data_5225 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5225 _Entry.Title ; Solution Structure of the Peptidyl-Prolyl-cis/trans-Isomerase Parvulin 10 of Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-11-30 _Entry.Accession_date 2001-12-05 _Entry.Last_release_date 2003-06-09 _Entry.Original_release_date 2003-06-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Angelika Kuhlewein . . . 5225 2 Georg Voll . . . 5225 3 Birte Schelbert . . . 5225 4 Horst Kessler . . . 5225 5 Gunter Fischer . . . 5225 6 Jens Rahfeld . . . 5225 7 Gerd Gemmecker . . . 5225 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5225 coupling_constants 1 5225 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 621 5225 '13C chemical shifts' 408 5225 '15N chemical shifts' 89 5225 'coupling constants' 69 5225 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 1 . . 2003-06-09 2001-11-30 original author . 5225 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4768 'Structure of parvulin hPar14.' 5225 BMRB 4670 'Arabidopsis thaliana PIN1At Protein (prolyl cis/trans isomerase).' 5225 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5225 _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 the Peptidyl-Prolyl-cis/trans-Isomerase Parvulin 10 of Escherichia coli ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _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.Entry_ID _Citation_author.Citation_ID 1 Angelika Kuhlewein . . . 5225 1 2 Georg Voll . . . 5225 1 3 Birte Schelbert . . . 5225 1 4 Horst Kessler . . . 5225 1 5 Gunter Fischer . . . 5225 1 6 Jens Rahfeld . . . 5225 1 7 Gerd Gemmecker . . . 5225 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 5225 1 PPIase 5225 1 parvulin 5225 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Par10 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Par10 _Assembly.Entry_ID 5225 _Assembly.ID 1 _Assembly.Name 'Parvulin 10' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 5.2.1.8 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5225 1 stop_ 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 'parvulin 10' 1 $parvulin_10 . . . native . . . . . 5225 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1JNS . . . . . 'NMR ensemble' 5225 1 . PDB 1JNT . . . . . 'average refined structure' 5225 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Parvulin 10' system 5225 1 Par10 abbreviation 5225 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cis-trans peptidyl prolyl isomerase' 5225 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_parvulin_10 _Entity.Sf_category entity _Entity.Sf_framecode parvulin_10 _Entity.Entry_ID 5225 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Parvulin 10' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AKTAAALHILVKEEKLALDL LEQIKNGADFGKLAKKHSIC PSGKRGGDLGEFRQGQMVPA FDKVVFSCPVLEPTGPLHTQ FGYHIIKVLYRN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10101 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Gly75-Pro76 cis peptide bond' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1JNS . "Nmr Structure Of The E. Coli Peptidyl-Prolyl CisTRANS- Isomerase Parvulin 10" . . . . . 100.00 92 100.00 100.00 8.25e-60 . . . . 5225 1 2 no PDB 1JNT . "Nmr Structure Of The E. Coli Peptidyl-Prolyl CisTRANS- Isomerase Parvulin 10" . . . . . 100.00 92 100.00 100.00 8.25e-60 . . . . 5225 1 3 no DBJ BAB38132 . "peptidyl-prolyl cis-trans isomerase C [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 4 no DBJ BAE77522 . "peptidyl-prolyl cis-trans isomerase C [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 5 no DBJ BAG79582 . "peptidyl-prolyl cis-trans isomerase [Escherichia coli SE11]" . . . . . 100.00 93 98.91 100.00 3.15e-59 . . . . 5225 1 6 no DBJ BAI27969 . "peptidyl-prolyl cis-trans isomerase C [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 7 no DBJ BAI33092 . "peptidyl-prolyl cis-trans isomerase C [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 8 no EMBL CAP78224 . "Peptidyl-prolyl cis-trans isomerase C [Escherichia coli LF82]" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 9 no EMBL CAQ34119 . "peptidyl-prolyl cis-trans isomerase C (rotamase C) [Escherichia coli BL21(DE3)]" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 10 no EMBL CAQ91187 . "peptidyl-prolyl cis-trans isomerase C (rotamase C) [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 11 no EMBL CAR00747 . "peptidyl-prolyl cis-trans isomerase C (rotamase C) [Escherichia coli IAI1]" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 12 no EMBL CAR05395 . "peptidyl-prolyl cis-trans isomerase C (rotamase C) [Escherichia coli S88]" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 13 no GB AAA67578 . "peptidyl-prolyl cis-trans isomerase C [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 14 no GB AAB32054 . "parvulin [Escherichia coli]" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 15 no GB AAC76780 . "peptidyl-prolyl cis-trans isomerase C (rotamase C) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 16 no GB AAG58970 . "peptidyl-prolyl cis-trans isomerase C (rotamase C) [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 17 no GB AAN45287 . "peptidyl-prolyl cis-trans isomerase C (rotamase C) [Shigella flexneri 2a str. 301]" . . . . . 100.00 93 98.91 98.91 8.77e-59 . . . . 5225 1 18 no REF NP_290406 . "peptidyl-prolyl cis-trans isomerase C [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 19 no REF NP_312736 . "peptidyl-prolyl cis-trans isomerase C [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 20 no REF NP_418223 . "peptidyl-prolyl cis-trans isomerase C (rotamase C) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 21 no REF NP_709580 . "peptidyl-prolyl cis-trans isomerase C [Shigella flexneri 2a str. 301]" . . . . . 100.00 93 98.91 98.91 8.77e-59 . . . . 5225 1 22 no REF NP_756555 . "peptidyl-prolyl cis-trans isomerase C [Escherichia coli CFT073]" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 23 no SP P0A9L5 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase C; Short=PPIase C; AltName: Full=Par10; AltName: Full=Parvulin; AltName: Full" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 24 no SP P0A9L6 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase C; Short=PPIase C; AltName: Full=Parvulin; AltName: Full=Rotamase C [Escheric" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 25 no SP P0A9L7 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase C; Short=PPIase C; AltName: Full=Parvulin; AltName: Full=Rotamase C [Escheric" . . . . . 100.00 93 100.00 100.00 8.23e-60 . . . . 5225 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Parvulin 10' common 5225 1 Par10 abbreviation 5225 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 . ALA . 5225 1 2 . LYS . 5225 1 3 . THR . 5225 1 4 . ALA . 5225 1 5 . ALA . 5225 1 6 . ALA . 5225 1 7 . LEU . 5225 1 8 . HIS . 5225 1 9 . ILE . 5225 1 10 . LEU . 5225 1 11 . VAL . 5225 1 12 . LYS . 5225 1 13 . GLU . 5225 1 14 . GLU . 5225 1 15 . LYS . 5225 1 16 . LEU . 5225 1 17 . ALA . 5225 1 18 . LEU . 5225 1 19 . ASP . 5225 1 20 . LEU . 5225 1 21 . LEU . 5225 1 22 . GLU . 5225 1 23 . GLN . 5225 1 24 . ILE . 5225 1 25 . LYS . 5225 1 26 . ASN . 5225 1 27 . GLY . 5225 1 28 . ALA . 5225 1 29 . ASP . 5225 1 30 . PHE . 5225 1 31 . GLY . 5225 1 32 . LYS . 5225 1 33 . LEU . 5225 1 34 . ALA . 5225 1 35 . LYS . 5225 1 36 . LYS . 5225 1 37 . HIS . 5225 1 38 . SER . 5225 1 39 . ILE . 5225 1 40 . CYS . 5225 1 41 . PRO . 5225 1 42 . SER . 5225 1 43 . GLY . 5225 1 44 . LYS . 5225 1 45 . ARG . 5225 1 46 . GLY . 5225 1 47 . GLY . 5225 1 48 . ASP . 5225 1 49 . LEU . 5225 1 50 . GLY . 5225 1 51 . GLU . 5225 1 52 . PHE . 5225 1 53 . ARG . 5225 1 54 . GLN . 5225 1 55 . GLY . 5225 1 56 . GLN . 5225 1 57 . MET . 5225 1 58 . VAL . 5225 1 59 . PRO . 5225 1 60 . ALA . 5225 1 61 . PHE . 5225 1 62 . ASP . 5225 1 63 . LYS . 5225 1 64 . VAL . 5225 1 65 . VAL . 5225 1 66 . PHE . 5225 1 67 . SER . 5225 1 68 . CYS . 5225 1 69 . PRO . 5225 1 70 . VAL . 5225 1 71 . LEU . 5225 1 72 . GLU . 5225 1 73 . PRO . 5225 1 74 . THR . 5225 1 75 . GLY . 5225 1 76 . PRO . 5225 1 77 . LEU . 5225 1 78 . HIS . 5225 1 79 . THR . 5225 1 80 . GLN . 5225 1 81 . PHE . 5225 1 82 . GLY . 5225 1 83 . TYR . 5225 1 84 . HIS . 5225 1 85 . ILE . 5225 1 86 . ILE . 5225 1 87 . LYS . 5225 1 88 . VAL . 5225 1 89 . LEU . 5225 1 90 . TYR . 5225 1 91 . ARG . 5225 1 92 . ASN . 5225 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 . ALA 1 1 5225 1 . LYS 2 2 5225 1 . THR 3 3 5225 1 . ALA 4 4 5225 1 . ALA 5 5 5225 1 . ALA 6 6 5225 1 . LEU 7 7 5225 1 . HIS 8 8 5225 1 . ILE 9 9 5225 1 . LEU 10 10 5225 1 . VAL 11 11 5225 1 . LYS 12 12 5225 1 . GLU 13 13 5225 1 . GLU 14 14 5225 1 . LYS 15 15 5225 1 . LEU 16 16 5225 1 . ALA 17 17 5225 1 . LEU 18 18 5225 1 . ASP 19 19 5225 1 . LEU 20 20 5225 1 . LEU 21 21 5225 1 . GLU 22 22 5225 1 . GLN 23 23 5225 1 . ILE 24 24 5225 1 . LYS 25 25 5225 1 . ASN 26 26 5225 1 . GLY 27 27 5225 1 . ALA 28 28 5225 1 . ASP 29 29 5225 1 . PHE 30 30 5225 1 . GLY 31 31 5225 1 . LYS 32 32 5225 1 . LEU 33 33 5225 1 . ALA 34 34 5225 1 . LYS 35 35 5225 1 . LYS 36 36 5225 1 . HIS 37 37 5225 1 . SER 38 38 5225 1 . ILE 39 39 5225 1 . CYS 40 40 5225 1 . PRO 41 41 5225 1 . SER 42 42 5225 1 . GLY 43 43 5225 1 . LYS 44 44 5225 1 . ARG 45 45 5225 1 . GLY 46 46 5225 1 . GLY 47 47 5225 1 . ASP 48 48 5225 1 . LEU 49 49 5225 1 . GLY 50 50 5225 1 . GLU 51 51 5225 1 . PHE 52 52 5225 1 . ARG 53 53 5225 1 . GLN 54 54 5225 1 . GLY 55 55 5225 1 . GLN 56 56 5225 1 . MET 57 57 5225 1 . VAL 58 58 5225 1 . PRO 59 59 5225 1 . ALA 60 60 5225 1 . PHE 61 61 5225 1 . ASP 62 62 5225 1 . LYS 63 63 5225 1 . VAL 64 64 5225 1 . VAL 65 65 5225 1 . PHE 66 66 5225 1 . SER 67 67 5225 1 . CYS 68 68 5225 1 . PRO 69 69 5225 1 . VAL 70 70 5225 1 . LEU 71 71 5225 1 . GLU 72 72 5225 1 . PRO 73 73 5225 1 . THR 74 74 5225 1 . GLY 75 75 5225 1 . PRO 76 76 5225 1 . LEU 77 77 5225 1 . HIS 78 78 5225 1 . THR 79 79 5225 1 . GLN 80 80 5225 1 . PHE 81 81 5225 1 . GLY 82 82 5225 1 . TYR 83 83 5225 1 . HIS 84 84 5225 1 . ILE 85 85 5225 1 . ILE 86 86 5225 1 . LYS 87 87 5225 1 . VAL 88 88 5225 1 . LEU 89 89 5225 1 . TYR 90 90 5225 1 . ARG 91 91 5225 1 . ASN 92 92 5225 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 5225 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $parvulin_10 . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli K12 . . . . . . . . . . . . . . . parA . . . . 5225 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 5225 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $parvulin_10 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli M15 pREP4 . . . . . . . . . . . plasmid . . pSEP612 . . . . . . 5225 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5225 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Parvulin 10' [U-15N] . . 1 $parvulin_10 . . 0.8 . . mM . . . . 5225 1 2 KCl . . . . . . . 100 . . mM . . . . 5225 1 3 'phosphate buffer' . . . . . . . 10 . . mM . . . . 5225 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5225 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Parvulin 10' '[U-13C; U-15N]' . . 1 $parvulin_10 . . 0.8 . . mM . . . . 5225 2 2 KCl . . . . . . . 100 . . mM . . . . 5225 2 3 'phosphate buffer' . . . . . . . 10 . . mM . . . . 5225 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 5225 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 n/a 5225 1 temperature 297.6 0.1 K 5225 1 'ionic strength' 0.13 0.01 M 5225 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5225 _Software.ID 1 _Software.Name XWINNMR _Software.Version 2.6 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data acquisition' 5225 1 'data processing' 5225 1 stop_ save_ save_SYBYL_TRIAD _Software.Sf_category software _Software.Sf_framecode SYBYL_TRIAD _Software.Entry_ID 5225 _Software.ID 2 _Software.Name SYBYL_TRIAD _Software.Version 6.6 _Software.Details 'Tripos AG, St. Louis MO.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 5225 2 'NOE assignment' 5225 2 stop_ save_ save_PASTA _Software.Sf_category software _Software.Sf_framecode PASTA _Software.Entry_ID 5225 _Software.ID 3 _Software.Name PASTA _Software.Version 1.0/2.0/3.0b _Software.Details ; Leutner M, Gschwind RM, Liermann J, Schwarz C, Gemmecker G, Kessler H., J Biomol NMR 1998, 11(1):31-43 ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'sequential backbone assignment' 5225 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5225 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5225 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5225 _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 NMR_spectrometer_1 BRUKER DMX . 600 . . . 5225 1 2 NMR_spectrometer_2 BRUKER DMX . 750 . . . 5225 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 5225 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5225 1 2 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5225 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5225 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5225 1 5 HA(CACO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5225 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5225 1 7 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5225 1 8 '3D HCCH-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5225 1 9 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5225 1 10 '3D 15N-edited TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5225 1 11 (H)CC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5225 1 12 MEXICO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5225 1 13 '3D 15N-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5225 1 14 '3D 13C-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5225 1 15 '3D double 13C-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5225 1 16 '3D 13C,15N-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5225 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5225 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5225 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5225 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5225 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5225 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HA(CACO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5225 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5225 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5225 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HCCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5225 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5225 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 15N-edited TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5225 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name (H)CC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5225 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name MEXICO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5225 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D 15N-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5225 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D 13C-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5225 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '3D double 13C-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 5225 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D 13C,15N-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5225 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5225 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5225 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5225 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5225 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5225 1 . . 2 $sample_2 . 5225 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.10 0.02 . 1 . . . . . . . . 5225 1 2 . 1 1 1 1 ALA HB1 H 1 1.54 0.02 . 1 . . . . . . . . 5225 1 3 . 1 1 1 1 ALA HB2 H 1 1.54 0.02 . 1 . . . . . . . . 5225 1 4 . 1 1 1 1 ALA HB3 H 1 1.54 0.02 . 1 . . . . . . . . 5225 1 5 . 1 1 1 1 ALA C C 13 174.08 0.1 . 1 . . . . . . . . 5225 1 6 . 1 1 1 1 ALA CA C 13 51.70 0.1 . 1 . . . . . . . . 5225 1 7 . 1 1 1 1 ALA CB C 13 19.85 0.1 . 1 . . . . . . . . 5225 1 8 . 1 1 2 2 LYS H H 1 8.87 0.02 . 1 . . . . . . . . 5225 1 9 . 1 1 2 2 LYS HA H 1 4.64 0.02 . 1 . . . . . . . . 5225 1 10 . 1 1 2 2 LYS HB2 H 1 1.89 0.02 . 1 . . . . . . . . 5225 1 11 . 1 1 2 2 LYS HB3 H 1 1.89 0.02 . 1 . . . . . . . . 5225 1 12 . 1 1 2 2 LYS HG2 H 1 1.45 0.02 . 1 . . . . . . . . 5225 1 13 . 1 1 2 2 LYS HG3 H 1 1.45 0.02 . 1 . . . . . . . . 5225 1 14 . 1 1 2 2 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 5225 1 15 . 1 1 2 2 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 5225 1 16 . 1 1 2 2 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 5225 1 17 . 1 1 2 2 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 5225 1 18 . 1 1 2 2 LYS C C 13 175.62 0.1 . 1 . . . . . . . . 5225 1 19 . 1 1 2 2 LYS CA C 13 56.62 0.1 . 1 . . . . . . . . 5225 1 20 . 1 1 2 2 LYS CB C 13 34.25 0.1 . 1 . . . . . . . . 5225 1 21 . 1 1 2 2 LYS CG C 13 25.21 0.1 . 1 . . . . . . . . 5225 1 22 . 1 1 2 2 LYS CD C 13 29.21 0.1 . 1 . . . . . . . . 5225 1 23 . 1 1 2 2 LYS CE C 13 42.33 0.1 . 1 . . . . . . . . 5225 1 24 . 1 1 2 2 LYS N N 15 121.83 0.05 . 1 . . . . . . . . 5225 1 25 . 1 1 3 3 THR H H 1 8.79 0.02 . 1 . . . . . . . . 5225 1 26 . 1 1 3 3 THR HA H 1 5.21 0.02 . 1 . . . . . . . . 5225 1 27 . 1 1 3 3 THR HB H 1 3.95 0.02 . 1 . . . . . . . . 5225 1 28 . 1 1 3 3 THR HG21 H 1 1.08 0.02 . 1 . . . . . . . . 5225 1 29 . 1 1 3 3 THR HG22 H 1 1.08 0.02 . 1 . . . . . . . . 5225 1 30 . 1 1 3 3 THR HG23 H 1 1.08 0.02 . 1 . . . . . . . . 5225 1 31 . 1 1 3 3 THR C C 13 172.79 0.1 . 1 . . . . . . . . 5225 1 32 . 1 1 3 3 THR CA C 13 60.76 0.1 . 1 . . . . . . . . 5225 1 33 . 1 1 3 3 THR CB C 13 72.47 0.1 . 1 . . . . . . . . 5225 1 34 . 1 1 3 3 THR CG2 C 13 22.56 0.1 . 1 . . . . . . . . 5225 1 35 . 1 1 3 3 THR N N 15 115.71 0.05 . 1 . . . . . . . . 5225 1 36 . 1 1 4 4 ALA H H 1 8.66 0.02 . 1 . . . . . . . . 5225 1 37 . 1 1 4 4 ALA HA H 1 4.65 0.02 . 1 . . . . . . . . 5225 1 38 . 1 1 4 4 ALA HB1 H 1 0.38 0.02 . 1 . . . . . . . . 5225 1 39 . 1 1 4 4 ALA HB2 H 1 0.38 0.02 . 1 . . . . . . . . 5225 1 40 . 1 1 4 4 ALA HB3 H 1 0.38 0.02 . 1 . . . . . . . . 5225 1 41 . 1 1 4 4 ALA C C 13 173.24 0.1 . 1 . . . . . . . . 5225 1 42 . 1 1 4 4 ALA CA C 13 50.52 0.1 . 1 . . . . . . . . 5225 1 43 . 1 1 4 4 ALA CB C 13 23.90 0.1 . 1 . . . . . . . . 5225 1 44 . 1 1 4 4 ALA N N 15 122.87 0.05 . 1 . . . . . . . . 5225 1 45 . 1 1 5 5 ALA H H 1 7.12 0.02 . 1 . . . . . . . . 5225 1 46 . 1 1 5 5 ALA HA H 1 5.02 0.02 . 1 . . . . . . . . 5225 1 47 . 1 1 5 5 ALA HB1 H 1 0.55 0.02 . 1 . . . . . . . . 5225 1 48 . 1 1 5 5 ALA HB2 H 1 0.55 0.02 . 1 . . . . . . . . 5225 1 49 . 1 1 5 5 ALA HB3 H 1 0.55 0.02 . 1 . . . . . . . . 5225 1 50 . 1 1 5 5 ALA C C 13 177.11 0.1 . 1 . . . . . . . . 5225 1 51 . 1 1 5 5 ALA CA C 13 50.26 0.1 . 1 . . . . . . . . 5225 1 52 . 1 1 5 5 ALA CB C 13 21.68 0.1 . 1 . . . . . . . . 5225 1 53 . 1 1 5 5 ALA N N 15 118.04 0.05 . 1 . . . . . . . . 5225 1 54 . 1 1 6 6 ALA H H 1 7.33 0.02 . 1 . . . . . . . . 5225 1 55 . 1 1 6 6 ALA HA H 1 5.11 0.02 . 1 . . . . . . . . 5225 1 56 . 1 1 6 6 ALA HB1 H 1 1.31 0.02 . 1 . . . . . . . . 5225 1 57 . 1 1 6 6 ALA HB2 H 1 1.31 0.02 . 1 . . . . . . . . 5225 1 58 . 1 1 6 6 ALA HB3 H 1 1.31 0.02 . 1 . . . . . . . . 5225 1 59 . 1 1 6 6 ALA C C 13 173.15 0.1 . 1 . . . . . . . . 5225 1 60 . 1 1 6 6 ALA CA C 13 50.87 0.1 . 1 . . . . . . . . 5225 1 61 . 1 1 6 6 ALA CB C 13 23.63 0.1 . 1 . . . . . . . . 5225 1 62 . 1 1 6 6 ALA N N 15 119.90 0.05 . 1 . . . . . . . . 5225 1 63 . 1 1 7 7 LEU H H 1 8.73 0.02 . 1 . . . . . . . . 5225 1 64 . 1 1 7 7 LEU HA H 1 5.45 0.02 . 1 . . . . . . . . 5225 1 65 . 1 1 7 7 LEU HB2 H 1 1.10 0.02 . 2 . . . . . . . . 5225 1 66 . 1 1 7 7 LEU HB3 H 1 1.35 0.02 . 2 . . . . . . . . 5225 1 67 . 1 1 7 7 LEU HD21 H 1 0.84 0.02 . 2 . . . . . . . . 5225 1 68 . 1 1 7 7 LEU HD22 H 1 0.84 0.02 . 2 . . . . . . . . 5225 1 69 . 1 1 7 7 LEU HD23 H 1 0.84 0.02 . 2 . . . . . . . . 5225 1 70 . 1 1 7 7 LEU C C 13 178.01 0.1 . 1 . . . . . . . . 5225 1 71 . 1 1 7 7 LEU CA C 13 52.28 0.1 . 1 . . . . . . . . 5225 1 72 . 1 1 7 7 LEU CB C 13 46.03 0.1 . 1 . . . . . . . . 5225 1 73 . 1 1 7 7 LEU CG C 13 27.46 0.1 . 1 . . . . . . . . 5225 1 74 . 1 1 7 7 LEU CD1 C 13 26.13 0.1 . 2 . . . . . . . . 5225 1 75 . 1 1 7 7 LEU CD2 C 13 23.09 0.1 . 2 . . . . . . . . 5225 1 76 . 1 1 7 7 LEU N N 15 117.02 0.05 . 1 . . . . . . . . 5225 1 77 . 1 1 8 8 HIS H H 1 9.63 0.02 . 1 . . . . . . . . 5225 1 78 . 1 1 8 8 HIS HA H 1 6.35 0.02 . 1 . . . . . . . . 5225 1 79 . 1 1 8 8 HIS HB2 H 1 3.31 0.02 . 2 . . . . . . . . 5225 1 80 . 1 1 8 8 HIS HB3 H 1 3.61 0.02 . 2 . . . . . . . . 5225 1 81 . 1 1 8 8 HIS HD2 H 1 6.93 0.02 . 1 . . . . . . . . 5225 1 82 . 1 1 8 8 HIS C C 13 174.01 0.1 . 1 . . . . . . . . 5225 1 83 . 1 1 8 8 HIS CA C 13 55.10 0.1 . 1 . . . . . . . . 5225 1 84 . 1 1 8 8 HIS CB C 13 37.36 0.1 . 1 . . . . . . . . 5225 1 85 . 1 1 8 8 HIS CD2 C 13 116.12 0.1 . 1 . . . . . . . . 5225 1 86 . 1 1 8 8 HIS N N 15 116.49 0.05 . 1 . . . . . . . . 5225 1 87 . 1 1 9 9 ILE H H 1 9.06 0.02 . 1 . . . . . . . . 5225 1 88 . 1 1 9 9 ILE HA H 1 3.44 0.02 . 1 . . . . . . . . 5225 1 89 . 1 1 9 9 ILE HB H 1 1.30 0.02 . 1 . . . . . . . . 5225 1 90 . 1 1 9 9 ILE HG12 H 1 0.34 0.02 . 2 . . . . . . . . 5225 1 91 . 1 1 9 9 ILE HG13 H 1 1.45 0.02 . 2 . . . . . . . . 5225 1 92 . 1 1 9 9 ILE HG21 H 1 0.56 0.02 . 1 . . . . . . . . 5225 1 93 . 1 1 9 9 ILE HG22 H 1 0.56 0.02 . 1 . . . . . . . . 5225 1 94 . 1 1 9 9 ILE HG23 H 1 0.56 0.02 . 1 . . . . . . . . 5225 1 95 . 1 1 9 9 ILE HD11 H 1 0.01 0.02 . 1 . . . . . . . . 5225 1 96 . 1 1 9 9 ILE HD12 H 1 0.01 0.02 . 1 . . . . . . . . 5225 1 97 . 1 1 9 9 ILE HD13 H 1 0.01 0.02 . 1 . . . . . . . . 5225 1 98 . 1 1 9 9 ILE C C 13 172.39 0.1 . 1 . . . . . . . . 5225 1 99 . 1 1 9 9 ILE CA C 13 62.10 0.1 . 1 . . . . . . . . 5225 1 100 . 1 1 9 9 ILE CB C 13 42.04 0.1 . 1 . . . . . . . . 5225 1 101 . 1 1 9 9 ILE CG1 C 13 28.84 0.1 . 1 . . . . . . . . 5225 1 102 . 1 1 9 9 ILE CG2 C 13 17.77 0.1 . 1 . . . . . . . . 5225 1 103 . 1 1 9 9 ILE CD1 C 13 13.64 0.1 . 1 . . . . . . . . 5225 1 104 . 1 1 9 9 ILE N N 15 121.28 0.05 . 1 . . . . . . . . 5225 1 105 . 1 1 10 10 LEU H H 1 7.81 0.02 . 1 . . . . . . . . 5225 1 106 . 1 1 10 10 LEU HA H 1 4.94 0.02 . 1 . . . . . . . . 5225 1 107 . 1 1 10 10 LEU HB2 H 1 0.51 0.02 . 1 . . . . . . . . 5225 1 108 . 1 1 10 10 LEU HB3 H 1 1.36 0.02 . 1 . . . . . . . . 5225 1 109 . 1 1 10 10 LEU HG H 1 0.94 0.02 . 1 . . . . . . . . 5225 1 110 . 1 1 10 10 LEU HD11 H 1 0.62 0.02 . 2 . . . . . . . . 5225 1 111 . 1 1 10 10 LEU HD12 H 1 0.62 0.02 . 2 . . . . . . . . 5225 1 112 . 1 1 10 10 LEU HD13 H 1 0.62 0.02 . 2 . . . . . . . . 5225 1 113 . 1 1 10 10 LEU HD21 H 1 -0.27 0.02 . 2 . . . . . . . . 5225 1 114 . 1 1 10 10 LEU HD22 H 1 -0.27 0.02 . 2 . . . . . . . . 5225 1 115 . 1 1 10 10 LEU HD23 H 1 -0.27 0.02 . 2 . . . . . . . . 5225 1 116 . 1 1 10 10 LEU C C 13 174.41 0.1 . 1 . . . . . . . . 5225 1 117 . 1 1 10 10 LEU CA C 13 53.04 0.1 . 1 . . . . . . . . 5225 1 118 . 1 1 10 10 LEU CB C 13 45.50 0.1 . 1 . . . . . . . . 5225 1 119 . 1 1 10 10 LEU CG C 13 27.07 0.1 . 1 . . . . . . . . 5225 1 120 . 1 1 10 10 LEU CD1 C 13 23.23 0.1 . 2 . . . . . . . . 5225 1 121 . 1 1 10 10 LEU CD2 C 13 19.93 0.1 . 2 . . . . . . . . 5225 1 122 . 1 1 10 10 LEU N N 15 128.98 0.05 . 1 . . . . . . . . 5225 1 123 . 1 1 11 11 VAL H H 1 9.07 0.02 . 1 . . . . . . . . 5225 1 124 . 1 1 11 11 VAL HA H 1 4.97 0.02 . 1 . . . . . . . . 5225 1 125 . 1 1 11 11 VAL HB H 1 2.51 0.02 . 1 . . . . . . . . 5225 1 126 . 1 1 11 11 VAL HG11 H 1 0.78 0.02 . 2 . . . . . . . . 5225 1 127 . 1 1 11 11 VAL HG12 H 1 0.78 0.02 . 2 . . . . . . . . 5225 1 128 . 1 1 11 11 VAL HG13 H 1 0.78 0.02 . 2 . . . . . . . . 5225 1 129 . 1 1 11 11 VAL HG21 H 1 0.74 0.02 . 2 . . . . . . . . 5225 1 130 . 1 1 11 11 VAL HG22 H 1 0.74 0.02 . 2 . . . . . . . . 5225 1 131 . 1 1 11 11 VAL HG23 H 1 0.74 0.02 . 2 . . . . . . . . 5225 1 132 . 1 1 11 11 VAL C C 13 175.32 0.1 . 1 . . . . . . . . 5225 1 133 . 1 1 11 11 VAL CA C 13 58.83 0.1 . 1 . . . . . . . . 5225 1 134 . 1 1 11 11 VAL CB C 13 36.06 0.1 . 1 . . . . . . . . 5225 1 135 . 1 1 11 11 VAL CG1 C 13 18.60 0.1 . 2 . . . . . . . . 5225 1 136 . 1 1 11 11 VAL CG2 C 13 22.96 0.1 . 2 . . . . . . . . 5225 1 137 . 1 1 11 11 VAL N N 15 117.56 0.05 . 1 . . . . . . . . 5225 1 138 . 1 1 12 12 LYS H H 1 9.06 0.02 . 1 . . . . . . . . 5225 1 139 . 1 1 12 12 LYS HA H 1 4.50 0.02 . 1 . . . . . . . . 5225 1 140 . 1 1 12 12 LYS HB2 H 1 1.98 0.02 . 1 . . . . . . . . 5225 1 141 . 1 1 12 12 LYS HB3 H 1 1.98 0.02 . 1 . . . . . . . . 5225 1 142 . 1 1 12 12 LYS HG2 H 1 1.63 0.02 . 4 . . . . . . . . 5225 1 143 . 1 1 12 12 LYS HG3 H 1 1.63 0.02 . 4 . . . . . . . . 5225 1 144 . 1 1 12 12 LYS HD2 H 1 1.63 0.02 . 4 . . . . . . . . 5225 1 145 . 1 1 12 12 LYS HD3 H 1 1.63 0.02 . 4 . . . . . . . . 5225 1 146 . 1 1 12 12 LYS HE2 H 1 2.79 0.02 . 1 . . . . . . . . 5225 1 147 . 1 1 12 12 LYS HE3 H 1 2.79 0.02 . 1 . . . . . . . . 5225 1 148 . 1 1 12 12 LYS C C 13 177.25 0.1 . 1 . . . . . . . . 5225 1 149 . 1 1 12 12 LYS CA C 13 58.53 0.1 . 1 . . . . . . . . 5225 1 150 . 1 1 12 12 LYS CB C 13 33.82 0.1 . 1 . . . . . . . . 5225 1 151 . 1 1 12 12 LYS CG C 13 25.61 0.1 . 1 . . . . . . . . 5225 1 152 . 1 1 12 12 LYS CD C 13 29.28 0.1 . 1 . . . . . . . . 5225 1 153 . 1 1 12 12 LYS CE C 13 42.14 0.1 . 1 . . . . . . . . 5225 1 154 . 1 1 12 12 LYS N N 15 118.72 0.05 . 1 . . . . . . . . 5225 1 155 . 1 1 13 13 GLU H H 1 7.57 0.02 . 1 . . . . . . . . 5225 1 156 . 1 1 13 13 GLU HA H 1 4.61 0.02 . 1 . . . . . . . . 5225 1 157 . 1 1 13 13 GLU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5225 1 158 . 1 1 13 13 GLU HB3 H 1 2.27 0.02 . 2 . . . . . . . . 5225 1 159 . 1 1 13 13 GLU HG2 H 1 2.22 0.02 . 2 . . . . . . . . 5225 1 160 . 1 1 13 13 GLU HG3 H 1 2.28 0.02 . 2 . . . . . . . . 5225 1 161 . 1 1 13 13 GLU C C 13 175.41 0.1 . 1 . . . . . . . . 5225 1 162 . 1 1 13 13 GLU CA C 13 55.09 0.1 . 1 . . . . . . . . 5225 1 163 . 1 1 13 13 GLU CB C 13 31.92 0.1 . 1 . . . . . . . . 5225 1 164 . 1 1 13 13 GLU CG C 13 36.21 0.1 . 1 . . . . . . . . 5225 1 165 . 1 1 13 13 GLU N N 15 115.36 0.05 . 1 . . . . . . . . 5225 1 166 . 1 1 14 14 GLU H H 1 8.27 0.02 . 1 . . . . . . . . 5225 1 167 . 1 1 14 14 GLU HA H 1 2.42 0.02 . 1 . . . . . . . . 5225 1 168 . 1 1 14 14 GLU HB2 H 1 1.00 0.02 . 2 . . . . . . . . 5225 1 169 . 1 1 14 14 GLU HB3 H 1 1.57 0.02 . 2 . . . . . . . . 5225 1 170 . 1 1 14 14 GLU HG2 H 1 1.58 0.02 . 2 . . . . . . . . 5225 1 171 . 1 1 14 14 GLU HG3 H 1 1.84 0.02 . 2 . . . . . . . . 5225 1 172 . 1 1 14 14 GLU C C 13 177.65 0.1 . 1 . . . . . . . . 5225 1 173 . 1 1 14 14 GLU CA C 13 59.54 0.1 . 1 . . . . . . . . 5225 1 174 . 1 1 14 14 GLU CB C 13 29.58 0.1 . 1 . . . . . . . . 5225 1 175 . 1 1 14 14 GLU CG C 13 36.58 0.1 . 1 . . . . . . . . 5225 1 176 . 1 1 14 14 GLU N N 15 127.92 0.05 . 1 . . . . . . . . 5225 1 177 . 1 1 15 15 LYS H H 1 8.56 0.02 . 1 . . . . . . . . 5225 1 178 . 1 1 15 15 LYS HA H 1 3.78 0.02 . 1 . . . . . . . . 5225 1 179 . 1 1 15 15 LYS HB2 H 1 1.65 0.02 . 2 . . . . . . . . 5225 1 180 . 1 1 15 15 LYS HB3 H 1 1.77 0.02 . 2 . . . . . . . . 5225 1 181 . 1 1 15 15 LYS HG2 H 1 1.35 0.02 . 1 . . . . . . . . 5225 1 182 . 1 1 15 15 LYS HG3 H 1 1.35 0.02 . 1 . . . . . . . . 5225 1 183 . 1 1 15 15 LYS HD2 H 1 1.62 0.02 . 1 . . . . . . . . 5225 1 184 . 1 1 15 15 LYS HD3 H 1 1.62 0.02 . 1 . . . . . . . . 5225 1 185 . 1 1 15 15 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 5225 1 186 . 1 1 15 15 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 5225 1 187 . 1 1 15 15 LYS C C 13 178.63 0.1 . 1 . . . . . . . . 5225 1 188 . 1 1 15 15 LYS CA C 13 59.54 0.1 . 1 . . . . . . . . 5225 1 189 . 1 1 15 15 LYS CB C 13 31.97 0.1 . 1 . . . . . . . . 5225 1 190 . 1 1 15 15 LYS CG C 13 25.13 0.1 . 1 . . . . . . . . 5225 1 191 . 1 1 15 15 LYS CD C 13 28.94 0.1 . 1 . . . . . . . . 5225 1 192 . 1 1 15 15 LYS CE C 13 42.42 0.1 . 1 . . . . . . . . 5225 1 193 . 1 1 15 15 LYS N N 15 116.49 0.05 . 1 . . . . . . . . 5225 1 194 . 1 1 16 16 LEU H H 1 6.49 0.02 . 1 . . . . . . . . 5225 1 195 . 1 1 16 16 LEU HA H 1 4.20 0.02 . 1 . . . . . . . . 5225 1 196 . 1 1 16 16 LEU HB2 H 1 1.56 0.02 . 2 . . . . . . . . 5225 1 197 . 1 1 16 16 LEU HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5225 1 198 . 1 1 16 16 LEU HG H 1 1.79 0.02 . 1 . . . . . . . . 5225 1 199 . 1 1 16 16 LEU HD11 H 1 1.57 0.02 . 2 . . . . . . . . 5225 1 200 . 1 1 16 16 LEU HD12 H 1 1.57 0.02 . 2 . . . . . . . . 5225 1 201 . 1 1 16 16 LEU HD13 H 1 1.57 0.02 . 2 . . . . . . . . 5225 1 202 . 1 1 16 16 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . 5225 1 203 . 1 1 16 16 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . 5225 1 204 . 1 1 16 16 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . 5225 1 205 . 1 1 16 16 LEU C C 13 177.56 0.1 . 1 . . . . . . . . 5225 1 206 . 1 1 16 16 LEU CA C 13 57.03 0.1 . 1 . . . . . . . . 5225 1 207 . 1 1 16 16 LEU CB C 13 41.24 0.1 . 1 . . . . . . . . 5225 1 208 . 1 1 16 16 LEU CG C 13 27.92 0.1 . 1 . . . . . . . . 5225 1 209 . 1 1 16 16 LEU CD1 C 13 26.66 0.1 . 2 . . . . . . . . 5225 1 210 . 1 1 16 16 LEU CD2 C 13 22.52 0.1 . 2 . . . . . . . . 5225 1 211 . 1 1 16 16 LEU N N 15 118.23 0.05 . 1 . . . . . . . . 5225 1 212 . 1 1 17 17 ALA H H 1 7.27 0.02 . 1 . . . . . . . . 5225 1 213 . 1 1 17 17 ALA HA H 1 3.63 0.02 . 1 . . . . . . . . 5225 1 214 . 1 1 17 17 ALA HB1 H 1 1.18 0.02 . 1 . . . . . . . . 5225 1 215 . 1 1 17 17 ALA HB2 H 1 1.18 0.02 . 1 . . . . . . . . 5225 1 216 . 1 1 17 17 ALA HB3 H 1 1.18 0.02 . 1 . . . . . . . . 5225 1 217 . 1 1 17 17 ALA C C 13 178.69 0.1 . 1 . . . . . . . . 5225 1 218 . 1 1 17 17 ALA CA C 13 55.64 0.1 . 1 . . . . . . . . 5225 1 219 . 1 1 17 17 ALA CB C 13 17.51 0.1 . 1 . . . . . . . . 5225 1 220 . 1 1 17 17 ALA N N 15 120.72 0.05 . 1 . . . . . . . . 5225 1 221 . 1 1 18 18 LEU H H 1 8.15 0.02 . 1 . . . . . . . . 5225 1 222 . 1 1 18 18 LEU HA H 1 3.87 0.02 . 1 . . . . . . . . 5225 1 223 . 1 1 18 18 LEU HB2 H 1 1.44 0.02 . 2 . . . . . . . . 5225 1 224 . 1 1 18 18 LEU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 5225 1 225 . 1 1 18 18 LEU HG H 1 1.56 0.02 . 1 . . . . . . . . 5225 1 226 . 1 1 18 18 LEU HD21 H 1 1.07 0.02 . 2 . . . . . . . . 5225 1 227 . 1 1 18 18 LEU HD22 H 1 1.07 0.02 . 2 . . . . . . . . 5225 1 228 . 1 1 18 18 LEU HD23 H 1 1.07 0.02 . 2 . . . . . . . . 5225 1 229 . 1 1 18 18 LEU C C 13 179.75 0.1 . 1 . . . . . . . . 5225 1 230 . 1 1 18 18 LEU CA C 13 58.11 0.1 . 1 . . . . . . . . 5225 1 231 . 1 1 18 18 LEU CB C 13 41.70 0.1 . 1 . . . . . . . . 5225 1 232 . 1 1 18 18 LEU CG C 13 27.12 0.1 . 1 . . . . . . . . 5225 1 233 . 1 1 18 18 LEU CD1 C 13 25.74 0.1 . 2 . . . . . . . . 5225 1 234 . 1 1 18 18 LEU CD2 C 13 23.21 0.1 . 2 . . . . . . . . 5225 1 235 . 1 1 18 18 LEU N N 15 116.77 0.05 . 1 . . . . . . . . 5225 1 236 . 1 1 19 19 ASP H H 1 7.89 0.02 . 1 . . . . . . . . 5225 1 237 . 1 1 19 19 ASP HA H 1 4.32 0.02 . 1 . . . . . . . . 5225 1 238 . 1 1 19 19 ASP HB2 H 1 2.71 0.02 . 2 . . . . . . . . 5225 1 239 . 1 1 19 19 ASP HB3 H 1 2.76 0.02 . 2 . . . . . . . . 5225 1 240 . 1 1 19 19 ASP C C 13 179.22 0.1 . 1 . . . . . . . . 5225 1 241 . 1 1 19 19 ASP CA C 13 57.27 0.1 . 1 . . . . . . . . 5225 1 242 . 1 1 19 19 ASP CB C 13 40.98 0.1 . 1 . . . . . . . . 5225 1 243 . 1 1 19 19 ASP N N 15 121.88 0.05 . 1 . . . . . . . . 5225 1 244 . 1 1 20 20 LEU H H 1 8.57 0.02 . 1 . . . . . . . . 5225 1 245 . 1 1 20 20 LEU HA H 1 3.73 0.02 . 1 . . . . . . . . 5225 1 246 . 1 1 20 20 LEU HB2 H 1 0.77 0.02 . 2 . . . . . . . . 5225 1 247 . 1 1 20 20 LEU HB3 H 1 1.71 0.02 . 2 . . . . . . . . 5225 1 248 . 1 1 20 20 LEU HG H 1 0.33 0.02 . 1 . . . . . . . . 5225 1 249 . 1 1 20 20 LEU HD11 H 1 0.25 0.02 . 2 . . . . . . . . 5225 1 250 . 1 1 20 20 LEU HD12 H 1 0.25 0.02 . 2 . . . . . . . . 5225 1 251 . 1 1 20 20 LEU HD13 H 1 0.25 0.02 . 2 . . . . . . . . 5225 1 252 . 1 1 20 20 LEU HD21 H 1 1.04 0.02 . 2 . . . . . . . . 5225 1 253 . 1 1 20 20 LEU HD22 H 1 1.04 0.02 . 2 . . . . . . . . 5225 1 254 . 1 1 20 20 LEU HD23 H 1 1.04 0.02 . 2 . . . . . . . . 5225 1 255 . 1 1 20 20 LEU C C 13 178.98 0.1 . 1 . . . . . . . . 5225 1 256 . 1 1 20 20 LEU CA C 13 57.66 0.1 . 1 . . . . . . . . 5225 1 257 . 1 1 20 20 LEU CB C 13 40.89 0.1 . 1 . . . . . . . . 5225 1 258 . 1 1 20 20 LEU CG C 13 27.12 0.1 . 1 . . . . . . . . 5225 1 259 . 1 1 20 20 LEU CD1 C 13 22.40 0.1 . 2 . . . . . . . . 5225 1 260 . 1 1 20 20 LEU CD2 C 13 17.31 0.1 . 2 . . . . . . . . 5225 1 261 . 1 1 20 20 LEU N N 15 118.83 0.05 . 1 . . . . . . . . 5225 1 262 . 1 1 21 21 LEU H H 1 8.08 0.02 . 1 . . . . . . . . 5225 1 263 . 1 1 21 21 LEU HA H 1 3.85 0.02 . 1 . . . . . . . . 5225 1 264 . 1 1 21 21 LEU HB2 H 1 1.53 0.02 . 2 . . . . . . . . 5225 1 265 . 1 1 21 21 LEU HB3 H 1 1.87 0.02 . 2 . . . . . . . . 5225 1 266 . 1 1 21 21 LEU HD11 H 1 0.80 0.02 . 2 . . . . . . . . 5225 1 267 . 1 1 21 21 LEU HD12 H 1 0.80 0.02 . 2 . . . . . . . . 5225 1 268 . 1 1 21 21 LEU HD13 H 1 0.80 0.02 . 2 . . . . . . . . 5225 1 269 . 1 1 21 21 LEU HD21 H 1 0.72 0.02 . 2 . . . . . . . . 5225 1 270 . 1 1 21 21 LEU HD22 H 1 0.72 0.02 . 2 . . . . . . . . 5225 1 271 . 1 1 21 21 LEU HD23 H 1 0.72 0.02 . 2 . . . . . . . . 5225 1 272 . 1 1 21 21 LEU C C 13 178.53 0.1 . 1 . . . . . . . . 5225 1 273 . 1 1 21 21 LEU CA C 13 58.62 0.1 . 1 . . . . . . . . 5225 1 274 . 1 1 21 21 LEU CB C 13 41.65 0.1 . 1 . . . . . . . . 5225 1 275 . 1 1 21 21 LEU CG C 13 27.23 0.1 . 1 . . . . . . . . 5225 1 276 . 1 1 21 21 LEU CD1 C 13 25.84 0.1 . 2 . . . . . . . . 5225 1 277 . 1 1 21 21 LEU CD2 C 13 24.13 0.1 . 2 . . . . . . . . 5225 1 278 . 1 1 21 21 LEU N N 15 119.63 0.05 . 1 . . . . . . . . 5225 1 279 . 1 1 22 22 GLU H H 1 7.62 0.02 . 1 . . . . . . . . 5225 1 280 . 1 1 22 22 GLU HA H 1 3.95 0.02 . 1 . . . . . . . . 5225 1 281 . 1 1 22 22 GLU HB2 H 1 2.19 0.02 . 1 . . . . . . . . 5225 1 282 . 1 1 22 22 GLU HB3 H 1 2.19 0.02 . 1 . . . . . . . . 5225 1 283 . 1 1 22 22 GLU HG2 H 1 2.26 0.02 . 1 . . . . . . . . 5225 1 284 . 1 1 22 22 GLU HG3 H 1 2.26 0.02 . 1 . . . . . . . . 5225 1 285 . 1 1 22 22 GLU C C 13 178.93 0.1 . 1 . . . . . . . . 5225 1 286 . 1 1 22 22 GLU CA C 13 59.40 0.1 . 1 . . . . . . . . 5225 1 287 . 1 1 22 22 GLU CB C 13 28.98 0.1 . 1 . . . . . . . . 5225 1 288 . 1 1 22 22 GLU CG C 13 35.87 0.1 . 1 . . . . . . . . 5225 1 289 . 1 1 22 22 GLU N N 15 119.54 0.05 . 1 . . . . . . . . 5225 1 290 . 1 1 23 23 GLN H H 1 8.03 0.02 . 1 . . . . . . . . 5225 1 291 . 1 1 23 23 GLN HA H 1 3.99 0.02 . 1 . . . . . . . . 5225 1 292 . 1 1 23 23 GLN HB3 H 1 2.05 0.02 . 2 . . . . . . . . 5225 1 293 . 1 1 23 23 GLN HG2 H 1 2.23 0.02 . 1 . . . . . . . . 5225 1 294 . 1 1 23 23 GLN HG3 H 1 2.23 0.02 . 1 . . . . . . . . 5225 1 295 . 1 1 23 23 GLN C C 13 180.26 0.1 . 1 . . . . . . . . 5225 1 296 . 1 1 23 23 GLN CA C 13 59.70 0.1 . 1 . . . . . . . . 5225 1 297 . 1 1 23 23 GLN CB C 13 28.20 0.1 . 1 . . . . . . . . 5225 1 298 . 1 1 23 23 GLN CG C 13 34.48 0.1 . 1 . . . . . . . . 5225 1 299 . 1 1 23 23 GLN N N 15 118.35 0.05 . 1 . . . . . . . . 5225 1 300 . 1 1 24 24 ILE H H 1 8.57 0.02 . 1 . . . . . . . . 5225 1 301 . 1 1 24 24 ILE HA H 1 3.84 0.02 . 1 . . . . . . . . 5225 1 302 . 1 1 24 24 ILE HB H 1 1.89 0.02 . 1 . . . . . . . . 5225 1 303 . 1 1 24 24 ILE HG12 H 1 1.68 0.02 . 1 . . . . . . . . 5225 1 304 . 1 1 24 24 ILE HG13 H 1 1.68 0.02 . 1 . . . . . . . . 5225 1 305 . 1 1 24 24 ILE HG21 H 1 1.08 0.02 . 1 . . . . . . . . 5225 1 306 . 1 1 24 24 ILE HG22 H 1 1.08 0.02 . 1 . . . . . . . . 5225 1 307 . 1 1 24 24 ILE HG23 H 1 1.08 0.02 . 1 . . . . . . . . 5225 1 308 . 1 1 24 24 ILE HD11 H 1 0.45 0.02 . 1 . . . . . . . . 5225 1 309 . 1 1 24 24 ILE HD12 H 1 0.45 0.02 . 1 . . . . . . . . 5225 1 310 . 1 1 24 24 ILE HD13 H 1 0.45 0.02 . 1 . . . . . . . . 5225 1 311 . 1 1 24 24 ILE C C 13 180.26 0.1 . 1 . . . . . . . . 5225 1 312 . 1 1 24 24 ILE CA C 13 65.19 0.1 . 1 . . . . . . . . 5225 1 313 . 1 1 24 24 ILE CB C 13 38.61 0.1 . 1 . . . . . . . . 5225 1 314 . 1 1 24 24 ILE CG1 C 13 30.91 0.1 . 1 . . . . . . . . 5225 1 315 . 1 1 24 24 ILE CG2 C 13 18.14 0.1 . 1 . . . . . . . . 5225 1 316 . 1 1 24 24 ILE CD1 C 13 14.49 0.1 . 1 . . . . . . . . 5225 1 317 . 1 1 24 24 ILE N N 15 122.60 0.05 . 1 . . . . . . . . 5225 1 318 . 1 1 25 25 LYS H H 1 8.68 0.02 . 1 . . . . . . . . 5225 1 319 . 1 1 25 25 LYS HA H 1 4.08 0.02 . 1 . . . . . . . . 5225 1 320 . 1 1 25 25 LYS HB2 H 1 1.95 0.02 . 1 . . . . . . . . 5225 1 321 . 1 1 25 25 LYS HB3 H 1 1.95 0.02 . 1 . . . . . . . . 5225 1 322 . 1 1 25 25 LYS HG2 H 1 1.66 0.02 . 2 . . . . . . . . 5225 1 323 . 1 1 25 25 LYS HG3 H 1 1.44 0.02 . 2 . . . . . . . . 5225 1 324 . 1 1 25 25 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 5225 1 325 . 1 1 25 25 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 5225 1 326 . 1 1 25 25 LYS HE2 H 1 2.95 0.02 . 1 . . . . . . . . 5225 1 327 . 1 1 25 25 LYS HE3 H 1 2.95 0.02 . 1 . . . . . . . . 5225 1 328 . 1 1 25 25 LYS C C 13 177.86 0.1 . 1 . . . . . . . . 5225 1 329 . 1 1 25 25 LYS CA C 13 59.99 0.1 . 1 . . . . . . . . 5225 1 330 . 1 1 25 25 LYS CB C 13 32.09 0.1 . 1 . . . . . . . . 5225 1 331 . 1 1 25 25 LYS CG C 13 25.86 0.1 . 1 . . . . . . . . 5225 1 332 . 1 1 25 25 LYS CD C 13 29.46 0.1 . 1 . . . . . . . . 5225 1 333 . 1 1 25 25 LYS CE C 13 41.97 0.1 . 1 . . . . . . . . 5225 1 334 . 1 1 25 25 LYS N N 15 123.94 0.05 . 1 . . . . . . . . 5225 1 335 . 1 1 26 26 ASN H H 1 7.55 0.02 . 1 . . . . . . . . 5225 1 336 . 1 1 26 26 ASN HA H 1 4.84 0.02 . 1 . . . . . . . . 5225 1 337 . 1 1 26 26 ASN HB2 H 1 2.74 0.02 . 2 . . . . . . . . 5225 1 338 . 1 1 26 26 ASN HB3 H 1 3.09 0.02 . 2 . . . . . . . . 5225 1 339 . 1 1 26 26 ASN HD21 H 1 7.55 0.02 . 2 . . . . . . . . 5225 1 340 . 1 1 26 26 ASN HD22 H 1 7.01 0.02 . 2 . . . . . . . . 5225 1 341 . 1 1 26 26 ASN C C 13 175.28 0.1 . 1 . . . . . . . . 5225 1 342 . 1 1 26 26 ASN CA C 13 53.31 0.1 . 1 . . . . . . . . 5225 1 343 . 1 1 26 26 ASN CB C 13 39.20 0.1 . 1 . . . . . . . . 5225 1 344 . 1 1 26 26 ASN CG C 13 177.55 0.1 . 1 . . . . . . . . 5225 1 345 . 1 1 26 26 ASN N N 15 115.24 0.05 . 1 . . . . . . . . 5225 1 346 . 1 1 26 26 ASN ND2 N 15 114.03 0.05 . 1 . . . . . . . . 5225 1 347 . 1 1 27 27 GLY H H 1 7.76 0.02 . 1 . . . . . . . . 5225 1 348 . 1 1 27 27 GLY HA2 H 1 4.48 0.02 . 2 . . . . . . . . 5225 1 349 . 1 1 27 27 GLY HA3 H 1 3.74 0.02 . 2 . . . . . . . . 5225 1 350 . 1 1 27 27 GLY C C 13 174.94 0.1 . 1 . . . . . . . . 5225 1 351 . 1 1 27 27 GLY CA C 13 45.56 0.1 . 1 . . . . . . . . 5225 1 352 . 1 1 27 27 GLY N N 15 106.53 0.05 . 1 . . . . . . . . 5225 1 353 . 1 1 28 28 ALA H H 1 8.24 0.02 . 1 . . . . . . . . 5225 1 354 . 1 1 28 28 ALA HA H 1 4.25 0.02 . 1 . . . . . . . . 5225 1 355 . 1 1 28 28 ALA HB1 H 1 1.15 0.02 . 1 . . . . . . . . 5225 1 356 . 1 1 28 28 ALA HB2 H 1 1.15 0.02 . 1 . . . . . . . . 5225 1 357 . 1 1 28 28 ALA HB3 H 1 1.15 0.02 . 1 . . . . . . . . 5225 1 358 . 1 1 28 28 ALA C C 13 176.46 0.1 . 1 . . . . . . . . 5225 1 359 . 1 1 28 28 ALA CA C 13 52.57 0.1 . 1 . . . . . . . . 5225 1 360 . 1 1 28 28 ALA CB C 13 19.75 0.1 . 1 . . . . . . . . 5225 1 361 . 1 1 28 28 ALA N N 15 124.49 0.05 . 1 . . . . . . . . 5225 1 362 . 1 1 29 29 ASP H H 1 8.45 0.02 . 1 . . . . . . . . 5225 1 363 . 1 1 29 29 ASP HA H 1 4.51 0.02 . 1 . . . . . . . . 5225 1 364 . 1 1 29 29 ASP HB2 H 1 2.70 0.02 . 1 . . . . . . . . 5225 1 365 . 1 1 29 29 ASP HB3 H 1 2.70 0.02 . 1 . . . . . . . . 5225 1 366 . 1 1 29 29 ASP C C 13 175.78 0.1 . 1 . . . . . . . . 5225 1 367 . 1 1 29 29 ASP CA C 13 54.76 0.1 . 1 . . . . . . . . 5225 1 368 . 1 1 29 29 ASP CB C 13 43.06 0.1 . 1 . . . . . . . . 5225 1 369 . 1 1 29 29 ASP N N 15 121.28 0.05 . 1 . . . . . . . . 5225 1 370 . 1 1 30 30 PHE H H 1 8.79 0.02 . 1 . . . . . . . . 5225 1 371 . 1 1 30 30 PHE HA H 1 3.53 0.02 . 1 . . . . . . . . 5225 1 372 . 1 1 30 30 PHE HB2 H 1 3.01 0.02 . 2 . . . . . . . . 5225 1 373 . 1 1 30 30 PHE HB3 H 1 3.30 0.02 . 2 . . . . . . . . 5225 1 374 . 1 1 30 30 PHE HD1 H 1 6.98 0.02 . 1 . . . . . . . . 5225 1 375 . 1 1 30 30 PHE HD2 H 1 6.98 0.02 . 1 . . . . . . . . 5225 1 376 . 1 1 30 30 PHE C C 13 177.58 0.1 . 1 . . . . . . . . 5225 1 377 . 1 1 30 30 PHE CA C 13 61.98 0.1 . 1 . . . . . . . . 5225 1 378 . 1 1 30 30 PHE CB C 13 40.88 0.1 . 1 . . . . . . . . 5225 1 379 . 1 1 30 30 PHE CD1 C 13 131.98 0.1 . 1 . . . . . . . . 5225 1 380 . 1 1 30 30 PHE CD2 C 13 131.98 0.1 . 1 . . . . . . . . 5225 1 381 . 1 1 30 30 PHE N N 15 129.78 0.05 . 1 . . . . . . . . 5225 1 382 . 1 1 31 31 GLY H H 1 8.54 0.02 . 1 . . . . . . . . 5225 1 383 . 1 1 31 31 GLY HA2 H 1 4.07 0.02 . 1 . . . . . . . . 5225 1 384 . 1 1 31 31 GLY HA3 H 1 4.07 0.02 . 1 . . . . . . . . 5225 1 385 . 1 1 31 31 GLY C C 13 176.83 0.1 . 1 . . . . . . . . 5225 1 386 . 1 1 31 31 GLY CA C 13 47.45 0.1 . 1 . . . . . . . . 5225 1 387 . 1 1 31 31 GLY N N 15 105.89 0.05 . 1 . . . . . . . . 5225 1 388 . 1 1 32 32 LYS H H 1 8.57 0.02 . 1 . . . . . . . . 5225 1 389 . 1 1 32 32 LYS HA H 1 3.99 0.02 . 1 . . . . . . . . 5225 1 390 . 1 1 32 32 LYS HB2 H 1 1.90 0.02 . 1 . . . . . . . . 5225 1 391 . 1 1 32 32 LYS HB3 H 1 1.90 0.02 . 1 . . . . . . . . 5225 1 392 . 1 1 32 32 LYS C C 13 180.43 0.1 . 1 . . . . . . . . 5225 1 393 . 1 1 32 32 LYS CA C 13 59.95 0.1 . 1 . . . . . . . . 5225 1 394 . 1 1 32 32 LYS CB C 13 32.70 0.1 . 1 . . . . . . . . 5225 1 395 . 1 1 32 32 LYS CG C 13 26.20 0.1 . 1 . . . . . . . . 5225 1 396 . 1 1 32 32 LYS CD C 13 29.53 0.1 . 1 . . . . . . . . 5225 1 397 . 1 1 32 32 LYS CE C 13 42.42 0.1 . 1 . . . . . . . . 5225 1 398 . 1 1 32 32 LYS N N 15 122.60 0.05 . 1 . . . . . . . . 5225 1 399 . 1 1 33 33 LEU H H 1 7.85 0.02 . 1 . . . . . . . . 5225 1 400 . 1 1 33 33 LEU HA H 1 4.14 0.02 . 1 . . . . . . . . 5225 1 401 . 1 1 33 33 LEU HB2 H 1 1.17 0.02 . 2 . . . . . . . . 5225 1 402 . 1 1 33 33 LEU HB3 H 1 1.82 0.02 . 2 . . . . . . . . 5225 1 403 . 1 1 33 33 LEU HG H 1 1.17 0.02 . 1 . . . . . . . . 5225 1 404 . 1 1 33 33 LEU C C 13 179.41 0.1 . 1 . . . . . . . . 5225 1 405 . 1 1 33 33 LEU CA C 13 57.85 0.1 . 1 . . . . . . . . 5225 1 406 . 1 1 33 33 LEU CB C 13 41.73 0.1 . 1 . . . . . . . . 5225 1 407 . 1 1 33 33 LEU CG C 13 27.02 0.1 . 1 . . . . . . . . 5225 1 408 . 1 1 33 33 LEU CD1 C 13 26.28 0.1 . 1 . . . . . . . . 5225 1 409 . 1 1 33 33 LEU CD2 C 13 23.25 0.1 . 1 . . . . . . . . 5225 1 410 . 1 1 33 33 LEU N N 15 119.88 0.05 . 1 . . . . . . . . 5225 1 411 . 1 1 34 34 ALA H H 1 8.68 0.02 . 1 . . . . . . . . 5225 1 412 . 1 1 34 34 ALA HA H 1 3.87 0.02 . 1 . . . . . . . . 5225 1 413 . 1 1 34 34 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 5225 1 414 . 1 1 34 34 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 5225 1 415 . 1 1 34 34 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 5225 1 416 . 1 1 34 34 ALA C C 13 179.06 0.1 . 1 . . . . . . . . 5225 1 417 . 1 1 34 34 ALA CA C 13 55.63 0.1 . 1 . . . . . . . . 5225 1 418 . 1 1 34 34 ALA CB C 13 17.60 0.1 . 1 . . . . . . . . 5225 1 419 . 1 1 34 34 ALA N N 15 123.66 0.05 . 1 . . . . . . . . 5225 1 420 . 1 1 35 35 LYS H H 1 8.13 0.02 . 1 . . . . . . . . 5225 1 421 . 1 1 35 35 LYS HA H 1 3.86 0.02 . 1 . . . . . . . . 5225 1 422 . 1 1 35 35 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 5225 1 423 . 1 1 35 35 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 5225 1 424 . 1 1 35 35 LYS C C 13 178.61 0.1 . 1 . . . . . . . . 5225 1 425 . 1 1 35 35 LYS CA C 13 59.20 0.1 . 1 . . . . . . . . 5225 1 426 . 1 1 35 35 LYS CB C 13 33.00 0.1 . 1 . . . . . . . . 5225 1 427 . 1 1 35 35 LYS CG C 13 26.08 0.1 . 1 . . . . . . . . 5225 1 428 . 1 1 35 35 LYS CD C 13 29.88 0.1 . 1 . . . . . . . . 5225 1 429 . 1 1 35 35 LYS CE C 13 42.42 0.1 . 1 . . . . . . . . 5225 1 430 . 1 1 35 35 LYS N N 15 118.34 0.05 . 1 . . . . . . . . 5225 1 431 . 1 1 36 36 LYS H H 1 7.28 0.02 . 1 . . . . . . . . 5225 1 432 . 1 1 36 36 LYS HA H 1 4.00 0.02 . 1 . . . . . . . . 5225 1 433 . 1 1 36 36 LYS HB2 H 1 1.40 0.02 . 2 . . . . . . . . 5225 1 434 . 1 1 36 36 LYS HB3 H 1 1.61 0.02 . 2 . . . . . . . . 5225 1 435 . 1 1 36 36 LYS HG2 H 1 0.46 0.02 . 2 . . . . . . . . 5225 1 436 . 1 1 36 36 LYS HG3 H 1 0.91 0.02 . 2 . . . . . . . . 5225 1 437 . 1 1 36 36 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 5225 1 438 . 1 1 36 36 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 5225 1 439 . 1 1 36 36 LYS C C 13 177.75 0.1 . 1 . . . . . . . . 5225 1 440 . 1 1 36 36 LYS CA C 13 58.38 0.1 . 1 . . . . . . . . 5225 1 441 . 1 1 36 36 LYS CB C 13 34.36 0.1 . 1 . . . . . . . . 5225 1 442 . 1 1 36 36 LYS CG C 13 24.82 0.1 . 1 . . . . . . . . 5225 1 443 . 1 1 36 36 LYS CD C 13 29.07 0.1 . 1 . . . . . . . . 5225 1 444 . 1 1 36 36 LYS CE C 13 42.19 0.1 . 1 . . . . . . . . 5225 1 445 . 1 1 36 36 LYS N N 15 116.58 0.05 . 1 . . . . . . . . 5225 1 446 . 1 1 37 37 HIS H H 1 8.09 0.02 . 1 . . . . . . . . 5225 1 447 . 1 1 37 37 HIS HA H 1 4.66 0.02 . 1 . . . . . . . . 5225 1 448 . 1 1 37 37 HIS HB2 H 1 2.60 0.02 . 2 . . . . . . . . 5225 1 449 . 1 1 37 37 HIS HB3 H 1 2.83 0.02 . 2 . . . . . . . . 5225 1 450 . 1 1 37 37 HIS HD2 H 1 7.02 0.1 . 1 . . . . . . . . 5225 1 451 . 1 1 37 37 HIS C C 13 176.21 0.1 . 1 . . . . . . . . 5225 1 452 . 1 1 37 37 HIS CA C 13 57.20 0.1 . 1 . . . . . . . . 5225 1 453 . 1 1 37 37 HIS CB C 13 34.13 0.1 . 1 . . . . . . . . 5225 1 454 . 1 1 37 37 HIS CD2 C 13 119.77 0.1 . 1 . . . . . . . . 5225 1 455 . 1 1 37 37 HIS N N 15 111.98 0.05 . 1 . . . . . . . . 5225 1 456 . 1 1 38 38 SER H H 1 8.36 0.02 . 1 . . . . . . . . 5225 1 457 . 1 1 38 38 SER HA H 1 4.70 0.02 . 1 . . . . . . . . 5225 1 458 . 1 1 38 38 SER HB2 H 1 3.86 0.02 . 2 . . . . . . . . 5225 1 459 . 1 1 38 38 SER HB3 H 1 4.17 0.02 . 2 . . . . . . . . 5225 1 460 . 1 1 38 38 SER C C 13 177.73 0.1 . 1 . . . . . . . . 5225 1 461 . 1 1 38 38 SER CA C 13 57.78 0.1 . 1 . . . . . . . . 5225 1 462 . 1 1 38 38 SER CB C 13 65.77 0.1 . 1 . . . . . . . . 5225 1 463 . 1 1 38 38 SER N N 15 110.69 0.05 . 1 . . . . . . . . 5225 1 464 . 1 1 39 39 ILE H H 1 9.21 0.02 . 1 . . . . . . . . 5225 1 465 . 1 1 39 39 ILE HA H 1 4.48 0.02 . 1 . . . . . . . . 5225 1 466 . 1 1 39 39 ILE HB H 1 2.20 0.02 . 1 . . . . . . . . 5225 1 467 . 1 1 39 39 ILE HG12 H 1 1.08 0.02 . 1 . . . . . . . . 5225 1 468 . 1 1 39 39 ILE HG13 H 1 1.08 0.02 . 1 . . . . . . . . 5225 1 469 . 1 1 39 39 ILE HG21 H 1 1.08 0.02 . 1 . . . . . . . . 5225 1 470 . 1 1 39 39 ILE HG22 H 1 1.08 0.02 . 1 . . . . . . . . 5225 1 471 . 1 1 39 39 ILE HG23 H 1 1.08 0.02 . 1 . . . . . . . . 5225 1 472 . 1 1 39 39 ILE HD11 H 1 0.83 0.02 . 1 . . . . . . . . 5225 1 473 . 1 1 39 39 ILE HD12 H 1 0.83 0.02 . 1 . . . . . . . . 5225 1 474 . 1 1 39 39 ILE HD13 H 1 0.83 0.02 . 1 . . . . . . . . 5225 1 475 . 1 1 39 39 ILE C C 13 176.61 0.1 . 1 . . . . . . . . 5225 1 476 . 1 1 39 39 ILE CA C 13 62.20 0.1 . 1 . . . . . . . . 5225 1 477 . 1 1 39 39 ILE CB C 13 37.34 0.1 . 1 . . . . . . . . 5225 1 478 . 1 1 39 39 ILE CG1 C 13 25.55 0.1 . 1 . . . . . . . . 5225 1 479 . 1 1 39 39 ILE CG2 C 13 17.91 0.1 . 1 . . . . . . . . 5225 1 480 . 1 1 39 39 ILE CD1 C 13 14.01 0.1 . 1 . . . . . . . . 5225 1 481 . 1 1 39 39 ILE N N 15 120.79 0.05 . 1 . . . . . . . . 5225 1 482 . 1 1 40 40 CYS H H 1 7.63 0.02 . 1 . . . . . . . . 5225 1 483 . 1 1 40 40 CYS HA H 1 4.64 0.02 . 1 . . . . . . . . 5225 1 484 . 1 1 40 40 CYS HB2 H 1 2.80 0.02 . 2 . . . . . . . . 5225 1 485 . 1 1 40 40 CYS HB3 H 1 2.51 0.02 . 2 . . . . . . . . 5225 1 486 . 1 1 40 40 CYS CA C 13 56.95 0.1 . 1 . . . . . . . . 5225 1 487 . 1 1 40 40 CYS CB C 13 29.56 0.1 . 1 . . . . . . . . 5225 1 488 . 1 1 40 40 CYS N N 15 127.65 0.05 . 1 . . . . . . . . 5225 1 489 . 1 1 41 41 PRO HA H 1 4.47 0.02 . 1 . . . . . . . . 5225 1 490 . 1 1 41 41 PRO HB2 H 1 2.45 0.02 . 1 . . . . . . . . 5225 1 491 . 1 1 41 41 PRO HB3 H 1 2.45 0.02 . 1 . . . . . . . . 5225 1 492 . 1 1 41 41 PRO HG2 H 1 2.07 0.02 . 2 . . . . . . . . 5225 1 493 . 1 1 41 41 PRO HG3 H 1 2.04 0.02 . 2 . . . . . . . . 5225 1 494 . 1 1 41 41 PRO HD2 H 1 4.51 0.02 . 2 . . . . . . . . 5225 1 495 . 1 1 41 41 PRO HD3 H 1 3.82 0.02 . 2 . . . . . . . . 5225 1 496 . 1 1 41 41 PRO C C 13 175.42 0.1 . 1 . . . . . . . . 5225 1 497 . 1 1 41 41 PRO CA C 13 65.32 0.1 . 1 . . . . . . . . 5225 1 498 . 1 1 41 41 PRO CB C 13 32.24 0.1 . 1 . . . . . . . . 5225 1 499 . 1 1 41 41 PRO CG C 13 27.54 0.1 . 1 . . . . . . . . 5225 1 500 . 1 1 41 41 PRO CD C 13 52.77 0.1 . 1 . . . . . . . . 5225 1 501 . 1 1 42 42 SER H H 1 9.60 0.02 . 1 . . . . . . . . 5225 1 502 . 1 1 42 42 SER HA H 1 4.06 0.02 . 1 . . . . . . . . 5225 1 503 . 1 1 42 42 SER HB2 H 1 3.72 0.02 . 2 . . . . . . . . 5225 1 504 . 1 1 42 42 SER HB3 H 1 3.99 0.02 . 2 . . . . . . . . 5225 1 505 . 1 1 42 42 SER C C 13 178.78 0.1 . 1 . . . . . . . . 5225 1 506 . 1 1 42 42 SER CA C 13 61.49 0.1 . 1 . . . . . . . . 5225 1 507 . 1 1 42 42 SER CB C 13 62.99 0.1 . 1 . . . . . . . . 5225 1 508 . 1 1 42 42 SER N N 15 118.88 0.05 . 1 . . . . . . . . 5225 1 509 . 1 1 43 43 GLY H H 1 9.22 0.02 . 1 . . . . . . . . 5225 1 510 . 1 1 43 43 GLY HA2 H 1 4.02 0.02 . 2 . . . . . . . . 5225 1 511 . 1 1 43 43 GLY HA3 H 1 3.56 0.02 . 2 . . . . . . . . 5225 1 512 . 1 1 43 43 GLY C C 13 175.51 0.1 . 1 . . . . . . . . 5225 1 513 . 1 1 43 43 GLY CA C 13 48.69 0.1 . 1 . . . . . . . . 5225 1 514 . 1 1 43 43 GLY N N 15 117.72 0.05 . 1 . . . . . . . . 5225 1 515 . 1 1 44 44 LYS H H 1 7.42 0.02 . 1 . . . . . . . . 5225 1 516 . 1 1 44 44 LYS HA H 1 4.20 0.02 . 1 . . . . . . . . 5225 1 517 . 1 1 44 44 LYS HB2 H 1 1.66 0.02 . 2 . . . . . . . . 5225 1 518 . 1 1 44 44 LYS HB3 H 1 1.97 0.02 . 2 . . . . . . . . 5225 1 519 . 1 1 44 44 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 5225 1 520 . 1 1 44 44 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 5225 1 521 . 1 1 44 44 LYS C C 13 177.75 0.1 . 1 . . . . . . . . 5225 1 522 . 1 1 44 44 LYS CA C 13 58.40 0.1 . 1 . . . . . . . . 5225 1 523 . 1 1 44 44 LYS CB C 13 32.19 0.1 . 1 . . . . . . . . 5225 1 524 . 1 1 44 44 LYS CG C 13 25.16 0.1 . 1 . . . . . . . . 5225 1 525 . 1 1 44 44 LYS CD C 13 28.84 0.1 . 1 . . . . . . . . 5225 1 526 . 1 1 44 44 LYS CE C 13 42.30 0.1 . 1 . . . . . . . . 5225 1 527 . 1 1 44 44 LYS N N 15 117.86 0.05 . 1 . . . . . . . . 5225 1 528 . 1 1 45 45 ARG H H 1 7.62 0.02 . 1 . . . . . . . . 5225 1 529 . 1 1 45 45 ARG HA H 1 4.79 0.02 . 1 . . . . . . . . 5225 1 530 . 1 1 45 45 ARG HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5225 1 531 . 1 1 45 45 ARG HB3 H 1 2.27 0.02 . 2 . . . . . . . . 5225 1 532 . 1 1 45 45 ARG HG2 H 1 1.66 0.02 . 1 . . . . . . . . 5225 1 533 . 1 1 45 45 ARG HG3 H 1 1.66 0.02 . 1 . . . . . . . . 5225 1 534 . 1 1 45 45 ARG HD2 H 1 3.14 0.02 . 2 . . . . . . . . 5225 1 535 . 1 1 45 45 ARG HD3 H 1 3.30 0.02 . 2 . . . . . . . . 5225 1 536 . 1 1 45 45 ARG C C 13 177.15 0.1 . 1 . . . . . . . . 5225 1 537 . 1 1 45 45 ARG CA C 13 54.35 0.1 . 1 . . . . . . . . 5225 1 538 . 1 1 45 45 ARG CB C 13 29.80 0.1 . 1 . . . . . . . . 5225 1 539 . 1 1 45 45 ARG CG C 13 27.18 0.1 . 1 . . . . . . . . 5225 1 540 . 1 1 45 45 ARG CD C 13 43.66 0.1 . 1 . . . . . . . . 5225 1 541 . 1 1 45 45 ARG N N 15 117.65 0.05 . 1 . . . . . . . . 5225 1 542 . 1 1 46 46 GLY H H 1 8.01 0.02 . 1 . . . . . . . . 5225 1 543 . 1 1 46 46 GLY HA2 H 1 4.24 0.02 . 2 . . . . . . . . 5225 1 544 . 1 1 46 46 GLY HA3 H 1 4.00 0.02 . 2 . . . . . . . . 5225 1 545 . 1 1 46 46 GLY C C 13 174.25 0.1 . 1 . . . . . . . . 5225 1 546 . 1 1 46 46 GLY CA C 13 46.84 0.1 . 1 . . . . . . . . 5225 1 547 . 1 1 46 46 GLY N N 15 108.26 0.05 . 1 . . . . . . . . 5225 1 548 . 1 1 47 47 GLY H H 1 8.30 0.02 . 1 . . . . . . . . 5225 1 549 . 1 1 47 47 GLY HA2 H 1 4.46 0.02 . 2 . . . . . . . . 5225 1 550 . 1 1 47 47 GLY HA3 H 1 3.73 0.02 . 2 . . . . . . . . 5225 1 551 . 1 1 47 47 GLY C C 13 174.47 0.1 . 1 . . . . . . . . 5225 1 552 . 1 1 47 47 GLY CA C 13 44.87 0.1 . 1 . . . . . . . . 5225 1 553 . 1 1 47 47 GLY N N 15 105.32 0.05 . 1 . . . . . . . . 5225 1 554 . 1 1 48 48 ASP H H 1 6.53 0.02 . 1 . . . . . . . . 5225 1 555 . 1 1 48 48 ASP HA H 1 4.60 0.02 . 1 . . . . . . . . 5225 1 556 . 1 1 48 48 ASP HB2 H 1 2.88 0.02 . 2 . . . . . . . . 5225 1 557 . 1 1 48 48 ASP HB3 H 1 2.55 0.02 . 2 . . . . . . . . 5225 1 558 . 1 1 48 48 ASP C C 13 175.95 0.1 . 1 . . . . . . . . 5225 1 559 . 1 1 48 48 ASP CA C 13 55.65 0.1 . 1 . . . . . . . . 5225 1 560 . 1 1 48 48 ASP CB C 13 41.81 0.1 . 1 . . . . . . . . 5225 1 561 . 1 1 48 48 ASP N N 15 116.23 0.05 . 1 . . . . . . . . 5225 1 562 . 1 1 49 49 LEU H H 1 8.51 0.02 . 1 . . . . . . . . 5225 1 563 . 1 1 49 49 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 5225 1 564 . 1 1 49 49 LEU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5225 1 565 . 1 1 49 49 LEU HB3 H 1 1.43 0.02 . 2 . . . . . . . . 5225 1 566 . 1 1 49 49 LEU HG H 1 1.71 0.02 . 1 . . . . . . . . 5225 1 567 . 1 1 49 49 LEU HD11 H 1 0.23 0.02 . 2 . . . . . . . . 5225 1 568 . 1 1 49 49 LEU HD12 H 1 0.23 0.02 . 2 . . . . . . . . 5225 1 569 . 1 1 49 49 LEU HD13 H 1 0.23 0.02 . 2 . . . . . . . . 5225 1 570 . 1 1 49 49 LEU HD21 H 1 0.51 0.02 . 2 . . . . . . . . 5225 1 571 . 1 1 49 49 LEU HD22 H 1 0.51 0.02 . 2 . . . . . . . . 5225 1 572 . 1 1 49 49 LEU HD23 H 1 0.51 0.02 . 2 . . . . . . . . 5225 1 573 . 1 1 49 49 LEU C C 13 177.63 0.1 . 1 . . . . . . . . 5225 1 574 . 1 1 49 49 LEU CA C 13 54.96 0.1 . 1 . . . . . . . . 5225 1 575 . 1 1 49 49 LEU CB C 13 43.38 0.1 . 1 . . . . . . . . 5225 1 576 . 1 1 49 49 LEU CG C 13 26.52 0.1 . 1 . . . . . . . . 5225 1 577 . 1 1 49 49 LEU CD1 C 13 25.85 0.1 . 2 . . . . . . . . 5225 1 578 . 1 1 49 49 LEU CD2 C 13 22.40 0.1 . 2 . . . . . . . . 5225 1 579 . 1 1 49 49 LEU N N 15 128.78 0.05 . 1 . . . . . . . . 5225 1 580 . 1 1 50 50 GLY H H 1 8.93 0.02 . 1 . . . . . . . . 5225 1 581 . 1 1 50 50 GLY HA2 H 1 4.03 0.02 . 2 . . . . . . . . 5225 1 582 . 1 1 50 50 GLY HA3 H 1 3.76 0.02 . 2 . . . . . . . . 5225 1 583 . 1 1 50 50 GLY C C 13 171.95 0.1 . 1 . . . . . . . . 5225 1 584 . 1 1 50 50 GLY CA C 13 45.18 0.1 . 1 . . . . . . . . 5225 1 585 . 1 1 50 50 GLY N N 15 110.89 0.05 . 1 . . . . . . . . 5225 1 586 . 1 1 51 51 GLU H H 1 8.03 0.02 . 1 . . . . . . . . 5225 1 587 . 1 1 51 51 GLU HA H 1 5.06 0.02 . 1 . . . . . . . . 5225 1 588 . 1 1 51 51 GLU HB2 H 1 1.83 0.02 . 1 . . . . . . . . 5225 1 589 . 1 1 51 51 GLU HB3 H 1 1.83 0.02 . 1 . . . . . . . . 5225 1 590 . 1 1 51 51 GLU HG2 H 1 1.96 0.02 . 2 . . . . . . . . 5225 1 591 . 1 1 51 51 GLU HG3 H 1 2.13 0.02 . 2 . . . . . . . . 5225 1 592 . 1 1 51 51 GLU C C 13 176.97 0.1 . 1 . . . . . . . . 5225 1 593 . 1 1 51 51 GLU CA C 13 54.56 0.1 . 1 . . . . . . . . 5225 1 594 . 1 1 51 51 GLU CB C 13 32.04 0.1 . 1 . . . . . . . . 5225 1 595 . 1 1 51 51 GLU CG C 13 37.51 0.1 . 1 . . . . . . . . 5225 1 596 . 1 1 51 51 GLU N N 15 118.35 0.05 . 1 . . . . . . . . 5225 1 597 . 1 1 52 52 PHE H H 1 8.82 0.02 . 1 . . . . . . . . 5225 1 598 . 1 1 52 52 PHE HA H 1 5.10 0.02 . 1 . . . . . . . . 5225 1 599 . 1 1 52 52 PHE HB2 H 1 3.09 0.02 . 2 . . . . . . . . 5225 1 600 . 1 1 52 52 PHE HB3 H 1 3.11 0.02 . 2 . . . . . . . . 5225 1 601 . 1 1 52 52 PHE HD1 H 1 7.01 0.02 . 1 . . . . . . . . 5225 1 602 . 1 1 52 52 PHE HD2 H 1 7.01 0.02 . 1 . . . . . . . . 5225 1 603 . 1 1 52 52 PHE HE1 H 1 6.89 0.02 . 1 . . . . . . . . 5225 1 604 . 1 1 52 52 PHE HE2 H 1 6.89 0.02 . 1 . . . . . . . . 5225 1 605 . 1 1 52 52 PHE C C 13 177.08 0.1 . 1 . . . . . . . . 5225 1 606 . 1 1 52 52 PHE CA C 13 55.46 0.1 . 1 . . . . . . . . 5225 1 607 . 1 1 52 52 PHE CB C 13 40.70 0.1 . 1 . . . . . . . . 5225 1 608 . 1 1 52 52 PHE CD1 C 13 129.13 0.1 . 1 . . . . . . . . 5225 1 609 . 1 1 52 52 PHE CD2 C 13 129.13 0.1 . 1 . . . . . . . . 5225 1 610 . 1 1 52 52 PHE CE1 C 13 131.05 0.1 . 1 . . . . . . . . 5225 1 611 . 1 1 52 52 PHE CE2 C 13 131.05 0.1 . 1 . . . . . . . . 5225 1 612 . 1 1 52 52 PHE N N 15 122.80 0.05 . 1 . . . . . . . . 5225 1 613 . 1 1 53 53 ARG H H 1 8.35 0.02 . 1 . . . . . . . . 5225 1 614 . 1 1 53 53 ARG HA H 1 5.21 0.02 . 1 . . . . . . . . 5225 1 615 . 1 1 53 53 ARG HB2 H 1 1.71 0.02 . 2 . . . . . . . . 5225 1 616 . 1 1 53 53 ARG HB3 H 1 1.94 0.02 . 2 . . . . . . . . 5225 1 617 . 1 1 53 53 ARG HG2 H 1 1.65 0.02 . 1 . . . . . . . . 5225 1 618 . 1 1 53 53 ARG HG3 H 1 1.65 0.02 . 1 . . . . . . . . 5225 1 619 . 1 1 53 53 ARG HD2 H 1 3.15 0.02 . 1 . . . . . . . . 5225 1 620 . 1 1 53 53 ARG HD3 H 1 3.15 0.02 . 1 . . . . . . . . 5225 1 621 . 1 1 53 53 ARG C C 13 177.71 0.1 . 1 . . . . . . . . 5225 1 622 . 1 1 53 53 ARG CA C 13 54.25 0.1 . 1 . . . . . . . . 5225 1 623 . 1 1 53 53 ARG CB C 13 33.00 0.1 . 1 . . . . . . . . 5225 1 624 . 1 1 53 53 ARG CG C 13 28.02 0.1 . 1 . . . . . . . . 5225 1 625 . 1 1 53 53 ARG CD C 13 43.76 0.1 . 1 . . . . . . . . 5225 1 626 . 1 1 53 53 ARG N N 15 117.37 0.05 . 1 . . . . . . . . 5225 1 627 . 1 1 54 54 GLN H H 1 8.16 0.02 . 1 . . . . . . . . 5225 1 628 . 1 1 54 54 GLN HA H 1 3.93 0.02 . 1 . . . . . . . . 5225 1 629 . 1 1 54 54 GLN HB2 H 1 0.69 0.02 . 1 . . . . . . . . 5225 1 630 . 1 1 54 54 GLN HB3 H 1 0.69 0.02 . 1 . . . . . . . . 5225 1 631 . 1 1 54 54 GLN HG2 H 1 1.71 0.02 . 2 . . . . . . . . 5225 1 632 . 1 1 54 54 GLN HG3 H 1 1.89 0.02 . 2 . . . . . . . . 5225 1 633 . 1 1 54 54 GLN C C 13 176.82 0.1 . 1 . . . . . . . . 5225 1 634 . 1 1 54 54 GLN CA C 13 57.88 0.1 . 1 . . . . . . . . 5225 1 635 . 1 1 54 54 GLN CB C 13 28.11 0.1 . 1 . . . . . . . . 5225 1 636 . 1 1 54 54 GLN CG C 13 33.49 0.1 . 1 . . . . . . . . 5225 1 637 . 1 1 54 54 GLN N N 15 123.40 0.05 . 1 . . . . . . . . 5225 1 638 . 1 1 55 55 GLY H H 1 9.95 0.02 . 1 . . . . . . . . 5225 1 639 . 1 1 55 55 GLY HA2 H 1 4.20 0.02 . 2 . . . . . . . . 5225 1 640 . 1 1 55 55 GLY HA3 H 1 3.69 0.02 . 2 . . . . . . . . 5225 1 641 . 1 1 55 55 GLY C C 13 174.16 0.1 . 1 . . . . . . . . 5225 1 642 . 1 1 55 55 GLY CA C 13 45.00 0.1 . 1 . . . . . . . . 5225 1 643 . 1 1 55 55 GLY N N 15 117.32 0.05 . 1 . . . . . . . . 5225 1 644 . 1 1 56 56 GLN H H 1 8.01 0.02 . 1 . . . . . . . . 5225 1 645 . 1 1 56 56 GLN HA H 1 4.27 0.02 . 1 . . . . . . . . 5225 1 646 . 1 1 56 56 GLN HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5225 1 647 . 1 1 56 56 GLN HB3 H 1 2.32 0.02 . 2 . . . . . . . . 5225 1 648 . 1 1 56 56 GLN HG2 H 1 2.40 0.02 . 2 . . . . . . . . 5225 1 649 . 1 1 56 56 GLN HG3 H 1 2.30 0.02 . 2 . . . . . . . . 5225 1 650 . 1 1 56 56 GLN HE21 H 1 7.60 0.02 . 1 . . . . . . . . 5225 1 651 . 1 1 56 56 GLN HE22 H 1 7.07 0.02 . 1 . . . . . . . . 5225 1 652 . 1 1 56 56 GLN C C 13 177.34 0.1 . 1 . . . . . . . . 5225 1 653 . 1 1 56 56 GLN CA C 13 58.06 0.1 . 1 . . . . . . . . 5225 1 654 . 1 1 56 56 GLN CB C 13 31.04 0.1 . 1 . . . . . . . . 5225 1 655 . 1 1 56 56 GLN CG C 13 34.38 0.1 . 1 . . . . . . . . 5225 1 656 . 1 1 56 56 GLN CD C 13 180.42 0.1 . 1 . . . . . . . . 5225 1 657 . 1 1 56 56 GLN N N 15 120.48 0.05 . 1 . . . . . . . . 5225 1 658 . 1 1 56 56 GLN NE2 N 15 112.51 0.1 . 1 . . . . . . . . 5225 1 659 . 1 1 57 57 MET H H 1 8.96 0.02 . 1 . . . . . . . . 5225 1 660 . 1 1 57 57 MET HA H 1 4.50 0.02 . 1 . . . . . . . . 5225 1 661 . 1 1 57 57 MET HB2 H 1 1.74 0.02 . 2 . . . . . . . . 5225 1 662 . 1 1 57 57 MET HB3 H 1 1.93 0.02 . 2 . . . . . . . . 5225 1 663 . 1 1 57 57 MET HG2 H 1 2.62 0.02 . 2 . . . . . . . . 5225 1 664 . 1 1 57 57 MET HG3 H 1 2.25 0.02 . 2 . . . . . . . . 5225 1 665 . 1 1 57 57 MET C C 13 175.55 0.1 . 1 . . . . . . . . 5225 1 666 . 1 1 57 57 MET CA C 13 53.19 0.1 . 1 . . . . . . . . 5225 1 667 . 1 1 57 57 MET CB C 13 33.82 0.1 . 1 . . . . . . . . 5225 1 668 . 1 1 57 57 MET CG C 13 34.35 0.1 . 1 . . . . . . . . 5225 1 669 . 1 1 57 57 MET N N 15 118.05 0.05 . 1 . . . . . . . . 5225 1 670 . 1 1 58 58 VAL H H 1 8.22 0.02 . 1 . . . . . . . . 5225 1 671 . 1 1 58 58 VAL HA H 1 4.43 0.02 . 1 . . . . . . . . 5225 1 672 . 1 1 58 58 VAL HB H 1 2.51 0.02 . 1 . . . . . . . . 5225 1 673 . 1 1 58 58 VAL HG11 H 1 1.15 0.02 . 2 . . . . . . . . 5225 1 674 . 1 1 58 58 VAL HG12 H 1 1.15 0.02 . 2 . . . . . . . . 5225 1 675 . 1 1 58 58 VAL HG13 H 1 1.15 0.02 . 2 . . . . . . . . 5225 1 676 . 1 1 58 58 VAL HG21 H 1 1.24 0.02 . 2 . . . . . . . . 5225 1 677 . 1 1 58 58 VAL HG22 H 1 1.24 0.02 . 2 . . . . . . . . 5225 1 678 . 1 1 58 58 VAL HG23 H 1 1.24 0.02 . 2 . . . . . . . . 5225 1 679 . 1 1 58 58 VAL CA C 13 60.92 0.1 . 1 . . . . . . . . 5225 1 680 . 1 1 58 58 VAL CB C 13 30.34 0.1 . 1 . . . . . . . . 5225 1 681 . 1 1 58 58 VAL CG1 C 13 19.29 0.1 . 2 . . . . . . . . 5225 1 682 . 1 1 58 58 VAL CG2 C 13 21.84 0.1 . 2 . . . . . . . . 5225 1 683 . 1 1 58 58 VAL N N 15 114.65 0.05 . 1 . . . . . . . . 5225 1 684 . 1 1 59 59 PRO HA H 1 4.35 0.02 . 1 . . . . . . . . 5225 1 685 . 1 1 59 59 PRO HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5225 1 686 . 1 1 59 59 PRO HB3 H 1 2.42 0.02 . 2 . . . . . . . . 5225 1 687 . 1 1 59 59 PRO HG2 H 1 2.19 0.02 . 2 . . . . . . . . 5225 1 688 . 1 1 59 59 PRO HG3 H 1 2.08 0.02 . 2 . . . . . . . . 5225 1 689 . 1 1 59 59 PRO HD2 H 1 3.95 0.02 . 2 . . . . . . . . 5225 1 690 . 1 1 59 59 PRO HD3 H 1 3.79 0.02 . 2 . . . . . . . . 5225 1 691 . 1 1 59 59 PRO C C 13 178.45 0.1 . 1 . . . . . . . . 5225 1 692 . 1 1 59 59 PRO CA C 13 67.33 0.1 . 1 . . . . . . . . 5225 1 693 . 1 1 59 59 PRO CB C 13 32.60 0.1 . 1 . . . . . . . . 5225 1 694 . 1 1 59 59 PRO CG C 13 27.79 0.1 . 1 . . . . . . . . 5225 1 695 . 1 1 59 59 PRO CD C 13 50.69 0.1 . 1 . . . . . . . . 5225 1 696 . 1 1 60 60 ALA H H 1 8.96 0.02 . 1 . . . . . . . . 5225 1 697 . 1 1 60 60 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . 5225 1 698 . 1 1 60 60 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 5225 1 699 . 1 1 60 60 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 5225 1 700 . 1 1 60 60 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 5225 1 701 . 1 1 60 60 ALA C C 13 179.43 0.1 . 1 . . . . . . . . 5225 1 702 . 1 1 60 60 ALA CA C 13 55.32 0.1 . 1 . . . . . . . . 5225 1 703 . 1 1 60 60 ALA CB C 13 19.24 0.1 . 1 . . . . . . . . 5225 1 704 . 1 1 60 60 ALA N N 15 117.94 0.05 . 1 . . . . . . . . 5225 1 705 . 1 1 61 61 PHE H H 1 7.43 0.02 . 1 . . . . . . . . 5225 1 706 . 1 1 61 61 PHE HA H 1 3.87 0.02 . 1 . . . . . . . . 5225 1 707 . 1 1 61 61 PHE HB2 H 1 2.37 0.02 . 2 . . . . . . . . 5225 1 708 . 1 1 61 61 PHE HB3 H 1 3.30 0.02 . 2 . . . . . . . . 5225 1 709 . 1 1 61 61 PHE HD1 H 1 6.35 0.02 . 1 . . . . . . . . 5225 1 710 . 1 1 61 61 PHE HD2 H 1 6.35 0.02 . 1 . . . . . . . . 5225 1 711 . 1 1 61 61 PHE HE1 H 1 6.85 0.02 . 1 . . . . . . . . 5225 1 712 . 1 1 61 61 PHE HE2 H 1 6.85 0.02 . 1 . . . . . . . . 5225 1 713 . 1 1 61 61 PHE C C 13 176.42 0.1 . 1 . . . . . . . . 5225 1 714 . 1 1 61 61 PHE CA C 13 59.94 0.1 . 1 . . . . . . . . 5225 1 715 . 1 1 61 61 PHE CB C 13 41.09 0.1 . 1 . . . . . . . . 5225 1 716 . 1 1 61 61 PHE CD1 C 13 130.85 0.1 . 1 . . . . . . . . 5225 1 717 . 1 1 61 61 PHE CD2 C 13 130.85 0.1 . 1 . . . . . . . . 5225 1 718 . 1 1 61 61 PHE CE1 C 13 131.32 0.1 . 1 . . . . . . . . 5225 1 719 . 1 1 61 61 PHE CE2 C 13 131.32 0.1 . 1 . . . . . . . . 5225 1 720 . 1 1 61 61 PHE N N 15 116.93 0.05 . 1 . . . . . . . . 5225 1 721 . 1 1 62 62 ASP H H 1 8.52 0.02 . 1 . . . . . . . . 5225 1 722 . 1 1 62 62 ASP HA H 1 4.30 0.02 . 1 . . . . . . . . 5225 1 723 . 1 1 62 62 ASP HB2 H 1 2.59 0.02 . 2 . . . . . . . . 5225 1 724 . 1 1 62 62 ASP HB3 H 1 2.78 0.02 . 2 . . . . . . . . 5225 1 725 . 1 1 62 62 ASP C C 13 177.37 0.1 . 1 . . . . . . . . 5225 1 726 . 1 1 62 62 ASP CA C 13 58.32 0.1 . 1 . . . . . . . . 5225 1 727 . 1 1 62 62 ASP CB C 13 43.57 0.1 . 1 . . . . . . . . 5225 1 728 . 1 1 62 62 ASP N N 15 120.27 0.05 . 1 . . . . . . . . 5225 1 729 . 1 1 63 63 LYS H H 1 8.47 0.02 . 1 . . . . . . . . 5225 1 730 . 1 1 63 63 LYS HA H 1 4.01 0.02 . 1 . . . . . . . . 5225 1 731 . 1 1 63 63 LYS HB2 H 1 1.86 0.02 . 1 . . . . . . . . 5225 1 732 . 1 1 63 63 LYS HB3 H 1 1.86 0.02 . 1 . . . . . . . . 5225 1 733 . 1 1 63 63 LYS HG2 H 1 1.08 0.02 . 1 . . . . . . . . 5225 1 734 . 1 1 63 63 LYS HG3 H 1 1.08 0.02 . 1 . . . . . . . . 5225 1 735 . 1 1 63 63 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 5225 1 736 . 1 1 63 63 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 5225 1 737 . 1 1 63 63 LYS C C 13 180.17 0.1 . 1 . . . . . . . . 5225 1 738 . 1 1 63 63 LYS CA C 13 59.17 0.1 . 1 . . . . . . . . 5225 1 739 . 1 1 63 63 LYS CB C 13 32.31 0.1 . 1 . . . . . . . . 5225 1 740 . 1 1 63 63 LYS CG C 13 25.16 0.1 . 1 . . . . . . . . 5225 1 741 . 1 1 63 63 LYS CD C 13 29.19 0.1 . 1 . . . . . . . . 5225 1 742 . 1 1 63 63 LYS CE C 13 42.25 0.1 . 1 . . . . . . . . 5225 1 743 . 1 1 63 63 LYS N N 15 115.17 0.05 . 1 . . . . . . . . 5225 1 744 . 1 1 64 64 VAL H H 1 6.87 0.02 . 1 . . . . . . . . 5225 1 745 . 1 1 64 64 VAL HA H 1 3.61 0.02 . 1 . . . . . . . . 5225 1 746 . 1 1 64 64 VAL HB H 1 1.83 0.02 . 1 . . . . . . . . 5225 1 747 . 1 1 64 64 VAL HG11 H 1 0.76 0.02 . 2 . . . . . . . . 5225 1 748 . 1 1 64 64 VAL HG12 H 1 0.76 0.02 . 2 . . . . . . . . 5225 1 749 . 1 1 64 64 VAL HG13 H 1 0.76 0.02 . 2 . . . . . . . . 5225 1 750 . 1 1 64 64 VAL HG21 H 1 1.06 0.02 . 2 . . . . . . . . 5225 1 751 . 1 1 64 64 VAL HG22 H 1 1.06 0.02 . 2 . . . . . . . . 5225 1 752 . 1 1 64 64 VAL HG23 H 1 1.06 0.02 . 2 . . . . . . . . 5225 1 753 . 1 1 64 64 VAL C C 13 179.51 0.1 . 1 . . . . . . . . 5225 1 754 . 1 1 64 64 VAL CA C 13 66.21 0.1 . 1 . . . . . . . . 5225 1 755 . 1 1 64 64 VAL CB C 13 32.24 0.1 . 1 . . . . . . . . 5225 1 756 . 1 1 64 64 VAL CG1 C 13 21.83 0.1 . 2 . . . . . . . . 5225 1 757 . 1 1 64 64 VAL CG2 C 13 23.49 0.1 . 2 . . . . . . . . 5225 1 758 . 1 1 64 64 VAL N N 15 118.52 0.05 . 1 . . . . . . . . 5225 1 759 . 1 1 65 65 VAL H H 1 8.13 0.02 . 1 . . . . . . . . 5225 1 760 . 1 1 65 65 VAL HA H 1 3.36 0.02 . 1 . . . . . . . . 5225 1 761 . 1 1 65 65 VAL HB H 1 1.75 0.02 . 1 . . . . . . . . 5225 1 762 . 1 1 65 65 VAL HG11 H 1 0.20 0.02 . 2 . . . . . . . . 5225 1 763 . 1 1 65 65 VAL HG12 H 1 0.20 0.02 . 2 . . . . . . . . 5225 1 764 . 1 1 65 65 VAL HG13 H 1 0.20 0.02 . 2 . . . . . . . . 5225 1 765 . 1 1 65 65 VAL HG21 H 1 0.65 0.02 . 2 . . . . . . . . 5225 1 766 . 1 1 65 65 VAL HG22 H 1 0.65 0.02 . 2 . . . . . . . . 5225 1 767 . 1 1 65 65 VAL HG23 H 1 0.65 0.02 . 2 . . . . . . . . 5225 1 768 . 1 1 65 65 VAL C C 13 176.03 0.1 . 1 . . . . . . . . 5225 1 769 . 1 1 65 65 VAL CA C 13 65.75 0.1 . 1 . . . . . . . . 5225 1 770 . 1 1 65 65 VAL CB C 13 31.11 0.1 . 1 . . . . . . . . 5225 1 771 . 1 1 65 65 VAL CG1 C 13 21.94 0.1 . 2 . . . . . . . . 5225 1 772 . 1 1 65 65 VAL CG2 C 13 23.89 0.1 . 2 . . . . . . . . 5225 1 773 . 1 1 65 65 VAL N N 15 118.56 0.05 . 1 . . . . . . . . 5225 1 774 . 1 1 66 66 PHE H H 1 7.61 0.02 . 1 . . . . . . . . 5225 1 775 . 1 1 66 66 PHE HA H 1 4.23 0.02 . 1 . . . . . . . . 5225 1 776 . 1 1 66 66 PHE HB2 H 1 2.84 0.02 . 2 . . . . . . . . 5225 1 777 . 1 1 66 66 PHE HB3 H 1 3.33 0.02 . 2 . . . . . . . . 5225 1 778 . 1 1 66 66 PHE HD1 H 1 7.48 0.02 . 1 . . . . . . . . 5225 1 779 . 1 1 66 66 PHE HD2 H 1 7.48 0.02 . 1 . . . . . . . . 5225 1 780 . 1 1 66 66 PHE HE1 H 1 7.06 0.02 . 1 . . . . . . . . 5225 1 781 . 1 1 66 66 PHE HE2 H 1 7.06 0.02 . 1 . . . . . . . . 5225 1 782 . 1 1 66 66 PHE C C 13 174.68 0.1 . 1 . . . . . . . . 5225 1 783 . 1 1 66 66 PHE CA C 13 60.55 0.1 . 1 . . . . . . . . 5225 1 784 . 1 1 66 66 PHE CB C 13 38.20 0.1 . 1 . . . . . . . . 5225 1 785 . 1 1 66 66 PHE CD1 C 13 132.34 0.1 . 1 . . . . . . . . 5225 1 786 . 1 1 66 66 PHE CD2 C 13 132.34 0.1 . 1 . . . . . . . . 5225 1 787 . 1 1 66 66 PHE N N 15 110.82 0.05 . 1 . . . . . . . . 5225 1 788 . 1 1 67 67 SER H H 1 7.68 0.02 . 1 . . . . . . . . 5225 1 789 . 1 1 67 67 SER HA H 1 4.74 0.02 . 1 . . . . . . . . 5225 1 790 . 1 1 67 67 SER HB2 H 1 3.84 0.02 . 2 . . . . . . . . 5225 1 791 . 1 1 67 67 SER HB3 H 1 3.92 0.02 . 2 . . . . . . . . 5225 1 792 . 1 1 67 67 SER C C 13 174.68 0.1 . 1 . . . . . . . . 5225 1 793 . 1 1 67 67 SER CA C 13 59.31 0.1 . 1 . . . . . . . . 5225 1 794 . 1 1 67 67 SER CB C 13 66.62 0.1 . 1 . . . . . . . . 5225 1 795 . 1 1 67 67 SER N N 15 112.17 0.05 . 1 . . . . . . . . 5225 1 796 . 1 1 68 68 CYS H H 1 8.32 0.02 . 1 . . . . . . . . 5225 1 797 . 1 1 68 68 CYS HA H 1 4.88 0.02 . 1 . . . . . . . . 5225 1 798 . 1 1 68 68 CYS HB2 H 1 2.83 0.02 . 2 . . . . . . . . 5225 1 799 . 1 1 68 68 CYS HB3 H 1 3.30 0.02 . 2 . . . . . . . . 5225 1 800 . 1 1 68 68 CYS CA C 13 57.00 0.1 . 1 . . . . . . . . 5225 1 801 . 1 1 68 68 CYS CB C 13 26.55 0.1 . 1 . . . . . . . . 5225 1 802 . 1 1 68 68 CYS N N 15 123.55 0.05 . 1 . . . . . . . . 5225 1 803 . 1 1 69 69 PRO HA H 1 4.48 0.02 . 1 . . . . . . . . 5225 1 804 . 1 1 69 69 PRO HB2 H 1 1.69 0.02 . 2 . . . . . . . . 5225 1 805 . 1 1 69 69 PRO HB3 H 1 2.31 0.02 . 2 . . . . . . . . 5225 1 806 . 1 1 69 69 PRO HG2 H 1 1.94 0.02 . 2 . . . . . . . . 5225 1 807 . 1 1 69 69 PRO HG3 H 1 2.09 0.02 . 2 . . . . . . . . 5225 1 808 . 1 1 69 69 PRO HD2 H 1 3.84 0.02 . 2 . . . . . . . . 5225 1 809 . 1 1 69 69 PRO HD3 H 1 3.49 0.02 . 2 . . . . . . . . 5225 1 810 . 1 1 69 69 PRO C C 13 177.72 0.1 . 1 . . . . . . . . 5225 1 811 . 1 1 69 69 PRO CA C 13 63.26 0.1 . 1 . . . . . . . . 5225 1 812 . 1 1 69 69 PRO CB C 13 31.38 0.1 . 1 . . . . . . . . 5225 1 813 . 1 1 69 69 PRO CG C 13 28.38 0.1 . 1 . . . . . . . . 5225 1 814 . 1 1 69 69 PRO CD C 13 51.04 0.1 . 1 . . . . . . . . 5225 1 815 . 1 1 70 70 VAL H H 1 8.58 0.02 . 1 . . . . . . . . 5225 1 816 . 1 1 70 70 VAL HA H 1 3.54 0.02 . 1 . . . . . . . . 5225 1 817 . 1 1 70 70 VAL HB H 1 1.96 0.02 . 1 . . . . . . . . 5225 1 818 . 1 1 70 70 VAL HG11 H 1 0.93 0.02 . 2 . . . . . . . . 5225 1 819 . 1 1 70 70 VAL HG12 H 1 0.93 0.02 . 2 . . . . . . . . 5225 1 820 . 1 1 70 70 VAL HG13 H 1 0.93 0.02 . 2 . . . . . . . . 5225 1 821 . 1 1 70 70 VAL HG21 H 1 0.87 0.02 . 2 . . . . . . . . 5225 1 822 . 1 1 70 70 VAL HG22 H 1 0.87 0.02 . 2 . . . . . . . . 5225 1 823 . 1 1 70 70 VAL HG23 H 1 0.87 0.02 . 2 . . . . . . . . 5225 1 824 . 1 1 70 70 VAL C C 13 175.72 0.1 . 1 . . . . . . . . 5225 1 825 . 1 1 70 70 VAL CA C 13 64.45 0.1 . 1 . . . . . . . . 5225 1 826 . 1 1 70 70 VAL CB C 13 31.86 0.1 . 1 . . . . . . . . 5225 1 827 . 1 1 70 70 VAL CG1 C 13 20.92 0.1 . 2 . . . . . . . . 5225 1 828 . 1 1 70 70 VAL CG2 C 13 22.02 0.1 . 2 . . . . . . . . 5225 1 829 . 1 1 70 70 VAL N N 15 123.80 0.05 . 1 . . . . . . . . 5225 1 830 . 1 1 71 71 LEU H H 1 9.14 0.02 . 1 . . . . . . . . 5225 1 831 . 1 1 71 71 LEU HA H 1 3.44 0.02 . 1 . . . . . . . . 5225 1 832 . 1 1 71 71 LEU HB2 H 1 1.63 0.02 . 2 . . . . . . . . 5225 1 833 . 1 1 71 71 LEU HB3 H 1 2.18 0.02 . 2 . . . . . . . . 5225 1 834 . 1 1 71 71 LEU HG H 1 1.72 0.02 . 1 . . . . . . . . 5225 1 835 . 1 1 71 71 LEU HD11 H 1 0.98 0.02 . 2 . . . . . . . . 5225 1 836 . 1 1 71 71 LEU HD12 H 1 0.98 0.02 . 2 . . . . . . . . 5225 1 837 . 1 1 71 71 LEU HD13 H 1 0.98 0.02 . 2 . . . . . . . . 5225 1 838 . 1 1 71 71 LEU HD21 H 1 0.96 0.02 . 2 . . . . . . . . 5225 1 839 . 1 1 71 71 LEU HD22 H 1 0.96 0.02 . 2 . . . . . . . . 5225 1 840 . 1 1 71 71 LEU HD23 H 1 0.96 0.02 . 2 . . . . . . . . 5225 1 841 . 1 1 71 71 LEU C C 13 175.72 0.1 . 1 . . . . . . . . 5225 1 842 . 1 1 71 71 LEU CA C 13 57.84 0.1 . 1 . . . . . . . . 5225 1 843 . 1 1 71 71 LEU CB C 13 39.78 0.1 . 1 . . . . . . . . 5225 1 844 . 1 1 71 71 LEU CG C 13 27.35 0.1 . 1 . . . . . . . . 5225 1 845 . 1 1 71 71 LEU CD1 C 13 25.85 0.1 . 2 . . . . . . . . 5225 1 846 . 1 1 71 71 LEU CD2 C 13 24.13 0.1 . 2 . . . . . . . . 5225 1 847 . 1 1 71 71 LEU N N 15 119.13 0.05 . 1 . . . . . . . . 5225 1 848 . 1 1 72 72 GLU H H 1 7.48 0.02 . 1 . . . . . . . . 5225 1 849 . 1 1 72 72 GLU HA H 1 4.90 0.02 . 1 . . . . . . . . 5225 1 850 . 1 1 72 72 GLU HB2 H 1 1.73 0.02 . 2 . . . . . . . . 5225 1 851 . 1 1 72 72 GLU HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5225 1 852 . 1 1 72 72 GLU HG2 H 1 2.14 0.02 . 1 . . . . . . . . 5225 1 853 . 1 1 72 72 GLU HG3 H 1 2.14 0.02 . 1 . . . . . . . . 5225 1 854 . 1 1 72 72 GLU CA C 13 53.37 0.1 . 1 . . . . . . . . 5225 1 855 . 1 1 72 72 GLU CB C 13 31.80 0.1 . 1 . . . . . . . . 5225 1 856 . 1 1 72 72 GLU CG C 13 35.44 0.1 . 1 . . . . . . . . 5225 1 857 . 1 1 72 72 GLU N N 15 120.10 0.05 . 1 . . . . . . . . 5225 1 858 . 1 1 73 73 PRO HA H 1 4.81 0.02 . 1 . . . . . . . . 5225 1 859 . 1 1 73 73 PRO HB2 H 1 1.94 0.02 . 1 . . . . . . . . 5225 1 860 . 1 1 73 73 PRO HB3 H 1 1.94 0.02 . 1 . . . . . . . . 5225 1 861 . 1 1 73 73 PRO HG2 H 1 1.91 0.02 . 2 . . . . . . . . 5225 1 862 . 1 1 73 73 PRO HG3 H 1 2.31 0.02 . 2 . . . . . . . . 5225 1 863 . 1 1 73 73 PRO HD2 H 1 3.95 0.02 . 2 . . . . . . . . 5225 1 864 . 1 1 73 73 PRO HD3 H 1 3.86 0.02 . 2 . . . . . . . . 5225 1 865 . 1 1 73 73 PRO C C 13 175.36 0.1 . 1 . . . . . . . . 5225 1 866 . 1 1 73 73 PRO CA C 13 63.35 0.1 . 1 . . . . . . . . 5225 1 867 . 1 1 73 73 PRO CB C 13 31.59 0.1 . 1 . . . . . . . . 5225 1 868 . 1 1 73 73 PRO CG C 13 28.61 0.1 . 1 . . . . . . . . 5225 1 869 . 1 1 73 73 PRO CD C 13 50.93 0.1 . 1 . . . . . . . . 5225 1 870 . 1 1 74 74 THR H H 1 9.46 0.02 . 1 . . . . . . . . 5225 1 871 . 1 1 74 74 THR HA H 1 4.79 0.02 . 1 . . . . . . . . 5225 1 872 . 1 1 74 74 THR HB H 1 3.95 0.02 . 1 . . . . . . . . 5225 1 873 . 1 1 74 74 THR HG21 H 1 1.09 0.02 . 1 . . . . . . . . 5225 1 874 . 1 1 74 74 THR HG22 H 1 1.09 0.02 . 1 . . . . . . . . 5225 1 875 . 1 1 74 74 THR HG23 H 1 1.09 0.02 . 1 . . . . . . . . 5225 1 876 . 1 1 74 74 THR C C 13 171.98 0.1 . 1 . . . . . . . . 5225 1 877 . 1 1 74 74 THR CA C 13 62.18 0.1 . 1 . . . . . . . . 5225 1 878 . 1 1 74 74 THR CB C 13 71.87 0.1 . 1 . . . . . . . . 5225 1 879 . 1 1 74 74 THR CG2 C 13 19.71 0.1 . 1 . . . . . . . . 5225 1 880 . 1 1 74 74 THR N N 15 121.16 0.05 . 1 . . . . . . . . 5225 1 881 . 1 1 75 75 GLY H H 1 8.25 0.02 . 1 . . . . . . . . 5225 1 882 . 1 1 75 75 GLY HA2 H 1 4.96 0.02 . 2 . . . . . . . . 5225 1 883 . 1 1 75 75 GLY HA3 H 1 3.60 0.02 . 2 . . . . . . . . 5225 1 884 . 1 1 75 75 GLY CA C 13 42.93 0.1 . 1 . . . . . . . . 5225 1 885 . 1 1 75 75 GLY N N 15 111.92 0.05 . 1 . . . . . . . . 5225 1 886 . 1 1 76 76 PRO HA H 1 4.93 0.02 . 1 . . . . . . . . 5225 1 887 . 1 1 76 76 PRO HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5225 1 888 . 1 1 76 76 PRO HB3 H 1 2.28 0.02 . 2 . . . . . . . . 5225 1 889 . 1 1 76 76 PRO HG2 H 1 2.15 0.02 . 2 . . . . . . . . 5225 1 890 . 1 1 76 76 PRO HG3 H 1 1.41 0.02 . 2 . . . . . . . . 5225 1 891 . 1 1 76 76 PRO HD2 H 1 3.77 0.02 . 2 . . . . . . . . 5225 1 892 . 1 1 76 76 PRO HD3 H 1 3.52 0.02 . 2 . . . . . . . . 5225 1 893 . 1 1 76 76 PRO C C 13 175.54 0.1 . 1 . . . . . . . . 5225 1 894 . 1 1 76 76 PRO CA C 13 61.01 0.1 . 1 . . . . . . . . 5225 1 895 . 1 1 76 76 PRO CB C 13 34.47 0.1 . 1 . . . . . . . . 5225 1 896 . 1 1 76 76 PRO CG C 13 26.31 0.1 . 1 . . . . . . . . 5225 1 897 . 1 1 76 76 PRO CD C 13 50.47 0.1 . 1 . . . . . . . . 5225 1 898 . 1 1 77 77 LEU H H 1 9.51 0.02 . 1 . . . . . . . . 5225 1 899 . 1 1 77 77 LEU HA H 1 4.90 0.02 . 1 . . . . . . . . 5225 1 900 . 1 1 77 77 LEU HB2 H 1 1.54 0.02 . 2 . . . . . . . . 5225 1 901 . 1 1 77 77 LEU HB3 H 1 1.82 0.02 . 2 . . . . . . . . 5225 1 902 . 1 1 77 77 LEU HG H 1 1.47 0.02 . 1 . . . . . . . . 5225 1 903 . 1 1 77 77 LEU HD21 H 1 0.91 0.02 . 2 . . . . . . . . 5225 1 904 . 1 1 77 77 LEU HD22 H 1 0.91 0.02 . 2 . . . . . . . . 5225 1 905 . 1 1 77 77 LEU HD23 H 1 0.91 0.02 . 2 . . . . . . . . 5225 1 906 . 1 1 77 77 LEU C C 13 175.54 0.1 . 1 . . . . . . . . 5225 1 907 . 1 1 77 77 LEU CA C 13 53.52 0.1 . 1 . . . . . . . . 5225 1 908 . 1 1 77 77 LEU CB C 13 44.55 0.1 . 1 . . . . . . . . 5225 1 909 . 1 1 77 77 LEU CG C 13 27.29 0.1 . 1 . . . . . . . . 5225 1 910 . 1 1 77 77 LEU CD1 C 13 26.66 0.1 . 2 . . . . . . . . 5225 1 911 . 1 1 77 77 LEU CD2 C 13 23.55 0.1 . 2 . . . . . . . . 5225 1 912 . 1 1 77 77 LEU N N 15 127.98 0.05 . 1 . . . . . . . . 5225 1 913 . 1 1 78 78 HIS H H 1 9.59 0.02 . 1 . . . . . . . . 5225 1 914 . 1 1 78 78 HIS HA H 1 5.18 0.02 . 1 . . . . . . . . 5225 1 915 . 1 1 78 78 HIS HB2 H 1 2.98 0.02 . 2 . . . . . . . . 5225 1 916 . 1 1 78 78 HIS HB3 H 1 3.26 0.02 . 2 . . . . . . . . 5225 1 917 . 1 1 78 78 HIS HD2 H 1 6.27 0.02 . 1 . . . . . . . . 5225 1 918 . 1 1 78 78 HIS HE1 H 1 7.55 0.02 . 1 . . . . . . . . 5225 1 919 . 1 1 78 78 HIS C C 13 174.42 0.1 . 1 . . . . . . . . 5225 1 920 . 1 1 78 78 HIS CA C 13 53.79 0.1 . 1 . . . . . . . . 5225 1 921 . 1 1 78 78 HIS CB C 13 30.26 0.1 . 1 . . . . . . . . 5225 1 922 . 1 1 78 78 HIS CD2 C 13 119.11 0.1 . 1 . . . . . . . . 5225 1 923 . 1 1 78 78 HIS CE1 C 13 136.75 0.1 . 1 . . . . . . . . 5225 1 924 . 1 1 78 78 HIS N N 15 128.98 0.05 . 1 . . . . . . . . 5225 1 925 . 1 1 79 79 THR H H 1 9.13 0.02 . 1 . . . . . . . . 5225 1 926 . 1 1 79 79 THR HA H 1 4.59 0.02 . 1 . . . . . . . . 5225 1 927 . 1 1 79 79 THR HB H 1 4.66 0.02 . 1 . . . . . . . . 5225 1 928 . 1 1 79 79 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 5225 1 929 . 1 1 79 79 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 5225 1 930 . 1 1 79 79 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 5225 1 931 . 1 1 79 79 THR C C 13 175.32 0.1 . 1 . . . . . . . . 5225 1 932 . 1 1 79 79 THR CA C 13 60.84 0.1 . 1 . . . . . . . . 5225 1 933 . 1 1 79 79 THR CB C 13 72.83 0.1 . 1 . . . . . . . . 5225 1 934 . 1 1 79 79 THR CG2 C 13 20.94 0.1 . 1 . . . . . . . . 5225 1 935 . 1 1 79 79 THR N N 15 119.27 0.05 . 1 . . . . . . . . 5225 1 936 . 1 1 80 80 GLN H H 1 9.00 0.02 . 1 . . . . . . . . 5225 1 937 . 1 1 80 80 GLN HA H 1 4.04 0.02 . 1 . . . . . . . . 5225 1 938 . 1 1 80 80 GLN HB2 H 1 1.75 0.02 . 2 . . . . . . . . 5225 1 939 . 1 1 80 80 GLN HB3 H 1 1.87 0.02 . 2 . . . . . . . . 5225 1 940 . 1 1 80 80 GLN HG2 H 1 1.93 0.02 . 1 . . . . . . . . 5225 1 941 . 1 1 80 80 GLN HG3 H 1 1.93 0.02 . 1 . . . . . . . . 5225 1 942 . 1 1 80 80 GLN C C 13 176.21 0.1 . 1 . . . . . . . . 5225 1 943 . 1 1 80 80 GLN CA C 13 57.30 0.1 . 1 . . . . . . . . 5225 1 944 . 1 1 80 80 GLN CB C 13 28.68 0.1 . 1 . . . . . . . . 5225 1 945 . 1 1 80 80 GLN CG C 13 32.29 0.1 . 1 . . . . . . . . 5225 1 946 . 1 1 80 80 GLN N N 15 116.23 0.05 . 1 . . . . . . . . 5225 1 947 . 1 1 81 81 PHE H H 1 8.44 0.02 . 1 . . . . . . . . 5225 1 948 . 1 1 81 81 PHE HA H 1 4.52 0.02 . 1 . . . . . . . . 5225 1 949 . 1 1 81 81 PHE HB2 H 1 2.75 0.02 . 2 . . . . . . . . 5225 1 950 . 1 1 81 81 PHE HB3 H 1 3.29 0.02 . 2 . . . . . . . . 5225 1 951 . 1 1 81 81 PHE HD1 H 1 7.37 0.02 . 1 . . . . . . . . 5225 1 952 . 1 1 81 81 PHE HD2 H 1 7.37 0.02 . 1 . . . . . . . . 5225 1 953 . 1 1 81 81 PHE HE1 H 1 7.26 0.02 . 1 . . . . . . . . 5225 1 954 . 1 1 81 81 PHE HE2 H 1 7.26 0.02 . 1 . . . . . . . . 5225 1 955 . 1 1 81 81 PHE C C 13 175.33 0.1 . 1 . . . . . . . . 5225 1 956 . 1 1 81 81 PHE CA C 13 58.25 0.1 . 1 . . . . . . . . 5225 1 957 . 1 1 81 81 PHE CB C 13 39.32 0.1 . 1 . . . . . . . . 5225 1 958 . 1 1 81 81 PHE N N 15 118.37 0.05 . 1 . . . . . . . . 5225 1 959 . 1 1 82 82 GLY H H 1 7.37 0.02 . 1 . . . . . . . . 5225 1 960 . 1 1 82 82 GLY HA2 H 1 4.29 0.02 . 2 . . . . . . . . 5225 1 961 . 1 1 82 82 GLY HA3 H 1 3.68 0.02 . 2 . . . . . . . . 5225 1 962 . 1 1 82 82 GLY C C 13 170.11 0.1 . 1 . . . . . . . . 5225 1 963 . 1 1 82 82 GLY CA C 13 44.60 0.1 . 1 . . . . . . . . 5225 1 964 . 1 1 82 82 GLY N N 15 106.93 0.05 . 1 . . . . . . . . 5225 1 965 . 1 1 83 83 TYR H H 1 9.09 0.02 . 1 . . . . . . . . 5225 1 966 . 1 1 83 83 TYR HA H 1 5.31 0.02 . 1 . . . . . . . . 5225 1 967 . 1 1 83 83 TYR HB2 H 1 2.56 0.02 . 2 . . . . . . . . 5225 1 968 . 1 1 83 83 TYR HB3 H 1 2.31 0.02 . 2 . . . . . . . . 5225 1 969 . 1 1 83 83 TYR HD1 H 1 6.73 0.02 . 1 . . . . . . . . 5225 1 970 . 1 1 83 83 TYR HD2 H 1 6.73 0.02 . 1 . . . . . . . . 5225 1 971 . 1 1 83 83 TYR HE1 H 1 6.77 0.02 . 1 . . . . . . . . 5225 1 972 . 1 1 83 83 TYR HE2 H 1 6.77 0.02 . 1 . . . . . . . . 5225 1 973 . 1 1 83 83 TYR C C 13 174.91 0.1 . 1 . . . . . . . . 5225 1 974 . 1 1 83 83 TYR CA C 13 57.31 0.1 . 1 . . . . . . . . 5225 1 975 . 1 1 83 83 TYR CB C 13 40.72 0.1 . 1 . . . . . . . . 5225 1 976 . 1 1 83 83 TYR CD1 C 13 132.35 0.1 . 1 . . . . . . . . 5225 1 977 . 1 1 83 83 TYR CD2 C 13 132.35 0.1 . 1 . . . . . . . . 5225 1 978 . 1 1 83 83 TYR CE1 C 13 118.22 0.1 . 1 . . . . . . . . 5225 1 979 . 1 1 83 83 TYR CE2 C 13 118.22 0.1 . 1 . . . . . . . . 5225 1 980 . 1 1 83 83 TYR N N 15 120.27 0.05 . 1 . . . . . . . . 5225 1 981 . 1 1 84 84 HIS H H 1 9.92 0.02 . 1 . . . . . . . . 5225 1 982 . 1 1 84 84 HIS HA H 1 6.09 0.02 . 1 . . . . . . . . 5225 1 983 . 1 1 84 84 HIS HB2 H 1 3.18 0.02 . 2 . . . . . . . . 5225 1 984 . 1 1 84 84 HIS HB3 H 1 3.29 0.02 . 2 . . . . . . . . 5225 1 985 . 1 1 84 84 HIS HD2 H 1 7.31 0.02 . 1 . . . . . . . . 5225 1 986 . 1 1 84 84 HIS HE1 H 1 8.18 0.02 . 1 . . . . . . . . 5225 1 987 . 1 1 84 84 HIS C C 13 177.46 0.1 . 1 . . . . . . . . 5225 1 988 . 1 1 84 84 HIS CA C 13 54.20 0.1 . 1 . . . . . . . . 5225 1 989 . 1 1 84 84 HIS CB C 13 31.66 0.1 . 1 . . . . . . . . 5225 1 990 . 1 1 84 84 HIS CD2 C 13 131.08 0.1 . 1 . . . . . . . . 5225 1 991 . 1 1 84 84 HIS CE1 C 13 136.46 0.1 . 1 . . . . . . . . 5225 1 992 . 1 1 84 84 HIS N N 15 119.95 0.05 . 1 . . . . . . . . 5225 1 993 . 1 1 85 85 ILE H H 1 9.13 0.02 . 1 . . . . . . . . 5225 1 994 . 1 1 85 85 ILE HA H 1 4.85 0.02 . 1 . . . . . . . . 5225 1 995 . 1 1 85 85 ILE HB H 1 1.63 0.02 . 1 . . . . . . . . 5225 1 996 . 1 1 85 85 ILE HG12 H 1 1.44 0.02 . 1 . . . . . . . . 5225 1 997 . 1 1 85 85 ILE HG13 H 1 1.44 0.02 . 1 . . . . . . . . 5225 1 998 . 1 1 85 85 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5225 1 999 . 1 1 85 85 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5225 1 1000 . 1 1 85 85 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5225 1 1001 . 1 1 85 85 ILE HD11 H 1 0.80 0.02 . 1 . . . . . . . . 5225 1 1002 . 1 1 85 85 ILE HD12 H 1 0.80 0.02 . 1 . . . . . . . . 5225 1 1003 . 1 1 85 85 ILE HD13 H 1 0.80 0.02 . 1 . . . . . . . . 5225 1 1004 . 1 1 85 85 ILE C C 13 175.93 0.1 . 1 . . . . . . . . 5225 1 1005 . 1 1 85 85 ILE CA C 13 60.49 0.1 . 1 . . . . . . . . 5225 1 1006 . 1 1 85 85 ILE CB C 13 40.00 0.1 . 1 . . . . . . . . 5225 1 1007 . 1 1 85 85 ILE CG1 C 13 27.81 0.1 . 1 . . . . . . . . 5225 1 1008 . 1 1 85 85 ILE CG2 C 13 18.95 0.1 . 1 . . . . . . . . 5225 1 1009 . 1 1 85 85 ILE N N 15 122.07 0.05 . 1 . . . . . . . . 5225 1 1010 . 1 1 86 86 ILE H H 1 9.25 0.02 . 1 . . . . . . . . 5225 1 1011 . 1 1 86 86 ILE HA H 1 5.07 0.02 . 1 . . . . . . . . 5225 1 1012 . 1 1 86 86 ILE HB H 1 1.43 0.02 . 1 . . . . . . . . 5225 1 1013 . 1 1 86 86 ILE HG12 H 1 1.54 0.02 . 1 . . . . . . . . 5225 1 1014 . 1 1 86 86 ILE HG13 H 1 1.54 0.02 . 1 . . . . . . . . 5225 1 1015 . 1 1 86 86 ILE HG21 H 1 0.67 0.02 . 1 . . . . . . . . 5225 1 1016 . 1 1 86 86 ILE HG22 H 1 0.67 0.02 . 1 . . . . . . . . 5225 1 1017 . 1 1 86 86 ILE HG23 H 1 0.67 0.02 . 1 . . . . . . . . 5225 1 1018 . 1 1 86 86 ILE HD11 H 1 0.31 0.02 . 1 . . . . . . . . 5225 1 1019 . 1 1 86 86 ILE HD12 H 1 0.31 0.02 . 1 . . . . . . . . 5225 1 1020 . 1 1 86 86 ILE HD13 H 1 0.31 0.02 . 1 . . . . . . . . 5225 1 1021 . 1 1 86 86 ILE C C 13 174.11 0.1 . 1 . . . . . . . . 5225 1 1022 . 1 1 86 86 ILE CA C 13 60.60 0.1 . 1 . . . . . . . . 5225 1 1023 . 1 1 86 86 ILE CB C 13 43.12 0.1 . 1 . . . . . . . . 5225 1 1024 . 1 1 86 86 ILE CG1 C 13 28.84 0.1 . 1 . . . . . . . . 5225 1 1025 . 1 1 86 86 ILE CG2 C 13 18.02 0.1 . 1 . . . . . . . . 5225 1 1026 . 1 1 86 86 ILE CD1 C 13 15.38 0.1 . 1 . . . . . . . . 5225 1 1027 . 1 1 86 86 ILE N N 15 126.63 0.05 . 1 . . . . . . . . 5225 1 1028 . 1 1 87 87 LYS H H 1 8.76 0.02 . 1 . . . . . . . . 5225 1 1029 . 1 1 87 87 LYS HA H 1 4.18 0.02 . 1 . . . . . . . . 5225 1 1030 . 1 1 87 87 LYS HB2 H 1 0.94 0.02 . 1 . . . . . . . . 5225 1 1031 . 1 1 87 87 LYS HB3 H 1 0.94 0.02 . 1 . . . . . . . . 5225 1 1032 . 1 1 87 87 LYS HG2 H 1 0.65 0.02 . 1 . . . . . . . . 5225 1 1033 . 1 1 87 87 LYS HG3 H 1 0.65 0.02 . 1 . . . . . . . . 5225 1 1034 . 1 1 87 87 LYS HD2 H 1 1.26 0.02 . 2 . . . . . . . . 5225 1 1035 . 1 1 87 87 LYS HD3 H 1 1.08 0.02 . 2 . . . . . . . . 5225 1 1036 . 1 1 87 87 LYS HE2 H 1 2.43 0.02 . 2 . . . . . . . . 5225 1 1037 . 1 1 87 87 LYS HE3 H 1 2.52 0.02 . 2 . . . . . . . . 5225 1 1038 . 1 1 87 87 LYS C C 13 173.61 0.1 . 1 . . . . . . . . 5225 1 1039 . 1 1 87 87 LYS CA C 13 56.16 0.1 . 1 . . . . . . . . 5225 1 1040 . 1 1 87 87 LYS CB C 13 36.54 0.1 . 1 . . . . . . . . 5225 1 1041 . 1 1 87 87 LYS CG C 13 25.62 0.1 . 1 . . . . . . . . 5225 1 1042 . 1 1 87 87 LYS CD C 13 30.34 0.1 . 1 . . . . . . . . 5225 1 1043 . 1 1 87 87 LYS CE C 13 41.96 0.1 . 1 . . . . . . . . 5225 1 1044 . 1 1 87 87 LYS N N 15 126.09 0.05 . 1 . . . . . . . . 5225 1 1045 . 1 1 88 88 VAL H H 1 9.74 0.02 . 1 . . . . . . . . 5225 1 1046 . 1 1 88 88 VAL HA H 1 3.89 0.02 . 1 . . . . . . . . 5225 1 1047 . 1 1 88 88 VAL HB H 1 1.71 0.02 . 1 . . . . . . . . 5225 1 1048 . 1 1 88 88 VAL HG11 H 1 0.72 0.02 . 2 . . . . . . . . 5225 1 1049 . 1 1 88 88 VAL HG12 H 1 0.72 0.02 . 2 . . . . . . . . 5225 1 1050 . 1 1 88 88 VAL HG13 H 1 0.72 0.02 . 2 . . . . . . . . 5225 1 1051 . 1 1 88 88 VAL HG21 H 1 0.86 0.02 . 2 . . . . . . . . 5225 1 1052 . 1 1 88 88 VAL HG22 H 1 0.86 0.02 . 2 . . . . . . . . 5225 1 1053 . 1 1 88 88 VAL HG23 H 1 0.86 0.02 . 2 . . . . . . . . 5225 1 1054 . 1 1 88 88 VAL C C 13 175.77 0.1 . 1 . . . . . . . . 5225 1 1055 . 1 1 88 88 VAL CA C 13 63.70 0.1 . 1 . . . . . . . . 5225 1 1056 . 1 1 88 88 VAL CB C 13 32.42 0.1 . 1 . . . . . . . . 5225 1 1057 . 1 1 88 88 VAL CG1 C 13 22.28 0.1 . 2 . . . . . . . . 5225 1 1058 . 1 1 88 88 VAL CG2 C 13 24.01 0.1 . 2 . . . . . . . . 5225 1 1059 . 1 1 88 88 VAL N N 15 130.04 0.05 . 1 . . . . . . . . 5225 1 1060 . 1 1 89 89 LEU H H 1 8.79 0.02 . 1 . . . . . . . . 5225 1 1061 . 1 1 89 89 LEU HA H 1 4.18 0.02 . 1 . . . . . . . . 5225 1 1062 . 1 1 89 89 LEU HB2 H 1 1.51 0.02 . 2 . . . . . . . . 5225 1 1063 . 1 1 89 89 LEU HB3 H 1 1.29 0.02 . 2 . . . . . . . . 5225 1 1064 . 1 1 89 89 LEU HG H 1 1.39 0.02 . 1 . . . . . . . . 5225 1 1065 . 1 1 89 89 LEU HD11 H 1 0.78 0.02 . 2 . . . . . . . . 5225 1 1066 . 1 1 89 89 LEU HD12 H 1 0.78 0.02 . 2 . . . . . . . . 5225 1 1067 . 1 1 89 89 LEU HD13 H 1 0.78 0.02 . 2 . . . . . . . . 5225 1 1068 . 1 1 89 89 LEU HD21 H 1 0.71 0.02 . 2 . . . . . . . . 5225 1 1069 . 1 1 89 89 LEU HD22 H 1 0.71 0.02 . 2 . . . . . . . . 5225 1 1070 . 1 1 89 89 LEU HD23 H 1 0.71 0.02 . 2 . . . . . . . . 5225 1 1071 . 1 1 89 89 LEU C C 13 177.37 0.1 . 1 . . . . . . . . 5225 1 1072 . 1 1 89 89 LEU CA C 13 56.39 0.1 . 1 . . . . . . . . 5225 1 1073 . 1 1 89 89 LEU CB C 13 42.54 0.1 . 1 . . . . . . . . 5225 1 1074 . 1 1 89 89 LEU CG C 13 27.35 0.1 . 1 . . . . . . . . 5225 1 1075 . 1 1 89 89 LEU CD1 C 13 25.28 0.1 . 2 . . . . . . . . 5225 1 1076 . 1 1 89 89 LEU CD2 C 13 22.17 0.1 . 2 . . . . . . . . 5225 1 1077 . 1 1 89 89 LEU N N 15 128.45 0.05 . 1 . . . . . . . . 5225 1 1078 . 1 1 90 90 TYR H H 1 7.02 0.02 . 1 . . . . . . . . 5225 1 1079 . 1 1 90 90 TYR HA H 1 4.49 0.02 . 1 . . . . . . . . 5225 1 1080 . 1 1 90 90 TYR HB2 H 1 3.29 0.02 . 2 . . . . . . . . 5225 1 1081 . 1 1 90 90 TYR HB3 H 1 2.91 0.02 . 2 . . . . . . . . 5225 1 1082 . 1 1 90 90 TYR HD1 H 1 6.63 0.02 . 1 . . . . . . . . 5225 1 1083 . 1 1 90 90 TYR HD2 H 1 6.63 0.02 . 1 . . . . . . . . 5225 1 1084 . 1 1 90 90 TYR HE1 H 1 6.51 0.02 . 1 . . . . . . . . 5225 1 1085 . 1 1 90 90 TYR HE2 H 1 6.51 0.02 . 1 . . . . . . . . 5225 1 1086 . 1 1 90 90 TYR C C 13 172.59 0.1 . 1 . . . . . . . . 5225 1 1087 . 1 1 90 90 TYR CA C 13 56.49 0.1 . 1 . . . . . . . . 5225 1 1088 . 1 1 90 90 TYR CB C 13 38.82 0.1 . 1 . . . . . . . . 5225 1 1089 . 1 1 90 90 TYR CD1 C 13 133.83 0.1 . 1 . . . . . . . . 5225 1 1090 . 1 1 90 90 TYR CD2 C 13 133.83 0.1 . 1 . . . . . . . . 5225 1 1091 . 1 1 90 90 TYR CE1 C 13 117.67 0.1 . 1 . . . . . . . . 5225 1 1092 . 1 1 90 90 TYR CE2 C 13 117.67 0.1 . 1 . . . . . . . . 5225 1 1093 . 1 1 90 90 TYR N N 15 111.06 0.05 . 1 . . . . . . . . 5225 1 1094 . 1 1 91 91 ARG H H 1 8.36 0.02 . 1 . . . . . . . . 5225 1 1095 . 1 1 91 91 ARG HA H 1 5.06 0.02 . 1 . . . . . . . . 5225 1 1096 . 1 1 91 91 ARG HB2 H 1 1.63 0.02 . 2 . . . . . . . . 5225 1 1097 . 1 1 91 91 ARG HB3 H 1 1.71 0.02 . 2 . . . . . . . . 5225 1 1098 . 1 1 91 91 ARG HG2 H 1 1.41 0.02 . 2 . . . . . . . . 5225 1 1099 . 1 1 91 91 ARG HG3 H 1 1.47 0.02 . 2 . . . . . . . . 5225 1 1100 . 1 1 91 91 ARG HD2 H 1 3.15 0.02 . 2 . . . . . . . . 5225 1 1101 . 1 1 91 91 ARG HD3 H 1 3.10 0.02 . 2 . . . . . . . . 5225 1 1102 . 1 1 91 91 ARG C C 13 174.19 0.1 . 1 . . . . . . . . 5225 1 1103 . 1 1 91 91 ARG CA C 13 56.01 0.1 . 1 . . . . . . . . 5225 1 1104 . 1 1 91 91 ARG CB C 13 34.18 0.1 . 1 . . . . . . . . 5225 1 1105 . 1 1 91 91 ARG CG C 13 28.04 0.1 . 1 . . . . . . . . 5225 1 1106 . 1 1 91 91 ARG CD C 13 44.49 0.1 . 1 . . . . . . . . 5225 1 1107 . 1 1 91 91 ARG N N 15 117.52 0.05 . 1 . . . . . . . . 5225 1 1108 . 1 1 92 92 ASN H H 1 8.80 0.02 . 1 . . . . . . . . 5225 1 1109 . 1 1 92 92 ASN HA H 1 4.71 0.02 . 1 . . . . . . . . 5225 1 1110 . 1 1 92 92 ASN HB2 H 1 2.79 0.02 . 1 . . . . . . . . 5225 1 1111 . 1 1 92 92 ASN HB3 H 1 2.79 0.02 . 1 . . . . . . . . 5225 1 1112 . 1 1 92 92 ASN HD21 H 1 7.48 0.02 . 2 . . . . . . . . 5225 1 1113 . 1 1 92 92 ASN HD22 H 1 6.73 0.02 . 2 . . . . . . . . 5225 1 1114 . 1 1 92 92 ASN CA C 13 54.66 0.1 . 1 . . . . . . . . 5225 1 1115 . 1 1 92 92 ASN CB C 13 41.21 0.1 . 1 . . . . . . . . 5225 1 1116 . 1 1 92 92 ASN CG C 13 178.16 0.1 . 1 . . . . . . . . 5225 1 1117 . 1 1 92 92 ASN N N 15 127.17 0.05 . 1 . . . . . . . . 5225 1 1118 . 1 1 92 92 ASN ND2 N 15 112.37 0.05 . 1 . . . . . . . . 5225 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 145 5225 1 1 144 5225 1 1 143 5225 1 1 142 5225 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_set_1 _Coupling_constant_list.Entry_ID 5225 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 5225 1 . . 2 $sample_2 . 5225 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 2 2 LYS H H 1 . . 1 1 2 2 LYS HA H 1 . 7.6 . . 0.5 . . . . . . . . . . . 5225 1 2 3JHNHA . 1 1 3 3 THR H H 1 . . 1 1 3 3 THR HA H 1 . 9.0 . . 0.5 . . . . . . . . . . . 5225 1 3 3JHNHA . 1 1 4 4 ALA H H 1 . . 1 1 4 4 ALA HA H 1 . 7.8 . . 0.5 . . . . . . . . . . . 5225 1 4 3JHNHA . 1 1 5 5 ALA H H 1 . . 1 1 5 5 ALA HA H 1 . 8.9 . . 0.5 . . . . . . . . . . . 5225 1 5 3JHNHA . 1 1 6 6 ALA H H 1 . . 1 1 6 6 ALA HA H 1 . 7.6 . . 0.5 . . . . . . . . . . . 5225 1 6 3JHNHA . 1 1 7 7 LEU H H 1 . . 1 1 7 7 LEU HA H 1 . 9.1 . . 0.5 . . . . . . . . . . . 5225 1 7 3JHNHA . 1 1 8 8 HIS H H 1 . . 1 1 8 8 HIS HA H 1 . 6.3 . . 0.5 . . . . . . . . . . . 5225 1 8 3JHNHA . 1 1 9 9 ILE H H 1 . . 1 1 9 9 ILE HA H 1 . 8.4 . . 0.5 . . . . . . . . . . . 5225 1 9 3JHNHA . 1 1 10 10 LEU H H 1 . . 1 1 10 10 LEU HA H 1 . 6.0 . . 0.5 . . . . . . . . . . . 5225 1 10 3JHNHA . 1 1 11 11 VAL H H 1 . . 1 1 11 11 VAL HA H 1 . 8.2 . . 0.5 . . . . . . . . . . . 5225 1 11 3JHNHA . 1 1 12 12 LYS H H 1 . . 1 1 12 12 LYS HA H 1 . 5.3 . . 0.5 . . . . . . . . . . . 5225 1 12 3JHNHA . 1 1 13 13 GLU H H 1 . . 1 1 13 13 GLU HA H 1 . 8.0 . . 0.5 . . . . . . . . . . . 5225 1 13 3JHNHA . 1 1 14 14 GLU H H 1 . . 1 1 14 14 GLU HA H 1 . 3.2 . . 0.5 . . . . . . . . . . . 5225 1 14 3JHNHA . 1 1 15 15 LYS H H 1 . . 1 1 15 15 LYS HA H 1 . 2.6 . . 0.5 . . . . . . . . . . . 5225 1 15 3JHNHA . 1 1 16 16 LEU H H 1 . . 1 1 16 16 LEU HA H 1 . 5.4 . . 0.5 . . . . . . . . . . . 5225 1 16 3JHNHA . 1 1 17 17 ALA H H 1 . . 1 1 17 17 ALA HA H 1 . 3.6 . . 0.5 . . . . . . . . . . . 5225 1 17 3JHNHA . 1 1 18 18 LEU H H 1 . . 1 1 18 18 LEU HA H 1 . 4.0 . . 0.5 . . . . . . . . . . . 5225 1 18 3JHNHA . 1 1 19 19 ASP H H 1 . . 1 1 19 19 ASP HA H 1 . 4.0 . . 0.5 . . . . . . . . . . . 5225 1 19 3JHNHA . 1 1 20 20 LEU H H 1 . . 1 1 20 20 LEU HA H 1 . 4.3 . . 0.5 . . . . . . . . . . . 5225 1 20 3JHNHA . 1 1 21 21 LEU H H 1 . . 1 1 21 21 LEU HA H 1 . 3.2 . . 0.5 . . . . . . . . . . . 5225 1 21 3JHNHA . 1 1 22 22 GLU H H 1 . . 1 1 22 22 GLU HA H 1 . 4.3 . . 0.5 . . . . . . . . . . . 5225 1 22 3JHNHA . 1 1 23 23 GLN H H 1 . . 1 1 23 23 GLN HA H 1 . 4.5 . . 0.5 . . . . . . . . . . . 5225 1 23 3JHNHA . 1 1 24 24 ILE H H 1 . . 1 1 24 24 ILE HA H 1 . 5.1 . . 0.5 . . . . . . . . . . . 5225 1 24 3JHNHA . 1 1 25 25 LYS H H 1 . . 1 1 25 25 LYS HA H 1 . 4.5 . . 0.5 . . . . . . . . . . . 5225 1 25 3JHNHA . 1 1 26 26 ASN H H 1 . . 1 1 26 26 ASN HA H 1 . 3.5 . . 0.5 . . . . . . . . . . . 5225 1 26 3JHNHA . 1 1 28 28 ALA H H 1 . . 1 1 28 28 ALA HA H 1 . 4.7 . . 0.5 . . . . . . . . . . . 5225 1 27 3JHNHA . 1 1 29 29 ASP H H 1 . . 1 1 29 29 ASP HA H 1 . 4.8 . . 0.5 . . . . . . . . . . . 5225 1 28 3JHNHA . 1 1 32 32 LYS H H 1 . . 1 1 32 32 LYS HA H 1 . 5.3 . . 0.5 . . . . . . . . . . . 5225 1 29 3JHNHA . 1 1 33 33 LEU H H 1 . . 1 1 33 33 LEU HA H 1 . 5.2 . . 0.5 . . . . . . . . . . . 5225 1 30 3JHNHA . 1 1 35 35 LYS H H 1 . . 1 1 35 35 LYS HA H 1 . 3.6 . . 0.5 . . . . . . . . . . . 5225 1 31 3JHNHA . 1 1 36 36 LYS H H 1 . . 1 1 36 36 LYS HA H 1 . 5.8 . . 0.5 . . . . . . . . . . . 5225 1 32 3JHNHA . 1 1 37 37 HIS H H 1 . . 1 1 37 37 HIS HA H 1 . 9.1 . . 0.5 . . . . . . . . . . . 5225 1 33 3JHNHA . 1 1 38 38 SER H H 1 . . 1 1 38 38 SER HA H 1 . 4.3 . . 0.5 . . . . . . . . . . . 5225 1 34 3JHNHA . 1 1 39 39 ILE H H 1 . . 1 1 39 39 ILE HA H 1 . 8.7 . . 0.5 . . . . . . . . . . . 5225 1 35 3JHNHA . 1 1 40 40 CYS H H 1 . . 1 1 40 40 CYS HA H 1 . 7.2 . . 0.5 . . . . . . . . . . . 5225 1 36 3JHNHA . 1 1 44 44 LYS H H 1 . . 1 1 44 44 LYS HA H 1 . 3.9 . . 0.5 . . . . . . . . . . . 5225 1 37 3JHNHA . 1 1 45 45 ARG H H 1 . . 1 1 45 45 ARG HA H 1 . 9.7 . . 0.5 . . . . . . . . . . . 5225 1 38 3JHNHA . 1 1 48 48 ASP H H 1 . . 1 1 48 48 ASP HA H 1 . 4.4 . . 0.5 . . . . . . . . . . . 5225 1 39 3JHNHA . 1 1 49 49 LEU H H 1 . . 1 1 49 49 LEU HA H 1 . 7.7 . . 0.5 . . . . . . . . . . . 5225 1 40 3JHNHA . 1 1 51 51 GLU H H 1 . . 1 1 51 51 GLU HA H 1 . 9.6 . . 0.5 . . . . . . . . . . . 5225 1 41 3JHNHA . 1 1 52 52 PHE H H 1 . . 1 1 52 52 PHE HA H 1 . 7.8 . . 0.5 . . . . . . . . . . . 5225 1 42 3JHNHA . 1 1 53 53 ARG H H 1 . . 1 1 53 53 ARG HA H 1 . 7.3 . . 0.5 . . . . . . . . . . . 5225 1 43 3JHNHA . 1 1 54 54 GLN H H 1 . . 1 1 54 54 GLN HA H 1 . 4.4 . . 0.5 . . . . . . . . . . . 5225 1 44 3JHNHA . 1 1 56 56 GLN H H 1 . . 1 1 56 56 GLN HA H 1 . 6.4 . . 0.5 . . . . . . . . . . . 5225 1 45 3JHNHA . 1 1 57 57 MET H H 1 . . 1 1 57 57 MET HA H 1 . 5.6 . . 0.5 . . . . . . . . . . . 5225 1 46 3JHNHA . 1 1 61 61 PHE H H 1 . . 1 1 61 61 PHE HA H 1 . 7.9 . . 0.5 . . . . . . . . . . . 5225 1 47 3JHNHA . 1 1 63 63 LYS H H 1 . . 1 1 63 63 LYS HA H 1 . 3.0 . . 0.5 . . . . . . . . . . . 5225 1 48 3JHNHA . 1 1 64 64 VAL H H 1 . . 1 1 64 64 VAL HA H 1 . 6.4 . . 0.5 . . . . . . . . . . . 5225 1 49 3JHNHA . 1 1 65 65 VAL H H 1 . . 1 1 65 65 VAL HA H 1 . 2.9 . . 0.5 . . . . . . . . . . . 5225 1 50 3JHNHA . 1 1 66 66 PHE H H 1 . . 1 1 66 66 PHE HA H 1 . 9.4 . . 0.5 . . . . . . . . . . . 5225 1 51 3JHNHA . 1 1 67 67 SER H H 1 . . 1 1 67 67 SER HA H 1 . 9.7 . . 0.5 . . . . . . . . . . . 5225 1 52 3JHNHA . 1 1 70 70 VAL H H 1 . . 1 1 70 70 VAL HA H 1 . 4.4 . . 0.5 . . . . . . . . . . . 5225 1 53 3JHNHA . 1 1 71 71 LEU H H 1 . . 1 1 71 71 LEU HA H 1 . 5.2 . . 0.5 . . . . . . . . . . . 5225 1 54 3JHNHA . 1 1 72 72 GLU H H 1 . . 1 1 72 72 GLU HA H 1 . 7.9 . . 0.5 . . . . . . . . . . . 5225 1 55 3JHNHA . 1 1 74 74 THR H H 1 . . 1 1 74 74 THR HA H 1 . 8.9 . . 0.5 . . . . . . . . . . . 5225 1 56 3JHNHA . 1 1 77 77 LEU H H 1 . . 1 1 77 77 LEU HA H 1 . 9.0 . . 0.5 . . . . . . . . . . . 5225 1 57 3JHNHA . 1 1 78 78 HIS H H 1 . . 1 1 78 78 HIS HA H 1 . 7.4 . . 0.5 . . . . . . . . . . . 5225 1 58 3JHNHA . 1 1 79 79 THR H H 1 . . 1 1 79 79 THR HA H 1 . 5.2 . . 0.5 . . . . . . . . . . . 5225 1 59 3JHNHA . 1 1 81 81 PHE H H 1 . . 1 1 81 81 PHE HA H 1 . 7.9 . . 0.5 . . . . . . . . . . . 5225 1 60 3JHNHA . 1 1 83 83 TYR H H 1 . . 1 1 83 83 TYR HA H 1 . 8.8 . . 0.5 . . . . . . . . . . . 5225 1 61 3JHNHA . 1 1 84 84 HIS H H 1 . . 1 1 84 84 HIS HA H 1 . 9.0 . . 0.5 . . . . . . . . . . . 5225 1 62 3JHNHA . 1 1 85 85 ILE H H 1 . . 1 1 85 85 ILE HA H 1 . 9.1 . . 0.5 . . . . . . . . . . . 5225 1 63 3JHNHA . 1 1 86 86 ILE H H 1 . . 1 1 86 86 ILE HA H 1 . 8.9 . . 0.5 . . . . . . . . . . . 5225 1 64 3JHNHA . 1 1 87 87 LYS H H 1 . . 1 1 87 87 LYS HA H 1 . 7.4 . . 0.5 . . . . . . . . . . . 5225 1 65 3JHNHA . 1 1 88 88 VAL H H 1 . . 1 1 88 88 VAL HA H 1 . 7.3 . . 0.5 . . . . . . . . . . . 5225 1 66 3JHNHA . 1 1 89 89 LEU H H 1 . . 1 1 89 89 LEU HA H 1 . 8.0 . . 0.5 . . . . . . . . . . . 5225 1 67 3JHNHA . 1 1 90 90 TYR H H 1 . . 1 1 90 90 TYR HA H 1 . 4.5 . . 0.5 . . . . . . . . . . . 5225 1 68 3JHNHA . 1 1 91 91 ARG H H 1 . . 1 1 91 91 ARG HA H 1 . 8.5 . . 0.5 . . . . . . . . . . . 5225 1 69 3JHNHA . 1 1 92 92 ASN H H 1 . . 1 1 92 92 ASN HA H 1 . 8.2 . . 0.5 . . . . . . . . . . . 5225 1 stop_ save_