103 ALA HB . 15943 1 998 . 1 1 90 90 ALA HB2 H 1 0.95 0.0300 . 1 . . . . . 103 ALA HB . 15943 1 999 . 1 1 90 90 ALA HB3 H 1 0.95 0.0300 . 1 . . . . . 103 ALA HB . 15943 1 1000 . 1 1 90 90 ALA C C 13 180.73 0.4000 . 1 . . . . . 103 ALA C . 15943 1 1001 . 1 1 90 90 ALA CA C 13 54.63 0.4000 . 1 . . . . . 103 ALA CA . 15943 1 1002 . 1 1 90 90 ALA CB C 13 17.10 0.4000 . 1 . . . . . 103 ALA CB . 15943 1 1003 . 1 1 90 90 ALA N N 15 125.30 0.4000 . 1 . . . . . 103 ALA N . 15943 1 1004 . 1 1 91 91 GLN H H 1 8.58 0.0300 . 1 . . . . . 104 GLN H . 15943 1 1005 . 1 1 91 91 GLN HA H 1 3.92 0.0300 . 1 . . . . . 104 GLN HA . 15943 1 1006 . 1 1 91 91 GLN HB2 H 1 2.06 0.0300 . 2 . . . . . 104 GLN HB2 . 15943 1 1007 . 1 1 91 91 GLN HB3 H 1 1.92 0.0300 . 2 . . . . . 104 GLN HB3 . 15943 1 1008 . 1 1 91 91 GLN HE21 H 1 6.87 0.0300 . 2 . . . . . 104 GLN HE21 . 15943 1 1009 . 1 1 91 91 GLN HE22 H 1 7.45 0.0300 . 2 . . . . . 104 GLN HE22 . 15943 1 1010 . 1 1 91 91 GLN HG2 H 1 2.40 0.0300 . 2 . . . . . 104 GLN HG2 . 15943 1 1011 . 1 1 91 91 GLN HG3 H 1 2.40 0.0300 . 2 . . . . . 104 GLN HG3 . 15943 1 1012 . 1 1 91 91 GLN C C 13 178.60 0.4000 . 1 . . . . . 104 GLN C . 15943 1 1013 . 1 1 91 91 GLN CA C 13 59.49 0.4000 . 1 . . . . . 104 GLN CA . 15943 1 1014 . 1 1 91 91 GLN CB C 13 27.79 0.4000 . 1 . . . . . 104 GLN CB . 15943 1 1015 . 1 1 91 91 GLN CG C 13 33.84 0.4000 . 1 . . . . . 104 GLN CG . 15943 1 1016 . 1 1 91 91 GLN N N 15 119.29 0.4000 . 1 . . . . . 104 GLN N . 15943 1 1017 . 1 1 91 91 GLN NE2 N 15 112.00 0.4000 . 1 . . . . . 104 GLN NE2 . 15943 1 1018 . 1 1 92 92 SER H H 1 8.03 0.0300 . 1 . . . . . 105 SER H . 15943 1 1019 . 1 1 92 92 SER HA H 1 4.19 0.0300 . 1 . . . . . 105 SER HA . 15943 1 1020 . 1 1 92 92 SER HB2 H 1 4.06 0.0300 . 2 . . . . . 105 SER HB2 . 15943 1 1021 . 1 1 92 92 SER HB3 H 1 4.06 0.0300 . 2 . . . . . 105 SER HB3 . 15943 1 1022 . 1 1 92 92 SER C C 13 176.93 0.4000 . 1 . . . . . 105 SER C . 15943 1 1023 . 1 1 92 92 SER CA C 13 61.49 0.4000 . 1 . . . . . 105 SER CA . 15943 1 1024 . 1 1 92 92 SER CB C 13 62.44 0.4000 . 1 . . . . . 105 SER CB . 15943 1 1025 . 1 1 92 92 SER N N 15 116.12 0.4000 . 1 . . . . . 105 SER N . 15943 1 1026 . 1 1 93 93 ARG H H 1 7.30 0.0300 . 1 . . . . . 106 ARG H . 15943 1 1027 . 1 1 93 93 ARG HA H 1 2.63 0.0300 . 1 . . . . . 106 ARG HA . 15943 1 1028 . 1 1 93 93 ARG C C 13 177.29 0.4000 . 1 . . . . . 106 ARG C . 15943 1 1029 . 1 1 93 93 ARG CA C 13 58.67 0.4000 . 1 . . . . . 106 ARG CA . 15943 1 1030 . 1 1 93 93 ARG N N 15 122.95 0.4000 . 1 . . . . . 106 ARG N . 15943 1 1031 . 1 1 94 94 GLU H H 1 7.70 0.0300 . 1 . . . . . 107 GLU H . 15943 1 1032 . 1 1 94 94 GLU HA H 1 3.72 0.0300 . 1 . . . . . 107 GLU HA . 15943 1 1033 . 1 1 94 94 GLU HB2 H 1 2.11 0.0300 . 2 . . . . . 107 GLU HB2 . 15943 1 1034 . 1 1 94 94 GLU HB3 H 1 2.02 0.0300 . 2 . . . . . 107 GLU HB3 . 15943 1 1035 . 1 1 94 94 GLU HG2 H 1 2.26 0.0300 . 2 . . . . . 107 GLU HG2 . 15943 1 1036 . 1 1 94 94 GLU HG3 H 1 2.26 0.0300 . 2 . . . . . 107 GLU HG3 . 15943 1 1037 . 1 1 94 94 GLU C C 13 179.73 0.4000 . 1 . . . . . 107 GLU C . 15943 1 1038 . 1 1 94 94 GLU CA C 13 59.10 0.4000 . 1 . . . . . 107 GLU CA . 15943 1 1039 . 1 1 94 94 GLU CB C 13 28.57 0.4000 . 1 . . . . . 107 GLU CB . 15943 1 1040 . 1 1 94 94 GLU CG C 13 36.26 0.4000 . 1 . . . . . 107 GLU CG . 15943 1 1041 . 1 1 94 94 GLU N N 15 119.37 0.4000 . 1 . . . . . 107 GLU N . 15943 1 1042 . 1 1 95 95 THR H H 1 7.62 0.0300 . 1 . . . . . 108 THR H . 15943 1 1043 . 1 1 95 95 THR HA H 1 3.95 0.0300 . 1 . . . . . 108 THR HA . 15943 1 1044 . 1 1 95 95 THR HB H 1 4.24 0.0300 . 1 . . . . . 108 THR HB . 15943 1 1045 . 1 1 95 95 THR HG21 H 1 1.25 0.0300 . 1 . . . . . 108 THR HG2 . 15943 1 1046 . 1 1 95 95 THR HG22 H 1 1.25 0.0300 . 1 . . . . . 108 THR HG2 . 15943 1 1047 . 1 1 95 95 THR HG23 H 1 1.25 0.0300 . 1 . . . . . 108 THR HG2 . 15943 1 1048 . 1 1 95 95 THR C C 13 176.61 0.4000 . 1 . . . . . 108 THR C . 15943 1 1049 . 1 1 95 95 THR CA C 13 65.94 0.4000 . 1 . . . . . 108 THR CA . 15943 1 1050 . 1 1 95 95 THR CB C 13 68.30 0.4000 . 1 . . . . . 108 THR CB . 15943 1 1051 . 1 1 95 95 THR CG2 C 13 22.36 0.4000 . 1 . . . . . 108 THR CG2 . 15943 1 1052 . 1 1 95 95 THR N N 15 116.83 0.4000 . 1 . . . . . 108 THR N . 15943 1 1053 . 1 1 96 96 GLY H H 1 7.61 0.0300 . 1 . . . . . 109 GLY H . 15943 1 1054 . 1 1 96 96 GLY HA2 H 1 4.18 0.0300 . 2 . . . . . 109 GLY HA2 . 15943 1 1055 . 1 1 96 96 GLY HA3 H 1 3.96 0.0300 . 2 . . . . . 109 GLY HA3 . 15943 1 1056 . 1 1 96 96 GLY C C 13 175.59 0.4000 . 1 . . . . . 109 GLY C . 15943 1 1057 . 1 1 96 96 GLY CA C 13 47.86 0.4000 . 1 . . . . . 109 GLY CA . 15943 1 1058 . 1 1 96 96 GLY N N 15 112.23 0.4000 . 1 . . . . . 109 GLY N . 15943 1 1059 . 1 1 97 97 ILE H H 1 7.96 0.0300 . 1 . . . . . 110 ILE H . 15943 1 1060 . 1 1 97 97 ILE HA H 1 2.82 0.0300 . 1 . . . . . 110 ILE HA . 15943 1 1061 . 1 1 97 97 ILE HB H 1 1.41 0.0300 . 1 . . . . . 110 ILE HB . 15943 1 1062 . 1 1 97 97 ILE HD11 H 1 -0.21 0.0300 . 1 . . . . . 110 ILE HD1 . 15943 1 1063 . 1 1 97 97 ILE HD12 H 1 -0.21 0.0300 . 1 . . . . . 110 ILE HD1 . 15943 1 1064 . 1 1 97 97 ILE HD13 H 1 -0.21 0.0300 . 1 . . . . . 110 ILE HD1 . 15943 1 1065 . 1 1 97 97 ILE HG12 H 1 0.92 0.0300 . 2 . . . . . 110 ILE HG12 . 15943 1 1066 . 1 1 97 97 ILE HG13 H 1 0.92 0.0300 . 2 . . . . . 110 ILE HG13 . 15943 1 1067 . 1 1 97 97 ILE HG21 H 1 0.32 0.0300 . 1 . . . . . 110 ILE HG2 . 15943 1 1068 . 1 1 97 97 ILE HG22 H 1 0.32 0.0300 . 1 . . . . . 110 ILE HG2 . 15943 1 1069 . 1 1 97 97 ILE HG23 H 1 0.32 0.0300 . 1 . . . . . 110 ILE HG2 . 15943 1 1070 . 1 1 97 97 ILE C C 13 177.32 0.4000 . 1 . . . . . 110 ILE C . 15943 1 1071 . 1 1 97 97 ILE CA C 13 65.87 0.4000 . 1 . . . . . 110 ILE CA . 15943 1 1072 . 1 1 97 97 ILE CB C 13 37.25 0.4000 . 1 . . . . . 110 ILE CB . 15943 1 1073 . 1 1 97 97 ILE CD1 C 13 14.37 0.4000 . 1 . . . . . 110 ILE CD1 . 15943 1 1074 . 1 1 97 97 ILE CG1 C 13 28.86 0.4000 . 1 . . . . . 110 ILE CG1 . 15943 1 1075 . 1 1 97 97 ILE CG2 C 13 13.53 0.4000 . 1 . . . . . 110 ILE CG2 . 15943 1 1076 . 1 1 97 97 ILE N N 15 123.97 0.4000 . 1 . . . . . 110 ILE N . 15943 1 1077 . 1 1 98 98 ALA H H 1 7.55 0.0300 . 1 . . . . . 111 ALA H . 15943 1 1078 . 1 1 98 98 ALA HA H 1 3.84 0.0300 . 1 . . . . . 111 ALA HA . 15943 1 1079 . 1 1 98 98 ALA HB1 H 1 1.42 0.0300 . 1 . . . . . 111 ALA HB . 15943 1 1080 . 1 1 98 98 ALA HB2 H 1 1.42 0.0300 . 1 . . . . . 111 ALA HB . 15943 1 1081 . 1 1 98 98 ALA HB3 H 1 1.42 0.0300 . 1 . . . . . 111 ALA HB . 15943 1 1082 . 1 1 98 98 ALA C C 13 180.58 0.4000 . 1 . . . . . 111 ALA C . 15943 1 1083 . 1 1 98 98 ALA CA C 13 55.00 0.4000 . 1 . . . . . 111 ALA CA . 15943 1 1084 . 1 1 98 98 ALA CB C 13 17.60 0.4000 . 1 . . . . . 111 ALA CB . 15943 1 1085 . 1 1 98 98 ALA N N 15 119.84 0.4000 . 1 . . . . . 111 ALA N . 15943 1 1086 . 1 1 99 99 SER H H 1 8.10 0.0300 . 1 . . . . . 112 SER H . 15943 1 1087 . 1 1 99 99 SER HA H 1 4.28 0.0300 . 1 . . . . . 112 SER HA . 15943 1 1088 . 1 1 99 99 SER HB2 H 1 4.08 0.0300 . 2 . . . . . 112 SER HB2 . 15943 1 1089 . 1 1 99 99 SER HB3 H 1 4.18 0.0300 . 2 . . . . . 112 SER HB3 . 15943 1 1090 . 1 1 99 99 SER C C 13 177.86 0.4000 . 1 . . . . . 112 SER C . 15943 1 1091 . 1 1 99 99 SER CA C 13 61.72 0.4000 . 1 . . . . . 112 SER CA . 15943 1 1092 . 1 1 99 99 SER CB C 13 62.94 0.4000 . 1 . . . . . 112 SER CB . 15943 1 1093 . 1 1 99 99 SER N N 15 114.65 0.4000 . 1 . . . . . 112 SER N . 15943 1 1094 . 1 1 100 100 VAL H H 1 8.46 0.0300 . 1 . . . . . 113 VAL H . 15943 1 1095 . 1 1 100 100 VAL HA H 1 3.58 0.0300 . 1 . . . . . 113 VAL HA . 15943 1 1096 . 1 1 100 100 VAL HB H 1 2.58 0.0300 . 1 . . . . . 113 VAL HB . 15943 1 1097 . 1 1 100 100 VAL HG11 H 1 1.21 0.0300 . 2 . . . . . 113 VAL HG1 . 15943 1 1098 . 1 1 100 100 VAL HG12 H 1 1.21 0.0300 . 2 . . . . . 113 VAL HG1 . 15943 1 1099 . 1 1 100 100 VAL HG13 H 1 1.21 0.0300 . 2 . . . . . 113 VAL HG1 . 15943 1 1100 . 1 1 100 100 VAL HG21 H 1 1.35 0.0300 . 2 . . . . . 113 VAL HG2 . 15943 1 1101 . 1 1 100 100 VAL HG22 H 1 1.35 0.0300 . 2 . . . . . 113 VAL HG2 . 15943 1 1102 . 1 1 100 100 VAL HG23 H 1 1.35 0.0300 . 2 . . . . . 113 VAL HG2 . 15943 1 1103 . 1 1 100 100 VAL C C 13 177.95 0.4000 . 1 . . . . . 113 VAL C . 15943 1 1104 . 1 1 100 100 VAL CA C 13 67.56 0.4000 . 1 . . . . . 113 VAL CA . 15943 1 1105 . 1 1 100 100 VAL CB C 13 30.95 0.4000 . 1 . . . . . 113 VAL CB . 15943 1 1106 . 1 1 100 100 VAL CG1 C 13 22.84 0.4000 . 1 . . . . . 113 VAL CG1 . 15943 1 1107 . 1 1 100 100 VAL CG2 C 13 25.41 0.4000 . 1 . . . . . 113 VAL CG2 . 15943 1 1108 . 1 1 100 100 VAL N N 15 126.00 0.4000 . 1 . . . . . 113 VAL N . 15943 1 1109 . 1 1 101 101 LYS H H 1 8.55 0.0300 . 1 . . . . . 114 LYS H . 15943 1 1110 . 1 1 101 101 LYS HA H 1 3.92 0.0300 . 1 . . . . . 114 LYS HA . 15943 1 1111 . 1 1 101 101 LYS HB2 H 1 1.76 0.0300 . 2 . . . . . 114 LYS HB2 . 15943 1 1112 . 1 1 101 101 LYS HB3 H 1 1.76 0.0300 . 2 . . . . . 114 LYS HB3 . 15943 1 1113 . 1 1 101 101 LYS HD2 H 1 1.49 0.0300 . 2 . . . . . 114 LYS HD2 . 15943 1 1114 . 1 1 101 101 LYS HD3 H 1 1.36 0.0300 . 2 . . . . . 114 LYS HD3 . 15943 1 1115 . 1 1 101 101 LYS HE2 H 1 2.52 0.0300 . 2 . . . . . 114 LYS HE2 . 15943 1 1116 . 1 1 101 101 LYS HE3 H 1 2.30 0.0300 . 2 . . . . . 114 LYS HE3 . 15943 1 1117 . 1 1 101 101 LYS HG2 H 1 1.50 0.0300 . 2 . . . . . 114 LYS HG2 . 15943 1 1118 . 1 1 101 101 LYS HG3 H 1 1.50 0.0300 . 2 . . . . . 114 LYS HG3 . 15943 1 1119 . 1 1 101 101 LYS C C 13 179.14 0.4000 . 1 . . . . . 114 LYS C . 15943 1 1120 . 1 1 101 101 LYS CA C 13 59.85 0.4000 . 1 . . . . . 114 LYS CA . 15943 1 1121 . 1 1 101 101 LYS CB C 13 33.17 0.4000 . 1 . . . . . 114 LYS CB . 15943 1 1122 . 1 1 101 101 LYS CD C 13 30.46 0.4000 . 1 . . . . . 114 LYS CD . 15943 1 1123 . 1 1 101 101 LYS CE C 13 41.91 0.4000 . 1 . . . . . 114 LYS CE . 15943 1 1124 . 1 1 101 101 LYS CG C 13 25.34 0.4000 . 1 . . . . . 114 LYS CG . 15943 1 1125 . 1 1 101 101 LYS N N 15 121.24 0.4000 . 1 . . . . . 114 LYS N . 15943 1 1126 . 1 1 102 102 ALA H H 1 7.74 0.0300 . 1 . . . . . 115 ALA H . 15943 1 1127 . 1 1 102 102 ALA HA H 1 4.22 0.0300 . 1 . . . . . 115 ALA HA . 15943 1 1128 . 1 1 102 102 ALA HB1 H 1 1.47 0.0300 . 1 . . . . . 115 ALA HB . 15943 1 1129 . 1 1 102 102 ALA HB2 H 1 1.47 0.0300 . 1 . . . . . 115 ALA HB . 15943 1 1130 . 1 1 102 102 ALA HB3 H 1 1.47 0.0300 . 1 . . . . . 115 ALA HB . 15943 1 1131 . 1 1 102 102 ALA C C 13 179.36 0.4000 . 1 . . . . . 115 ALA C . 15943 1 1132 . 1 1 102 102 ALA CA C 13 54.14 0.4000 . 1 . . . . . 115 ALA CA . 15943 1 1133 . 1 1 102 102 ALA CB C 13 19.53 0.4000 . 1 . . . . . 115 ALA CB . 15943 1 1134 . 1 1 102 102 ALA N N 15 117.03 0.4000 . 1 . . . . . 115 ALA N . 15943 1 1135 . 1 1 103 103 ASN H H 1 8.02 0.0300 . 1 . . . . . 116 ASN H . 15943 1 1136 . 1 1 103 103 ASN HA H 1 4.81 0.0300 . 1 . . . . . 116 ASN HA . 15943 1 1137 . 1 1 103 103 ASN HB2 H 1 2.46 0.0300 . 2 . . . . . 116 ASN HB2 . 15943 1 1138 . 1 1 103 103 ASN HB3 H 1 2.33 0.0300 . 2 . . . . . 116 ASN HB3 . 15943 1 1139 . 1 1 103 103 ASN C C 13 176.14 0.4000 . 1 . . . . . 116 ASN C . 15943 1 1140 . 1 1 103 103 ASN CA C 13 54.54 0.4000 . 1 . . . . . 116 ASN CA . 15943 1 1141 . 1 1 103 103 ASN CB C 13 41.14 0.4000 . 1 . . . . . 116 ASN CB . 15943 1 1142 . 1 1 103 103 ASN N N 15 112.02 0.4000 . 1 . . . . . 116 ASN N . 15943 1 1143 . 1 1 104 104 GLY H H 1 8.76 0.0300 . 1 . . . . . 117 GLY H . 15943 1 1144 . 1 1 104 104 GLY HA2 H 1 3.92 0.0300 . 2 . . . . . 117 GLY HA2 . 15943 1 1145 . 1 1 104 104 GLY HA3 H 1 3.68 0.0300 . 2 . . . . . 117 GLY HA3 . 15943 1 1146 . 1 1 104 104 GLY C C 13 171.57 0.4000 . 1 . . . . . 117 GLY C . 15943 1 1147 . 1 1 104 104 GLY CA C 13 47.00 0.4000 . 1 . . . . . 117 GLY CA . 15943 1 1148 . 1 1 104 104 GLY N N 15 109.28 0.4000 . 1 . . . . . 117 GLY N . 15943 1 1149 . 1 1 105 105 THR H H 1 7.02 0.0300 . 1 . . . . . 118 THR H . 15943 1 1150 . 1 1 105 105 THR HA H 1 4.62 0.0300 . 1 . . . . . 118 THR HA . 15943 1 1151 . 1 1 105 105 THR HB H 1 4.29 0.0300 . 1 . . . . . 118 THR HB . 15943 1 1152 . 1 1 105 105 THR HG21 H 1 1.37 0.0300 . 1 . . . . . 118 THR HG2 . 15943 1 1153 . 1 1 105 105 THR HG22 H 1 1.37 0.0300 . 1 . . . . . 118 THR HG2 . 15943 1 1154 . 1 1 105 105 THR HG23 H 1 1.37 0.0300 . 1 . . . . . 118 THR HG2 . 15943 1 1155 . 1 1 105 105 THR C C 13 175.29 0.4000 . 1 . . . . . 118 THR C . 15943 1 1156 . 1 1 105 105 THR CA C 13 60.46 0.4000 . 1 . . . . . 118 THR CA . 15943 1 1157 . 1 1 105 105 THR CB C 13 69.13 0.4000 . 1 . . . . . 118 THR CB . 15943 1 1158 . 1 1 105 105 THR CG2 C 13 22.18 0.4000 . 1 . . . . . 118 THR CG2 . 15943 1 1159 . 1 1 105 105 THR N N 15 101.92 0.4000 . 1 . . . . . 118 THR N . 15943 1 1160 . 1 1 106 106 SER H H 1 7.79 0.0300 . 1 . . . . . 119 SER H . 15943 1 1161 . 1 1 106 106 SER HA H 1 4.21 0.0300 . 1 . . . . . 119 SER HA . 15943 1 1162 . 1 1 106 106 SER HB2 H 1 3.85 0.0300 . 2 . . . . . 119 SER HB2 . 15943 1 1163 . 1 1 106 106 SER HB3 H 1 3.85 0.0300 . 2 . . . . . 119 SER HB3 . 15943 1 1164 . 1 1 106 106 SER C C 13 175.82 0.4000 . 1 . . . . . 119 SER C . 15943 1 1165 . 1 1 106 106 SER CA C 13 59.89 0.4000 . 1 . . . . . 119 SER CA . 15943 1 1166 . 1 1 106 106 SER CB C 13 63.71 0.4000 . 1 . . . . . 119 SER CB . 15943 1 1167 . 1 1 106 106 SER N N 15 116.50 0.4000 . 1 . . . . . 119 SER N . 15943 1 1168 . 1 1 107 107 GLN H H 1 9.03 0.0300 . 1 . . . . . 120 GLN H . 15943 1 1169 . 1 1 107 107 GLN HA H 1 4.21 0.0300 . 1 . . . . . 120 GLN HA . 15943 1 1170 . 1 1 107 107 GLN HB2 H 1 2.00 0.0300 . 2 . . . . . 120 GLN HB2 . 15943 1 1171 . 1 1 107 107 GLN HB3 H 1 2.40 0.0300 . 2 . . . . . 120 GLN HB3 . 15943 1 1172 . 1 1 107 107 GLN HE21 H 1 6.83 0.0300 . 2 . . . . . 120 GLN HE21 . 15943 1 1173 . 1 1 107 107 GLN HE22 H 1 7.59 0.0300 . 2 . . . . . 120 GLN HE22 . 15943 1 1174 . 1 1 107 107 GLN HG2 H 1 2.54 0.0300 . 2 . . . . . 120 GLN HG2 . 15943 1 1175 . 1 1 107 107 GLN HG3 H 1 2.45 0.0300 . 2 . . . . . 120 GLN HG3 . 15943 1 1176 . 1 1 107 107 GLN C C 13 175.75 0.4000 . 1 . . . . . 120 GLN C . 15943 1 1177 . 1 1 107 107 GLN CA C 13 56.27 0.4000 . 1 . . . . . 120 GLN CA . 15943 1 1178 . 1 1 107 107 GLN CB C 13 29.04 0.4000 . 1 . . . . . 120 GLN CB . 15943 1 1179 . 1 1 107 107 GLN CG C 13 33.93 0.4000 . 1 . . . . . 120 GLN CG . 15943 1 1180 . 1 1 107 107 GLN N N 15 126.36 0.4000 . 1 . . . . . 120 GLN N . 15943 1 1181 . 1 1 107 107 GLN NE2 N 15 111.70 0.4000 . 1 . . . . . 120 GLN NE2 . 15943 1 1182 . 1 1 108 108 THR H H 1 8.52 0.0300 . 1 . . . . . 121 THR H . 15943 1 1183 . 1 1 108 108 THR HA H 1 4.25 0.0300 . 1 . . . . . 121 THR HA . 15943 1 1184 . 1 1 108 108 THR HB H 1 4.26 0.0300 . 1 . . . . . 121 THR HB . 15943 1 1185 . 1 1 108 108 THR HG21 H 1 1.19 0.0300 . 1 . . . . . 121 THR HG2 . 15943 1 1186 . 1 1 108 108 THR HG22 H 1 1.19 0.0300 . 1 . . . . . 121 THR HG2 . 15943 1 1187 . 1 1 108 108 THR HG23 H 1 1.19 0.0300 . 1 . . . . . 121 THR HG2 . 15943 1 1188 . 1 1 108 108 THR C C 13 173.01 0.4000 . 1 . . . . . 121 THR C . 15943 1 1189 . 1 1 108 108 THR CA C 13 63.74 0.4000 . 1 . . . . . 121 THR CA . 15943 1 1190 . 1 1 108 108 THR CB C 13 69.10 0.4000 . 1 . . . . . 121 THR CB . 15943 1 1191 . 1 1 108 108 THR CG2 C 13 22.29 0.4000 . 1 . . . . . 121 THR CG2 . 15943 1 1192 . 1 1 108 108 THR N N 15 119.46 0.4000 . 1 . . . . . 121 THR N . 15943 1 1193 . 1 1 109 109 VAL H H 1 8.72 0.0300 . 1 . . . . . 122 VAL H . 15943 1 1194 . 1 1 109 109 VAL HA H 1 4.79 0.0300 . 1 . . . . . 122 VAL HA . 15943 1 1195 . 1 1 109 109 VAL HB H 1 2.02 0.0300 . 1 . . . . . 122 VAL HB . 15943 1 1196 . 1 1 109 109 VAL HG11 H 1 0.79 0.0300 . 2 . . . . . 122 VAL HG1 . 15943 1 1197 . 1 1 109 109 VAL HG12 H 1 0.79 0.0300 . 2 . . . . . 122 VAL HG1 . 15943 1 1198 . 1 1 109 109 VAL HG13 H 1 0.79 0.0300 . 2 . . . . . 122 VAL HG1 . 15943 1 1199 . 1 1 109 109 VAL HG21 H 1 0.70 0.0300 . 2 . . . . . 122 VAL HG2 . 15943 1 1200 . 1 1 109 109 VAL HG22 H 1 0.70 0.0300 . 2 . . . . . 122 VAL HG2 . 15943 1 1201 . 1 1 109 109 VAL HG23 H 1 0.70 0.0300 . 2 . . . . . 122 VAL HG2 . 15943 1 1202 . 1 1 109 109 VAL C C 13 175.65 0.4000 . 1 . . . . . 122 VAL C . 15943 1 1203 . 1 1 109 109 VAL CA C 13 61.02 0.4000 . 1 . . . . . 122 VAL CA . 15943 1 1204 . 1 1 109 109 VAL CB C 13 34.21 0.4000 . 1 . . . . . 122 VAL CB . 15943 1 1205 . 1 1 109 109 VAL CG1 C 13 21.16 0.4000 . 1 . . . . . 122 VAL CG1 . 15943 1 1206 . 1 1 109 109 VAL CG2 C 13 20.65 0.4000 . 1 . . . . . 122 VAL CG2 . 15943 1 1207 . 1 1 109 109 VAL N N 15 127.88 0.4000 . 1 . . . . . 122 VAL N . 15943 1 1208 . 1 1 110 110 LYS H H 1 9.45 0.0300 . 1 . . . . . 123 LYS H . 15943 1 1209 . 1 1 110 110 LYS HA H 1 4.53 0.0300 . 1 . . . . . 123 LYS HA . 15943 1 1210 . 1 1 110 110 LYS HB2 H 1 1.91 0.0300 . 2 . . . . . 123 LYS HB2 . 15943 1 1211 . 1 1 110 110 LYS HB3 H 1 1.91 0.0300 . 2 . . . . . 123 LYS HB3 . 15943 1 1212 . 1 1 110 110 LYS HD2 H 1 1.51 0.0300 . 2 . . . . . 123 LYS HD2 . 15943 1 1213 . 1 1 110 110 LYS HD3 H 1 1.31 0.0300 . 2 . . . . . 123 LYS HD3 . 15943 1 1214 . 1 1 110 110 LYS HE2 H 1 2.39 0.0300 . 2 . . . . . 123 LYS HE2 . 15943 1 1215 . 1 1 110 110 LYS HE3 H 1 1.94 0.0300 . 2 . . . . . 123 LYS HE3 . 15943 1 1216 . 1 1 110 110 LYS HG2 H 1 1.26 0.0300 . 2 . . . . . 123 LYS HG2 . 15943 1 1217 . 1 1 110 110 LYS HG3 H 1 1.26 0.0300 . 2 . . . . . 123 LYS HG3 . 15943 1 1218 . 1 1 110 110 LYS C C 13 174.33 0.4000 . 1 . . . . . 123 LYS C . 15943 1 1219 . 1 1 110 110 LYS CA C 13 55.49 0.4000 . 1 . . . . . 123 LYS CA . 15943 1 1220 . 1 1 110 110 LYS CB C 13 32.87 0.4000 . 1 . . . . . 123 LYS CB . 15943 1 1221 . 1 1 110 110 LYS CD C 13 29.34 0.4000 . 1 . . . . . 123 LYS CD . 15943 1 1222 . 1 1 110 110 LYS CE C 13 41.59 0.4000 . 1 . . . . . 123 LYS CE . 15943 1 1223 . 1 1 110 110 LYS CG C 13 25.10 0.4000 . 1 . . . . . 123 LYS CG . 15943 1 1224 . 1 1 110 110 LYS N N 15 128.88 0.4000 . 1 . . . . . 123 LYS N . 15943 1 1225 . 1 1 111 111 ASP H H 1 8.98 0.0300 . 1 . . . . . 124 ASP H . 15943 1 1226 . 1 1 111 111 ASP HA H 1 4.85 0.0300 . 1 . . . . . 124 ASP HA . 15943 1 1227 . 1 1 111 111 ASP HB2 H 1 3.09 0.0300 . 2 . . . . . 124 ASP HB2 . 15943 1 1228 . 1 1 111 111 ASP HB3 H 1 2.51 0.0300 . 2 . . . . . 124 ASP HB3 . 15943 1 1229 . 1 1 111 111 ASP C C 13 176.78 0.4000 . 1 . . . . . 124 ASP C . 15943 1 1230 . 1 1 111 111 ASP CA C 13 53.32 0.4000 . 1 . . . . . 124 ASP CA . 15943 1 1231 . 1 1 111 111 ASP CB C 13 40.34 0.4000 . 1 . . . . . 124 ASP CB . 15943 1 1232 . 1 1 111 111 ASP N N 15 125.24 0.4000 . 1 . . . . . 124 ASP N . 15943 1 1233 . 1 1 112 112 ASN H H 1 9.05 0.0300 . 1 . . . . . 125 ASN H . 15943 1 1234 . 1 1 112 112 ASN HA H 1 5.28 0.0300 . 1 . . . . . 125 ASN HA . 15943 1 1235 . 1 1 112 112 ASN HB2 H 1 3.27 0.0300 . 2 . . . . . 125 ASN HB2 . 15943 1 1236 . 1 1 112 112 ASN HB3 H 1 2.86 0.0300 . 2 . . . . . 125 ASN HB3 . 15943 1 1237 . 1 1 112 112 ASN HD21 H 1 6.85 0.0300 . 2 . . . . . 125 ASN HD21 . 15943 1 1238 . 1 1 112 112 ASN HD22 H 1 7.49 0.0300 . 2 . . . . . 125 ASN HD22 . 15943 1 1239 . 1 1 112 112 ASN C C 13 177.44 0.4000 . 1 . . . . . 125 ASN C . 15943 1 1240 . 1 1 112 112 ASN CA C 13 52.54 0.4000 . 1 . . . . . 125 ASN CA . 15943 1 1241 . 1 1 112 112 ASN CB C 13 38.60 0.4000 . 1 . . . . . 125 ASN CB . 15943 1 1242 . 1 1 112 112 ASN N N 15 126.39 0.4000 . 1 . . . . . 125 ASN N . 15943 1 1243 . 1 1 112 112 ASN ND2 N 15 111.75 0.4000 . 1 . . . . . 125 ASN ND2 . 15943 1 1244 . 1 1 113 113 THR H H 1 8.67 0.0300 . 1 . . . . . 126 THR H . 15943 1 1245 . 1 1 113 113 THR HA H 1 4.21 0.0300 . 1 . . . . . 126 THR HA . 15943 1 1246 . 1 1 113 113 THR HB H 1 4.46 0.0300 . 1 . . . . . 126 THR HB . 15943 1 1247 . 1 1 113 113 THR HG21 H 1 1.37 0.0300 . 1 . . . . . 126 THR HG2 . 15943 1 1248 . 1 1 113 113 THR HG22 H 1 1.37 0.0300 . 1 . . . . . 126 THR HG2 . 15943 1 1249 . 1 1 113 113 THR HG23 H 1 1.37 0.0300 . 1 . . . . . 126 THR HG2 . 15943 1 1250 . 1 1 113 113 THR C C 13 175.39 0.4000 . 1 . . . . . 126 THR C . 15943 1 1251 . 1 1 113 113 THR CA C 13 64.20 0.4000 . 1 . . . . . 126 THR CA . 15943 1 1252 . 1 1 113 113 THR CB C 13 70.09 0.4000 . 1 . . . . . 126 THR CB . 15943 1 1253 . 1 1 113 113 THR CG2 C 13 22.60 0.4000 . 1 . . . . . 126 THR CG2 . 15943 1 1254 . 1 1 113 113 THR N N 15 111.53 0.4000 . 1 . . . . . 126 THR N . 15943 1 1255 . 1 1 114 114 GLY H H 1 8.50 0.0300 . 1 . . . . . 127 GLY H . 15943 1 1256 . 1 1 114 114 GLY HA2 H 1 4.01 0.0300 . 2 . . . . . 127 GLY HA2 . 15943 1 1257 . 1 1 114 114 GLY HA3 H 1 3.97 0.0300 . 2 . . . . . 127 GLY HA3 . 15943 1 1258 . 1 1 114 114 GLY C C 13 174.09 0.4000 . 1 . . . . . 127 GLY C . 15943 1 1259 . 1 1 114 114 GLY CA C 13 45.36 0.4000 . 1 . . . . . 127 GLY CA . 15943 1 1260 . 1 1 114 114 GLY N N 15 110.68 0.4000 . 1 . . . . . 127 GLY N . 15943 1 1261 . 1 1 115 115 SER H H 1 8.02 0.0300 . 1 . . . . . 128 SER H . 15943 1 1262 . 1 1 115 115 SER HA H 1 4.51 0.0300 . 1 . . . . . 128 SER HA . 15943 1 1263 . 1 1 115 115 SER HB2 H 1 3.88 0.0300 . 2 . . . . . 128 SER HB2 . 15943 1 1264 . 1 1 115 115 SER HB3 H 1 3.88 0.0300 . 2 . . . . . 128 SER HB3 . 15943 1 1265 . 1 1 115 115 SER C C 13 174.43 0.4000 . 1 . . . . . 128 SER C . 15943 1 1266 . 1 1 115 115 SER CA C 13 58.16 0.4000 . 1 . . . . . 128 SER CA . 15943 1 1267 . 1 1 115 115 SER CB C 13 64.10 0.4000 . 1 . . . . . 128 SER CB . 15943 1 1268 . 1 1 115 115 SER N N 15 114.96 0.4000 . 1 . . . . . 128 SER N . 15943 1 1269 . 1 1 116 116 ASN H H 1 8.06 0.0300 . 1 . . . . . 129 ASN H . 15943 1 1270 . 1 1 116 116 ASN N N 15 121.83 0.4000 . 1 . . . . . 129 ASN N . 15943 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_Amide_N-NOESY _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Amide_N-NOESY _Spectral_peak_list.Entry_ID 15943 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 9 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . . 3607.614 . . . . . . . 15943 1 2 . . N 15 N . . 2919.708 . . . . . . . 15943 1 3 . . H 1 H . . 11160.714 . . . . . . . 15943 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 1.03E7 . volume 15943 1 2 9110000.0 . volume 15943 1 3 8640000.0 . volume 15943 1 4 9030000.0 . volume 15943 1 5 1.68E7 . volume 15943 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 119.732 . . . . . . . . . . . . . 15943 1 1 2 8.231 . . . . . . . . . . . . . 15943 1 1 3 7.849 . . . . . . . . . . . . . 15943 1 2 1 126.019 . . . . . . . . . . . . . 15943 1 2 2 8.265 . . . . . . . . . . . . . 15943 1 2 3 8.44 . . . . . . . . . . . . . 15943 1 3 1 126.019 . . . . . . . . . . . . . 15943 1 3 2 5.885 . . . . . . . . . . . . . 15943 1 3 3 8.425 . . . . . . . . . . . . . 15943 1 4 1 126.019 . . . . . . . . . . . . . 15943 1 4 2 0.637 . . . . . . . . . . . . . 15943 1 4 3 8.455 . . . . . . . . . . . . . 15943 1 5 1 124.53 . . . . . . . . . . . . . 15943 1 5 2 7.917 . . . . . . . . . . . . . 15943 1 5 3 8.472 . . . . . . . . . . . . . 15943 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 . . . 119.732 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 1 1 2 . . . 8.231 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 1 2 1 . . . 126.019 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 1 2 2 . . . 8.265 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 1 3 1 . . . 126.019 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 1 3 2 . . . 5.885 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 1 4 1 . . . 126.019 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 1 4 2 . . . 0.637 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 1 5 1 . . . 124.53 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 1 5 2 . . . 7.917 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 1 stop_ save_ save_Aliphatic_C-CNOESY _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Aliphatic_C-CNOESY _Spectral_peak_list.Entry_ID 15943 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 10 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 Aliphatics . . 6009.615 . . . . . . . 15943 2 2 . . C 13 Aliphatics . . 13071.895 . . . . . . . 15943 2 3 . . H 1 H . . 11198.208 . . . . . . . 15943 2 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 1.03E7 . volume 15943 2 2 1.65E7 . volume 15943 2 3 2.54E7 . volume 15943 2 4 3.21E7 . volume 15943 2 5 8900000.0 . volume 15943 2 6 3.69E7 . volume 15943 2 7 2.69E7 . volume 15943 2 8 8000000.0 . volume 15943 2 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 45.239 . . . . . . . . . . . . . 15943 2 1 2 0.874 . . . . . . . . . . . . . 15943 2 1 3 3.928 . . . . . . . . . . . . . 15943 2 2 1 32.713 . . . . . . . . . . . . . 15943 2 2 2 1.44 . . . . . . . . . . . . . 15943 2 2 3 2.055 . . . . . . . . . . . . . 15943 2 3 1 21.287 . . . . . . . . . . . . . 15943 2 3 2 1.463 . . . . . . . . . . . . . 15943 2 3 3 0.866 . . . . . . . . . . . . . 15943 2 4 1 21.287 . . . . . . . . . . . . . 15943 2 4 2 2.012 . . . . . . . . . . . . . 15943 2 4 3 0.864 . . . . . . . . . . . . . 15943 2 5 1 21.287 . . . . . . . . . . . . . 15943 2 5 2 4.315 . . . . . . . . . . . . . 15943 2 5 3 0.866 . . . . . . . . . . . . . 15943 2 6 1 20.831 . . . . . . . . . . . . . 15943 2 6 2 1.29 . . . . . . . . . . . . . 15943 2 6 3 0.886 . . . . . . . . . . . . . 15943 2 7 1 20.831 . . . . . . . . . . . . . 15943 2 7 2 1.449 . . . . . . . . . . . . . 15943 2 7 3 0.888 . . . . . . . . . . . . . 15943 2 8 1 60.774 . . . . . . . . . . . . . 15943 2 8 2 8.134 . . . . . . . . . . . . . 15943 2 8 3 4.192 . . . . . . . . . . . . . 15943 2 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 . . . 45.239 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 2 1 2 . . . 0.874 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 2 2 1 . . . 32.713 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 2 2 2 . . . 1.44 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 2 3 1 . . . 21.287 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 2 3 2 . . . 1.463 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 2 4 1 . . . 21.287 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 2 4 2 . . . 2.012 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 2 5 1 . . . 21.287 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 2 5 2 . . . 4.315 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 2 6 1 . . . 20.831 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 2 6 2 . . . 1.29 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 2 7 1 . . . 20.831 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 2 7 2 . . . 1.449 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 2 8 1 . . . 60.774 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 2 8 2 . . . 8.134 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 2 stop_ save_ save_Aromatic_C-NOESY _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Aromatic_C-NOESY _Spectral_peak_list.Entry_ID 15943 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 10 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 Aromatics . . 2005.441 . . . . . . . 15943 3 2 . . C 13 Aromatics . . 5434.783 . . . . . . . 15943 3 3 . . H 1 H . . 11198.208 . . . . . . . 15943 3 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 5.32E7 . volume 15943 3 2 2.25E8 . volume 15943 3 3 1.47E7 . volume 15943 3 4 1.84E7 . volume 15943 3 5 1.73E7 . volume 15943 3 6 1.38E7 . volume 15943 3 7 1.89E7 . volume 15943 3 8 1.89E8 . volume 15943 3 9 4.85E7 . volume 15943 3 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 118.986 . . . . . . . . . . . . . 15943 3 1 2 7.241 . . . . . . . . . . . . . 15943 3 1 3 6.914 . . . . . . . . . . . . . 15943 3 2 1 118.986 . . . . . . . . . . . . . 15943 3 2 2 6.918 . . . . . . . . . . . . . 15943 3 2 3 6.913 . . . . . . . . . . . . . 15943 3 3 1 133.804 . . . . . . . . . . . . . 15943 3 3 2 3.356 . . . . . . . . . . . . . 15943 3 3 3 7.241 . . . . . . . . . . . . . 15943 3 4 1 133.804 . . . . . . . . . . . . . 15943 3 4 2 2.804 . . . . . . . . . . . . . 15943 3 4 3 7.241 . . . . . . . . . . . . . 15943 3 5 1 133.804 . . . . . . . . . . . . . 15943 3 5 2 4.044 . . . . . . . . . . . . . 15943 3 5 3 7.241 . . . . . . . . . . . . . 15943 3 6 1 133.804 . . . . . . . . . . . . . 15943 3 6 2 4.868 . . . . . . . . . . . . . 15943 3 6 3 7.24 . . . . . . . . . . . . . 15943 3 7 1 133.804 . . . . . . . . . . . . . 15943 3 7 2 1.224 . . . . . . . . . . . . . 15943 3 7 3 7.238 . . . . . . . . . . . . . 15943 3 8 1 133.804 . . . . . . . . . . . . . 15943 3 8 2 7.258 . . . . . . . . . . . . . 15943 3 8 3 7.239 . . . . . . . . . . . . . 15943 3 9 1 133.804 . . . . . . . . . . . . . 15943 3 9 2 6.918 . . . . . . . . . . . . . 15943 3 9 3 7.24 . . . . . . . . . . . . . 15943 3 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 . . . 118.986 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 1 2 . . . 7.241 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 2 1 . . . 118.986 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 2 2 . . . 6.918 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 3 1 . . . 133.804 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 3 2 . . . 3.356 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 4 1 . . . 133.804 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 4 2 . . . 2.804 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 5 1 . . . 133.804 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 5 2 . . . 4.044 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 6 1 . . . 133.804 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 6 2 . . . 4.868 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 7 1 . . . 133.804 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 7 2 . . . 1.224 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 8 1 . . . 133.804 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 8 2 . . . 7.258 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 9 1 . . . 133.804 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 9 2 . . . 6.918 . . . . . . . . . . . 0 . . . . . . 1 . . 15943 3 stop_ save_