data_5589 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5589 _Entry.Title ; Backbone and side chain 1H, 13C, and 15N chemical shift assignments for V. cholerae VC0424 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-11-14 _Entry.Accession_date 2002-11-14 _Entry.Last_release_date . _Entry.Original_release_date . _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 Theresa Ramelot . A. . 5589 2 John Cort . R. . 5589 3 Shuisong Ni . . . 5589 4 Michael Kennedy . A. . 5589 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5589 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 863 5589 '13C chemical shifts' 552 5589 '15N chemical shifts' 130 5589 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-07-15 2002-11-14 update BMRB 'added time domain data' 5589 1 . . 2003-06-23 2002-11-14 original author 'original release' 5589 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5589 _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 Vibrio cholorae protein VC0424: A variation of the Ferredoxin-like fold ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 12 _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 1562 _Citation.Page_last 1566 _Citation.Year 2003 _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 Theresa Ramelot . A. . 5589 1 2 S. Ni . . . 5589 1 3 S. Goldsmith-Fischman . . . 5589 1 4 J. Cort . R. . 5589 1 5 B. Honig . . . 5589 1 6 M. Kennedy . A. . 5589 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID VC0424 5589 1 NMR 5589 1 'ferredoxin-like fold' 5589 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5589 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Brunger AT. X-PLOR Version 3.1: a system for X-ray crystallography and NMR. New Haven, CY:Yale University Press; 1992.382 p. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _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 . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_VC0424 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_VC0424 _Assembly.Entry_ID 5589 _Assembly.ID 1 _Assembly.Name VC0424 _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 . _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 5589 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 VC0424 1 $VC0424 . . . native . . . . . 5589 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 1NXI . . . . . . 5589 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID VC0424 system 5589 1 VC0424 abbreviation 5589 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VC0424 _Entity.Sf_category entity _Entity.Sf_framecode VC0424 _Entity.Entry_ID 5589 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VC0424 _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 ; MSHQDDYLSVEELIEIQKEE TRDIIQALLEDGSDPDALYE IEHHLFAEDFDKLEKAAVEA FKMGFEVLEAEETEDEDGNK LLCFDATMQSALDAKLIDEQ VEKLVNLAEKFDIIYDGWGT YYEGLEHHHHHH ; _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15324 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 1NXI . "Solution Structure Of Vibrio Cholerae Protein Vc0424" . . . . . 100.00 132 100.00 100.00 5.27e-87 . . . . 5589 1 2 no DBJ BAP01933 . "ribonuclease E inhibitor RraB [Vibrio cholerae MS6]" . . . . . 93.94 140 100.00 100.00 2.43e-80 . . . . 5589 1 3 no GB AAF93597 . "conserved hypothetical protein [Vibrio cholerae O1 biovar El Tor str. N16961]" . . . . . 93.94 140 100.00 100.00 2.43e-80 . . . . 5589 1 4 no GB ABQ21042 . "conserved hypothetical protein [Vibrio cholerae O395]" . . . . . 93.94 140 100.00 100.00 2.43e-80 . . . . 5589 1 5 no GB ACP04735 . "conserved hypothetical protein [Vibrio cholerae M66-2]" . . . . . 93.94 140 100.00 100.00 2.43e-80 . . . . 5589 1 6 no GB ACP08488 . "conserved hypothetical protein [Vibrio cholerae O395]" . . . . . 93.94 140 100.00 100.00 2.43e-80 . . . . 5589 1 7 no GB ACQ59373 . "hypothetical protein VCD_001198 [Vibrio cholerae MJ-1236]" . . . . . 93.18 140 100.00 100.00 3.93e-79 . . . . 5589 1 8 no REF NP_230078 . "hypothetical protein VC0424 [Vibrio cholerae O1 biovar El Tor str. N16961]" . . . . . 93.94 140 100.00 100.00 2.43e-80 . . . . 5589 1 9 no REF WP_000019330 . "regulator [Vibrio cholerae]" . . . . . 93.94 140 99.19 100.00 6.57e-80 . . . . 5589 1 10 no REF WP_000019331 . "MULTISPECIES: regulator [Vibrio]" . . . . . 93.94 140 100.00 100.00 2.43e-80 . . . . 5589 1 11 no REF WP_000019332 . "regulator [Vibrio cholerae]" . . . . . 93.18 140 100.00 100.00 3.93e-79 . . . . 5589 1 12 no REF WP_000019333 . "regulator [Vibrio cholerae]" . . . . . 93.94 140 99.19 99.19 9.83e-80 . . . . 5589 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID VC0424 common 5589 1 VC0424 abbreviation 5589 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5589 1 2 . SER . 5589 1 3 . HIS . 5589 1 4 . GLN . 5589 1 5 . ASP . 5589 1 6 . ASP . 5589 1 7 . TYR . 5589 1 8 . LEU . 5589 1 9 . SER . 5589 1 10 . VAL . 5589 1 11 . GLU . 5589 1 12 . GLU . 5589 1 13 . LEU . 5589 1 14 . ILE . 5589 1 15 . GLU . 5589 1 16 . ILE . 5589 1 17 . GLN . 5589 1 18 . LYS . 5589 1 19 . GLU . 5589 1 20 . GLU . 5589 1 21 . THR . 5589 1 22 . ARG . 5589 1 23 . ASP . 5589 1 24 . ILE . 5589 1 25 . ILE . 5589 1 26 . GLN . 5589 1 27 . ALA . 5589 1 28 . LEU . 5589 1 29 . LEU . 5589 1 30 . GLU . 5589 1 31 . ASP . 5589 1 32 . GLY . 5589 1 33 . SER . 5589 1 34 . ASP . 5589 1 35 . PRO . 5589 1 36 . ASP . 5589 1 37 . ALA . 5589 1 38 . LEU . 5589 1 39 . TYR . 5589 1 40 . GLU . 5589 1 41 . ILE . 5589 1 42 . GLU . 5589 1 43 . HIS . 5589 1 44 . HIS . 5589 1 45 . LEU . 5589 1 46 . PHE . 5589 1 47 . ALA . 5589 1 48 . GLU . 5589 1 49 . ASP . 5589 1 50 . PHE . 5589 1 51 . ASP . 5589 1 52 . LYS . 5589 1 53 . LEU . 5589 1 54 . GLU . 5589 1 55 . LYS . 5589 1 56 . ALA . 5589 1 57 . ALA . 5589 1 58 . VAL . 5589 1 59 . GLU . 5589 1 60 . ALA . 5589 1 61 . PHE . 5589 1 62 . LYS . 5589 1 63 . MET . 5589 1 64 . GLY . 5589 1 65 . PHE . 5589 1 66 . GLU . 5589 1 67 . VAL . 5589 1 68 . LEU . 5589 1 69 . GLU . 5589 1 70 . ALA . 5589 1 71 . GLU . 5589 1 72 . GLU . 5589 1 73 . THR . 5589 1 74 . GLU . 5589 1 75 . ASP . 5589 1 76 . GLU . 5589 1 77 . ASP . 5589 1 78 . GLY . 5589 1 79 . ASN . 5589 1 80 . LYS . 5589 1 81 . LEU . 5589 1 82 . LEU . 5589 1 83 . CYS . 5589 1 84 . PHE . 5589 1 85 . ASP . 5589 1 86 . ALA . 5589 1 87 . THR . 5589 1 88 . MET . 5589 1 89 . GLN . 5589 1 90 . SER . 5589 1 91 . ALA . 5589 1 92 . LEU . 5589 1 93 . ASP . 5589 1 94 . ALA . 5589 1 95 . LYS . 5589 1 96 . LEU . 5589 1 97 . ILE . 5589 1 98 . ASP . 5589 1 99 . GLU . 5589 1 100 . GLN . 5589 1 101 . VAL . 5589 1 102 . GLU . 5589 1 103 . LYS . 5589 1 104 . LEU . 5589 1 105 . VAL . 5589 1 106 . ASN . 5589 1 107 . LEU . 5589 1 108 . ALA . 5589 1 109 . GLU . 5589 1 110 . LYS . 5589 1 111 . PHE . 5589 1 112 . ASP . 5589 1 113 . ILE . 5589 1 114 . ILE . 5589 1 115 . TYR . 5589 1 116 . ASP . 5589 1 117 . GLY . 5589 1 118 . TRP . 5589 1 119 . GLY . 5589 1 120 . THR . 5589 1 121 . TYR . 5589 1 122 . TYR . 5589 1 123 . GLU . 5589 1 124 . GLY . 5589 1 125 . LEU . 5589 1 126 . GLU . 5589 1 127 . HIS . 5589 1 128 . HIS . 5589 1 129 . HIS . 5589 1 130 . HIS . 5589 1 131 . HIS . 5589 1 132 . HIS . 5589 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5589 1 . SER 2 2 5589 1 . HIS 3 3 5589 1 . GLN 4 4 5589 1 . ASP 5 5 5589 1 . ASP 6 6 5589 1 . TYR 7 7 5589 1 . LEU 8 8 5589 1 . SER 9 9 5589 1 . VAL 10 10 5589 1 . GLU 11 11 5589 1 . GLU 12 12 5589 1 . LEU 13 13 5589 1 . ILE 14 14 5589 1 . GLU 15 15 5589 1 . ILE 16 16 5589 1 . GLN 17 17 5589 1 . LYS 18 18 5589 1 . GLU 19 19 5589 1 . GLU 20 20 5589 1 . THR 21 21 5589 1 . ARG 22 22 5589 1 . ASP 23 23 5589 1 . ILE 24 24 5589 1 . ILE 25 25 5589 1 . GLN 26 26 5589 1 . ALA 27 27 5589 1 . LEU 28 28 5589 1 . LEU 29 29 5589 1 . GLU 30 30 5589 1 . ASP 31 31 5589 1 . GLY 32 32 5589 1 . SER 33 33 5589 1 . ASP 34 34 5589 1 . PRO 35 35 5589 1 . ASP 36 36 5589 1 . ALA 37 37 5589 1 . LEU 38 38 5589 1 . TYR 39 39 5589 1 . GLU 40 40 5589 1 . ILE 41 41 5589 1 . GLU 42 42 5589 1 . HIS 43 43 5589 1 . HIS 44 44 5589 1 . LEU 45 45 5589 1 . PHE 46 46 5589 1 . ALA 47 47 5589 1 . GLU 48 48 5589 1 . ASP 49 49 5589 1 . PHE 50 50 5589 1 . ASP 51 51 5589 1 . LYS 52 52 5589 1 . LEU 53 53 5589 1 . GLU 54 54 5589 1 . LYS 55 55 5589 1 . ALA 56 56 5589 1 . ALA 57 57 5589 1 . VAL 58 58 5589 1 . GLU 59 59 5589 1 . ALA 60 60 5589 1 . PHE 61 61 5589 1 . LYS 62 62 5589 1 . MET 63 63 5589 1 . GLY 64 64 5589 1 . PHE 65 65 5589 1 . GLU 66 66 5589 1 . VAL 67 67 5589 1 . LEU 68 68 5589 1 . GLU 69 69 5589 1 . ALA 70 70 5589 1 . GLU 71 71 5589 1 . GLU 72 72 5589 1 . THR 73 73 5589 1 . GLU 74 74 5589 1 . ASP 75 75 5589 1 . GLU 76 76 5589 1 . ASP 77 77 5589 1 . GLY 78 78 5589 1 . ASN 79 79 5589 1 . LYS 80 80 5589 1 . LEU 81 81 5589 1 . LEU 82 82 5589 1 . CYS 83 83 5589 1 . PHE 84 84 5589 1 . ASP 85 85 5589 1 . ALA 86 86 5589 1 . THR 87 87 5589 1 . MET 88 88 5589 1 . GLN 89 89 5589 1 . SER 90 90 5589 1 . ALA 91 91 5589 1 . LEU 92 92 5589 1 . ASP 93 93 5589 1 . ALA 94 94 5589 1 . LYS 95 95 5589 1 . LEU 96 96 5589 1 . ILE 97 97 5589 1 . ASP 98 98 5589 1 . GLU 99 99 5589 1 . GLN 100 100 5589 1 . VAL 101 101 5589 1 . GLU 102 102 5589 1 . LYS 103 103 5589 1 . LEU 104 104 5589 1 . VAL 105 105 5589 1 . ASN 106 106 5589 1 . LEU 107 107 5589 1 . ALA 108 108 5589 1 . GLU 109 109 5589 1 . LYS 110 110 5589 1 . PHE 111 111 5589 1 . ASP 112 112 5589 1 . ILE 113 113 5589 1 . ILE 114 114 5589 1 . TYR 115 115 5589 1 . ASP 116 116 5589 1 . GLY 117 117 5589 1 . TRP 118 118 5589 1 . GLY 119 119 5589 1 . THR 120 120 5589 1 . TYR 121 121 5589 1 . TYR 122 122 5589 1 . GLU 123 123 5589 1 . GLY 124 124 5589 1 . LEU 125 125 5589 1 . GLU 126 126 5589 1 . HIS 127 127 5589 1 . HIS 128 128 5589 1 . HIS 129 129 5589 1 . HIS 130 130 5589 1 . HIS 131 131 5589 1 . HIS 132 132 5589 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 5589 _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 $VC0424 . 666 organism . 'Vibrio cholerae' 'V. cholerae' . . Eubacteria . Vibrio cholerae N16961 . . . . . . . . . . . . . . . VC0424 . 'ATCC genomic DNA. Cat. no. 51394D' . . 5589 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 5589 _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 $VC0424 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . plasmid . . pet28b . . . . . . 5589 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5589 _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 VC0424 '[U-15N; U-13C]' . . 1 $VC0424 . . . 1 2 mM . . . . 5589 1 2 'Tris buffer' . . . . . . . 20 . . mM . . . . 5589 1 3 NaCl . . . . . . . 500 . . mM . . . . 5589 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5589 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 0.1 n/a 5589 1 temperature 298 1 K 5589 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 5589 _Software.ID 1 _Software.Name Felix _Software.Version 98 _Software.Details MSI loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing data' 5589 1 stop_ save_ save_XPLOR _Software.Sf_category software _Software.Sf_framecode XPLOR _Software.Entry_ID 5589 _Software.ID 2 _Software.Name XPLOR _Software.Version 3.84 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculations' 5589 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 5589 2 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 5589 _Software.ID 3 _Software.Name Sparky _Software.Version 3.98 _Software.Details http://www.cgl.ucsf/home/sparky loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift and noesy assignments' 5589 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 5589 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _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 5589 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5589 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5589 _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 Varian Inova . 600 . . . 5589 1 2 NMR_spectrometer_2 Varian Inova . 750 . . . 5589 1 3 NMR_spectrometer_3 Varian Inova . 800 . . . 5589 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 5589 _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' yes 1 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 2 '1H-13C HSQC (aliph, no CT)' yes 2 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 3 '15N-edited NOESY-HQSC (80 ms)' yes 3 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 4 HCC-TOCSY-NNH yes 4 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 5 HCCH-TOCSY yes 5 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 6 '13C-edited NOESY-HSQC (aliph)' yes 6 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 7 CBCACOCAHA yes 7 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 8 HNCO yes 8 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 9 HNCACB yes 9 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 10 CBCA(CO)NH yes 10 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 11 CC-TOCSY-NNH yes 11 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 12 HNHA yes 12 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 13 HNHB yes 13 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 14 '4D CC-NOESY' yes 14 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 15 '1H-13C HSQC (aliph, CT)' yes 15 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 16 '1H-13C HSQC (alpha, no CT)' yes 16 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 17 '1H-13C HSQC (alpha, CT)' yes 17 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 18 '1H-13C HSQC (arom, CT)' yes 18 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 19 '13C-edited NOESY-HSQC (arom)' yes 19 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 20 '15N-edited NOESY-HQSC (150 ms)' yes 20 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5589 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 5589 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hsqc_7_16_02.fid/' . . . . . . . 5589 1 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hsqc_7_16_02.fid/' . . . . . . . 5589 1 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hsqc_7_16_02.fid/' . . . . . . . 5589 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C HSQC (aliph, no CT)' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_aliph_6_6_02.fid/' . . . . . . . 5589 2 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_aliph_6_6_02.fid/' . . . . . . . 5589 2 gChsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_aliph_6_6_02.fid/' . . . . . . . 5589 2 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_aliph_6_6_02.fid/' . . . . . . . 5589 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '15N-edited NOESY-HQSC (80 ms)' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_n15_noesy_80ms_6_7_02.fid/' . . . . . . . 5589 3 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_n15_noesy_80ms_6_7_02.fid/' . . . . . . . 5589 3 gnoesyNhsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_n15_noesy_80ms_6_7_02.fid/' . . . . . . . 5589 3 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_n15_noesy_80ms_6_7_02.fid/' . . . . . . . 5589 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HCC-TOCSY-NNH _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hcctocsynnh_6_15_02.fid/' . . . . . . . 5589 4 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hcctocsynnh_6_15_02.fid/' . . . . . . . 5589 4 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hcctocsynnh_6_15_02.fid/' . . . . . . . 5589 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hcch_tocsy_6_20_02.fid/' . . . . . . . 5589 5 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hcch_tocsy_6_20_02.fid/' . . . . . . . 5589 5 hcchtocsy_3c_pfg_500.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hcch_tocsy_6_20_02.fid/' . . . . . . . 5589 5 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hcch_tocsy_6_20_02.fid/' . . . . . . . 5589 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '13C-edited NOESY-HSQC (aliph)' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_c13_noesy_aliph_7_8_02.fid/' . . . . . . . 5589 6 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_c13_noesy_aliph_7_8_02.fid/' . . . . . . . 5589 6 gnoesyChsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_c13_noesy_aliph_7_8_02.fid/' . . . . . . . 5589 6 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_c13_noesy_aliph_7_8_02.fid/' . . . . . . . 5589 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCACOCAHA _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_cbcacocaha_7_13_02.fid/' . . . . . . . 5589 7 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_cbcacocaha_7_13_02.fid/' . . . . . . . 5589 7 hbcbcacocaha_3c_pfg1+_500.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_cbcacocaha_7_13_02.fid/' . . . . . . . 5589 7 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_cbcacocaha_7_13_02.fid/' . . . . . . . 5589 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 8 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hnco_7_12_02.fid/' . . . . . . . 5589 8 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hnco_7_12_02.fid/' . . . . . . . 5589 8 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hnco_7_12_02.fid/' . . . . . . . 5589 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 9 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hncacb_6_10_02.fid/' . . . . . . . 5589 9 hncacb_3c_pfg_sel_500.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hncacb_6_10_02.fid/' . . . . . . . 5589 9 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hncacb_6_10_02.fid/' . . . . . . . 5589 9 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hncacb_6_10_02.fid/' . . . . . . . 5589 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 10 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_cbcaconnh_6_7_02.fid/' . . . . . . . 5589 10 hbcbcaconnh_3c_pfg1_sel_500.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_cbcaconnh_6_7_02.fid/' . . . . . . . 5589 10 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_cbcaconnh_6_7_02.fid/' . . . . . . . 5589 10 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_cbcaconnh_6_7_02.fid/' . . . . . . . 5589 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name CC-TOCSY-NNH _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_ccctocsynnh_6_13_02.fid/' . . . . . . . 5589 11 ccctocsy_nnh_3c_pfg1_sel_500.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_ccctocsynnh_6_13_02.fid/' . . . . . . . 5589 11 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_ccctocsynnh_6_13_02.fid/' . . . . . . . 5589 11 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_ccctocsynnh_6_13_02.fid/' . . . . . . . 5589 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 12 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hnha_07_05_02.fid/' . . . . . . . 5589 12 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hnha_07_05_02.fid/' . . . . . . . 5589 12 ghnha.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hnha_07_05_02.fid/' . . . . . . . 5589 12 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hnha_07_05_02.fid/' . . . . . . . 5589 12 stop_ save_ save_NMR_spectrometer_expt_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name HNHB _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hnhb_8_7_02.fid/' . . . . . . . 5589 13 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hnhb_8_7_02.fid/' . . . . . . . 5589 13 ghnhb.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hnhb_8_7_02.fid/' . . . . . . . 5589 13 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_hnhb_8_7_02.fid/' . . . . . . . 5589 13 stop_ save_ save_NMR_spectrometer_expt_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '4D CC-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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_4D_noesy_d2o_7_31_02.fid/' . . . . . . . 5589 14 c4Dnoesy_d2o_pfg_500.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_4D_noesy_d2o_7_31_02.fid/' . . . . . . . 5589 14 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_4D_noesy_d2o_7_31_02.fid/' . . . . . . . 5589 14 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_4D_noesy_d2o_7_31_02.fid/' . . . . . . . 5589 14 stop_ save_ save_NMR_spectrometer_expt_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_15 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '1H-13C HSQC (aliph, CT)' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_aliph_ct_6_6_02.fid/' . . . . . . . 5589 15 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_aliph_ct_6_6_02.fid/' . . . . . . . 5589 15 gChsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_aliph_ct_6_6_02.fid/' . . . . . . . 5589 15 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_aliph_ct_6_6_02.fid/' . . . . . . . 5589 15 stop_ save_ save_NMR_spectrometer_expt_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_16 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '1H-13C HSQC (alpha, no CT)' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_alpha_6_6_02.fid/' . . . . . . . 5589 16 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_alpha_6_6_02.fid/' . . . . . . . 5589 16 gChsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_alpha_6_6_02.fid/' . . . . . . . 5589 16 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_alpha_6_6_02.fid/' . . . . . . . 5589 16 stop_ save_ save_NMR_spectrometer_expt_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_17 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '1H-13C HSQC (alpha, CT)' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_alpha_ct_6_6_02.fid/' . . . . . . . 5589 17 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_alpha_ct_6_6_02.fid/' . . . . . . . 5589 17 gChsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_alpha_ct_6_6_02.fid/' . . . . . . . 5589 17 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_alpha_ct_6_6_02.fid/' . . . . . . . 5589 17 stop_ save_ save_NMR_spectrometer_expt_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_18 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name '1H-13C HSQC (arom, CT)' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_arom_ct_6_6_02.fid/' . . . . . . . 5589 18 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_arom_ct_6_6_02.fid/' . . . . . . . 5589 18 gChsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_arom_ct_6_6_02.fid/' . . . . . . . 5589 18 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_13c_hsqc_arom_ct_6_6_02.fid/' . . . . . . . 5589 18 stop_ save_ save_NMR_spectrometer_expt_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_19 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name '13C-edited NOESY-HSQC (arom)' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_c13_noesy_arom_7_10_02.fid/' . . . . . . . 5589 19 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_c13_noesy_arom_7_10_02.fid/' . . . . . . . 5589 19 gnoesyChsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_c13_noesy_arom_7_10_02.fid/' . . . . . . . 5589 19 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_c13_noesy_arom_7_10_02.fid/' . . . . . . . 5589 19 stop_ save_ save_NMR_spectrometer_expt_20 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_20 _NMR_spec_expt.Entry_ID 5589 _NMR_spec_expt.ID 20 _NMR_spec_expt.Name '15N-edited NOESY-HQSC (150 ms)' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_n15_noesy_150ms_6_7_02.fid/' . . . . . . . 5589 20 gnoesyNhsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_n15_noesy_150ms_6_7_02.fid/' . . . . . . . 5589 20 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_n15_noesy_150ms_6_7_02.fid/' . . . . . . . 5589 20 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5589/timedomain_data/vc0424_n15_noesy_150ms_6_7_02.fid/' . . . . . . . 5589 20 stop_ 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 5589 _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 . . . . . . . . . 5589 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5589 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5589 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_VC0424_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode VC0424_shifts _Assigned_chem_shift_list.Entry_ID 5589 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_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 . 5589 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 3 3 HIS N N 15 120.9 0.1 . 1 . . . . . . . . 5589 1 2 . 1 1 4 4 GLN HE21 H 1 6.87 0.02 . 2 . . . . . . . . 5589 1 3 . 1 1 4 4 GLN HE22 H 1 7.66 0.02 . 2 . . . . . . . . 5589 1 4 . 1 1 4 4 GLN C C 13 175.7 0.1 . 1 . . . . . . . . 5589 1 5 . 1 1 4 4 GLN CA C 13 56.4 0.1 . 1 . . . . . . . . 5589 1 6 . 1 1 4 4 GLN CB C 13 29.6 0.1 . 1 . . . . . . . . 5589 1 7 . 1 1 4 4 GLN NE2 N 15 112.1 0.1 . 1 . . . . . . . . 5589 1 8 . 1 1 5 5 ASP H H 1 8.45 0.02 . 1 . . . . . . . . 5589 1 9 . 1 1 5 5 ASP HA H 1 4.63 0.02 . 1 . . . . . . . . 5589 1 10 . 1 1 5 5 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 5589 1 11 . 1 1 5 5 ASP HB3 H 1 2.63 0.02 . 2 . . . . . . . . 5589 1 12 . 1 1 5 5 ASP C C 13 175.7 0.1 . 1 . . . . . . . . 5589 1 13 . 1 1 5 5 ASP CA C 13 54.9 0.1 . 1 . . . . . . . . 5589 1 14 . 1 1 5 5 ASP CB C 13 41.5 0.1 . 1 . . . . . . . . 5589 1 15 . 1 1 5 5 ASP N N 15 121.0 0.1 . 1 . . . . . . . . 5589 1 16 . 1 1 6 6 ASP H H 1 8.21 0.02 . 1 . . . . . . . . 5589 1 17 . 1 1 6 6 ASP HA H 1 4.60 0.02 . 1 . . . . . . . . 5589 1 18 . 1 1 6 6 ASP HB2 H 1 2.63 0.02 . 1 . . . . . . . . 5589 1 19 . 1 1 6 6 ASP HB3 H 1 2.63 0.02 . 1 . . . . . . . . 5589 1 20 . 1 1 6 6 ASP C C 13 175.5 0.1 . 1 . . . . . . . . 5589 1 21 . 1 1 6 6 ASP CA C 13 54.6 0.1 . 1 . . . . . . . . 5589 1 22 . 1 1 6 6 ASP CB C 13 41.3 0.1 . 1 . . . . . . . . 5589 1 23 . 1 1 6 6 ASP N N 15 119.8 0.1 . 1 . . . . . . . . 5589 1 24 . 1 1 7 7 TYR H H 1 8.03 0.02 . 1 . . . . . . . . 5589 1 25 . 1 1 7 7 TYR HA H 1 4.59 0.02 . 1 . . . . . . . . 5589 1 26 . 1 1 7 7 TYR HB2 H 1 3.04 0.02 . 1 . . . . . . . . 5589 1 27 . 1 1 7 7 TYR HB3 H 1 3.04 0.02 . 1 . . . . . . . . 5589 1 28 . 1 1 7 7 TYR HD1 H 1 7.14 0.02 . 1 . . . . . . . . 5589 1 29 . 1 1 7 7 TYR HD2 H 1 7.14 0.02 . 1 . . . . . . . . 5589 1 30 . 1 1 7 7 TYR HE1 H 1 6.87 0.02 . 1 . . . . . . . . 5589 1 31 . 1 1 7 7 TYR HE2 H 1 6.87 0.02 . 1 . . . . . . . . 5589 1 32 . 1 1 7 7 TYR C C 13 175.2 0.1 . 1 . . . . . . . . 5589 1 33 . 1 1 7 7 TYR CA C 13 58.0 0.1 . 1 . . . . . . . . 5589 1 34 . 1 1 7 7 TYR CB C 13 39.1 0.1 . 1 . . . . . . . . 5589 1 35 . 1 1 7 7 TYR CD1 C 13 133.2 0.1 . 1 . . . . . . . . 5589 1 36 . 1 1 7 7 TYR CD2 C 13 133.2 0.1 . 1 . . . . . . . . 5589 1 37 . 1 1 7 7 TYR CE1 C 13 118.3 0.1 . 1 . . . . . . . . 5589 1 38 . 1 1 7 7 TYR CE2 C 13 118.3 0.1 . 1 . . . . . . . . 5589 1 39 . 1 1 7 7 TYR N N 15 119.8 0.1 . 1 . . . . . . . . 5589 1 40 . 1 1 8 8 LEU H H 1 7.98 0.02 . 1 . . . . . . . . 5589 1 41 . 1 1 8 8 LEU HA H 1 4.46 0.02 . 1 . . . . . . . . 5589 1 42 . 1 1 8 8 LEU HB2 H 1 1.51 0.02 . 2 . . . . . . . . 5589 1 43 . 1 1 8 8 LEU HB3 H 1 1.62 0.02 . 2 . . . . . . . . 5589 1 44 . 1 1 8 8 LEU HG H 1 1.61 0.02 . 1 . . . . . . . . 5589 1 45 . 1 1 8 8 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 5589 1 46 . 1 1 8 8 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 5589 1 47 . 1 1 8 8 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 5589 1 48 . 1 1 8 8 LEU HD21 H 1 0.89 0.02 . 2 . . . . . . . . 5589 1 49 . 1 1 8 8 LEU HD22 H 1 0.89 0.02 . 2 . . . . . . . . 5589 1 50 . 1 1 8 8 LEU HD23 H 1 0.89 0.02 . 2 . . . . . . . . 5589 1 51 . 1 1 8 8 LEU C C 13 176.3 0.1 . 1 . . . . . . . . 5589 1 52 . 1 1 8 8 LEU CA C 13 54.7 0.1 . 1 . . . . . . . . 5589 1 53 . 1 1 8 8 LEU CB C 13 43.7 0.1 . 1 . . . . . . . . 5589 1 54 . 1 1 8 8 LEU CG C 13 27.2 0.1 . 1 . . . . . . . . 5589 1 55 . 1 1 8 8 LEU CD1 C 13 24.2 0.1 . 2 . . . . . . . . 5589 1 56 . 1 1 8 8 LEU CD2 C 13 26.0 0.1 . 2 . . . . . . . . 5589 1 57 . 1 1 8 8 LEU N N 15 125.1 0.1 . 1 . . . . . . . . 5589 1 58 . 1 1 9 9 SER H H 1 8.68 0.02 . 1 . . . . . . . . 5589 1 59 . 1 1 9 9 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 5589 1 60 . 1 1 9 9 SER HB2 H 1 4.12 0.02 . 2 . . . . . . . . 5589 1 61 . 1 1 9 9 SER HB3 H 1 4.41 0.02 . 2 . . . . . . . . 5589 1 62 . 1 1 9 9 SER C C 13 174.8 0.1 . 1 . . . . . . . . 5589 1 63 . 1 1 9 9 SER CA C 13 57.5 0.1 . 1 . . . . . . . . 5589 1 64 . 1 1 9 9 SER CB C 13 65.6 0.1 . 1 . . . . . . . . 5589 1 65 . 1 1 9 9 SER N N 15 118.3 0.1 . 1 . . . . . . . . 5589 1 66 . 1 1 10 10 VAL H H 1 8.73 0.02 . 1 . . . . . . . . 5589 1 67 . 1 1 10 10 VAL HA H 1 3.70 0.02 . 1 . . . . . . . . 5589 1 68 . 1 1 10 10 VAL HB H 1 2.07 0.02 . 1 . . . . . . . . 5589 1 69 . 1 1 10 10 VAL HG11 H 1 0.97 0.02 . 2 . . . . . . . . 5589 1 70 . 1 1 10 10 VAL HG12 H 1 0.97 0.02 . 2 . . . . . . . . 5589 1 71 . 1 1 10 10 VAL HG13 H 1 0.97 0.02 . 2 . . . . . . . . 5589 1 72 . 1 1 10 10 VAL HG21 H 1 1.08 0.02 . 2 . . . . . . . . 5589 1 73 . 1 1 10 10 VAL HG22 H 1 1.08 0.02 . 2 . . . . . . . . 5589 1 74 . 1 1 10 10 VAL HG23 H 1 1.08 0.02 . 2 . . . . . . . . 5589 1 75 . 1 1 10 10 VAL C C 13 177.2 0.1 . 1 . . . . . . . . 5589 1 76 . 1 1 10 10 VAL CA C 13 66.8 0.1 . 1 . . . . . . . . 5589 1 77 . 1 1 10 10 VAL CB C 13 31.9 0.1 . 1 . . . . . . . . 5589 1 78 . 1 1 10 10 VAL CG1 C 13 21.3 0.1 . 2 . . . . . . . . 5589 1 79 . 1 1 10 10 VAL CG2 C 13 23.1 0.1 . 2 . . . . . . . . 5589 1 80 . 1 1 10 10 VAL N N 15 121.5 0.1 . 1 . . . . . . . . 5589 1 81 . 1 1 11 11 GLU H H 1 8.55 0.02 . 1 . . . . . . . . 5589 1 82 . 1 1 11 11 GLU HA H 1 3.95 0.02 . 1 . . . . . . . . 5589 1 83 . 1 1 11 11 GLU HB2 H 1 2.04 0.02 . 1 . . . . . . . . 5589 1 84 . 1 1 11 11 GLU HB3 H 1 2.04 0.02 . 1 . . . . . . . . 5589 1 85 . 1 1 11 11 GLU HG2 H 1 2.34 0.02 . 2 . . . . . . . . 5589 1 86 . 1 1 11 11 GLU HG3 H 1 2.44 0.02 . 2 . . . . . . . . 5589 1 87 . 1 1 11 11 GLU C C 13 179.5 0.1 . 1 . . . . . . . . 5589 1 88 . 1 1 11 11 GLU CA C 13 60.7 0.1 . 1 . . . . . . . . 5589 1 89 . 1 1 11 11 GLU CB C 13 29.1 0.1 . 1 . . . . . . . . 5589 1 90 . 1 1 11 11 GLU CG C 13 36.9 0.1 . 1 . . . . . . . . 5589 1 91 . 1 1 11 11 GLU N N 15 117.8 0.1 . 1 . . . . . . . . 5589 1 92 . 1 1 12 12 GLU H H 1 7.79 0.02 . 1 . . . . . . . . 5589 1 93 . 1 1 12 12 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 5589 1 94 . 1 1 12 12 GLU HB2 H 1 2.09 0.02 . 1 . . . . . . . . 5589 1 95 . 1 1 12 12 GLU HB3 H 1 2.09 0.02 . 1 . . . . . . . . 5589 1 96 . 1 1 12 12 GLU HG2 H 1 2.33 0.02 . 2 . . . . . . . . 5589 1 97 . 1 1 12 12 GLU HG3 H 1 2.42 0.02 . 2 . . . . . . . . 5589 1 98 . 1 1 12 12 GLU C C 13 178.9 0.1 . 1 . . . . . . . . 5589 1 99 . 1 1 12 12 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . 5589 1 100 . 1 1 12 12 GLU CB C 13 30.6 0.1 . 1 . . . . . . . . 5589 1 101 . 1 1 12 12 GLU CG C 13 37.6 0.1 . 1 . . . . . . . . 5589 1 102 . 1 1 12 12 GLU N N 15 119.9 0.1 . 1 . . . . . . . . 5589 1 103 . 1 1 13 13 LEU H H 1 8.45 0.02 . 1 . . . . . . . . 5589 1 104 . 1 1 13 13 LEU HA H 1 4.09 0.02 . 1 . . . . . . . . 5589 1 105 . 1 1 13 13 LEU HB2 H 1 1.75 0.02 . 2 . . . . . . . . 5589 1 106 . 1 1 13 13 LEU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5589 1 107 . 1 1 13 13 LEU HG H 1 1.73 0.02 . 1 . . . . . . . . 5589 1 108 . 1 1 13 13 LEU HD11 H 1 0.94 0.02 . 2 . . . . . . . . 5589 1 109 . 1 1 13 13 LEU HD12 H 1 0.94 0.02 . 2 . . . . . . . . 5589 1 110 . 1 1 13 13 LEU HD13 H 1 0.94 0.02 . 2 . . . . . . . . 5589 1 111 . 1 1 13 13 LEU HD21 H 1 1.05 0.02 . 2 . . . . . . . . 5589 1 112 . 1 1 13 13 LEU HD22 H 1 1.05 0.02 . 2 . . . . . . . . 5589 1 113 . 1 1 13 13 LEU HD23 H 1 1.05 0.02 . 2 . . . . . . . . 5589 1 114 . 1 1 13 13 LEU C C 13 179.9 0.1 . 1 . . . . . . . . 5589 1 115 . 1 1 13 13 LEU CA C 13 58.5 0.1 . 1 . . . . . . . . 5589 1 116 . 1 1 13 13 LEU CB C 13 42.0 0.1 . 1 . . . . . . . . 5589 1 117 . 1 1 13 13 LEU CG C 13 27.1 0.1 . 1 . . . . . . . . 5589 1 118 . 1 1 13 13 LEU CD1 C 13 26.0 0.1 . 2 . . . . . . . . 5589 1 119 . 1 1 13 13 LEU CD2 C 13 25.0 0.1 . 2 . . . . . . . . 5589 1 120 . 1 1 13 13 LEU N N 15 121.5 0.1 . 1 . . . . . . . . 5589 1 121 . 1 1 14 14 ILE H H 1 8.62 0.02 . 1 . . . . . . . . 5589 1 122 . 1 1 14 14 ILE HA H 1 3.65 0.02 . 1 . . . . . . . . 5589 1 123 . 1 1 14 14 ILE HB H 1 2.09 0.02 . 1 . . . . . . . . 5589 1 124 . 1 1 14 14 ILE HG12 H 1 1.12 0.02 . 2 . . . . . . . . 5589 1 125 . 1 1 14 14 ILE HG13 H 1 1.82 0.02 . 2 . . . . . . . . 5589 1 126 . 1 1 14 14 ILE HG21 H 1 0.92 0.02 . 1 . . . . . . . . 5589 1 127 . 1 1 14 14 ILE HG22 H 1 0.92 0.02 . 1 . . . . . . . . 5589 1 128 . 1 1 14 14 ILE HG23 H 1 0.92 0.02 . 1 . . . . . . . . 5589 1 129 . 1 1 14 14 ILE HD11 H 1 0.84 0.02 . 1 . . . . . . . . 5589 1 130 . 1 1 14 14 ILE HD12 H 1 0.84 0.02 . 1 . . . . . . . . 5589 1 131 . 1 1 14 14 ILE HD13 H 1 0.84 0.02 . 1 . . . . . . . . 5589 1 132 . 1 1 14 14 ILE C C 13 178.7 0.1 . 1 . . . . . . . . 5589 1 133 . 1 1 14 14 ILE CA C 13 65.3 0.1 . 1 . . . . . . . . 5589 1 134 . 1 1 14 14 ILE CB C 13 37.7 0.1 . 1 . . . . . . . . 5589 1 135 . 1 1 14 14 ILE CG1 C 13 30.2 0.1 . 1 . . . . . . . . 5589 1 136 . 1 1 14 14 ILE CG2 C 13 17.2 0.1 . 1 . . . . . . . . 5589 1 137 . 1 1 14 14 ILE CD1 C 13 13.3 0.1 . 1 . . . . . . . . 5589 1 138 . 1 1 14 14 ILE N N 15 119.7 0.1 . 1 . . . . . . . . 5589 1 139 . 1 1 15 15 GLU H H 1 7.79 0.02 . 1 . . . . . . . . 5589 1 140 . 1 1 15 15 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 5589 1 141 . 1 1 15 15 GLU HB2 H 1 2.24 0.02 . 2 . . . . . . . . 5589 1 142 . 1 1 15 15 GLU HG2 H 1 2.44 0.02 . 2 . . . . . . . . 5589 1 143 . 1 1 15 15 GLU HG3 H 1 2.38 0.02 . 2 . . . . . . . . 5589 1 144 . 1 1 15 15 GLU C C 13 179.5 0.1 . 1 . . . . . . . . 5589 1 145 . 1 1 15 15 GLU CA C 13 60.0 0.1 . 1 . . . . . . . . 5589 1 146 . 1 1 15 15 GLU CB C 13 29.6 0.1 . 1 . . . . . . . . 5589 1 147 . 1 1 15 15 GLU CG C 13 35.9 0.1 . 1 . . . . . . . . 5589 1 148 . 1 1 15 15 GLU N N 15 120.5 0.1 . 1 . . . . . . . . 5589 1 149 . 1 1 16 16 ILE H H 1 8.09 0.02 . 1 . . . . . . . . 5589 1 150 . 1 1 16 16 ILE HA H 1 3.95 0.02 . 1 . . . . . . . . 5589 1 151 . 1 1 16 16 ILE HB H 1 2.01 0.02 . 1 . . . . . . . . 5589 1 152 . 1 1 16 16 ILE HG12 H 1 1.24 0.02 . 1 . . . . . . . . 5589 1 153 . 1 1 16 16 ILE HG13 H 1 1.84 0.02 . 1 . . . . . . . . 5589 1 154 . 1 1 16 16 ILE HG21 H 1 1.01 0.02 . 1 . . . . . . . . 5589 1 155 . 1 1 16 16 ILE HG22 H 1 1.01 0.02 . 1 . . . . . . . . 5589 1 156 . 1 1 16 16 ILE HG23 H 1 1.01 0.02 . 1 . . . . . . . . 5589 1 157 . 1 1 16 16 ILE HD11 H 1 0.93 0.02 . 1 . . . . . . . . 5589 1 158 . 1 1 16 16 ILE HD12 H 1 0.93 0.02 . 1 . . . . . . . . 5589 1 159 . 1 1 16 16 ILE HD13 H 1 0.93 0.02 . 1 . . . . . . . . 5589 1 160 . 1 1 16 16 ILE C C 13 179.4 0.1 . 1 . . . . . . . . 5589 1 161 . 1 1 16 16 ILE CA C 13 65.2 0.1 . 1 . . . . . . . . 5589 1 162 . 1 1 16 16 ILE CB C 13 39.0 0.1 . 1 . . . . . . . . 5589 1 163 . 1 1 16 16 ILE CG1 C 13 29.6 0.1 . 1 . . . . . . . . 5589 1 164 . 1 1 16 16 ILE CG2 C 13 17.4 0.1 . 1 . . . . . . . . 5589 1 165 . 1 1 16 16 ILE CD1 C 13 14.2 0.1 . 1 . . . . . . . . 5589 1 166 . 1 1 16 16 ILE N N 15 121.0 0.1 . 1 . . . . . . . . 5589 1 167 . 1 1 17 17 GLN H H 1 8.55 0.02 . 1 . . . . . . . . 5589 1 168 . 1 1 17 17 GLN HA H 1 4.23 0.02 . 1 . . . . . . . . 5589 1 169 . 1 1 17 17 GLN HB2 H 1 2.40 0.02 . 2 . . . . . . . . 5589 1 170 . 1 1 17 17 GLN HG2 H 1 2.80 0.02 . 2 . . . . . . . . 5589 1 171 . 1 1 17 17 GLN C C 13 177.6 0.1 . 1 . . . . . . . . 5589 1 172 . 1 1 17 17 GLN CA C 13 57.9 0.1 . 1 . . . . . . . . 5589 1 173 . 1 1 17 17 GLN CB C 13 27.6 0.1 . 1 . . . . . . . . 5589 1 174 . 1 1 17 17 GLN CG C 13 35.0 0.1 . 1 . . . . . . . . 5589 1 175 . 1 1 17 17 GLN N N 15 119.7 0.1 . 1 . . . . . . . . 5589 1 176 . 1 1 18 18 LYS H H 1 8.56 0.02 . 1 . . . . . . . . 5589 1 177 . 1 1 18 18 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 5589 1 178 . 1 1 18 18 LYS HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5589 1 179 . 1 1 18 18 LYS HB3 H 1 2.13 0.02 . 2 . . . . . . . . 5589 1 180 . 1 1 18 18 LYS HG2 H 1 1.59 0.02 . 2 . . . . . . . . 5589 1 181 . 1 1 18 18 LYS HG3 H 1 1.86 0.02 . 2 . . . . . . . . 5589 1 182 . 1 1 18 18 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 5589 1 183 . 1 1 18 18 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 5589 1 184 . 1 1 18 18 LYS HE2 H 1 2.85 0.02 . 2 . . . . . . . . 5589 1 185 . 1 1 18 18 LYS HE3 H 1 3.00 0.02 . 2 . . . . . . . . 5589 1 186 . 1 1 18 18 LYS C C 13 180.6 0.1 . 1 . . . . . . . . 5589 1 187 . 1 1 18 18 LYS CA C 13 60.9 0.1 . 1 . . . . . . . . 5589 1 188 . 1 1 18 18 LYS CB C 13 33.2 0.1 . 1 . . . . . . . . 5589 1 189 . 1 1 18 18 LYS CG C 13 26.6 0.1 . 1 . . . . . . . . 5589 1 190 . 1 1 18 18 LYS CD C 13 30.0 0.1 . 1 . . . . . . . . 5589 1 191 . 1 1 18 18 LYS CE C 13 41.9 0.1 . 1 . . . . . . . . 5589 1 192 . 1 1 18 18 LYS N N 15 121.2 0.1 . 1 . . . . . . . . 5589 1 193 . 1 1 19 19 GLU H H 1 7.28 0.02 . 1 . . . . . . . . 5589 1 194 . 1 1 19 19 GLU HA H 1 4.21 0.02 . 1 . . . . . . . . 5589 1 195 . 1 1 19 19 GLU HB2 H 1 2.25 0.02 . 1 . . . . . . . . 5589 1 196 . 1 1 19 19 GLU HB3 H 1 2.25 0.02 . 1 . . . . . . . . 5589 1 197 . 1 1 19 19 GLU HG2 H 1 2.53 0.02 . 1 . . . . . . . . 5589 1 198 . 1 1 19 19 GLU HG3 H 1 2.53 0.02 . 1 . . . . . . . . 5589 1 199 . 1 1 19 19 GLU C C 13 178.3 0.1 . 1 . . . . . . . . 5589 1 200 . 1 1 19 19 GLU CA C 13 59.6 0.1 . 1 . . . . . . . . 5589 1 201 . 1 1 19 19 GLU CB C 13 29.8 0.1 . 1 . . . . . . . . 5589 1 202 . 1 1 19 19 GLU CG C 13 36.1 0.1 . 1 . . . . . . . . 5589 1 203 . 1 1 19 19 GLU N N 15 118.5 0.1 . 1 . . . . . . . . 5589 1 204 . 1 1 20 20 GLU H H 1 7.62 0.02 . 1 . . . . . . . . 5589 1 205 . 1 1 20 20 GLU HA H 1 4.19 0.02 . 1 . . . . . . . . 5589 1 206 . 1 1 20 20 GLU HB2 H 1 2.25 0.02 . 1 . . . . . . . . 5589 1 207 . 1 1 20 20 GLU HB3 H 1 2.25 0.02 . 1 . . . . . . . . 5589 1 208 . 1 1 20 20 GLU HG2 H 1 2.52 0.02 . 1 . . . . . . . . 5589 1 209 . 1 1 20 20 GLU HG3 H 1 2.52 0.02 . 1 . . . . . . . . 5589 1 210 . 1 1 20 20 GLU C C 13 178.4 0.1 . 1 . . . . . . . . 5589 1 211 . 1 1 20 20 GLU CA C 13 59.6 0.1 . 1 . . . . . . . . 5589 1 212 . 1 1 20 20 GLU CB C 13 29.5 0.1 . 1 . . . . . . . . 5589 1 213 . 1 1 20 20 GLU CG C 13 35.7 0.1 . 1 . . . . . . . . 5589 1 214 . 1 1 20 20 GLU N N 15 121.5 0.1 . 1 . . . . . . . . 5589 1 215 . 1 1 21 21 THR H H 1 9.62 0.02 . 1 . . . . . . . . 5589 1 216 . 1 1 21 21 THR HA H 1 4.38 0.02 . 1 . . . . . . . . 5589 1 217 . 1 1 21 21 THR HB H 1 4.80 0.02 . 1 . . . . . . . . 5589 1 218 . 1 1 21 21 THR HG21 H 1 1.53 0.02 . 1 . . . . . . . . 5589 1 219 . 1 1 21 21 THR HG22 H 1 1.53 0.02 . 1 . . . . . . . . 5589 1 220 . 1 1 21 21 THR HG23 H 1 1.53 0.02 . 1 . . . . . . . . 5589 1 221 . 1 1 21 21 THR C C 13 175.9 0.1 . 1 . . . . . . . . 5589 1 222 . 1 1 21 21 THR CA C 13 65.9 0.1 . 1 . . . . . . . . 5589 1 223 . 1 1 21 21 THR CB C 13 70.0 0.1 . 1 . . . . . . . . 5589 1 224 . 1 1 21 21 THR CG2 C 13 22.8 0.1 . 1 . . . . . . . . 5589 1 225 . 1 1 21 21 THR N N 15 117.7 0.1 . 1 . . . . . . . . 5589 1 226 . 1 1 22 22 ARG H H 1 7.42 0.02 . 1 . . . . . . . . 5589 1 227 . 1 1 22 22 ARG HA H 1 3.99 0.02 . 1 . . . . . . . . 5589 1 228 . 1 1 22 22 ARG HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5589 1 229 . 1 1 22 22 ARG HB3 H 1 2.28 0.02 . 2 . . . . . . . . 5589 1 230 . 1 1 22 22 ARG HE H 1 7.46 0.02 . 1 . . . . . . . . 5589 1 231 . 1 1 22 22 ARG C C 13 178.3 0.1 . 1 . . . . . . . . 5589 1 232 . 1 1 22 22 ARG CA C 13 60.6 0.1 . 1 . . . . . . . . 5589 1 233 . 1 1 22 22 ARG CB C 13 28.7 0.1 . 1 . . . . . . . . 5589 1 234 . 1 1 22 22 ARG N N 15 118.4 0.1 . 1 . . . . . . . . 5589 1 235 . 1 1 22 22 ARG NE N 15 83.0 0.1 . 1 . . . . . . . . 5589 1 236 . 1 1 23 23 ASP H H 1 8.31 0.02 . 1 . . . . . . . . 5589 1 237 . 1 1 23 23 ASP HA H 1 4.49 0.02 . 1 . . . . . . . . 5589 1 238 . 1 1 23 23 ASP HB2 H 1 2.72 0.02 . 2 . . . . . . . . 5589 1 239 . 1 1 23 23 ASP HB3 H 1 2.95 0.02 . 2 . . . . . . . . 5589 1 240 . 1 1 23 23 ASP C C 13 179.2 0.1 . 1 . . . . . . . . 5589 1 241 . 1 1 23 23 ASP CA C 13 57.8 0.1 . 1 . . . . . . . . 5589 1 242 . 1 1 23 23 ASP CB C 13 40.6 0.1 . 1 . . . . . . . . 5589 1 243 . 1 1 23 23 ASP N N 15 123.3 0.1 . 1 . . . . . . . . 5589 1 244 . 1 1 24 24 ILE H H 1 8.54 0.02 . 1 . . . . . . . . 5589 1 245 . 1 1 24 24 ILE HA H 1 3.55 0.02 . 1 . . . . . . . . 5589 1 246 . 1 1 24 24 ILE HB H 1 1.63 0.02 . 1 . . . . . . . . 5589 1 247 . 1 1 24 24 ILE HG12 H 1 0.60 0.02 . 2 . . . . . . . . 5589 1 248 . 1 1 24 24 ILE HG13 H 1 1.62 0.02 . 2 . . . . . . . . 5589 1 249 . 1 1 24 24 ILE HG21 H 1 0.40 0.02 . 1 . . . . . . . . 5589 1 250 . 1 1 24 24 ILE HG22 H 1 0.40 0.02 . 1 . . . . . . . . 5589 1 251 . 1 1 24 24 ILE HG23 H 1 0.40 0.02 . 1 . . . . . . . . 5589 1 252 . 1 1 24 24 ILE HD11 H 1 0.02 0.02 . 1 . . . . . . . . 5589 1 253 . 1 1 24 24 ILE HD12 H 1 0.02 0.02 . 1 . . . . . . . . 5589 1 254 . 1 1 24 24 ILE HD13 H 1 0.02 0.02 . 1 . . . . . . . . 5589 1 255 . 1 1 24 24 ILE C C 13 178.5 0.1 . 1 . . . . . . . . 5589 1 256 . 1 1 24 24 ILE CA C 13 65.8 0.1 . 1 . . . . . . . . 5589 1 257 . 1 1 24 24 ILE CB C 13 38.1 0.1 . 1 . . . . . . . . 5589 1 258 . 1 1 24 24 ILE CG1 C 13 29.1 0.1 . 1 . . . . . . . . 5589 1 259 . 1 1 24 24 ILE CG2 C 13 18.1 0.1 . 1 . . . . . . . . 5589 1 260 . 1 1 24 24 ILE CD1 C 13 13.6 0.1 . 1 . . . . . . . . 5589 1 261 . 1 1 24 24 ILE N N 15 122.7 0.1 . 1 . . . . . . . . 5589 1 262 . 1 1 25 25 ILE H H 1 7.89 0.02 . 1 . . . . . . . . 5589 1 263 . 1 1 25 25 ILE HA H 1 3.51 0.02 . 1 . . . . . . . . 5589 1 264 . 1 1 25 25 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . 5589 1 265 . 1 1 25 25 ILE HG12 H 1 2.32 0.02 . 1 . . . . . . . . 5589 1 266 . 1 1 25 25 ILE HG13 H 1 2.32 0.02 . 1 . . . . . . . . 5589 1 267 . 1 1 25 25 ILE HG21 H 1 0.91 0.02 . 1 . . . . . . . . 5589 1 268 . 1 1 25 25 ILE HG22 H 1 0.91 0.02 . 1 . . . . . . . . 5589 1 269 . 1 1 25 25 ILE HG23 H 1 0.91 0.02 . 1 . . . . . . . . 5589 1 270 . 1 1 25 25 ILE HD11 H 1 0.82 0.02 . 1 . . . . . . . . 5589 1 271 . 1 1 25 25 ILE HD12 H 1 0.82 0.02 . 1 . . . . . . . . 5589 1 272 . 1 1 25 25 ILE HD13 H 1 0.82 0.02 . 1 . . . . . . . . 5589 1 273 . 1 1 25 25 ILE C C 13 176.8 0.1 . 1 . . . . . . . . 5589 1 274 . 1 1 25 25 ILE CA C 13 66.8 0.1 . 1 . . . . . . . . 5589 1 275 . 1 1 25 25 ILE CB C 13 39.1 0.1 . 1 . . . . . . . . 5589 1 276 . 1 1 25 25 ILE CG1 C 13 29.7 0.1 . 1 . . . . . . . . 5589 1 277 . 1 1 25 25 ILE CG2 C 13 16.3 0.1 . 1 . . . . . . . . 5589 1 278 . 1 1 25 25 ILE CD1 C 13 14.4 0.1 . 1 . . . . . . . . 5589 1 279 . 1 1 25 25 ILE N N 15 118.5 0.1 . 1 . . . . . . . . 5589 1 280 . 1 1 26 26 GLN H H 1 8.14 0.02 . 1 . . . . . . . . 5589 1 281 . 1 1 26 26 GLN HA H 1 4.01 0.02 . 1 . . . . . . . . 5589 1 282 . 1 1 26 26 GLN HB2 H 1 2.17 0.02 . 2 . . . . . . . . 5589 1 283 . 1 1 26 26 GLN HB3 H 1 2.29 0.02 . 2 . . . . . . . . 5589 1 284 . 1 1 26 26 GLN HG2 H 1 2.48 0.02 . 1 . . . . . . . . 5589 1 285 . 1 1 26 26 GLN HG3 H 1 2.48 0.02 . 1 . . . . . . . . 5589 1 286 . 1 1 26 26 GLN HE21 H 1 6.85 0.02 . 2 . . . . . . . . 5589 1 287 . 1 1 26 26 GLN HE22 H 1 7.77 0.02 . 2 . . . . . . . . 5589 1 288 . 1 1 26 26 GLN C C 13 178.0 0.1 . 1 . . . . . . . . 5589 1 289 . 1 1 26 26 GLN CA C 13 59.2 0.1 . 1 . . . . . . . . 5589 1 290 . 1 1 26 26 GLN CB C 13 28.3 0.1 . 1 . . . . . . . . 5589 1 291 . 1 1 26 26 GLN CG C 13 33.6 0.1 . 1 . . . . . . . . 5589 1 292 . 1 1 26 26 GLN N N 15 116.9 0.1 . 1 . . . . . . . . 5589 1 293 . 1 1 26 26 GLN NE2 N 15 111.8 0.1 . 1 . . . . . . . . 5589 1 294 . 1 1 27 27 ALA H H 1 7.87 0.02 . 1 . . . . . . . . 5589 1 295 . 1 1 27 27 ALA HA H 1 4.17 0.02 . 1 . . . . . . . . 5589 1 296 . 1 1 27 27 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 5589 1 297 . 1 1 27 27 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 5589 1 298 . 1 1 27 27 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 5589 1 299 . 1 1 27 27 ALA C C 13 180.5 0.1 . 1 . . . . . . . . 5589 1 300 . 1 1 27 27 ALA CA C 13 55.2 0.1 . 1 . . . . . . . . 5589 1 301 . 1 1 27 27 ALA CB C 13 18.2 0.1 . 1 . . . . . . . . 5589 1 302 . 1 1 27 27 ALA N N 15 121.1 0.1 . 1 . . . . . . . . 5589 1 303 . 1 1 28 28 LEU H H 1 8.07 0.02 . 1 . . . . . . . . 5589 1 304 . 1 1 28 28 LEU HA H 1 4.03 0.02 . 1 . . . . . . . . 5589 1 305 . 1 1 28 28 LEU HB2 H 1 1.30 0.02 . 2 . . . . . . . . 5589 1 306 . 1 1 28 28 LEU HB3 H 1 1.97 0.02 . 2 . . . . . . . . 5589 1 307 . 1 1 28 28 LEU HG H 1 1.70 0.02 . 2 . . . . . . . . 5589 1 308 . 1 1 28 28 LEU HD11 H 1 0.71 0.02 . 1 . . . . . . . . 5589 1 309 . 1 1 28 28 LEU HD12 H 1 0.71 0.02 . 1 . . . . . . . . 5589 1 310 . 1 1 28 28 LEU HD13 H 1 0.71 0.02 . 1 . . . . . . . . 5589 1 311 . 1 1 28 28 LEU HD21 H 1 0.80 0.02 . 1 . . . . . . . . 5589 1 312 . 1 1 28 28 LEU HD22 H 1 0.80 0.02 . 1 . . . . . . . . 5589 1 313 . 1 1 28 28 LEU HD23 H 1 0.80 0.02 . 1 . . . . . . . . 5589 1 314 . 1 1 28 28 LEU C C 13 180.1 0.1 . 1 . . . . . . . . 5589 1 315 . 1 1 28 28 LEU CA C 13 58.5 0.1 . 1 . . . . . . . . 5589 1 316 . 1 1 28 28 LEU CB C 13 42.1 0.1 . 1 . . . . . . . . 5589 1 317 . 1 1 28 28 LEU CG C 13 27.7 0.1 . 1 . . . . . . . . 5589 1 318 . 1 1 28 28 LEU CD1 C 13 26.8 0.1 . 1 . . . . . . . . 5589 1 319 . 1 1 28 28 LEU CD2 C 13 23.6 0.1 . 1 . . . . . . . . 5589 1 320 . 1 1 28 28 LEU N N 15 119.8 0.1 . 1 . . . . . . . . 5589 1 321 . 1 1 29 29 LEU H H 1 8.39 0.02 . 1 . . . . . . . . 5589 1 322 . 1 1 29 29 LEU HA H 1 4.10 0.02 . 1 . . . . . . . . 5589 1 323 . 1 1 29 29 LEU HB2 H 1 1.51 0.02 . 2 . . . . . . . . 5589 1 324 . 1 1 29 29 LEU HB3 H 1 2.01 0.02 . 2 . . . . . . . . 5589 1 325 . 1 1 29 29 LEU HG H 1 1.94 0.02 . 1 . . . . . . . . 5589 1 326 . 1 1 29 29 LEU HD11 H 1 0.82 0.02 . 2 . . . . . . . . 5589 1 327 . 1 1 29 29 LEU HD12 H 1 0.82 0.02 . 2 . . . . . . . . 5589 1 328 . 1 1 29 29 LEU HD13 H 1 0.82 0.02 . 2 . . . . . . . . 5589 1 329 . 1 1 29 29 LEU HD21 H 1 0.93 0.02 . 2 . . . . . . . . 5589 1 330 . 1 1 29 29 LEU HD22 H 1 0.93 0.02 . 2 . . . . . . . . 5589 1 331 . 1 1 29 29 LEU HD23 H 1 0.93 0.02 . 2 . . . . . . . . 5589 1 332 . 1 1 29 29 LEU C C 13 182.5 0.1 . 1 . . . . . . . . 5589 1 333 . 1 1 29 29 LEU CA C 13 57.9 0.1 . 1 . . . . . . . . 5589 1 334 . 1 1 29 29 LEU CB C 13 41.0 0.1 . 1 . . . . . . . . 5589 1 335 . 1 1 29 29 LEU CG C 13 26.5 0.1 . 1 . . . . . . . . 5589 1 336 . 1 1 29 29 LEU CD1 C 13 22.5 0.1 . 2 . . . . . . . . 5589 1 337 . 1 1 29 29 LEU CD2 C 13 25.9 0.1 . 2 . . . . . . . . 5589 1 338 . 1 1 29 29 LEU N N 15 119.3 0.1 . 1 . . . . . . . . 5589 1 339 . 1 1 30 30 GLU H H 1 8.76 0.02 . 1 . . . . . . . . 5589 1 340 . 1 1 30 30 GLU HA H 1 4.13 0.02 . 1 . . . . . . . . 5589 1 341 . 1 1 30 30 GLU HB2 H 1 2.18 0.02 . 2 . . . . . . . . 5589 1 342 . 1 1 30 30 GLU HB3 H 1 2.25 0.02 . 2 . . . . . . . . 5589 1 343 . 1 1 30 30 GLU HG2 H 1 2.41 0.02 . 2 . . . . . . . . 5589 1 344 . 1 1 30 30 GLU HG3 H 1 2.55 0.02 . 2 . . . . . . . . 5589 1 345 . 1 1 30 30 GLU C C 13 177.8 0.1 . 1 . . . . . . . . 5589 1 346 . 1 1 30 30 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . 5589 1 347 . 1 1 30 30 GLU CB C 13 29.4 0.1 . 1 . . . . . . . . 5589 1 348 . 1 1 30 30 GLU CG C 13 36.7 0.1 . 1 . . . . . . . . 5589 1 349 . 1 1 30 30 GLU N N 15 122.7 0.1 . 1 . . . . . . . . 5589 1 350 . 1 1 31 31 ASP H H 1 7.70 0.02 . 1 . . . . . . . . 5589 1 351 . 1 1 31 31 ASP HA H 1 4.90 0.02 . 1 . . . . . . . . 5589 1 352 . 1 1 31 31 ASP HB2 H 1 2.93 0.02 . 2 . . . . . . . . 5589 1 353 . 1 1 31 31 ASP HB3 H 1 2.99 0.02 . 2 . . . . . . . . 5589 1 354 . 1 1 31 31 ASP C C 13 176.7 0.1 . 1 . . . . . . . . 5589 1 355 . 1 1 31 31 ASP CA C 13 54.7 0.1 . 1 . . . . . . . . 5589 1 356 . 1 1 31 31 ASP CB C 13 41.6 0.1 . 1 . . . . . . . . 5589 1 357 . 1 1 31 31 ASP N N 15 117.9 0.1 . 1 . . . . . . . . 5589 1 358 . 1 1 32 32 GLY H H 1 7.83 0.02 . 1 . . . . . . . . 5589 1 359 . 1 1 32 32 GLY HA2 H 1 3.85 0.02 . 1 . . . . . . . . 5589 1 360 . 1 1 32 32 GLY HA3 H 1 4.40 0.02 . 1 . . . . . . . . 5589 1 361 . 1 1 32 32 GLY C C 13 174.6 0.1 . 1 . . . . . . . . 5589 1 362 . 1 1 32 32 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . 5589 1 363 . 1 1 32 32 GLY N N 15 106.1 0.1 . 1 . . . . . . . . 5589 1 364 . 1 1 33 33 SER H H 1 7.95 0.02 . 1 . . . . . . . . 5589 1 365 . 1 1 33 33 SER HA H 1 3.88 0.02 . 1 . . . . . . . . 5589 1 366 . 1 1 33 33 SER HB2 H 1 3.38 0.02 . 2 . . . . . . . . 5589 1 367 . 1 1 33 33 SER HB3 H 1 3.65 0.02 . 2 . . . . . . . . 5589 1 368 . 1 1 33 33 SER C C 13 174.0 0.1 . 1 . . . . . . . . 5589 1 369 . 1 1 33 33 SER CA C 13 60.0 0.1 . 1 . . . . . . . . 5589 1 370 . 1 1 33 33 SER CB C 13 63.8 0.1 . 1 . . . . . . . . 5589 1 371 . 1 1 33 33 SER N N 15 116.8 0.1 . 1 . . . . . . . . 5589 1 372 . 1 1 34 34 ASP H H 1 7.93 0.02 . 1 . . . . . . . . 5589 1 373 . 1 1 34 34 ASP HB2 H 1 2.77 0.02 . 2 . . . . . . . . 5589 1 374 . 1 1 34 34 ASP HB3 H 1 3.04 0.02 . 2 . . . . . . . . 5589 1 375 . 1 1 34 34 ASP CB C 13 42.1 0.1 . 1 . . . . . . . . 5589 1 376 . 1 1 34 34 ASP N N 15 123.3 0.1 . 1 . . . . . . . . 5589 1 377 . 1 1 35 35 PRO HA H 1 4.45 0.02 . 1 . . . . . . . . 5589 1 378 . 1 1 35 35 PRO HB2 H 1 2.12 0.02 . 2 . . . . . . . . 5589 1 379 . 1 1 35 35 PRO HB3 H 1 2.36 0.02 . 2 . . . . . . . . 5589 1 380 . 1 1 35 35 PRO HG2 H 1 2.06 0.02 . 2 . . . . . . . . 5589 1 381 . 1 1 35 35 PRO HG3 H 1 2.15 0.02 . 2 . . . . . . . . 5589 1 382 . 1 1 35 35 PRO HD2 H 1 4.12 0.02 . 1 . . . . . . . . 5589 1 383 . 1 1 35 35 PRO HD3 H 1 4.12 0.02 . 1 . . . . . . . . 5589 1 384 . 1 1 35 35 PRO C C 13 177.4 0.1 . 1 . . . . . . . . 5589 1 385 . 1 1 35 35 PRO CA C 13 64.8 0.1 . 1 . . . . . . . . 5589 1 386 . 1 1 35 35 PRO CB C 13 32.5 0.1 . 1 . . . . . . . . 5589 1 387 . 1 1 35 35 PRO CG C 13 27.0 0.1 . 1 . . . . . . . . 5589 1 388 . 1 1 35 35 PRO CD C 13 51.6 0.1 . 1 . . . . . . . . 5589 1 389 . 1 1 36 36 ASP H H 1 8.59 0.02 . 1 . . . . . . . . 5589 1 390 . 1 1 36 36 ASP HA H 1 4.93 0.02 . 1 . . . . . . . . 5589 1 391 . 1 1 36 36 ASP HB2 H 1 2.61 0.02 . 2 . . . . . . . . 5589 1 392 . 1 1 36 36 ASP HB3 H 1 2.92 0.02 . 2 . . . . . . . . 5589 1 393 . 1 1 36 36 ASP C C 13 175.6 0.1 . 1 . . . . . . . . 5589 1 394 . 1 1 36 36 ASP CA C 13 54.5 0.1 . 1 . . . . . . . . 5589 1 395 . 1 1 36 36 ASP CB C 13 42.1 0.1 . 1 . . . . . . . . 5589 1 396 . 1 1 36 36 ASP N N 15 118.3 0.1 . 1 . . . . . . . . 5589 1 397 . 1 1 37 37 ALA H H 1 6.85 0.02 . 1 . . . . . . . . 5589 1 398 . 1 1 37 37 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 5589 1 399 . 1 1 37 37 ALA HB1 H 1 1.26 0.02 . 1 . . . . . . . . 5589 1 400 . 1 1 37 37 ALA HB2 H 1 1.26 0.02 . 1 . . . . . . . . 5589 1 401 . 1 1 37 37 ALA HB3 H 1 1.26 0.02 . 1 . . . . . . . . 5589 1 402 . 1 1 37 37 ALA C C 13 174.9 0.1 . 1 . . . . . . . . 5589 1 403 . 1 1 37 37 ALA CA C 13 51.8 0.1 . 1 . . . . . . . . 5589 1 404 . 1 1 37 37 ALA CB C 13 19.7 0.1 . 1 . . . . . . . . 5589 1 405 . 1 1 37 37 ALA N N 15 122.4 0.1 . 1 . . . . . . . . 5589 1 406 . 1 1 38 38 LEU H H 1 8.01 0.02 . 1 . . . . . . . . 5589 1 407 . 1 1 38 38 LEU HA H 1 4.52 0.02 . 1 . . . . . . . . 5589 1 408 . 1 1 38 38 LEU HB2 H 1 1.21 0.02 . 2 . . . . . . . . 5589 1 409 . 1 1 38 38 LEU HB3 H 1 1.56 0.02 . 2 . . . . . . . . 5589 1 410 . 1 1 38 38 LEU HG H 1 1.55 0.02 . 1 . . . . . . . . 5589 1 411 . 1 1 38 38 LEU HD11 H 1 0.78 0.02 . 2 . . . . . . . . 5589 1 412 . 1 1 38 38 LEU HD12 H 1 0.78 0.02 . 2 . . . . . . . . 5589 1 413 . 1 1 38 38 LEU HD13 H 1 0.78 0.02 . 2 . . . . . . . . 5589 1 414 . 1 1 38 38 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . 5589 1 415 . 1 1 38 38 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . 5589 1 416 . 1 1 38 38 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . 5589 1 417 . 1 1 38 38 LEU C C 13 176.4 0.1 . 1 . . . . . . . . 5589 1 418 . 1 1 38 38 LEU CA C 13 54.3 0.1 . 1 . . . . . . . . 5589 1 419 . 1 1 38 38 LEU CB C 13 43.0 0.1 . 1 . . . . . . . . 5589 1 420 . 1 1 38 38 LEU CG C 13 27.0 0.1 . 1 . . . . . . . . 5589 1 421 . 1 1 38 38 LEU CD1 C 13 23.8 0.1 . 2 . . . . . . . . 5589 1 422 . 1 1 38 38 LEU CD2 C 13 24.5 0.1 . 2 . . . . . . . . 5589 1 423 . 1 1 38 38 LEU N N 15 118.6 0.1 . 1 . . . . . . . . 5589 1 424 . 1 1 39 39 TYR H H 1 8.81 0.02 . 1 . . . . . . . . 5589 1 425 . 1 1 39 39 TYR HA H 1 4.54 0.02 . 1 . . . . . . . . 5589 1 426 . 1 1 39 39 TYR HB2 H 1 2.73 0.02 . 2 . . . . . . . . 5589 1 427 . 1 1 39 39 TYR HB3 H 1 3.08 0.02 . 2 . . . . . . . . 5589 1 428 . 1 1 39 39 TYR HD1 H 1 7.38 0.02 . 1 . . . . . . . . 5589 1 429 . 1 1 39 39 TYR HD2 H 1 7.38 0.02 . 1 . . . . . . . . 5589 1 430 . 1 1 39 39 TYR HE1 H 1 6.80 0.02 . 1 . . . . . . . . 5589 1 431 . 1 1 39 39 TYR HE2 H 1 6.80 0.02 . 1 . . . . . . . . 5589 1 432 . 1 1 39 39 TYR C C 13 174.9 0.1 . 1 . . . . . . . . 5589 1 433 . 1 1 39 39 TYR CA C 13 57.9 0.1 . 1 . . . . . . . . 5589 1 434 . 1 1 39 39 TYR CB C 13 41.0 0.1 . 1 . . . . . . . . 5589 1 435 . 1 1 39 39 TYR CD1 C 13 134.0 0.1 . 1 . . . . . . . . 5589 1 436 . 1 1 39 39 TYR CD2 C 13 134.0 0.1 . 1 . . . . . . . . 5589 1 437 . 1 1 39 39 TYR CE1 C 13 118.0 0.1 . 1 . . . . . . . . 5589 1 438 . 1 1 39 39 TYR CE2 C 13 118.0 0.1 . 1 . . . . . . . . 5589 1 439 . 1 1 39 39 TYR N N 15 124.2 0.1 . 1 . . . . . . . . 5589 1 440 . 1 1 40 40 GLU H H 1 8.91 0.02 . 1 . . . . . . . . 5589 1 441 . 1 1 40 40 GLU HA H 1 4.42 0.02 . 1 . . . . . . . . 5589 1 442 . 1 1 40 40 GLU HB2 H 1 2.14 0.02 . 1 . . . . . . . . 5589 1 443 . 1 1 40 40 GLU HB3 H 1 2.14 0.02 . 1 . . . . . . . . 5589 1 444 . 1 1 40 40 GLU HG2 H 1 2.24 0.02 . 1 . . . . . . . . 5589 1 445 . 1 1 40 40 GLU HG3 H 1 2.24 0.02 . 1 . . . . . . . . 5589 1 446 . 1 1 40 40 GLU C C 13 175.1 0.1 . 1 . . . . . . . . 5589 1 447 . 1 1 40 40 GLU CA C 13 56.1 0.1 . 1 . . . . . . . . 5589 1 448 . 1 1 40 40 GLU CB C 13 29.5 0.1 . 1 . . . . . . . . 5589 1 449 . 1 1 40 40 GLU CG C 13 36.5 0.1 . 1 . . . . . . . . 5589 1 450 . 1 1 40 40 GLU N N 15 120.4 0.1 . 1 . . . . . . . . 5589 1 451 . 1 1 41 41 ILE H H 1 9.00 0.02 . 1 . . . . . . . . 5589 1 452 . 1 1 41 41 ILE HA H 1 4.10 0.02 . 1 . . . . . . . . 5589 1 453 . 1 1 41 41 ILE HB H 1 2.70 0.02 . 1 . . . . . . . . 5589 1 454 . 1 1 41 41 ILE HG12 H 1 0.91 0.02 . 2 . . . . . . . . 5589 1 455 . 1 1 41 41 ILE HG13 H 1 1.79 0.02 . 2 . . . . . . . . 5589 1 456 . 1 1 41 41 ILE HG21 H 1 0.09 0.02 . 1 . . . . . . . . 5589 1 457 . 1 1 41 41 ILE HG22 H 1 0.09 0.02 . 1 . . . . . . . . 5589 1 458 . 1 1 41 41 ILE HG23 H 1 0.09 0.02 . 1 . . . . . . . . 5589 1 459 . 1 1 41 41 ILE HD11 H 1 0.28 0.02 . 1 . . . . . . . . 5589 1 460 . 1 1 41 41 ILE HD12 H 1 0.28 0.02 . 1 . . . . . . . . 5589 1 461 . 1 1 41 41 ILE HD13 H 1 0.28 0.02 . 1 . . . . . . . . 5589 1 462 . 1 1 41 41 ILE C C 13 174.1 0.1 . 1 . . . . . . . . 5589 1 463 . 1 1 41 41 ILE CA C 13 59.6 0.1 . 1 . . . . . . . . 5589 1 464 . 1 1 41 41 ILE CB C 13 33.9 0.1 . 1 . . . . . . . . 5589 1 465 . 1 1 41 41 ILE CG1 C 13 26.8 0.1 . 1 . . . . . . . . 5589 1 466 . 1 1 41 41 ILE CG2 C 13 17.5 0.1 . 1 . . . . . . . . 5589 1 467 . 1 1 41 41 ILE CD1 C 13 8.8 0.1 . 1 . . . . . . . . 5589 1 468 . 1 1 41 41 ILE N N 15 132.2 0.1 . 1 . . . . . . . . 5589 1 469 . 1 1 42 42 GLU H H 1 8.90 0.02 . 1 . . . . . . . . 5589 1 470 . 1 1 42 42 GLU HA H 1 4.69 0.02 . 1 . . . . . . . . 5589 1 471 . 1 1 42 42 GLU HB2 H 1 1.97 0.02 . 2 . . . . . . . . 5589 1 472 . 1 1 42 42 GLU HB3 H 1 2.07 0.02 . 2 . . . . . . . . 5589 1 473 . 1 1 42 42 GLU HG2 H 1 2.31 0.02 . 1 . . . . . . . . 5589 1 474 . 1 1 42 42 GLU HG3 H 1 2.31 0.02 . 1 . . . . . . . . 5589 1 475 . 1 1 42 42 GLU C C 13 174.0 0.1 . 1 . . . . . . . . 5589 1 476 . 1 1 42 42 GLU CA C 13 55.1 0.1 . 1 . . . . . . . . 5589 1 477 . 1 1 42 42 GLU CB C 13 31.7 0.1 . 1 . . . . . . . . 5589 1 478 . 1 1 42 42 GLU CG C 13 36.7 0.1 . 1 . . . . . . . . 5589 1 479 . 1 1 42 42 GLU N N 15 127.9 0.1 . 1 . . . . . . . . 5589 1 480 . 1 1 43 43 HIS H H 1 8.99 0.02 . 1 . . . . . . . . 5589 1 481 . 1 1 43 43 HIS HA H 1 4.83 0.02 . 1 . . . . . . . . 5589 1 482 . 1 1 43 43 HIS HB2 H 1 2.96 0.02 . 2 . . . . . . . . 5589 1 483 . 1 1 43 43 HIS HB3 H 1 3.32 0.02 . 2 . . . . . . . . 5589 1 484 . 1 1 43 43 HIS HD2 H 1 7.22 0.02 . 1 . . . . . . . . 5589 1 485 . 1 1 43 43 HIS HE1 H 1 7.10 0.02 . 1 . . . . . . . . 5589 1 486 . 1 1 43 43 HIS C C 13 175.6 0.1 . 1 . . . . . . . . 5589 1 487 . 1 1 43 43 HIS CA C 13 55.6 0.1 . 1 . . . . . . . . 5589 1 488 . 1 1 43 43 HIS CB C 13 33.2 0.1 . 1 . . . . . . . . 5589 1 489 . 1 1 43 43 HIS CD2 C 13 119.0 0.1 . 1 . . . . . . . . 5589 1 490 . 1 1 43 43 HIS CE1 C 13 135.2 0.1 . 1 . . . . . . . . 5589 1 491 . 1 1 43 43 HIS N N 15 125.7 0.1 . 1 . . . . . . . . 5589 1 492 . 1 1 44 44 HIS H H 1 8.87 0.02 . 1 . . . . . . . . 5589 1 493 . 1 1 44 44 HIS HA H 1 5.28 0.02 . 1 . . . . . . . . 5589 1 494 . 1 1 44 44 HIS HB2 H 1 2.94 0.02 . 2 . . . . . . . . 5589 1 495 . 1 1 44 44 HIS HB3 H 1 2.99 0.02 . 2 . . . . . . . . 5589 1 496 . 1 1 44 44 HIS HD2 H 1 7.27 0.02 . 1 . . . . . . . . 5589 1 497 . 1 1 44 44 HIS HE1 H 1 8.51 0.02 . 1 . . . . . . . . 5589 1 498 . 1 1 44 44 HIS C C 13 172.4 0.1 . 1 . . . . . . . . 5589 1 499 . 1 1 44 44 HIS CA C 13 54.3 0.1 . 1 . . . . . . . . 5589 1 500 . 1 1 44 44 HIS CB C 13 30.5 0.1 . 1 . . . . . . . . 5589 1 501 . 1 1 44 44 HIS CD2 C 13 120.6 0.1 . 1 . . . . . . . . 5589 1 502 . 1 1 44 44 HIS CE1 C 13 136.0 0.1 . 1 . . . . . . . . 5589 1 503 . 1 1 44 44 HIS N N 15 119.9 0.1 . 1 . . . . . . . . 5589 1 504 . 1 1 45 45 LEU H H 1 8.32 0.02 . 1 . . . . . . . . 5589 1 505 . 1 1 45 45 LEU HA H 1 5.30 0.02 . 1 . . . . . . . . 5589 1 506 . 1 1 45 45 LEU HB2 H 1 0.63 0.02 . 2 . . . . . . . . 5589 1 507 . 1 1 45 45 LEU HB3 H 1 1.16 0.02 . 2 . . . . . . . . 5589 1 508 . 1 1 45 45 LEU HG H 1 1.69 0.02 . 1 . . . . . . . . 5589 1 509 . 1 1 45 45 LEU HD11 H 1 0.64 0.02 . 2 . . . . . . . . 5589 1 510 . 1 1 45 45 LEU HD12 H 1 0.64 0.02 . 2 . . . . . . . . 5589 1 511 . 1 1 45 45 LEU HD13 H 1 0.64 0.02 . 2 . . . . . . . . 5589 1 512 . 1 1 45 45 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . 5589 1 513 . 1 1 45 45 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . 5589 1 514 . 1 1 45 45 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . 5589 1 515 . 1 1 45 45 LEU C C 13 175.2 0.1 . 1 . . . . . . . . 5589 1 516 . 1 1 45 45 LEU CA C 13 54.8 0.1 . 1 . . . . . . . . 5589 1 517 . 1 1 45 45 LEU CB C 13 43.9 0.1 . 1 . . . . . . . . 5589 1 518 . 1 1 45 45 LEU CG C 13 29.8 0.1 . 1 . . . . . . . . 5589 1 519 . 1 1 45 45 LEU CD1 C 13 25.5 0.1 . 2 . . . . . . . . 5589 1 520 . 1 1 45 45 LEU CD2 C 13 26.6 0.1 . 2 . . . . . . . . 5589 1 521 . 1 1 45 45 LEU N N 15 124.8 0.1 . 1 . . . . . . . . 5589 1 522 . 1 1 46 46 PHE H H 1 8.89 0.02 . 1 . . . . . . . . 5589 1 523 . 1 1 46 46 PHE HA H 1 5.74 0.02 . 1 . . . . . . . . 5589 1 524 . 1 1 46 46 PHE HB2 H 1 2.93 0.02 . 2 . . . . . . . . 5589 1 525 . 1 1 46 46 PHE HB3 H 1 3.04 0.02 . 2 . . . . . . . . 5589 1 526 . 1 1 46 46 PHE HD1 H 1 6.94 0.02 . 1 . . . . . . . . 5589 1 527 . 1 1 46 46 PHE HD2 H 1 6.94 0.02 . 1 . . . . . . . . 5589 1 528 . 1 1 46 46 PHE HE1 H 1 7.20 0.02 . 1 . . . . . . . . 5589 1 529 . 1 1 46 46 PHE HE2 H 1 7.20 0.02 . 1 . . . . . . . . 5589 1 530 . 1 1 46 46 PHE HZ H 1 7.18 0.02 . 1 . . . . . . . . 5589 1 531 . 1 1 46 46 PHE C C 13 174.2 0.1 . 1 . . . . . . . . 5589 1 532 . 1 1 46 46 PHE CA C 13 56.0 0.1 . 1 . . . . . . . . 5589 1 533 . 1 1 46 46 PHE CB C 13 44.0 0.1 . 1 . . . . . . . . 5589 1 534 . 1 1 46 46 PHE CD1 C 13 131.6 0.1 . 1 . . . . . . . . 5589 1 535 . 1 1 46 46 PHE CD2 C 13 131.6 0.1 . 1 . . . . . . . . 5589 1 536 . 1 1 46 46 PHE CE1 C 13 131.4 0.1 . 1 . . . . . . . . 5589 1 537 . 1 1 46 46 PHE CE2 C 13 131.4 0.1 . 1 . . . . . . . . 5589 1 538 . 1 1 46 46 PHE CZ C 13 129.9 0.1 . 1 . . . . . . . . 5589 1 539 . 1 1 46 46 PHE N N 15 116.2 0.1 . 1 . . . . . . . . 5589 1 540 . 1 1 47 47 ALA H H 1 9.22 0.02 . 1 . . . . . . . . 5589 1 541 . 1 1 47 47 ALA HA H 1 4.97 0.02 . 1 . . . . . . . . 5589 1 542 . 1 1 47 47 ALA HB1 H 1 1.63 0.02 . 1 . . . . . . . . 5589 1 543 . 1 1 47 47 ALA HB2 H 1 1.63 0.02 . 1 . . . . . . . . 5589 1 544 . 1 1 47 47 ALA HB3 H 1 1.63 0.02 . 1 . . . . . . . . 5589 1 545 . 1 1 47 47 ALA C C 13 176.0 0.1 . 1 . . . . . . . . 5589 1 546 . 1 1 47 47 ALA CA C 13 51.4 0.1 . 1 . . . . . . . . 5589 1 547 . 1 1 47 47 ALA CB C 13 25.1 0.1 . 1 . . . . . . . . 5589 1 548 . 1 1 47 47 ALA N N 15 118.7 0.1 . 1 . . . . . . . . 5589 1 549 . 1 1 48 48 GLU H H 1 9.06 0.02 . 1 . . . . . . . . 5589 1 550 . 1 1 48 48 GLU HA H 1 4.63 0.02 . 1 . . . . . . . . 5589 1 551 . 1 1 48 48 GLU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5589 1 552 . 1 1 48 48 GLU HB3 H 1 2.24 0.02 . 2 . . . . . . . . 5589 1 553 . 1 1 48 48 GLU HG2 H 1 2.42 0.02 . 1 . . . . . . . . 5589 1 554 . 1 1 48 48 GLU HG3 H 1 2.42 0.02 . 1 . . . . . . . . 5589 1 555 . 1 1 48 48 GLU C C 13 175.5 0.1 . 1 . . . . . . . . 5589 1 556 . 1 1 48 48 GLU CA C 13 57.4 0.1 . 1 . . . . . . . . 5589 1 557 . 1 1 48 48 GLU CB C 13 31.1 0.1 . 1 . . . . . . . . 5589 1 558 . 1 1 48 48 GLU CG C 13 36.7 0.1 . 1 . . . . . . . . 5589 1 559 . 1 1 48 48 GLU N N 15 117.2 0.1 . 1 . . . . . . . . 5589 1 560 . 1 1 49 49 ASP H H 1 7.27 0.02 . 1 . . . . . . . . 5589 1 561 . 1 1 49 49 ASP HA H 1 4.94 0.02 . 1 . . . . . . . . 5589 1 562 . 1 1 49 49 ASP HB2 H 1 2.78 0.02 . 2 . . . . . . . . 5589 1 563 . 1 1 49 49 ASP HB3 H 1 2.93 0.02 . 2 . . . . . . . . 5589 1 564 . 1 1 49 49 ASP C C 13 175.3 0.1 . 1 . . . . . . . . 5589 1 565 . 1 1 49 49 ASP CA C 13 53.2 0.1 . 1 . . . . . . . . 5589 1 566 . 1 1 49 49 ASP CB C 13 44.0 0.1 . 1 . . . . . . . . 5589 1 567 . 1 1 49 49 ASP N N 15 116.3 0.1 . 1 . . . . . . . . 5589 1 568 . 1 1 50 50 PHE H H 1 9.01 0.02 . 1 . . . . . . . . 5589 1 569 . 1 1 50 50 PHE HA H 1 4.04 0.02 . 1 . . . . . . . . 5589 1 570 . 1 1 50 50 PHE HB2 H 1 3.15 0.02 . 2 . . . . . . . . 5589 1 571 . 1 1 50 50 PHE HB3 H 1 3.19 0.02 . 2 . . . . . . . . 5589 1 572 . 1 1 50 50 PHE HD1 H 1 7.30 0.02 . 1 . . . . . . . . 5589 1 573 . 1 1 50 50 PHE HD2 H 1 7.30 0.02 . 1 . . . . . . . . 5589 1 574 . 1 1 50 50 PHE HE1 H 1 7.38 0.02 . 1 . . . . . . . . 5589 1 575 . 1 1 50 50 PHE HE2 H 1 7.38 0.02 . 1 . . . . . . . . 5589 1 576 . 1 1 50 50 PHE HZ H 1 7.06 0.02 . 1 . . . . . . . . 5589 1 577 . 1 1 50 50 PHE C C 13 176.3 0.1 . 1 . . . . . . . . 5589 1 578 . 1 1 50 50 PHE CA C 13 61.4 0.1 . 1 . . . . . . . . 5589 1 579 . 1 1 50 50 PHE CB C 13 39.5 0.1 . 1 . . . . . . . . 5589 1 580 . 1 1 50 50 PHE CD1 C 13 131.6 0.1 . 1 . . . . . . . . 5589 1 581 . 1 1 50 50 PHE CD2 C 13 131.6 0.1 . 1 . . . . . . . . 5589 1 582 . 1 1 50 50 PHE CE1 C 13 131.6 0.1 . 1 . . . . . . . . 5589 1 583 . 1 1 50 50 PHE CE2 C 13 131.6 0.1 . 1 . . . . . . . . 5589 1 584 . 1 1 50 50 PHE CZ C 13 131.1 0.1 . 1 . . . . . . . . 5589 1 585 . 1 1 50 50 PHE N N 15 124.3 0.1 . 1 . . . . . . . . 5589 1 586 . 1 1 51 51 ASP H H 1 8.35 0.02 . 1 . . . . . . . . 5589 1 587 . 1 1 51 51 ASP HA H 1 4.35 0.02 . 1 . . . . . . . . 5589 1 588 . 1 1 51 51 ASP HB2 H 1 2.72 0.02 . 2 . . . . . . . . 5589 1 589 . 1 1 51 51 ASP HB3 H 1 2.80 0.02 . 2 . . . . . . . . 5589 1 590 . 1 1 51 51 ASP C C 13 178.8 0.1 . 1 . . . . . . . . 5589 1 591 . 1 1 51 51 ASP CA C 13 57.7 0.1 . 1 . . . . . . . . 5589 1 592 . 1 1 51 51 ASP CB C 13 41.0 0.1 . 1 . . . . . . . . 5589 1 593 . 1 1 51 51 ASP N N 15 119.2 0.1 . 1 . . . . . . . . 5589 1 594 . 1 1 52 52 LYS H H 1 7.81 0.02 . 1 . . . . . . . . 5589 1 595 . 1 1 52 52 LYS HA H 1 4.02 0.02 . 1 . . . . . . . . 5589 1 596 . 1 1 52 52 LYS HB2 H 1 2.16 0.02 . 1 . . . . . . . . 5589 1 597 . 1 1 52 52 LYS HB3 H 1 2.16 0.02 . 1 . . . . . . . . 5589 1 598 . 1 1 52 52 LYS HG2 H 1 1.61 0.02 . 2 . . . . . . . . 5589 1 599 . 1 1 52 52 LYS HG3 H 1 1.82 0.02 . 2 . . . . . . . . 5589 1 600 . 1 1 52 52 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 5589 1 601 . 1 1 52 52 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 5589 1 602 . 1 1 52 52 LYS HE2 H 1 3.20 0.02 . 1 . . . . . . . . 5589 1 603 . 1 1 52 52 LYS HE3 H 1 3.20 0.02 . 1 . . . . . . . . 5589 1 604 . 1 1 52 52 LYS C C 13 178.0 0.1 . 1 . . . . . . . . 5589 1 605 . 1 1 52 52 LYS CA C 13 59.7 0.1 . 1 . . . . . . . . 5589 1 606 . 1 1 52 52 LYS CB C 13 33.2 0.1 . 1 . . . . . . . . 5589 1 607 . 1 1 52 52 LYS CG C 13 26.4 0.1 . 1 . . . . . . . . 5589 1 608 . 1 1 52 52 LYS CD C 13 30.0 0.1 . 1 . . . . . . . . 5589 1 609 . 1 1 52 52 LYS CE C 13 42.5 0.1 . 1 . . . . . . . . 5589 1 610 . 1 1 52 52 LYS N N 15 118.2 0.1 . 1 . . . . . . . . 5589 1 611 . 1 1 53 53 LEU H H 1 7.30 0.02 . 1 . . . . . . . . 5589 1 612 . 1 1 53 53 LEU HA H 1 3.69 0.02 . 1 . . . . . . . . 5589 1 613 . 1 1 53 53 LEU HB2 H 1 1.49 0.02 . 2 . . . . . . . . 5589 1 614 . 1 1 53 53 LEU HB3 H 1 1.70 0.02 . 2 . . . . . . . . 5589 1 615 . 1 1 53 53 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 5589 1 616 . 1 1 53 53 LEU HD11 H 1 0.71 0.02 . 2 . . . . . . . . 5589 1 617 . 1 1 53 53 LEU HD12 H 1 0.71 0.02 . 2 . . . . . . . . 5589 1 618 . 1 1 53 53 LEU HD13 H 1 0.71 0.02 . 2 . . . . . . . . 5589 1 619 . 1 1 53 53 LEU HD21 H 1 0.73 0.02 . 2 . . . . . . . . 5589 1 620 . 1 1 53 53 LEU HD22 H 1 0.73 0.02 . 2 . . . . . . . . 5589 1 621 . 1 1 53 53 LEU HD23 H 1 0.73 0.02 . 2 . . . . . . . . 5589 1 622 . 1 1 53 53 LEU C C 13 177.9 0.1 . 1 . . . . . . . . 5589 1 623 . 1 1 53 53 LEU CA C 13 58.7 0.1 . 1 . . . . . . . . 5589 1 624 . 1 1 53 53 LEU CB C 13 42.1 0.1 . 1 . . . . . . . . 5589 1 625 . 1 1 53 53 LEU CG C 13 25.0 0.1 . 1 . . . . . . . . 5589 1 626 . 1 1 53 53 LEU CD1 C 13 25.0 0.1 . 2 . . . . . . . . 5589 1 627 . 1 1 53 53 LEU CD2 C 13 25.9 0.1 . 2 . . . . . . . . 5589 1 628 . 1 1 53 53 LEU N N 15 118.4 0.1 . 1 . . . . . . . . 5589 1 629 . 1 1 54 54 GLU H H 1 8.25 0.02 . 1 . . . . . . . . 5589 1 630 . 1 1 54 54 GLU HA H 1 3.66 0.02 . 1 . . . . . . . . 5589 1 631 . 1 1 54 54 GLU HB2 H 1 1.85 0.02 . 1 . . . . . . . . 5589 1 632 . 1 1 54 54 GLU HB3 H 1 1.85 0.02 . 1 . . . . . . . . 5589 1 633 . 1 1 54 54 GLU HG2 H 1 2.03 0.02 . 2 . . . . . . . . 5589 1 634 . 1 1 54 54 GLU HG3 H 1 2.20 0.02 . 2 . . . . . . . . 5589 1 635 . 1 1 54 54 GLU C C 13 178.9 0.1 . 1 . . . . . . . . 5589 1 636 . 1 1 54 54 GLU CA C 13 59.6 0.1 . 1 . . . . . . . . 5589 1 637 . 1 1 54 54 GLU CB C 13 29.5 0.1 . 1 . . . . . . . . 5589 1 638 . 1 1 54 54 GLU CG C 13 36.4 0.1 . 1 . . . . . . . . 5589 1 639 . 1 1 54 54 GLU N N 15 117.7 0.1 . 1 . . . . . . . . 5589 1 640 . 1 1 55 55 LYS H H 1 7.40 0.02 . 1 . . . . . . . . 5589 1 641 . 1 1 55 55 LYS HA H 1 3.82 0.02 . 1 . . . . . . . . 5589 1 642 . 1 1 55 55 LYS HB2 H 1 1.58 0.02 . 1 . . . . . . . . 5589 1 643 . 1 1 55 55 LYS HB3 H 1 1.58 0.02 . 1 . . . . . . . . 5589 1 644 . 1 1 55 55 LYS HG2 H 1 1.42 0.02 . 1 . . . . . . . . 5589 1 645 . 1 1 55 55 LYS HG3 H 1 1.42 0.02 . 1 . . . . . . . . 5589 1 646 . 1 1 55 55 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 5589 1 647 . 1 1 55 55 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 5589 1 648 . 1 1 55 55 LYS HE2 H 1 3.05 0.02 . 1 . . . . . . . . 5589 1 649 . 1 1 55 55 LYS HE3 H 1 3.05 0.02 . 1 . . . . . . . . 5589 1 650 . 1 1 55 55 LYS C C 13 179.0 0.1 . 1 . . . . . . . . 5589 1 651 . 1 1 55 55 LYS CA C 13 59.3 0.1 . 1 . . . . . . . . 5589 1 652 . 1 1 55 55 LYS CB C 13 32.7 0.1 . 1 . . . . . . . . 5589 1 653 . 1 1 55 55 LYS CG C 13 26.1 0.1 . 1 . . . . . . . . 5589 1 654 . 1 1 55 55 LYS CD C 13 26.3 0.1 . 1 . . . . . . . . 5589 1 655 . 1 1 55 55 LYS N N 15 117.3 0.1 . 1 . . . . . . . . 5589 1 656 . 1 1 56 56 ALA H H 1 7.65 0.02 . 1 . . . . . . . . 5589 1 657 . 1 1 56 56 ALA HA H 1 3.29 0.02 . 1 . . . . . . . . 5589 1 658 . 1 1 56 56 ALA HB1 H 1 1.27 0.02 . 1 . . . . . . . . 5589 1 659 . 1 1 56 56 ALA HB2 H 1 1.27 0.02 . 1 . . . . . . . . 5589 1 660 . 1 1 56 56 ALA HB3 H 1 1.27 0.02 . 1 . . . . . . . . 5589 1 661 . 1 1 56 56 ALA C C 13 178.6 0.1 . 1 . . . . . . . . 5589 1 662 . 1 1 56 56 ALA CA C 13 54.6 0.1 . 1 . . . . . . . . 5589 1 663 . 1 1 56 56 ALA CB C 13 18.9 0.1 . 1 . . . . . . . . 5589 1 664 . 1 1 56 56 ALA N N 15 121.4 0.1 . 1 . . . . . . . . 5589 1 665 . 1 1 57 57 ALA H H 1 8.40 0.02 . 1 . . . . . . . . 5589 1 666 . 1 1 57 57 ALA HA H 1 3.47 0.02 . 1 . . . . . . . . 5589 1 667 . 1 1 57 57 ALA HB1 H 1 0.88 0.02 . 1 . . . . . . . . 5589 1 668 . 1 1 57 57 ALA HB2 H 1 0.88 0.02 . 1 . . . . . . . . 5589 1 669 . 1 1 57 57 ALA HB3 H 1 0.88 0.02 . 1 . . . . . . . . 5589 1 670 . 1 1 57 57 ALA C C 13 179.8 0.1 . 1 . . . . . . . . 5589 1 671 . 1 1 57 57 ALA CA C 13 55.5 0.1 . 1 . . . . . . . . 5589 1 672 . 1 1 57 57 ALA CB C 13 17.6 0.1 . 1 . . . . . . . . 5589 1 673 . 1 1 57 57 ALA N N 15 120.7 0.1 . 1 . . . . . . . . 5589 1 674 . 1 1 58 58 VAL H H 1 7.44 0.02 . 1 . . . . . . . . 5589 1 675 . 1 1 58 58 VAL HA H 1 3.73 0.02 . 1 . . . . . . . . 5589 1 676 . 1 1 58 58 VAL HB H 1 2.15 0.02 . 1 . . . . . . . . 5589 1 677 . 1 1 58 58 VAL HG11 H 1 1.02 0.02 . 2 . . . . . . . . 5589 1 678 . 1 1 58 58 VAL HG12 H 1 1.02 0.02 . 2 . . . . . . . . 5589 1 679 . 1 1 58 58 VAL HG13 H 1 1.02 0.02 . 2 . . . . . . . . 5589 1 680 . 1 1 58 58 VAL HG21 H 1 1.10 0.02 . 2 . . . . . . . . 5589 1 681 . 1 1 58 58 VAL HG22 H 1 1.10 0.02 . 2 . . . . . . . . 5589 1 682 . 1 1 58 58 VAL HG23 H 1 1.10 0.02 . 2 . . . . . . . . 5589 1 683 . 1 1 58 58 VAL C C 13 178.6 0.1 . 1 . . . . . . . . 5589 1 684 . 1 1 58 58 VAL CA C 13 66.6 0.1 . 1 . . . . . . . . 5589 1 685 . 1 1 58 58 VAL CB C 13 32.0 0.1 . 1 . . . . . . . . 5589 1 686 . 1 1 58 58 VAL CG1 C 13 21.4 0.1 . 2 . . . . . . . . 5589 1 687 . 1 1 58 58 VAL CG2 C 13 23.2 0.1 . 2 . . . . . . . . 5589 1 688 . 1 1 58 58 VAL N N 15 117.8 0.1 . 1 . . . . . . . . 5589 1 689 . 1 1 59 59 GLU H H 1 7.19 0.02 . 1 . . . . . . . . 5589 1 690 . 1 1 59 59 GLU HA H 1 4.16 0.02 . 1 . . . . . . . . 5589 1 691 . 1 1 59 59 GLU HB2 H 1 2.16 0.02 . 1 . . . . . . . . 5589 1 692 . 1 1 59 59 GLU HB3 H 1 2.16 0.02 . 1 . . . . . . . . 5589 1 693 . 1 1 59 59 GLU HG2 H 1 2.41 0.02 . 2 . . . . . . . . 5589 1 694 . 1 1 59 59 GLU HG3 H 1 2.52 0.02 . 2 . . . . . . . . 5589 1 695 . 1 1 59 59 GLU C C 13 179.0 0.1 . 1 . . . . . . . . 5589 1 696 . 1 1 59 59 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . 5589 1 697 . 1 1 59 59 GLU CB C 13 29.3 0.1 . 1 . . . . . . . . 5589 1 698 . 1 1 59 59 GLU CG C 13 36.1 0.1 . 1 . . . . . . . . 5589 1 699 . 1 1 59 59 GLU N N 15 119.1 0.1 . 1 . . . . . . . . 5589 1 700 . 1 1 60 60 ALA H H 1 8.81 0.02 . 1 . . . . . . . . 5589 1 701 . 1 1 60 60 ALA HA H 1 4.16 0.02 . 1 . . . . . . . . 5589 1 702 . 1 1 60 60 ALA HB1 H 1 1.29 0.02 . 1 . . . . . . . . 5589 1 703 . 1 1 60 60 ALA HB2 H 1 1.29 0.02 . 1 . . . . . . . . 5589 1 704 . 1 1 60 60 ALA HB3 H 1 1.29 0.02 . 1 . . . . . . . . 5589 1 705 . 1 1 60 60 ALA C C 13 179.6 0.1 . 1 . . . . . . . . 5589 1 706 . 1 1 60 60 ALA CA C 13 55.5 0.1 . 1 . . . . . . . . 5589 1 707 . 1 1 60 60 ALA CB C 13 16.5 0.1 . 1 . . . . . . . . 5589 1 708 . 1 1 60 60 ALA N N 15 122.2 0.1 . 1 . . . . . . . . 5589 1 709 . 1 1 61 61 PHE H H 1 8.32 0.02 . 1 . . . . . . . . 5589 1 710 . 1 1 61 61 PHE HA H 1 5.26 0.02 . 1 . . . . . . . . 5589 1 711 . 1 1 61 61 PHE HB2 H 1 3.30 0.02 . 2 . . . . . . . . 5589 1 712 . 1 1 61 61 PHE HB3 H 1 3.39 0.02 . 2 . . . . . . . . 5589 1 713 . 1 1 61 61 PHE HD1 H 1 7.52 0.02 . 1 . . . . . . . . 5589 1 714 . 1 1 61 61 PHE HD2 H 1 7.52 0.02 . 1 . . . . . . . . 5589 1 715 . 1 1 61 61 PHE C C 13 180.7 0.1 . 1 . . . . . . . . 5589 1 716 . 1 1 61 61 PHE CA C 13 60.4 0.1 . 1 . . . . . . . . 5589 1 717 . 1 1 61 61 PHE CB C 13 39.2 0.1 . 1 . . . . . . . . 5589 1 718 . 1 1 61 61 PHE CD1 C 13 132.5 0.1 . 1 . . . . . . . . 5589 1 719 . 1 1 61 61 PHE CD2 C 13 132.5 0.1 . 1 . . . . . . . . 5589 1 720 . 1 1 61 61 PHE N N 15 120.6 0.1 . 1 . . . . . . . . 5589 1 721 . 1 1 62 62 LYS H H 1 8.13 0.02 . 1 . . . . . . . . 5589 1 722 . 1 1 62 62 LYS HA H 1 3.97 0.02 . 1 . . . . . . . . 5589 1 723 . 1 1 62 62 LYS HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5589 1 724 . 1 1 62 62 LYS HB3 H 1 2.13 0.02 . 2 . . . . . . . . 5589 1 725 . 1 1 62 62 LYS HG2 H 1 1.78 0.02 . 1 . . . . . . . . 5589 1 726 . 1 1 62 62 LYS HG3 H 1 1.78 0.02 . 1 . . . . . . . . 5589 1 727 . 1 1 62 62 LYS HD2 H 1 1.60 0.02 . 2 . . . . . . . . 5589 1 728 . 1 1 62 62 LYS HD3 H 1 1.89 0.02 . 2 . . . . . . . . 5589 1 729 . 1 1 62 62 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 5589 1 730 . 1 1 62 62 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 5589 1 731 . 1 1 62 62 LYS C C 13 178.3 0.1 . 1 . . . . . . . . 5589 1 732 . 1 1 62 62 LYS CA C 13 59.7 0.1 . 1 . . . . . . . . 5589 1 733 . 1 1 62 62 LYS CB C 13 32.4 0.1 . 1 . . . . . . . . 5589 1 734 . 1 1 62 62 LYS CG C 13 26.3 0.1 . 1 . . . . . . . . 5589 1 735 . 1 1 62 62 LYS CD C 13 29.9 0.1 . 1 . . . . . . . . 5589 1 736 . 1 1 62 62 LYS CE C 13 42.3 0.1 . 1 . . . . . . . . 5589 1 737 . 1 1 62 62 LYS N N 15 121.7 0.1 . 1 . . . . . . . . 5589 1 738 . 1 1 63 63 MET H H 1 7.75 0.02 . 1 . . . . . . . . 5589 1 739 . 1 1 63 63 MET HA H 1 4.41 0.02 . 1 . . . . . . . . 5589 1 740 . 1 1 63 63 MET HB2 H 1 2.39 0.02 . 2 . . . . . . . . 5589 1 741 . 1 1 63 63 MET HB3 H 1 2.56 0.02 . 2 . . . . . . . . 5589 1 742 . 1 1 63 63 MET HG2 H 1 2.75 0.02 . 2 . . . . . . . . 5589 1 743 . 1 1 63 63 MET HG3 H 1 3.01 0.02 . 2 . . . . . . . . 5589 1 744 . 1 1 63 63 MET HE1 H 1 2.17 0.02 . 1 . . . . . . . . 5589 1 745 . 1 1 63 63 MET HE2 H 1 2.17 0.02 . 1 . . . . . . . . 5589 1 746 . 1 1 63 63 MET HE3 H 1 2.17 0.02 . 1 . . . . . . . . 5589 1 747 . 1 1 63 63 MET C C 13 175.4 0.1 . 1 . . . . . . . . 5589 1 748 . 1 1 63 63 MET CA C 13 57.0 0.1 . 1 . . . . . . . . 5589 1 749 . 1 1 63 63 MET CB C 13 34.5 0.1 . 1 . . . . . . . . 5589 1 750 . 1 1 63 63 MET CG C 13 32.5 0.1 . 1 . . . . . . . . 5589 1 751 . 1 1 63 63 MET CE C 13 17.9 0.1 . 1 . . . . . . . . 5589 1 752 . 1 1 63 63 MET N N 15 115.8 0.1 . 1 . . . . . . . . 5589 1 753 . 1 1 64 64 GLY H H 1 7.81 0.02 . 1 . . . . . . . . 5589 1 754 . 1 1 64 64 GLY HA2 H 1 3.60 0.02 . 1 . . . . . . . . 5589 1 755 . 1 1 64 64 GLY HA3 H 1 4.17 0.02 . 1 . . . . . . . . 5589 1 756 . 1 1 64 64 GLY C C 13 174.5 0.1 . 1 . . . . . . . . 5589 1 757 . 1 1 64 64 GLY CA C 13 45.0 0.1 . 1 . . . . . . . . 5589 1 758 . 1 1 64 64 GLY N N 15 105.3 0.1 . 1 . . . . . . . . 5589 1 759 . 1 1 65 65 PHE H H 1 7.77 0.02 . 1 . . . . . . . . 5589 1 760 . 1 1 65 65 PHE HA H 1 4.57 0.02 . 1 . . . . . . . . 5589 1 761 . 1 1 65 65 PHE HB2 H 1 2.61 0.02 . 2 . . . . . . . . 5589 1 762 . 1 1 65 65 PHE HB3 H 1 2.90 0.02 . 2 . . . . . . . . 5589 1 763 . 1 1 65 65 PHE HD1 H 1 7.27 0.02 . 1 . . . . . . . . 5589 1 764 . 1 1 65 65 PHE HD2 H 1 7.27 0.02 . 1 . . . . . . . . 5589 1 765 . 1 1 65 65 PHE HE1 H 1 7.08 0.02 . 1 . . . . . . . . 5589 1 766 . 1 1 65 65 PHE HE2 H 1 7.08 0.02 . 1 . . . . . . . . 5589 1 767 . 1 1 65 65 PHE HZ H 1 7.00 0.02 . 1 . . . . . . . . 5589 1 768 . 1 1 65 65 PHE C C 13 175.6 0.1 . 1 . . . . . . . . 5589 1 769 . 1 1 65 65 PHE CA C 13 58.5 0.1 . 1 . . . . . . . . 5589 1 770 . 1 1 65 65 PHE CB C 13 39.6 0.1 . 1 . . . . . . . . 5589 1 771 . 1 1 65 65 PHE CD1 C 13 132.1 0.1 . 1 . . . . . . . . 5589 1 772 . 1 1 65 65 PHE CD2 C 13 132.1 0.1 . 1 . . . . . . . . 5589 1 773 . 1 1 65 65 PHE CE1 C 13 129.2 0.1 . 1 . . . . . . . . 5589 1 774 . 1 1 65 65 PHE CE2 C 13 129.2 0.1 . 1 . . . . . . . . 5589 1 775 . 1 1 65 65 PHE CZ C 13 131.1 0.1 . 1 . . . . . . . . 5589 1 776 . 1 1 65 65 PHE N N 15 118.5 0.1 . 1 . . . . . . . . 5589 1 777 . 1 1 66 66 GLU H H 1 9.18 0.02 . 1 . . . . . . . . 5589 1 778 . 1 1 66 66 GLU HA H 1 4.72 0.02 . 1 . . . . . . . . 5589 1 779 . 1 1 66 66 GLU HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5589 1 780 . 1 1 66 66 GLU HB3 H 1 2.13 0.02 . 2 . . . . . . . . 5589 1 781 . 1 1 66 66 GLU HG2 H 1 2.25 0.02 . 2 . . . . . . . . 5589 1 782 . 1 1 66 66 GLU HG3 H 1 2.34 0.02 . 2 . . . . . . . . 5589 1 783 . 1 1 66 66 GLU C C 13 176.4 0.1 . 1 . . . . . . . . 5589 1 784 . 1 1 66 66 GLU CA C 13 56.4 0.1 . 1 . . . . . . . . 5589 1 785 . 1 1 66 66 GLU CB C 13 30.0 0.1 . 1 . . . . . . . . 5589 1 786 . 1 1 66 66 GLU CG C 13 36.3 0.1 . 1 . . . . . . . . 5589 1 787 . 1 1 66 66 GLU N N 15 122.3 0.1 . 1 . . . . . . . . 5589 1 788 . 1 1 67 67 VAL H H 1 8.21 0.02 . 1 . . . . . . . . 5589 1 789 . 1 1 67 67 VAL HA H 1 5.13 0.02 . 1 . . . . . . . . 5589 1 790 . 1 1 67 67 VAL HB H 1 1.92 0.02 . 1 . . . . . . . . 5589 1 791 . 1 1 67 67 VAL HG11 H 1 0.87 0.02 . 2 . . . . . . . . 5589 1 792 . 1 1 67 67 VAL HG12 H 1 0.87 0.02 . 2 . . . . . . . . 5589 1 793 . 1 1 67 67 VAL HG13 H 1 0.87 0.02 . 2 . . . . . . . . 5589 1 794 . 1 1 67 67 VAL HG21 H 1 0.94 0.02 . 2 . . . . . . . . 5589 1 795 . 1 1 67 67 VAL HG22 H 1 0.94 0.02 . 2 . . . . . . . . 5589 1 796 . 1 1 67 67 VAL HG23 H 1 0.94 0.02 . 2 . . . . . . . . 5589 1 797 . 1 1 67 67 VAL C C 13 175.5 0.1 . 1 . . . . . . . . 5589 1 798 . 1 1 67 67 VAL CA C 13 61.8 0.1 . 1 . . . . . . . . 5589 1 799 . 1 1 67 67 VAL CB C 13 33.7 0.1 . 1 . . . . . . . . 5589 1 800 . 1 1 67 67 VAL CG1 C 13 21.9 0.1 . 2 . . . . . . . . 5589 1 801 . 1 1 67 67 VAL CG2 C 13 21.2 0.1 . 2 . . . . . . . . 5589 1 802 . 1 1 67 67 VAL N N 15 124.8 0.1 . 1 . . . . . . . . 5589 1 803 . 1 1 68 68 LEU H H 1 8.93 0.02 . 1 . . . . . . . . 5589 1 804 . 1 1 68 68 LEU HA H 1 4.73 0.02 . 1 . . . . . . . . 5589 1 805 . 1 1 68 68 LEU HB2 H 1 1.77 0.02 . 2 . . . . . . . . 5589 1 806 . 1 1 68 68 LEU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 5589 1 807 . 1 1 68 68 LEU HG H 1 1.74 0.02 . 1 . . . . . . . . 5589 1 808 . 1 1 68 68 LEU HD11 H 1 0.96 0.02 . 2 . . . . . . . . 5589 1 809 . 1 1 68 68 LEU HD12 H 1 0.96 0.02 . 2 . . . . . . . . 5589 1 810 . 1 1 68 68 LEU HD13 H 1 0.96 0.02 . 2 . . . . . . . . 5589 1 811 . 1 1 68 68 LEU HD21 H 1 1.02 0.02 . 2 . . . . . . . . 5589 1 812 . 1 1 68 68 LEU HD22 H 1 1.02 0.02 . 2 . . . . . . . . 5589 1 813 . 1 1 68 68 LEU HD23 H 1 1.02 0.02 . 2 . . . . . . . . 5589 1 814 . 1 1 68 68 LEU CA C 13 54.2 0.1 . 1 . . . . . . . . 5589 1 815 . 1 1 68 68 LEU CB C 13 43.9 0.1 . 1 . . . . . . . . 5589 1 816 . 1 1 68 68 LEU CG C 13 27.4 0.1 . 1 . . . . . . . . 5589 1 817 . 1 1 68 68 LEU CD1 C 13 23.7 0.1 . 2 . . . . . . . . 5589 1 818 . 1 1 68 68 LEU CD2 C 13 25.2 0.1 . 2 . . . . . . . . 5589 1 819 . 1 1 68 68 LEU N N 15 129.4 0.1 . 1 . . . . . . . . 5589 1 820 . 1 1 69 69 GLU H H 1 8.44 0.02 . 1 . . . . . . . . 5589 1 821 . 1 1 69 69 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . 5589 1 822 . 1 1 69 69 GLU HB2 H 1 2.06 0.02 . 1 . . . . . . . . 5589 1 823 . 1 1 69 69 GLU HB3 H 1 2.06 0.02 . 1 . . . . . . . . 5589 1 824 . 1 1 69 69 GLU HG2 H 1 2.42 0.02 . 1 . . . . . . . . 5589 1 825 . 1 1 69 69 GLU HG3 H 1 2.42 0.02 . 1 . . . . . . . . 5589 1 826 . 1 1 69 69 GLU C C 13 175.8 0.1 . 1 . . . . . . . . 5589 1 827 . 1 1 69 69 GLU CA C 13 57.5 0.1 . 1 . . . . . . . . 5589 1 828 . 1 1 69 69 GLU CB C 13 30.5 0.1 . 1 . . . . . . . . 5589 1 829 . 1 1 69 69 GLU CG C 13 36.5 0.1 . 1 . . . . . . . . 5589 1 830 . 1 1 69 69 GLU N N 15 121.3 0.1 . 1 . . . . . . . . 5589 1 831 . 1 1 70 70 ALA H H 1 8.32 0.02 . 1 . . . . . . . . 5589 1 832 . 1 1 70 70 ALA HA H 1 4.84 0.02 . 1 . . . . . . . . 5589 1 833 . 1 1 70 70 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 5589 1 834 . 1 1 70 70 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 5589 1 835 . 1 1 70 70 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 5589 1 836 . 1 1 70 70 ALA C C 13 176.8 0.1 . 1 . . . . . . . . 5589 1 837 . 1 1 70 70 ALA CA C 13 51.5 0.1 . 1 . . . . . . . . 5589 1 838 . 1 1 70 70 ALA CB C 13 21.1 0.1 . 1 . . . . . . . . 5589 1 839 . 1 1 70 70 ALA N N 15 127.3 0.1 . 1 . . . . . . . . 5589 1 840 . 1 1 71 71 GLU H H 1 8.63 0.02 . 1 . . . . . . . . 5589 1 841 . 1 1 71 71 GLU HA H 1 4.48 0.02 . 1 . . . . . . . . 5589 1 842 . 1 1 71 71 GLU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5589 1 843 . 1 1 71 71 GLU HB3 H 1 2.05 0.02 . 2 . . . . . . . . 5589 1 844 . 1 1 71 71 GLU HG2 H 1 2.33 0.02 . 1 . . . . . . . . 5589 1 845 . 1 1 71 71 GLU HG3 H 1 2.33 0.02 . 1 . . . . . . . . 5589 1 846 . 1 1 71 71 GLU C C 13 175.3 0.1 . 1 . . . . . . . . 5589 1 847 . 1 1 71 71 GLU CA C 13 55.9 0.1 . 1 . . . . . . . . 5589 1 848 . 1 1 71 71 GLU CB C 13 32.2 0.1 . 1 . . . . . . . . 5589 1 849 . 1 1 71 71 GLU CG C 13 36.3 0.1 . 1 . . . . . . . . 5589 1 850 . 1 1 71 71 GLU N N 15 120.3 0.1 . 1 . . . . . . . . 5589 1 851 . 1 1 72 72 GLU H H 1 8.59 0.02 . 1 . . . . . . . . 5589 1 852 . 1 1 72 72 GLU HA H 1 4.79 0.02 . 1 . . . . . . . . 5589 1 853 . 1 1 72 72 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5589 1 854 . 1 1 72 72 GLU HB3 H 1 2.09 0.02 . 2 . . . . . . . . 5589 1 855 . 1 1 72 72 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 5589 1 856 . 1 1 72 72 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 5589 1 857 . 1 1 72 72 GLU C C 13 176.0 0.1 . 1 . . . . . . . . 5589 1 858 . 1 1 72 72 GLU CA C 13 56.5 0.1 . 1 . . . . . . . . 5589 1 859 . 1 1 72 72 GLU CB C 13 31.4 0.1 . 1 . . . . . . . . 5589 1 860 . 1 1 72 72 GLU CG C 13 36.8 0.1 . 1 . . . . . . . . 5589 1 861 . 1 1 72 72 GLU N N 15 122.5 0.1 . 1 . . . . . . . . 5589 1 862 . 1 1 73 73 THR H H 1 8.85 0.02 . 1 . . . . . . . . 5589 1 863 . 1 1 73 73 THR HA H 1 4.73 0.02 . 1 . . . . . . . . 5589 1 864 . 1 1 73 73 THR HB H 1 4.08 0.02 . 1 . . . . . . . . 5589 1 865 . 1 1 73 73 THR HG21 H 1 1.03 0.02 . 1 . . . . . . . . 5589 1 866 . 1 1 73 73 THR HG22 H 1 1.03 0.02 . 1 . . . . . . . . 5589 1 867 . 1 1 73 73 THR HG23 H 1 1.03 0.02 . 1 . . . . . . . . 5589 1 868 . 1 1 73 73 THR C C 13 172.6 0.1 . 1 . . . . . . . . 5589 1 869 . 1 1 73 73 THR CA C 13 59.8 0.1 . 1 . . . . . . . . 5589 1 870 . 1 1 73 73 THR CB C 13 70.7 0.1 . 1 . . . . . . . . 5589 1 871 . 1 1 73 73 THR CG2 C 13 20.5 0.1 . 1 . . . . . . . . 5589 1 872 . 1 1 73 73 THR N N 15 118.3 0.1 . 1 . . . . . . . . 5589 1 873 . 1 1 74 74 GLU H H 1 8.37 0.02 . 1 . . . . . . . . 5589 1 874 . 1 1 74 74 GLU HA H 1 5.34 0.02 . 1 . . . . . . . . 5589 1 875 . 1 1 74 74 GLU HB2 H 1 1.80 0.02 . 2 . . . . . . . . 5589 1 876 . 1 1 74 74 GLU HB3 H 1 1.96 0.02 . 2 . . . . . . . . 5589 1 877 . 1 1 74 74 GLU HG2 H 1 2.09 0.02 . 2 . . . . . . . . 5589 1 878 . 1 1 74 74 GLU HG3 H 1 2.21 0.02 . 2 . . . . . . . . 5589 1 879 . 1 1 74 74 GLU C C 13 176.2 0.1 . 1 . . . . . . . . 5589 1 880 . 1 1 74 74 GLU CA C 13 54.6 0.1 . 1 . . . . . . . . 5589 1 881 . 1 1 74 74 GLU CB C 13 33.7 0.1 . 1 . . . . . . . . 5589 1 882 . 1 1 74 74 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 5589 1 883 . 1 1 74 74 GLU N N 15 121.5 0.1 . 1 . . . . . . . . 5589 1 884 . 1 1 75 75 ASP H H 1 8.44 0.02 . 1 . . . . . . . . 5589 1 885 . 1 1 75 75 ASP HA H 1 4.70 0.02 . 1 . . . . . . . . 5589 1 886 . 1 1 75 75 ASP HB2 H 1 2.63 0.02 . 2 . . . . . . . . 5589 1 887 . 1 1 75 75 ASP HB3 H 1 3.31 0.02 . 2 . . . . . . . . 5589 1 888 . 1 1 75 75 ASP C C 13 178.0 0.1 . 1 . . . . . . . . 5589 1 889 . 1 1 75 75 ASP CA C 13 52.3 0.1 . 1 . . . . . . . . 5589 1 890 . 1 1 75 75 ASP CB C 13 41.5 0.1 . 1 . . . . . . . . 5589 1 891 . 1 1 75 75 ASP N N 15 122.5 0.1 . 1 . . . . . . . . 5589 1 892 . 1 1 76 76 GLU H H 1 8.76 0.02 . 1 . . . . . . . . 5589 1 893 . 1 1 76 76 GLU HA H 1 4.10 0.02 . 1 . . . . . . . . 5589 1 894 . 1 1 76 76 GLU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5589 1 895 . 1 1 76 76 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . 5589 1 896 . 1 1 76 76 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 5589 1 897 . 1 1 76 76 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 5589 1 898 . 1 1 76 76 GLU C C 13 176.6 0.1 . 1 . . . . . . . . 5589 1 899 . 1 1 76 76 GLU CA C 13 58.9 0.1 . 1 . . . . . . . . 5589 1 900 . 1 1 76 76 GLU CB C 13 29.4 0.1 . 1 . . . . . . . . 5589 1 901 . 1 1 76 76 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 5589 1 902 . 1 1 76 76 GLU N N 15 117.4 0.1 . 1 . . . . . . . . 5589 1 903 . 1 1 77 77 ASP H H 1 7.98 0.02 . 1 . . . . . . . . 5589 1 904 . 1 1 77 77 ASP HA H 1 4.85 0.02 . 1 . . . . . . . . 5589 1 905 . 1 1 77 77 ASP HB2 H 1 2.54 0.02 . 1 . . . . . . . . 5589 1 906 . 1 1 77 77 ASP HB3 H 1 2.89 0.02 . 1 . . . . . . . . 5589 1 907 . 1 1 77 77 ASP C C 13 176.1 0.1 . 1 . . . . . . . . 5589 1 908 . 1 1 77 77 ASP CA C 13 54.2 0.1 . 1 . . . . . . . . 5589 1 909 . 1 1 77 77 ASP CB C 13 42.5 0.1 . 1 . . . . . . . . 5589 1 910 . 1 1 77 77 ASP N N 15 118.2 0.1 . 1 . . . . . . . . 5589 1 911 . 1 1 78 78 GLY H H 1 8.04 0.02 . 1 . . . . . . . . 5589 1 912 . 1 1 78 78 GLY HA2 H 1 3.75 0.02 . 2 . . . . . . . . 5589 1 913 . 1 1 78 78 GLY HA3 H 1 4.21 0.02 . 2 . . . . . . . . 5589 1 914 . 1 1 78 78 GLY C C 13 174.5 0.1 . 1 . . . . . . . . 5589 1 915 . 1 1 78 78 GLY CA C 13 45.4 0.1 . 1 . . . . . . . . 5589 1 916 . 1 1 78 78 GLY N N 15 108.3 0.1 . 1 . . . . . . . . 5589 1 917 . 1 1 79 79 ASN H H 1 8.68 0.02 . 1 . . . . . . . . 5589 1 918 . 1 1 79 79 ASN HA H 1 4.69 0.02 . 1 . . . . . . . . 5589 1 919 . 1 1 79 79 ASN HB2 H 1 2.66 0.02 . 2 . . . . . . . . 5589 1 920 . 1 1 79 79 ASN HB3 H 1 2.87 0.02 . 2 . . . . . . . . 5589 1 921 . 1 1 79 79 ASN C C 13 174.7 0.1 . 1 . . . . . . . . 5589 1 922 . 1 1 79 79 ASN CA C 13 53.4 0.1 . 1 . . . . . . . . 5589 1 923 . 1 1 79 79 ASN CB C 13 38.7 0.1 . 1 . . . . . . . . 5589 1 924 . 1 1 79 79 ASN N N 15 120.5 0.1 . 1 . . . . . . . . 5589 1 925 . 1 1 80 80 LYS H H 1 8.63 0.02 . 1 . . . . . . . . 5589 1 926 . 1 1 80 80 LYS HA H 1 4.66 0.02 . 1 . . . . . . . . 5589 1 927 . 1 1 80 80 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5589 1 928 . 1 1 80 80 LYS HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5589 1 929 . 1 1 80 80 LYS HG2 H 1 1.46 0.02 . 2 . . . . . . . . 5589 1 930 . 1 1 80 80 LYS HG3 H 1 1.57 0.02 . 2 . . . . . . . . 5589 1 931 . 1 1 80 80 LYS HD2 H 1 1.74 0.02 . 1 . . . . . . . . 5589 1 932 . 1 1 80 80 LYS HD3 H 1 1.74 0.02 . 1 . . . . . . . . 5589 1 933 . 1 1 80 80 LYS HE2 H 1 3.03 0.02 . 1 . . . . . . . . 5589 1 934 . 1 1 80 80 LYS HE3 H 1 3.03 0.02 . 1 . . . . . . . . 5589 1 935 . 1 1 80 80 LYS C C 13 175.8 0.1 . 1 . . . . . . . . 5589 1 936 . 1 1 80 80 LYS CA C 13 56.6 0.1 . 1 . . . . . . . . 5589 1 937 . 1 1 80 80 LYS CB C 13 33.1 0.1 . 1 . . . . . . . . 5589 1 938 . 1 1 80 80 LYS CG C 13 25.1 0.1 . 1 . . . . . . . . 5589 1 939 . 1 1 80 80 LYS CD C 13 29.1 0.1 . 1 . . . . . . . . 5589 1 940 . 1 1 80 80 LYS CE C 13 42.4 0.1 . 1 . . . . . . . . 5589 1 941 . 1 1 80 80 LYS N N 15 122.7 0.1 . 1 . . . . . . . . 5589 1 942 . 1 1 81 81 LEU H H 1 8.59 0.02 . 1 . . . . . . . . 5589 1 943 . 1 1 81 81 LEU HA H 1 4.72 0.02 . 1 . . . . . . . . 5589 1 944 . 1 1 81 81 LEU HB2 H 1 1.36 0.02 . 2 . . . . . . . . 5589 1 945 . 1 1 81 81 LEU HB3 H 1 1.44 0.02 . 2 . . . . . . . . 5589 1 946 . 1 1 81 81 LEU HG H 1 1.50 0.02 . 1 . . . . . . . . 5589 1 947 . 1 1 81 81 LEU HD11 H 1 0.57 0.02 . 2 . . . . . . . . 5589 1 948 . 1 1 81 81 LEU HD12 H 1 0.57 0.02 . 2 . . . . . . . . 5589 1 949 . 1 1 81 81 LEU HD13 H 1 0.57 0.02 . 2 . . . . . . . . 5589 1 950 . 1 1 81 81 LEU HD21 H 1 0.75 0.02 . 2 . . . . . . . . 5589 1 951 . 1 1 81 81 LEU HD22 H 1 0.75 0.02 . 2 . . . . . . . . 5589 1 952 . 1 1 81 81 LEU HD23 H 1 0.75 0.02 . 2 . . . . . . . . 5589 1 953 . 1 1 81 81 LEU C C 13 174.7 0.1 . 1 . . . . . . . . 5589 1 954 . 1 1 81 81 LEU CA C 13 54.1 0.1 . 1 . . . . . . . . 5589 1 955 . 1 1 81 81 LEU CB C 13 45.6 0.1 . 1 . . . . . . . . 5589 1 956 . 1 1 81 81 LEU CG C 13 27.0 0.1 . 1 . . . . . . . . 5589 1 957 . 1 1 81 81 LEU CD1 C 13 25.2 0.1 . 2 . . . . . . . . 5589 1 958 . 1 1 81 81 LEU CD2 C 13 24.0 0.1 . 2 . . . . . . . . 5589 1 959 . 1 1 81 81 LEU N N 15 125.2 0.1 . 1 . . . . . . . . 5589 1 960 . 1 1 82 82 LEU H H 1 8.62 0.02 . 1 . . . . . . . . 5589 1 961 . 1 1 82 82 LEU HA H 1 4.96 0.02 . 1 . . . . . . . . 5589 1 962 . 1 1 82 82 LEU HB2 H 1 1.49 0.02 . 2 . . . . . . . . 5589 1 963 . 1 1 82 82 LEU HB3 H 1 1.52 0.02 . 2 . . . . . . . . 5589 1 964 . 1 1 82 82 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 5589 1 965 . 1 1 82 82 LEU HD11 H 1 0.74 0.02 . 2 . . . . . . . . 5589 1 966 . 1 1 82 82 LEU HD12 H 1 0.74 0.02 . 2 . . . . . . . . 5589 1 967 . 1 1 82 82 LEU HD13 H 1 0.74 0.02 . 2 . . . . . . . . 5589 1 968 . 1 1 82 82 LEU HD21 H 1 0.87 0.02 . 2 . . . . . . . . 5589 1 969 . 1 1 82 82 LEU HD22 H 1 0.87 0.02 . 2 . . . . . . . . 5589 1 970 . 1 1 82 82 LEU HD23 H 1 0.87 0.02 . 2 . . . . . . . . 5589 1 971 . 1 1 82 82 LEU C C 13 175.8 0.1 . 1 . . . . . . . . 5589 1 972 . 1 1 82 82 LEU CA C 13 53.7 0.1 . 1 . . . . . . . . 5589 1 973 . 1 1 82 82 LEU CB C 13 44.0 0.1 . 1 . . . . . . . . 5589 1 974 . 1 1 82 82 LEU CG C 13 27.6 0.1 . 1 . . . . . . . . 5589 1 975 . 1 1 82 82 LEU CD1 C 13 25.0 0.1 . 2 . . . . . . . . 5589 1 976 . 1 1 82 82 LEU CD2 C 13 23.8 0.1 . 2 . . . . . . . . 5589 1 977 . 1 1 82 82 LEU N N 15 122.7 0.1 . 1 . . . . . . . . 5589 1 978 . 1 1 83 83 CYS H H 1 8.76 0.02 . 1 . . . . . . . . 5589 1 979 . 1 1 83 83 CYS HA H 1 5.41 0.02 . 1 . . . . . . . . 5589 1 980 . 1 1 83 83 CYS HB2 H 1 2.63 0.02 . 2 . . . . . . . . 5589 1 981 . 1 1 83 83 CYS HB3 H 1 2.75 0.02 . 2 . . . . . . . . 5589 1 982 . 1 1 83 83 CYS C C 13 174.2 0.1 . 1 . . . . . . . . 5589 1 983 . 1 1 83 83 CYS CA C 13 56.0 0.1 . 1 . . . . . . . . 5589 1 984 . 1 1 83 83 CYS CB C 13 31.7 0.1 . 1 . . . . . . . . 5589 1 985 . 1 1 83 83 CYS N N 15 118.2 0.1 . 1 . . . . . . . . 5589 1 986 . 1 1 84 84 PHE H H 1 8.77 0.02 . 1 . . . . . . . . 5589 1 987 . 1 1 84 84 PHE HA H 1 5.15 0.02 . 1 . . . . . . . . 5589 1 988 . 1 1 84 84 PHE HB2 H 1 2.89 0.02 . 2 . . . . . . . . 5589 1 989 . 1 1 84 84 PHE HB3 H 1 3.13 0.02 . 2 . . . . . . . . 5589 1 990 . 1 1 84 84 PHE HD1 H 1 7.04 0.02 . 1 . . . . . . . . 5589 1 991 . 1 1 84 84 PHE HD2 H 1 7.04 0.02 . 1 . . . . . . . . 5589 1 992 . 1 1 84 84 PHE HE1 H 1 6.91 0.02 . 1 . . . . . . . . 5589 1 993 . 1 1 84 84 PHE HE2 H 1 6.91 0.02 . 1 . . . . . . . . 5589 1 994 . 1 1 84 84 PHE HZ H 1 6.68 0.02 . 1 . . . . . . . . 5589 1 995 . 1 1 84 84 PHE C C 13 171.4 0.1 . 1 . . . . . . . . 5589 1 996 . 1 1 84 84 PHE CA C 13 56.5 0.1 . 1 . . . . . . . . 5589 1 997 . 1 1 84 84 PHE CB C 13 42.0 0.1 . 1 . . . . . . . . 5589 1 998 . 1 1 84 84 PHE CD1 C 13 132.7 0.1 . 1 . . . . . . . . 5589 1 999 . 1 1 84 84 PHE CD2 C 13 132.7 0.1 . 1 . . . . . . . . 5589 1 1000 . 1 1 84 84 PHE CE1 C 13 130.1 0.1 . 1 . . . . . . . . 5589 1 1001 . 1 1 84 84 PHE CE2 C 13 130.1 0.1 . 1 . . . . . . . . 5589 1 1002 . 1 1 84 84 PHE CZ C 13 127.9 0.1 . 1 . . . . . . . . 5589 1 1003 . 1 1 84 84 PHE N N 15 119.4 0.1 . 1 . . . . . . . . 5589 1 1004 . 1 1 85 85 ASP H H 1 8.42 0.02 . 1 . . . . . . . . 5589 1 1005 . 1 1 85 85 ASP HA H 1 6.02 0.02 . 1 . . . . . . . . 5589 1 1006 . 1 1 85 85 ASP HB2 H 1 2.46 0.02 . 2 . . . . . . . . 5589 1 1007 . 1 1 85 85 ASP HB3 H 1 2.66 0.02 . 2 . . . . . . . . 5589 1 1008 . 1 1 85 85 ASP C C 13 174.9 0.1 . 1 . . . . . . . . 5589 1 1009 . 1 1 85 85 ASP CA C 13 52.1 0.1 . 1 . . . . . . . . 5589 1 1010 . 1 1 85 85 ASP CB C 13 43.5 0.1 . 1 . . . . . . . . 5589 1 1011 . 1 1 85 85 ASP N N 15 120.1 0.1 . 1 . . . . . . . . 5589 1 1012 . 1 1 86 86 ALA H H 1 9.05 0.02 . 1 . . . . . . . . 5589 1 1013 . 1 1 86 86 ALA HA H 1 5.62 0.02 . 1 . . . . . . . . 5589 1 1014 . 1 1 86 86 ALA HB1 H 1 0.99 0.02 . 1 . . . . . . . . 5589 1 1015 . 1 1 86 86 ALA HB2 H 1 0.99 0.02 . 1 . . . . . . . . 5589 1 1016 . 1 1 86 86 ALA HB3 H 1 0.99 0.02 . 1 . . . . . . . . 5589 1 1017 . 1 1 86 86 ALA C C 13 176.7 0.1 . 1 . . . . . . . . 5589 1 1018 . 1 1 86 86 ALA CA C 13 49.8 0.1 . 1 . . . . . . . . 5589 1 1019 . 1 1 86 86 ALA CB C 13 20.8 0.1 . 1 . . . . . . . . 5589 1 1020 . 1 1 86 86 ALA N N 15 125.9 0.1 . 1 . . . . . . . . 5589 1 1021 . 1 1 87 87 THR H H 1 9.79 0.02 . 1 . . . . . . . . 5589 1 1022 . 1 1 87 87 THR HA H 1 6.36 0.02 . 1 . . . . . . . . 5589 1 1023 . 1 1 87 87 THR HB H 1 4.25 0.02 . 1 . . . . . . . . 5589 1 1024 . 1 1 87 87 THR HG21 H 1 1.24 0.02 . 1 . . . . . . . . 5589 1 1025 . 1 1 87 87 THR HG22 H 1 1.24 0.02 . 1 . . . . . . . . 5589 1 1026 . 1 1 87 87 THR HG23 H 1 1.24 0.02 . 1 . . . . . . . . 5589 1 1027 . 1 1 87 87 THR C C 13 174.6 0.1 . 1 . . . . . . . . 5589 1 1028 . 1 1 87 87 THR CA C 13 60.5 0.1 . 1 . . . . . . . . 5589 1 1029 . 1 1 87 87 THR CB C 13 71.6 0.1 . 1 . . . . . . . . 5589 1 1030 . 1 1 87 87 THR CG2 C 13 22.0 0.1 . 1 . . . . . . . . 5589 1 1031 . 1 1 87 87 THR N N 15 117.5 0.1 . 1 . . . . . . . . 5589 1 1032 . 1 1 88 88 MET H H 1 8.92 0.02 . 1 . . . . . . . . 5589 1 1033 . 1 1 88 88 MET HA H 1 4.66 0.02 . 1 . . . . . . . . 5589 1 1034 . 1 1 88 88 MET HB2 H 1 1.93 0.02 . 1 . . . . . . . . 5589 1 1035 . 1 1 88 88 MET HB3 H 1 1.93 0.02 . 1 . . . . . . . . 5589 1 1036 . 1 1 88 88 MET HG2 H 1 2.31 0.02 . 2 . . . . . . . . 5589 1 1037 . 1 1 88 88 MET HG3 H 1 2.40 0.02 . 2 . . . . . . . . 5589 1 1038 . 1 1 88 88 MET HE1 H 1 1.08 0.02 . 1 . . . . . . . . 5589 1 1039 . 1 1 88 88 MET HE2 H 1 1.08 0.02 . 1 . . . . . . . . 5589 1 1040 . 1 1 88 88 MET HE3 H 1 1.08 0.02 . 1 . . . . . . . . 5589 1 1041 . 1 1 88 88 MET C C 13 174.3 0.1 . 1 . . . . . . . . 5589 1 1042 . 1 1 88 88 MET CA C 13 55.6 0.1 . 1 . . . . . . . . 5589 1 1043 . 1 1 88 88 MET CB C 13 37.2 0.1 . 1 . . . . . . . . 5589 1 1044 . 1 1 88 88 MET CG C 13 32.5 0.1 . 1 . . . . . . . . 5589 1 1045 . 1 1 88 88 MET CE C 13 15.6 0.1 . 1 . . . . . . . . 5589 1 1046 . 1 1 88 88 MET N N 15 124.0 0.1 . 1 . . . . . . . . 5589 1 1047 . 1 1 89 89 GLN H H 1 8.71 0.02 . 1 . . . . . . . . 5589 1 1048 . 1 1 89 89 GLN HA H 1 5.37 0.02 . 1 . . . . . . . . 5589 1 1049 . 1 1 89 89 GLN HB2 H 1 1.92 0.02 . 2 . . . . . . . . 5589 1 1050 . 1 1 89 89 GLN HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5589 1 1051 . 1 1 89 89 GLN HG2 H 1 2.13 0.02 . 2 . . . . . . . . 5589 1 1052 . 1 1 89 89 GLN HG3 H 1 2.35 0.02 . 2 . . . . . . . . 5589 1 1053 . 1 1 89 89 GLN HE21 H 1 6.83 0.02 . 2 . . . . . . . . 5589 1 1054 . 1 1 89 89 GLN HE22 H 1 7.86 0.02 . 2 . . . . . . . . 5589 1 1055 . 1 1 89 89 GLN C C 13 176.4 0.1 . 1 . . . . . . . . 5589 1 1056 . 1 1 89 89 GLN CA C 13 55.4 0.1 . 1 . . . . . . . . 5589 1 1057 . 1 1 89 89 GLN CB C 13 29.9 0.1 . 1 . . . . . . . . 5589 1 1058 . 1 1 89 89 GLN CG C 13 34.9 0.1 . 1 . . . . . . . . 5589 1 1059 . 1 1 89 89 GLN N N 15 125.9 0.1 . 1 . . . . . . . . 5589 1 1060 . 1 1 89 89 GLN NE2 N 15 112.3 0.1 . 1 . . . . . . . . 5589 1 1061 . 1 1 90 90 SER H H 1 9.43 0.02 . 1 . . . . . . . . 5589 1 1062 . 1 1 90 90 SER HA H 1 4.61 0.02 . 1 . . . . . . . . 5589 1 1063 . 1 1 90 90 SER HB2 H 1 3.39 0.02 . 2 . . . . . . . . 5589 1 1064 . 1 1 90 90 SER HB3 H 1 3.57 0.02 . 2 . . . . . . . . 5589 1 1065 . 1 1 90 90 SER HG H 1 5.05 0.02 . 1 . . . . . . . . 5589 1 1066 . 1 1 90 90 SER C C 13 173.3 0.1 . 1 . . . . . . . . 5589 1 1067 . 1 1 90 90 SER CA C 13 58.3 0.1 . 1 . . . . . . . . 5589 1 1068 . 1 1 90 90 SER CB C 13 66.7 0.1 . 1 . . . . . . . . 5589 1 1069 . 1 1 90 90 SER N N 15 118.1 0.1 . 1 . . . . . . . . 5589 1 1070 . 1 1 91 91 ALA H H 1 8.16 0.02 . 1 . . . . . . . . 5589 1 1071 . 1 1 91 91 ALA HA H 1 4.80 0.02 . 1 . . . . . . . . 5589 1 1072 . 1 1 91 91 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 5589 1 1073 . 1 1 91 91 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 5589 1 1074 . 1 1 91 91 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 5589 1 1075 . 1 1 91 91 ALA C C 13 178.1 0.1 . 1 . . . . . . . . 5589 1 1076 . 1 1 91 91 ALA CA C 13 52.6 0.1 . 1 . . . . . . . . 5589 1 1077 . 1 1 91 91 ALA CB C 13 19.3 0.1 . 1 . . . . . . . . 5589 1 1078 . 1 1 91 91 ALA N N 15 126.0 0.1 . 1 . . . . . . . . 5589 1 1079 . 1 1 92 92 LEU H H 1 9.34 0.02 . 1 . . . . . . . . 5589 1 1080 . 1 1 92 92 LEU HA H 1 4.01 0.02 . 1 . . . . . . . . 5589 1 1081 . 1 1 92 92 LEU HB2 H 1 1.15 0.02 . 2 . . . . . . . . 5589 1 1082 . 1 1 92 92 LEU HB3 H 1 1.79 0.02 . 2 . . . . . . . . 5589 1 1083 . 1 1 92 92 LEU HG H 1 1.25 0.02 . 1 . . . . . . . . 5589 1 1084 . 1 1 92 92 LEU HD11 H 1 0.21 0.02 . 2 . . . . . . . . 5589 1 1085 . 1 1 92 92 LEU HD12 H 1 0.21 0.02 . 2 . . . . . . . . 5589 1 1086 . 1 1 92 92 LEU HD13 H 1 0.21 0.02 . 2 . . . . . . . . 5589 1 1087 . 1 1 92 92 LEU HD21 H 1 0.53 0.02 . 2 . . . . . . . . 5589 1 1088 . 1 1 92 92 LEU HD22 H 1 0.53 0.02 . 2 . . . . . . . . 5589 1 1089 . 1 1 92 92 LEU HD23 H 1 0.53 0.02 . 2 . . . . . . . . 5589 1 1090 . 1 1 92 92 LEU C C 13 173.9 0.1 . 1 . . . . . . . . 5589 1 1091 . 1 1 92 92 LEU CA C 13 53.5 0.1 . 1 . . . . . . . . 5589 1 1092 . 1 1 92 92 LEU CB C 13 39.5 0.1 . 1 . . . . . . . . 5589 1 1093 . 1 1 92 92 LEU CG C 13 26.8 0.1 . 1 . . . . . . . . 5589 1 1094 . 1 1 92 92 LEU CD1 C 13 22.7 0.1 . 2 . . . . . . . . 5589 1 1095 . 1 1 92 92 LEU CD2 C 13 24.8 0.1 . 2 . . . . . . . . 5589 1 1096 . 1 1 92 92 LEU N N 15 124.7 0.1 . 1 . . . . . . . . 5589 1 1097 . 1 1 93 93 ASP H H 1 7.31 0.02 . 1 . . . . . . . . 5589 1 1098 . 1 1 93 93 ASP HA H 1 4.78 0.02 . 1 . . . . . . . . 5589 1 1099 . 1 1 93 93 ASP HB2 H 1 2.45 0.02 . 2 . . . . . . . . 5589 1 1100 . 1 1 93 93 ASP HB3 H 1 2.53 0.02 . 2 . . . . . . . . 5589 1 1101 . 1 1 93 93 ASP C C 13 176.1 0.1 . 1 . . . . . . . . 5589 1 1102 . 1 1 93 93 ASP CA C 13 52.5 0.1 . 1 . . . . . . . . 5589 1 1103 . 1 1 93 93 ASP CB C 13 44.1 0.1 . 1 . . . . . . . . 5589 1 1104 . 1 1 93 93 ASP N N 15 124.7 0.1 . 1 . . . . . . . . 5589 1 1105 . 1 1 94 94 ALA H H 1 9.31 0.02 . 1 . . . . . . . . 5589 1 1106 . 1 1 94 94 ALA HA H 1 3.63 0.02 . 1 . . . . . . . . 5589 1 1107 . 1 1 94 94 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 5589 1 1108 . 1 1 94 94 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 5589 1 1109 . 1 1 94 94 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 5589 1 1110 . 1 1 94 94 ALA C C 13 177.3 0.1 . 1 . . . . . . . . 5589 1 1111 . 1 1 94 94 ALA CA C 13 56.2 0.1 . 1 . . . . . . . . 5589 1 1112 . 1 1 94 94 ALA CB C 13 18.3 0.1 . 1 . . . . . . . . 5589 1 1113 . 1 1 94 94 ALA N N 15 129.3 0.1 . 1 . . . . . . . . 5589 1 1114 . 1 1 95 95 LYS H H 1 8.05 0.02 . 1 . . . . . . . . 5589 1 1115 . 1 1 95 95 LYS HA H 1 4.13 0.02 . 1 . . . . . . . . 5589 1 1116 . 1 1 95 95 LYS HB2 H 1 1.89 0.02 . 1 . . . . . . . . 5589 1 1117 . 1 1 95 95 LYS HB3 H 1 1.89 0.02 . 1 . . . . . . . . 5589 1 1118 . 1 1 95 95 LYS HG2 H 1 1.43 0.02 . 2 . . . . . . . . 5589 1 1119 . 1 1 95 95 LYS HG3 H 1 1.57 0.02 . 2 . . . . . . . . 5589 1 1120 . 1 1 95 95 LYS HD2 H 1 1.76 0.02 . 1 . . . . . . . . 5589 1 1121 . 1 1 95 95 LYS HD3 H 1 1.76 0.02 . 1 . . . . . . . . 5589 1 1122 . 1 1 95 95 LYS HE2 H 1 3.04 0.02 . 1 . . . . . . . . 5589 1 1123 . 1 1 95 95 LYS HE3 H 1 3.04 0.02 . 1 . . . . . . . . 5589 1 1124 . 1 1 95 95 LYS C C 13 179.9 0.1 . 1 . . . . . . . . 5589 1 1125 . 1 1 95 95 LYS CA C 13 59.6 0.1 . 1 . . . . . . . . 5589 1 1126 . 1 1 95 95 LYS CB C 13 31.9 0.1 . 1 . . . . . . . . 5589 1 1127 . 1 1 95 95 LYS CG C 13 25.4 0.1 . 1 . . . . . . . . 5589 1 1128 . 1 1 95 95 LYS CD C 13 29.4 0.1 . 1 . . . . . . . . 5589 1 1129 . 1 1 95 95 LYS CE C 13 42.1 0.1 . 1 . . . . . . . . 5589 1 1130 . 1 1 95 95 LYS N N 15 114.4 0.1 . 1 . . . . . . . . 5589 1 1131 . 1 1 96 96 LEU H H 1 7.41 0.02 . 1 . . . . . . . . 5589 1 1132 . 1 1 96 96 LEU HA H 1 4.21 0.02 . 1 . . . . . . . . 5589 1 1133 . 1 1 96 96 LEU HB2 H 1 1.61 0.02 . 2 . . . . . . . . 5589 1 1134 . 1 1 96 96 LEU HB3 H 1 1.89 0.02 . 2 . . . . . . . . 5589 1 1135 . 1 1 96 96 LEU HG H 1 1.68 0.02 . 1 . . . . . . . . 5589 1 1136 . 1 1 96 96 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 5589 1 1137 . 1 1 96 96 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 5589 1 1138 . 1 1 96 96 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 5589 1 1139 . 1 1 96 96 LEU HD21 H 1 1.02 0.02 . 2 . . . . . . . . 5589 1 1140 . 1 1 96 96 LEU HD22 H 1 1.02 0.02 . 2 . . . . . . . . 5589 1 1141 . 1 1 96 96 LEU HD23 H 1 1.02 0.02 . 2 . . . . . . . . 5589 1 1142 . 1 1 96 96 LEU C C 13 180.5 0.1 . 1 . . . . . . . . 5589 1 1143 . 1 1 96 96 LEU CA C 13 57.2 0.1 . 1 . . . . . . . . 5589 1 1144 . 1 1 96 96 LEU CB C 13 41.5 0.1 . 1 . . . . . . . . 5589 1 1145 . 1 1 96 96 LEU CG C 13 27.0 0.1 . 1 . . . . . . . . 5589 1 1146 . 1 1 96 96 LEU CD1 C 13 22.5 0.1 . 2 . . . . . . . . 5589 1 1147 . 1 1 96 96 LEU CD2 C 13 26.3 0.1 . 2 . . . . . . . . 5589 1 1148 . 1 1 96 96 LEU N N 15 118.3 0.1 . 1 . . . . . . . . 5589 1 1149 . 1 1 97 97 ILE H H 1 8.06 0.02 . 1 . . . . . . . . 5589 1 1150 . 1 1 97 97 ILE HA H 1 3.40 0.02 . 1 . . . . . . . . 5589 1 1151 . 1 1 97 97 ILE HB H 1 1.46 0.02 . 1 . . . . . . . . 5589 1 1152 . 1 1 97 97 ILE HG12 H 1 0.54 0.02 . 2 . . . . . . . . 5589 1 1153 . 1 1 97 97 ILE HG13 H 1 1.51 0.02 . 2 . . . . . . . . 5589 1 1154 . 1 1 97 97 ILE HG21 H 1 0.21 0.02 . 1 . . . . . . . . 5589 1 1155 . 1 1 97 97 ILE HG22 H 1 0.21 0.02 . 1 . . . . . . . . 5589 1 1156 . 1 1 97 97 ILE HG23 H 1 0.21 0.02 . 1 . . . . . . . . 5589 1 1157 . 1 1 97 97 ILE HD11 H 1 0.31 0.02 . 1 . . . . . . . . 5589 1 1158 . 1 1 97 97 ILE HD12 H 1 0.31 0.02 . 1 . . . . . . . . 5589 1 1159 . 1 1 97 97 ILE HD13 H 1 0.31 0.02 . 1 . . . . . . . . 5589 1 1160 . 1 1 97 97 ILE C C 13 178.0 0.1 . 1 . . . . . . . . 5589 1 1161 . 1 1 97 97 ILE CA C 13 66.0 0.1 . 1 . . . . . . . . 5589 1 1162 . 1 1 97 97 ILE CB C 13 37.8 0.1 . 1 . . . . . . . . 5589 1 1163 . 1 1 97 97 ILE CG1 C 13 29.8 0.1 . 1 . . . . . . . . 5589 1 1164 . 1 1 97 97 ILE CG2 C 13 17.2 0.1 . 1 . . . . . . . . 5589 1 1165 . 1 1 97 97 ILE CD1 C 13 13.5 0.1 . 1 . . . . . . . . 5589 1 1166 . 1 1 97 97 ILE N N 15 122.5 0.1 . 1 . . . . . . . . 5589 1 1167 . 1 1 98 98 ASP H H 1 9.37 0.02 . 1 . . . . . . . . 5589 1 1168 . 1 1 98 98 ASP HA H 1 4.45 0.02 . 1 . . . . . . . . 5589 1 1169 . 1 1 98 98 ASP HB2 H 1 2.70 0.02 . 2 . . . . . . . . 5589 1 1170 . 1 1 98 98 ASP HB3 H 1 3.04 0.02 . 2 . . . . . . . . 5589 1 1171 . 1 1 98 98 ASP C C 13 179.7 0.1 . 1 . . . . . . . . 5589 1 1172 . 1 1 98 98 ASP CA C 13 57.3 0.1 . 1 . . . . . . . . 5589 1 1173 . 1 1 98 98 ASP CB C 13 40.5 0.1 . 1 . . . . . . . . 5589 1 1174 . 1 1 98 98 ASP N N 15 121.4 0.1 . 1 . . . . . . . . 5589 1 1175 . 1 1 99 99 GLU H H 1 7.23 0.02 . 1 . . . . . . . . 5589 1 1176 . 1 1 99 99 GLU HA H 1 4.15 0.02 . 1 . . . . . . . . 5589 1 1177 . 1 1 99 99 GLU HB2 H 1 2.27 0.02 . 1 . . . . . . . . 5589 1 1178 . 1 1 99 99 GLU HB3 H 1 2.27 0.02 . 1 . . . . . . . . 5589 1 1179 . 1 1 99 99 GLU HG2 H 1 2.14 0.02 . 2 . . . . . . . . 5589 1 1180 . 1 1 99 99 GLU HG3 H 1 2.68 0.02 . 2 . . . . . . . . 5589 1 1181 . 1 1 99 99 GLU C C 13 179.0 0.1 . 1 . . . . . . . . 5589 1 1182 . 1 1 99 99 GLU CA C 13 59.6 0.1 . 1 . . . . . . . . 5589 1 1183 . 1 1 99 99 GLU CB C 13 29.8 0.1 . 1 . . . . . . . . 5589 1 1184 . 1 1 99 99 GLU CG C 13 36.5 0.1 . 1 . . . . . . . . 5589 1 1185 . 1 1 99 99 GLU N N 15 118.1 0.1 . 1 . . . . . . . . 5589 1 1186 . 1 1 100 100 GLN H H 1 7.39 0.02 . 1 . . . . . . . . 5589 1 1187 . 1 1 100 100 GLN HA H 1 4.02 0.02 . 1 . . . . . . . . 5589 1 1188 . 1 1 100 100 GLN HB2 H 1 2.20 0.02 . 1 . . . . . . . . 5589 1 1189 . 1 1 100 100 GLN HB3 H 1 2.20 0.02 . 1 . . . . . . . . 5589 1 1190 . 1 1 100 100 GLN C C 13 177.8 0.1 . 1 . . . . . . . . 5589 1 1191 . 1 1 100 100 GLN CA C 13 60.0 0.1 . 1 . . . . . . . . 5589 1 1192 . 1 1 100 100 GLN CB C 13 29.4 0.1 . 1 . . . . . . . . 5589 1 1193 . 1 1 100 100 GLN N N 15 118.9 0.1 . 1 . . . . . . . . 5589 1 1194 . 1 1 101 101 VAL H H 1 8.49 0.02 . 1 . . . . . . . . 5589 1 1195 . 1 1 101 101 VAL HA H 1 3.11 0.02 . 1 . . . . . . . . 5589 1 1196 . 1 1 101 101 VAL HB H 1 2.17 0.02 . 1 . . . . . . . . 5589 1 1197 . 1 1 101 101 VAL HG11 H 1 0.85 0.02 . 1 . . . . . . . . 5589 1 1198 . 1 1 101 101 VAL HG12 H 1 0.85 0.02 . 1 . . . . . . . . 5589 1 1199 . 1 1 101 101 VAL HG13 H 1 0.85 0.02 . 1 . . . . . . . . 5589 1 1200 . 1 1 101 101 VAL HG21 H 1 1.43 0.02 . 1 . . . . . . . . 5589 1 1201 . 1 1 101 101 VAL HG22 H 1 1.43 0.02 . 1 . . . . . . . . 5589 1 1202 . 1 1 101 101 VAL HG23 H 1 1.43 0.02 . 1 . . . . . . . . 5589 1 1203 . 1 1 101 101 VAL C C 13 177.6 0.1 . 1 . . . . . . . . 5589 1 1204 . 1 1 101 101 VAL CA C 13 66.8 0.1 . 1 . . . . . . . . 5589 1 1205 . 1 1 101 101 VAL CB C 13 32.3 0.1 . 1 . . . . . . . . 5589 1 1206 . 1 1 101 101 VAL CG1 C 13 22.3 0.1 . 1 . . . . . . . . 5589 1 1207 . 1 1 101 101 VAL CG2 C 13 22.6 0.1 . 1 . . . . . . . . 5589 1 1208 . 1 1 101 101 VAL N N 15 117.8 0.1 . 1 . . . . . . . . 5589 1 1209 . 1 1 102 102 GLU H H 1 8.30 0.02 . 1 . . . . . . . . 5589 1 1210 . 1 1 102 102 GLU HA H 1 3.63 0.02 . 1 . . . . . . . . 5589 1 1211 . 1 1 102 102 GLU HB2 H 1 2.13 0.02 . 1 . . . . . . . . 5589 1 1212 . 1 1 102 102 GLU HB3 H 1 2.13 0.02 . 1 . . . . . . . . 5589 1 1213 . 1 1 102 102 GLU HG2 H 1 2.18 0.02 . 2 . . . . . . . . 5589 1 1214 . 1 1 102 102 GLU HG3 H 1 2.24 0.02 . 2 . . . . . . . . 5589 1 1215 . 1 1 102 102 GLU C C 13 179.0 0.1 . 1 . . . . . . . . 5589 1 1216 . 1 1 102 102 GLU CA C 13 60.5 0.1 . 1 . . . . . . . . 5589 1 1217 . 1 1 102 102 GLU CB C 13 29.4 0.1 . 1 . . . . . . . . 5589 1 1218 . 1 1 102 102 GLU CG C 13 36.5 0.1 . 1 . . . . . . . . 5589 1 1219 . 1 1 102 102 GLU N N 15 117.9 0.1 . 1 . . . . . . . . 5589 1 1220 . 1 1 103 103 LYS H H 1 7.40 0.02 . 1 . . . . . . . . 5589 1 1221 . 1 1 103 103 LYS HA H 1 4.09 0.02 . 1 . . . . . . . . 5589 1 1222 . 1 1 103 103 LYS HB2 H 1 2.09 0.02 . 1 . . . . . . . . 5589 1 1223 . 1 1 103 103 LYS HB3 H 1 2.09 0.02 . 1 . . . . . . . . 5589 1 1224 . 1 1 103 103 LYS HG2 H 1 1.64 0.02 . 2 . . . . . . . . 5589 1 1225 . 1 1 103 103 LYS HG3 H 1 1.93 0.02 . 2 . . . . . . . . 5589 1 1226 . 1 1 103 103 LYS HD2 H 1 1.68 0.02 . 2 . . . . . . . . 5589 1 1227 . 1 1 103 103 LYS HD3 H 1 1.74 0.02 . 2 . . . . . . . . 5589 1 1228 . 1 1 103 103 LYS HE2 H 1 3.04 0.02 . 1 . . . . . . . . 5589 1 1229 . 1 1 103 103 LYS HE3 H 1 3.04 0.02 . 1 . . . . . . . . 5589 1 1230 . 1 1 103 103 LYS C C 13 179.7 0.1 . 1 . . . . . . . . 5589 1 1231 . 1 1 103 103 LYS CA C 13 60.0 0.1 . 1 . . . . . . . . 5589 1 1232 . 1 1 103 103 LYS CB C 13 33.0 0.1 . 1 . . . . . . . . 5589 1 1233 . 1 1 103 103 LYS CG C 13 26.4 0.1 . 1 . . . . . . . . 5589 1 1234 . 1 1 103 103 LYS CD C 13 29.8 0.1 . 1 . . . . . . . . 5589 1 1235 . 1 1 103 103 LYS CE C 13 42.6 0.1 . 1 . . . . . . . . 5589 1 1236 . 1 1 103 103 LYS N N 15 116.7 0.1 . 1 . . . . . . . . 5589 1 1237 . 1 1 104 104 LEU H H 1 7.59 0.02 . 1 . . . . . . . . 5589 1 1238 . 1 1 104 104 LEU HA H 1 4.08 0.02 . 1 . . . . . . . . 5589 1 1239 . 1 1 104 104 LEU HB2 H 1 1.03 0.02 . 2 . . . . . . . . 5589 1 1240 . 1 1 104 104 LEU HB3 H 1 1.46 0.02 . 2 . . . . . . . . 5589 1 1241 . 1 1 104 104 LEU HG H 1 1.15 0.02 . 1 . . . . . . . . 5589 1 1242 . 1 1 104 104 LEU HD11 H 1 -0.25 0.02 . 1 . . . . . . . . 5589 1 1243 . 1 1 104 104 LEU HD12 H 1 -0.25 0.02 . 1 . . . . . . . . 5589 1 1244 . 1 1 104 104 LEU HD13 H 1 -0.25 0.02 . 1 . . . . . . . . 5589 1 1245 . 1 1 104 104 LEU HD21 H 1 0.00 0.02 . 1 . . . . . . . . 5589 1 1246 . 1 1 104 104 LEU HD22 H 1 0.00 0.02 . 1 . . . . . . . . 5589 1 1247 . 1 1 104 104 LEU HD23 H 1 0.00 0.02 . 1 . . . . . . . . 5589 1 1248 . 1 1 104 104 LEU C C 13 179.5 0.1 . 1 . . . . . . . . 5589 1 1249 . 1 1 104 104 LEU CA C 13 57.3 0.1 . 1 . . . . . . . . 5589 1 1250 . 1 1 104 104 LEU CB C 13 42.4 0.1 . 1 . . . . . . . . 5589 1 1251 . 1 1 104 104 LEU CG C 13 26.4 0.1 . 1 . . . . . . . . 5589 1 1252 . 1 1 104 104 LEU CD1 C 13 26.2 0.1 . 1 . . . . . . . . 5589 1 1253 . 1 1 104 104 LEU CD2 C 13 21.5 0.1 . 1 . . . . . . . . 5589 1 1254 . 1 1 104 104 LEU N N 15 119.9 0.1 . 1 . . . . . . . . 5589 1 1255 . 1 1 105 105 VAL H H 1 9.22 0.02 . 1 . . . . . . . . 5589 1 1256 . 1 1 105 105 VAL HA H 1 3.53 0.02 . 1 . . . . . . . . 5589 1 1257 . 1 1 105 105 VAL HB H 1 1.87 0.02 . 1 . . . . . . . . 5589 1 1258 . 1 1 105 105 VAL HG11 H 1 0.58 0.02 . 2 . . . . . . . . 5589 1 1259 . 1 1 105 105 VAL HG12 H 1 0.58 0.02 . 2 . . . . . . . . 5589 1 1260 . 1 1 105 105 VAL HG13 H 1 0.58 0.02 . 2 . . . . . . . . 5589 1 1261 . 1 1 105 105 VAL HG21 H 1 0.98 0.02 . 2 . . . . . . . . 5589 1 1262 . 1 1 105 105 VAL HG22 H 1 0.98 0.02 . 2 . . . . . . . . 5589 1 1263 . 1 1 105 105 VAL HG23 H 1 0.98 0.02 . 2 . . . . . . . . 5589 1 1264 . 1 1 105 105 VAL C C 13 178.9 0.1 . 1 . . . . . . . . 5589 1 1265 . 1 1 105 105 VAL CA C 13 67.0 0.1 . 1 . . . . . . . . 5589 1 1266 . 1 1 105 105 VAL CB C 13 31.5 0.1 . 1 . . . . . . . . 5589 1 1267 . 1 1 105 105 VAL CG1 C 13 24.3 0.1 . 1 . . . . . . . . 5589 1 1268 . 1 1 105 105 VAL CG2 C 13 22.6 0.1 . 1 . . . . . . . . 5589 1 1269 . 1 1 105 105 VAL N N 15 122.3 0.1 . 1 . . . . . . . . 5589 1 1270 . 1 1 106 106 ASN H H 1 7.74 0.02 . 1 . . . . . . . . 5589 1 1271 . 1 1 106 106 ASN HA H 1 4.45 0.02 . 1 . . . . . . . . 5589 1 1272 . 1 1 106 106 ASN HB2 H 1 2.67 0.02 . 2 . . . . . . . . 5589 1 1273 . 1 1 106 106 ASN HB3 H 1 2.95 0.02 . 2 . . . . . . . . 5589 1 1274 . 1 1 106 106 ASN HD21 H 1 7.19 0.02 . 2 . . . . . . . . 5589 1 1275 . 1 1 106 106 ASN HD22 H 1 7.62 0.02 . 2 . . . . . . . . 5589 1 1276 . 1 1 106 106 ASN C C 13 177.9 0.1 . 1 . . . . . . . . 5589 1 1277 . 1 1 106 106 ASN CA C 13 57.2 0.1 . 1 . . . . . . . . 5589 1 1278 . 1 1 106 106 ASN CB C 13 39.1 0.1 . 1 . . . . . . . . 5589 1 1279 . 1 1 106 106 ASN N N 15 118.3 0.1 . 1 . . . . . . . . 5589 1 1280 . 1 1 106 106 ASN ND2 N 15 112.6 0.1 . 1 . . . . . . . . 5589 1 1281 . 1 1 107 107 LEU H H 1 7.83 0.02 . 1 . . . . . . . . 5589 1 1282 . 1 1 107 107 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 5589 1 1283 . 1 1 107 107 LEU HB2 H 1 1.78 0.02 . 2 . . . . . . . . 5589 1 1284 . 1 1 107 107 LEU HB3 H 1 2.12 0.02 . 2 . . . . . . . . 5589 1 1285 . 1 1 107 107 LEU HG H 1 1.78 0.02 . 1 . . . . . . . . 5589 1 1286 . 1 1 107 107 LEU HD11 H 1 1.13 0.02 . 1 . . . . . . . . 5589 1 1287 . 1 1 107 107 LEU HD12 H 1 1.13 0.02 . 1 . . . . . . . . 5589 1 1288 . 1 1 107 107 LEU HD13 H 1 1.13 0.02 . 1 . . . . . . . . 5589 1 1289 . 1 1 107 107 LEU HD21 H 1 0.95 0.02 . 1 . . . . . . . . 5589 1 1290 . 1 1 107 107 LEU HD22 H 1 0.95 0.02 . 1 . . . . . . . . 5589 1 1291 . 1 1 107 107 LEU HD23 H 1 0.95 0.02 . 1 . . . . . . . . 5589 1 1292 . 1 1 107 107 LEU C C 13 177.7 0.1 . 1 . . . . . . . . 5589 1 1293 . 1 1 107 107 LEU CA C 13 58.5 0.1 . 1 . . . . . . . . 5589 1 1294 . 1 1 107 107 LEU CB C 13 42.8 0.1 . 1 . . . . . . . . 5589 1 1295 . 1 1 107 107 LEU CG C 13 27.4 0.1 . 1 . . . . . . . . 5589 1 1296 . 1 1 107 107 LEU CD1 C 13 26.4 0.1 . 1 . . . . . . . . 5589 1 1297 . 1 1 107 107 LEU CD2 C 13 25.9 0.1 . 1 . . . . . . . . 5589 1 1298 . 1 1 107 107 LEU N N 15 122.8 0.1 . 1 . . . . . . . . 5589 1 1299 . 1 1 108 108 ALA H H 1 8.63 0.02 . 1 . . . . . . . . 5589 1 1300 . 1 1 108 108 ALA HA H 1 4.01 0.02 . 1 . . . . . . . . 5589 1 1301 . 1 1 108 108 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 5589 1 1302 . 1 1 108 108 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 5589 1 1303 . 1 1 108 108 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 5589 1 1304 . 1 1 108 108 ALA C C 13 179.5 0.1 . 1 . . . . . . . . 5589 1 1305 . 1 1 108 108 ALA CA C 13 55.1 0.1 . 1 . . . . . . . . 5589 1 1306 . 1 1 108 108 ALA CB C 13 17.8 0.1 . 1 . . . . . . . . 5589 1 1307 . 1 1 108 108 ALA N N 15 122.1 0.1 . 1 . . . . . . . . 5589 1 1308 . 1 1 109 109 GLU H H 1 7.93 0.02 . 1 . . . . . . . . 5589 1 1309 . 1 1 109 109 GLU HA H 1 4.27 0.02 . 1 . . . . . . . . 5589 1 1310 . 1 1 109 109 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 5589 1 1311 . 1 1 109 109 GLU HB3 H 1 2.20 0.02 . 2 . . . . . . . . 5589 1 1312 . 1 1 109 109 GLU HG2 H 1 2.36 0.02 . 1 . . . . . . . . 5589 1 1313 . 1 1 109 109 GLU HG3 H 1 2.36 0.02 . 1 . . . . . . . . 5589 1 1314 . 1 1 109 109 GLU C C 13 179.0 0.1 . 1 . . . . . . . . 5589 1 1315 . 1 1 109 109 GLU CA C 13 58.8 0.1 . 1 . . . . . . . . 5589 1 1316 . 1 1 109 109 GLU CB C 13 29.5 0.1 . 1 . . . . . . . . 5589 1 1317 . 1 1 109 109 GLU CG C 13 35.8 0.1 . 1 . . . . . . . . 5589 1 1318 . 1 1 109 109 GLU N N 15 117.5 0.1 . 1 . . . . . . . . 5589 1 1319 . 1 1 110 110 LYS H H 1 7.88 0.02 . 1 . . . . . . . . 5589 1 1320 . 1 1 110 110 LYS HA H 1 3.92 0.02 . 1 . . . . . . . . 5589 1 1321 . 1 1 110 110 LYS HB2 H 1 1.81 0.02 . 1 . . . . . . . . 5589 1 1322 . 1 1 110 110 LYS HB3 H 1 1.81 0.02 . 1 . . . . . . . . 5589 1 1323 . 1 1 110 110 LYS HG2 H 1 0.53 0.02 . 2 . . . . . . . . 5589 1 1324 . 1 1 110 110 LYS HG3 H 1 1.13 0.02 . 2 . . . . . . . . 5589 1 1325 . 1 1 110 110 LYS HD2 H 1 1.51 0.02 . 1 . . . . . . . . 5589 1 1326 . 1 1 110 110 LYS HD3 H 1 1.51 0.02 . 1 . . . . . . . . 5589 1 1327 . 1 1 110 110 LYS HE2 H 1 2.79 0.02 . 1 . . . . . . . . 5589 1 1328 . 1 1 110 110 LYS HE3 H 1 2.79 0.02 . 1 . . . . . . . . 5589 1 1329 . 1 1 110 110 LYS C C 13 178.2 0.1 . 1 . . . . . . . . 5589 1 1330 . 1 1 110 110 LYS CA C 13 59.2 0.1 . 1 . . . . . . . . 5589 1 1331 . 1 1 110 110 LYS CB C 13 32.7 0.1 . 1 . . . . . . . . 5589 1 1332 . 1 1 110 110 LYS CG C 13 24.5 0.1 . 1 . . . . . . . . 5589 1 1333 . 1 1 110 110 LYS CD C 13 29.9 0.1 . 1 . . . . . . . . 5589 1 1334 . 1 1 110 110 LYS CE C 13 42.3 0.1 . 1 . . . . . . . . 5589 1 1335 . 1 1 110 110 LYS N N 15 119.9 0.1 . 1 . . . . . . . . 5589 1 1336 . 1 1 111 111 PHE H H 1 7.84 0.02 . 1 . . . . . . . . 5589 1 1337 . 1 1 111 111 PHE HA H 1 4.61 0.02 . 1 . . . . . . . . 5589 1 1338 . 1 1 111 111 PHE HB2 H 1 2.54 0.02 . 2 . . . . . . . . 5589 1 1339 . 1 1 111 111 PHE HB3 H 1 3.58 0.02 . 2 . . . . . . . . 5589 1 1340 . 1 1 111 111 PHE HD1 H 1 7.46 0.02 . 1 . . . . . . . . 5589 1 1341 . 1 1 111 111 PHE HD2 H 1 7.46 0.02 . 1 . . . . . . . . 5589 1 1342 . 1 1 111 111 PHE HE1 H 1 7.33 0.02 . 1 . . . . . . . . 5589 1 1343 . 1 1 111 111 PHE HE2 H 1 7.33 0.02 . 1 . . . . . . . . 5589 1 1344 . 1 1 111 111 PHE HZ H 1 7.30 0.02 . 1 . . . . . . . . 5589 1 1345 . 1 1 111 111 PHE C C 13 173.4 0.1 . 1 . . . . . . . . 5589 1 1346 . 1 1 111 111 PHE CA C 13 59.0 0.1 . 1 . . . . . . . . 5589 1 1347 . 1 1 111 111 PHE CB C 13 40.1 0.1 . 1 . . . . . . . . 5589 1 1348 . 1 1 111 111 PHE CD1 C 13 131.4 0.1 . 1 . . . . . . . . 5589 1 1349 . 1 1 111 111 PHE CD2 C 13 131.4 0.1 . 1 . . . . . . . . 5589 1 1350 . 1 1 111 111 PHE CE1 C 13 131.2 0.1 . 1 . . . . . . . . 5589 1 1351 . 1 1 111 111 PHE CE2 C 13 131.2 0.1 . 1 . . . . . . . . 5589 1 1352 . 1 1 111 111 PHE CZ C 13 129.4 0.1 . 1 . . . . . . . . 5589 1 1353 . 1 1 111 111 PHE N N 15 113.6 0.1 . 1 . . . . . . . . 5589 1 1354 . 1 1 112 112 ASP H H 1 7.88 0.02 . 1 . . . . . . . . 5589 1 1355 . 1 1 112 112 ASP HA H 1 4.54 0.02 . 1 . . . . . . . . 5589 1 1356 . 1 1 112 112 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 5589 1 1357 . 1 1 112 112 ASP HB3 H 1 3.21 0.02 . 2 . . . . . . . . 5589 1 1358 . 1 1 112 112 ASP C C 13 175.4 0.1 . 1 . . . . . . . . 5589 1 1359 . 1 1 112 112 ASP CA C 13 55.6 0.1 . 1 . . . . . . . . 5589 1 1360 . 1 1 112 112 ASP CB C 13 39.7 0.1 . 1 . . . . . . . . 5589 1 1361 . 1 1 112 112 ASP N N 15 118.8 0.1 . 1 . . . . . . . . 5589 1 1362 . 1 1 113 113 ILE H H 1 8.51 0.02 . 1 . . . . . . . . 5589 1 1363 . 1 1 113 113 ILE HA H 1 4.97 0.02 . 1 . . . . . . . . 5589 1 1364 . 1 1 113 113 ILE HB H 1 2.39 0.02 . 1 . . . . . . . . 5589 1 1365 . 1 1 113 113 ILE HG12 H 1 1.14 0.02 . 2 . . . . . . . . 5589 1 1366 . 1 1 113 113 ILE HG13 H 1 1.40 0.02 . 2 . . . . . . . . 5589 1 1367 . 1 1 113 113 ILE HG21 H 1 0.94 0.02 . 1 . . . . . . . . 5589 1 1368 . 1 1 113 113 ILE HG22 H 1 0.94 0.02 . 1 . . . . . . . . 5589 1 1369 . 1 1 113 113 ILE HG23 H 1 0.94 0.02 . 1 . . . . . . . . 5589 1 1370 . 1 1 113 113 ILE HD11 H 1 0.81 0.02 . 1 . . . . . . . . 5589 1 1371 . 1 1 113 113 ILE HD12 H 1 0.81 0.02 . 1 . . . . . . . . 5589 1 1372 . 1 1 113 113 ILE HD13 H 1 0.81 0.02 . 1 . . . . . . . . 5589 1 1373 . 1 1 113 113 ILE C C 13 173.8 0.1 . 1 . . . . . . . . 5589 1 1374 . 1 1 113 113 ILE CA C 13 59.9 0.1 . 1 . . . . . . . . 5589 1 1375 . 1 1 113 113 ILE CB C 13 39.4 0.1 . 1 . . . . . . . . 5589 1 1376 . 1 1 113 113 ILE CG1 C 13 27.7 0.1 . 1 . . . . . . . . 5589 1 1377 . 1 1 113 113 ILE CG2 C 13 19.4 0.1 . 1 . . . . . . . . 5589 1 1378 . 1 1 113 113 ILE CD1 C 13 15.6 0.1 . 1 . . . . . . . . 5589 1 1379 . 1 1 113 113 ILE N N 15 112.8 0.1 . 1 . . . . . . . . 5589 1 1380 . 1 1 114 114 ILE H H 1 8.83 0.02 . 1 . . . . . . . . 5589 1 1381 . 1 1 114 114 ILE HA H 1 4.41 0.02 . 1 . . . . . . . . 5589 1 1382 . 1 1 114 114 ILE HB H 1 1.46 0.02 . 1 . . . . . . . . 5589 1 1383 . 1 1 114 114 ILE HG12 H 1 1.08 0.02 . 2 . . . . . . . . 5589 1 1384 . 1 1 114 114 ILE HG13 H 1 1.41 0.02 . 2 . . . . . . . . 5589 1 1385 . 1 1 114 114 ILE HG21 H 1 0.76 0.02 . 1 . . . . . . . . 5589 1 1386 . 1 1 114 114 ILE HG22 H 1 0.76 0.02 . 1 . . . . . . . . 5589 1 1387 . 1 1 114 114 ILE HG23 H 1 0.76 0.02 . 1 . . . . . . . . 5589 1 1388 . 1 1 114 114 ILE HD11 H 1 0.70 0.02 . 1 . . . . . . . . 5589 1 1389 . 1 1 114 114 ILE HD12 H 1 0.70 0.02 . 1 . . . . . . . . 5589 1 1390 . 1 1 114 114 ILE HD13 H 1 0.70 0.02 . 1 . . . . . . . . 5589 1 1391 . 1 1 114 114 ILE C C 13 175.4 0.1 . 1 . . . . . . . . 5589 1 1392 . 1 1 114 114 ILE CA C 13 60.6 0.1 . 1 . . . . . . . . 5589 1 1393 . 1 1 114 114 ILE CB C 13 40.3 0.1 . 1 . . . . . . . . 5589 1 1394 . 1 1 114 114 ILE CG1 C 13 27.8 0.1 . 1 . . . . . . . . 5589 1 1395 . 1 1 114 114 ILE CG2 C 13 13.1 0.1 . 1 . . . . . . . . 5589 1 1396 . 1 1 114 114 ILE CD1 C 13 18.0 0.1 . 1 . . . . . . . . 5589 1 1397 . 1 1 114 114 ILE N N 15 120.0 0.1 . 1 . . . . . . . . 5589 1 1398 . 1 1 115 115 TYR H H 1 8.87 0.02 . 1 . . . . . . . . 5589 1 1399 . 1 1 115 115 TYR HA H 1 4.61 0.02 . 1 . . . . . . . . 5589 1 1400 . 1 1 115 115 TYR HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5589 1 1401 . 1 1 115 115 TYR HB3 H 1 3.02 0.02 . 2 . . . . . . . . 5589 1 1402 . 1 1 115 115 TYR HD1 H 1 6.86 0.02 . 1 . . . . . . . . 5589 1 1403 . 1 1 115 115 TYR HD2 H 1 6.86 0.02 . 1 . . . . . . . . 5589 1 1404 . 1 1 115 115 TYR HE1 H 1 6.85 0.02 . 1 . . . . . . . . 5589 1 1405 . 1 1 115 115 TYR HE2 H 1 6.85 0.02 . 1 . . . . . . . . 5589 1 1406 . 1 1 115 115 TYR C C 13 174.4 0.1 . 1 . . . . . . . . 5589 1 1407 . 1 1 115 115 TYR CA C 13 58.8 0.1 . 1 . . . . . . . . 5589 1 1408 . 1 1 115 115 TYR CB C 13 39.5 0.1 . 1 . . . . . . . . 5589 1 1409 . 1 1 115 115 TYR CD1 C 13 132.7 0.1 . 1 . . . . . . . . 5589 1 1410 . 1 1 115 115 TYR CD2 C 13 132.7 0.1 . 1 . . . . . . . . 5589 1 1411 . 1 1 115 115 TYR CE1 C 13 118.1 0.1 . 1 . . . . . . . . 5589 1 1412 . 1 1 115 115 TYR CE2 C 13 118.1 0.1 . 1 . . . . . . . . 5589 1 1413 . 1 1 115 115 TYR N N 15 127.0 0.1 . 1 . . . . . . . . 5589 1 1414 . 1 1 116 116 ASP H H 1 8.60 0.02 . 1 . . . . . . . . 5589 1 1415 . 1 1 116 116 ASP HA H 1 5.03 0.02 . 1 . . . . . . . . 5589 1 1416 . 1 1 116 116 ASP HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5589 1 1417 . 1 1 116 116 ASP HB3 H 1 2.55 0.02 . 2 . . . . . . . . 5589 1 1418 . 1 1 116 116 ASP C C 13 175.0 0.1 . 1 . . . . . . . . 5589 1 1419 . 1 1 116 116 ASP CA C 13 53.9 0.1 . 1 . . . . . . . . 5589 1 1420 . 1 1 116 116 ASP CB C 13 45.0 0.1 . 1 . . . . . . . . 5589 1 1421 . 1 1 116 116 ASP N N 15 129.2 0.1 . 1 . . . . . . . . 5589 1 1422 . 1 1 117 117 GLY H H 1 5.65 0.02 . 1 . . . . . . . . 5589 1 1423 . 1 1 117 117 GLY HA2 H 1 3.78 0.02 . 2 . . . . . . . . 5589 1 1424 . 1 1 117 117 GLY HA3 H 1 4.32 0.02 . 2 . . . . . . . . 5589 1 1425 . 1 1 117 117 GLY C C 13 170.1 0.1 . 1 . . . . . . . . 5589 1 1426 . 1 1 117 117 GLY CA C 13 44.5 0.1 . 1 . . . . . . . . 5589 1 1427 . 1 1 117 117 GLY N N 15 104.8 0.1 . 1 . . . . . . . . 5589 1 1428 . 1 1 118 118 TRP H H 1 8.06 0.02 . 1 . . . . . . . . 5589 1 1429 . 1 1 118 118 TRP HA H 1 5.53 0.02 . 1 . . . . . . . . 5589 1 1430 . 1 1 118 118 TRP HB2 H 1 2.32 0.02 . 2 . . . . . . . . 5589 1 1431 . 1 1 118 118 TRP HB3 H 1 2.66 0.02 . 2 . . . . . . . . 5589 1 1432 . 1 1 118 118 TRP HD1 H 1 7.19 0.02 . 1 . . . . . . . . 5589 1 1433 . 1 1 118 118 TRP HE1 H 1 10.4 0.02 . 1 . . . . . . . . 5589 1 1434 . 1 1 118 118 TRP HE3 H 1 7.14 0.02 . 1 . . . . . . . . 5589 1 1435 . 1 1 118 118 TRP HZ2 H 1 7.66 0.02 . 1 . . . . . . . . 5589 1 1436 . 1 1 118 118 TRP HZ3 H 1 6.55 0.02 . 1 . . . . . . . . 5589 1 1437 . 1 1 118 118 TRP HH2 H 1 6.67 0.02 . 1 . . . . . . . . 5589 1 1438 . 1 1 118 118 TRP C C 13 175.3 0.1 . 1 . . . . . . . . 5589 1 1439 . 1 1 118 118 TRP CA C 13 53.9 0.1 . 1 . . . . . . . . 5589 1 1440 . 1 1 118 118 TRP CB C 13 32.5 0.1 . 1 . . . . . . . . 5589 1 1441 . 1 1 118 118 TRP CD1 C 13 127.3 0.1 . 1 . . . . . . . . 5589 1 1442 . 1 1 118 118 TRP CE3 C 13 121.2 0.1 . 1 . . . . . . . . 5589 1 1443 . 1 1 118 118 TRP CZ2 C 13 113.4 0.1 . 1 . . . . . . . . 5589 1 1444 . 1 1 118 118 TRP CZ3 C 13 119.8 0.1 . 1 . . . . . . . . 5589 1 1445 . 1 1 118 118 TRP CH2 C 13 123.5 0.1 . 1 . . . . . . . . 5589 1 1446 . 1 1 118 118 TRP N N 15 113.0 0.1 . 1 . . . . . . . . 5589 1 1447 . 1 1 118 118 TRP NE1 N 15 128.8 0.1 . 1 . . . . . . . . 5589 1 1448 . 1 1 119 119 GLY H H 1 8.62 0.02 . 1 . . . . . . . . 5589 1 1449 . 1 1 119 119 GLY HA2 H 1 3.95 0.02 . 2 . . . . . . . . 5589 1 1450 . 1 1 119 119 GLY HA3 H 1 4.00 0.02 . 2 . . . . . . . . 5589 1 1451 . 1 1 119 119 GLY C C 13 171.7 0.1 . 1 . . . . . . . . 5589 1 1452 . 1 1 119 119 GLY CA C 13 44.8 0.1 . 1 . . . . . . . . 5589 1 1453 . 1 1 119 119 GLY N N 15 105.8 0.1 . 1 . . . . . . . . 5589 1 1454 . 1 1 120 120 THR H H 1 8.14 0.02 . 1 . . . . . . . . 5589 1 1455 . 1 1 120 120 THR HA H 1 4.98 0.02 . 1 . . . . . . . . 5589 1 1456 . 1 1 120 120 THR HB H 1 4.46 0.02 . 1 . . . . . . . . 5589 1 1457 . 1 1 120 120 THR HG21 H 1 1.15 0.02 . 1 . . . . . . . . 5589 1 1458 . 1 1 120 120 THR HG22 H 1 1.15 0.02 . 1 . . . . . . . . 5589 1 1459 . 1 1 120 120 THR HG23 H 1 1.15 0.02 . 1 . . . . . . . . 5589 1 1460 . 1 1 120 120 THR C C 13 172.1 0.1 . 1 . . . . . . . . 5589 1 1461 . 1 1 120 120 THR CA C 13 60.5 0.1 . 1 . . . . . . . . 5589 1 1462 . 1 1 120 120 THR CB C 13 69.7 0.1 . 1 . . . . . . . . 5589 1 1463 . 1 1 120 120 THR CG2 C 13 19.5 0.1 . 1 . . . . . . . . 5589 1 1464 . 1 1 120 120 THR N N 15 111.6 0.1 . 1 . . . . . . . . 5589 1 1465 . 1 1 121 121 TYR H H 1 8.80 0.02 . 1 . . . . . . . . 5589 1 1466 . 1 1 121 121 TYR HA H 1 4.85 0.02 . 1 . . . . . . . . 5589 1 1467 . 1 1 121 121 TYR HB2 H 1 2.95 0.02 . 1 . . . . . . . . 5589 1 1468 . 1 1 121 121 TYR HB3 H 1 3.06 0.02 . 1 . . . . . . . . 5589 1 1469 . 1 1 121 121 TYR C C 13 174.2 0.1 . 1 . . . . . . . . 5589 1 1470 . 1 1 121 121 TYR CA C 13 57.2 0.1 . 1 . . . . . . . . 5589 1 1471 . 1 1 121 121 TYR CB C 13 40.7 0.1 . 1 . . . . . . . . 5589 1 1472 . 1 1 121 121 TYR N N 15 122.0 0.1 . 1 . . . . . . . . 5589 1 1473 . 1 1 122 122 TYR H H 1 8.27 0.02 . 1 . . . . . . . . 5589 1 1474 . 1 1 122 122 TYR HA H 1 4.46 0.02 . 1 . . . . . . . . 5589 1 1475 . 1 1 122 122 TYR HB2 H 1 2.94 0.02 . 2 . . . . . . . . 5589 1 1476 . 1 1 122 122 TYR HB3 H 1 3.07 0.02 . 2 . . . . . . . . 5589 1 1477 . 1 1 122 122 TYR HD1 H 1 7.08 0.02 . 1 . . . . . . . . 5589 1 1478 . 1 1 122 122 TYR HD2 H 1 7.08 0.02 . 1 . . . . . . . . 5589 1 1479 . 1 1 122 122 TYR HE1 H 1 6.80 0.02 . 1 . . . . . . . . 5589 1 1480 . 1 1 122 122 TYR HE2 H 1 6.80 0.02 . 1 . . . . . . . . 5589 1 1481 . 1 1 122 122 TYR C C 13 175.0 0.1 . 1 . . . . . . . . 5589 1 1482 . 1 1 122 122 TYR CA C 13 58.5 0.1 . 1 . . . . . . . . 5589 1 1483 . 1 1 122 122 TYR CB C 13 40.0 0.1 . 1 . . . . . . . . 5589 1 1484 . 1 1 122 122 TYR CD1 C 13 133.4 0.1 . 1 . . . . . . . . 5589 1 1485 . 1 1 122 122 TYR CD2 C 13 133.4 0.1 . 1 . . . . . . . . 5589 1 1486 . 1 1 122 122 TYR CE1 C 13 117.9 0.1 . 1 . . . . . . . . 5589 1 1487 . 1 1 122 122 TYR CE2 C 13 117.9 0.1 . 1 . . . . . . . . 5589 1 1488 . 1 1 122 122 TYR N N 15 121.6 0.1 . 1 . . . . . . . . 5589 1 1489 . 1 1 123 123 GLU H H 1 8.30 0.02 . 1 . . . . . . . . 5589 1 1490 . 1 1 123 123 GLU HA H 1 4.31 0.02 . 1 . . . . . . . . 5589 1 1491 . 1 1 123 123 GLU HB2 H 1 1.65 0.02 . 2 . . . . . . . . 5589 1 1492 . 1 1 123 123 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5589 1 1493 . 1 1 123 123 GLU HG2 H 1 1.73 0.02 . 2 . . . . . . . . 5589 1 1494 . 1 1 123 123 GLU HG3 H 1 2.06 0.02 . 2 . . . . . . . . 5589 1 1495 . 1 1 123 123 GLU C C 13 175.5 0.1 . 1 . . . . . . . . 5589 1 1496 . 1 1 123 123 GLU CA C 13 56.0 0.1 . 1 . . . . . . . . 5589 1 1497 . 1 1 123 123 GLU CB C 13 30.4 0.1 . 1 . . . . . . . . 5589 1 1498 . 1 1 123 123 GLU CG C 13 35.3 0.1 . 1 . . . . . . . . 5589 1 1499 . 1 1 123 123 GLU N N 15 125.8 0.1 . 1 . . . . . . . . 5589 1 1500 . 1 1 124 124 GLY H H 1 8.09 0.02 . 1 . . . . . . . . 5589 1 1501 . 1 1 124 124 GLY HA2 H 1 3.94 0.02 . 2 . . . . . . . . 5589 1 1502 . 1 1 124 124 GLY HA3 H 1 4.06 0.02 . 2 . . . . . . . . 5589 1 1503 . 1 1 124 124 GLY C C 13 174.0 0.1 . 1 . . . . . . . . 5589 1 1504 . 1 1 124 124 GLY CA C 13 45.5 0.1 . 1 . . . . . . . . 5589 1 1505 . 1 1 124 124 GLY N N 15 109.8 0.1 . 1 . . . . . . . . 5589 1 1506 . 1 1 125 125 LEU H H 1 8.22 0.02 . 1 . . . . . . . . 5589 1 1507 . 1 1 125 125 LEU HA H 1 4.38 0.02 . 1 . . . . . . . . 5589 1 1508 . 1 1 125 125 LEU HB2 H 1 1.62 0.02 . 1 . . . . . . . . 5589 1 1509 . 1 1 125 125 LEU HB3 H 1 1.62 0.02 . 1 . . . . . . . . 5589 1 1510 . 1 1 125 125 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 5589 1 1511 . 1 1 125 125 LEU HD11 H 1 0.92 0.02 . 1 . . . . . . . . 5589 1 1512 . 1 1 125 125 LEU HD12 H 1 0.92 0.02 . 1 . . . . . . . . 5589 1 1513 . 1 1 125 125 LEU HD13 H 1 0.92 0.02 . 1 . . . . . . . . 5589 1 1514 . 1 1 125 125 LEU HD21 H 1 0.92 0.02 . 1 . . . . . . . . 5589 1 1515 . 1 1 125 125 LEU HD22 H 1 0.92 0.02 . 1 . . . . . . . . 5589 1 1516 . 1 1 125 125 LEU HD23 H 1 0.92 0.02 . 1 . . . . . . . . 5589 1 1517 . 1 1 125 125 LEU C C 13 177.4 0.1 . 1 . . . . . . . . 5589 1 1518 . 1 1 125 125 LEU CA C 13 55.6 0.1 . 1 . . . . . . . . 5589 1 1519 . 1 1 125 125 LEU CB C 13 42.9 0.1 . 1 . . . . . . . . 5589 1 1520 . 1 1 125 125 LEU CG C 13 27.2 0.1 . 1 . . . . . . . . 5589 1 1521 . 1 1 125 125 LEU CD1 C 13 25.0 0.1 . 1 . . . . . . . . 5589 1 1522 . 1 1 125 125 LEU CD2 C 13 25.0 0.1 . 1 . . . . . . . . 5589 1 1523 . 1 1 125 125 LEU N N 15 121.7 0.1 . 1 . . . . . . . . 5589 1 1524 . 1 1 126 126 GLU H H 1 8.58 0.02 . 1 . . . . . . . . 5589 1 1525 . 1 1 126 126 GLU HA H 1 4.24 0.02 . 1 . . . . . . . . 5589 1 1526 . 1 1 126 126 GLU HB2 H 1 1.89 0.02 . 2 . . . . . . . . 5589 1 1527 . 1 1 126 126 GLU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5589 1 1528 . 1 1 126 126 GLU HG2 H 1 2.14 0.02 . 2 . . . . . . . . 5589 1 1529 . 1 1 126 126 GLU HG3 H 1 2.23 0.02 . 2 . . . . . . . . 5589 1 1530 . 1 1 126 126 GLU C C 13 176.0 0.1 . 1 . . . . . . . . 5589 1 1531 . 1 1 126 126 GLU CA C 13 56.9 0.1 . 1 . . . . . . . . 5589 1 1532 . 1 1 126 126 GLU CB C 13 30.3 0.1 . 1 . . . . . . . . 5589 1 1533 . 1 1 126 126 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 5589 1 1534 . 1 1 126 126 GLU N N 15 121.0 0.1 . 1 . . . . . . . . 5589 1 1535 . 1 1 127 127 HIS H H 1 8.27 0.02 . 1 . . . . . . . . 5589 1 1536 . 1 1 127 127 HIS HA H 1 4.63 0.02 . 1 . . . . . . . . 5589 1 1537 . 1 1 127 127 HIS HB2 H 1 3.13 0.02 . 1 . . . . . . . . 5589 1 1538 . 1 1 127 127 HIS HB3 H 1 3.13 0.02 . 1 . . . . . . . . 5589 1 1539 . 1 1 127 127 HIS CA C 13 56.1 0.1 . 1 . . . . . . . . 5589 1 1540 . 1 1 127 127 HIS CB C 13 30.4 0.1 . 1 . . . . . . . . 5589 1 1541 . 1 1 127 127 HIS N N 15 119.6 0.1 . 1 . . . . . . . . 5589 1 1542 . 1 1 128 128 HIS H H 1 8.15 0.02 . 1 . . . . . . . . 5589 1 1543 . 1 1 128 128 HIS HA H 1 4.43 0.02 . 1 . . . . . . . . 5589 1 1544 . 1 1 128 128 HIS CA C 13 57.5 0.1 . 1 . . . . . . . . 5589 1 1545 . 1 1 128 128 HIS N N 15 125.4 0.1 . 1 . . . . . . . . 5589 1 stop_ save_