data_5970 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5970 _Entry.Title ; Solution Structure of Ribosomal Protein L18 from Bacillus stearothermophilus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-10-14 _Entry.Accession_date 2003-10-14 _Entry.Last_release_date 2004-02-13 _Entry.Original_release_date 2004-02-13 _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 C. Turner . F. . 5970 2 P. Moore . B. . 5970 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5970 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 597 5970 '13C chemical shifts' 245 5970 '15N chemical shifts' 114 5970 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-02-13 2003-10-14 original author . 5970 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5970 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14687565 _Citation.Full_citation . _Citation.Title ; The Solution Structure of Ribosomal Protein L18 from Bacillus stearothermophilus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 335 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 679 _Citation.Page_last 684 _Citation.Year 2004 _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 C. Turner . F. . 5970 1 2 P. Moore . B. . 5970 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Ribosomal Protein' 5970 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_BstL18 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_BstL18 _Assembly.Entry_ID 5970 _Assembly.ID 1 _Assembly.Name '50S Ribosomal Protein L18' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 5970 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 '50S Ribosomal Protein L18' 1 $BstL18 . . . native . . . . . 5970 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '50S Ribosomal Protein L18' system 5970 1 BstL18 abbreviation 5970 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BstL18 _Entity.Sf_category entity _Entity.Sf_framecode BstL18 _Entity.Entry_ID 5970 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Bacillus stearothermophius L18' _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 ; MITKVDRNAVRKKRHARIRK KIFGTTERPRLSVFRSNKHI YAQIIDDTKSATIVSASTLD KEFGLDSTNNIEAAKKVGEL VAKRALEKGIKQVVFDRGGY LYHGRVKALADAAREAGLEF ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 1OVY . "Solution Structure Of Ribosomal Protein L18 From Bacillus Stearothermophilus" . . . . . 100.00 120 100.00 100.00 7.37e-79 . . . . 5970 1 2 no DBJ BAD74407 . "50S ribosomal protein L18 [Geobacillus kaustophilus HTA426]" . . . . . 100.00 120 97.50 99.17 6.91e-77 . . . . 5970 1 3 no DBJ GAD13888 . "50S ribosomal protein L18 [Geobacillus kaustophilus GBlys]" . . . . . 100.00 120 97.50 99.17 6.91e-77 . . . . 5970 1 4 no DBJ GAJ56889 . "50S ribosomal protein L18 [Geobacillus thermoleovorans B23]" . . . . . 100.00 120 97.50 99.17 6.91e-77 . . . . 5970 1 5 no GB AAA22702 . "ribosomal protein L18 [Geobacillus stearothermophilus]" . . . . . 100.00 120 99.17 99.17 5.37e-78 . . . . 5970 1 6 no GB ACX76823 . "ribosomal protein L18 [Geobacillus sp. Y412MC61]" . . . . . 100.00 120 97.50 99.17 6.91e-77 . . . . 5970 1 7 no GB ADI25196 . "ribosomal protein L18 [Geobacillus sp. C56-T3]" . . . . . 100.00 120 97.50 99.17 6.91e-77 . . . . 5970 1 8 no GB AEV17466 . "50S ribosomal protein L18 [Geobacillus thermoleovorans CCB_US3_UF5]" . . . . . 100.00 120 97.50 99.17 6.91e-77 . . . . 5970 1 9 no GB AGE20738 . "50S ribosomal protein L18 [Geobacillus sp. GHH01]" . . . . . 100.00 120 97.50 99.17 6.91e-77 . . . . 5970 1 10 no REF WP_011229635 . "MULTISPECIES: 50S ribosomal protein L18 [Geobacillus]" . . . . . 100.00 120 97.50 99.17 6.91e-77 . . . . 5970 1 11 no REF WP_033008681 . "50S ribosomal protein L18 [Geobacillus stearothermophilus]" . . . . . 100.00 120 100.00 100.00 7.37e-79 . . . . 5970 1 12 no REF YP_003251305 . "50S ribosomal protein L18 [Geobacillus sp. Y412MC61]" . . . . . 100.00 120 97.50 99.17 6.91e-77 . . . . 5970 1 13 no REF YP_003669773 . "50S ribosomal protein L18 [Geobacillus sp. C56-T3]" . . . . . 100.00 120 97.50 99.17 6.91e-77 . . . . 5970 1 14 no REF YP_004980566 . "50S ribosomal protein L18 [Geobacillus thermoleovorans CCB_US3_UF5]" . . . . . 100.00 120 97.50 99.17 6.91e-77 . . . . 5970 1 15 no SP P09415 . "RecName: Full=50S ribosomal protein L18; AltName: Full=BL22 [Geobacillus stearothermophilus]" . . . . . 100.00 120 100.00 100.00 7.37e-79 . . . . 5970 1 16 no SP Q5L3S3 . "RecName: Full=50S ribosomal protein L18 [Geobacillus kaustophilus HTA426]" . . . . . 100.00 120 97.50 99.17 6.91e-77 . . . . 5970 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Bacillus stearothermophius L18' common 5970 1 BstL18 abbreviation 5970 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 . 5970 1 2 . ILE . 5970 1 3 . THR . 5970 1 4 . LYS . 5970 1 5 . VAL . 5970 1 6 . ASP . 5970 1 7 . ARG . 5970 1 8 . ASN . 5970 1 9 . ALA . 5970 1 10 . VAL . 5970 1 11 . ARG . 5970 1 12 . LYS . 5970 1 13 . LYS . 5970 1 14 . ARG . 5970 1 15 . HIS . 5970 1 16 . ALA . 5970 1 17 . ARG . 5970 1 18 . ILE . 5970 1 19 . ARG . 5970 1 20 . LYS . 5970 1 21 . LYS . 5970 1 22 . ILE . 5970 1 23 . PHE . 5970 1 24 . GLY . 5970 1 25 . THR . 5970 1 26 . THR . 5970 1 27 . GLU . 5970 1 28 . ARG . 5970 1 29 . PRO . 5970 1 30 . ARG . 5970 1 31 . LEU . 5970 1 32 . SER . 5970 1 33 . VAL . 5970 1 34 . PHE . 5970 1 35 . ARG . 5970 1 36 . SER . 5970 1 37 . ASN . 5970 1 38 . LYS . 5970 1 39 . HIS . 5970 1 40 . ILE . 5970 1 41 . TYR . 5970 1 42 . ALA . 5970 1 43 . GLN . 5970 1 44 . ILE . 5970 1 45 . ILE . 5970 1 46 . ASP . 5970 1 47 . ASP . 5970 1 48 . THR . 5970 1 49 . LYS . 5970 1 50 . SER . 5970 1 51 . ALA . 5970 1 52 . THR . 5970 1 53 . ILE . 5970 1 54 . VAL . 5970 1 55 . SER . 5970 1 56 . ALA . 5970 1 57 . SER . 5970 1 58 . THR . 5970 1 59 . LEU . 5970 1 60 . ASP . 5970 1 61 . LYS . 5970 1 62 . GLU . 5970 1 63 . PHE . 5970 1 64 . GLY . 5970 1 65 . LEU . 5970 1 66 . ASP . 5970 1 67 . SER . 5970 1 68 . THR . 5970 1 69 . ASN . 5970 1 70 . ASN . 5970 1 71 . ILE . 5970 1 72 . GLU . 5970 1 73 . ALA . 5970 1 74 . ALA . 5970 1 75 . LYS . 5970 1 76 . LYS . 5970 1 77 . VAL . 5970 1 78 . GLY . 5970 1 79 . GLU . 5970 1 80 . LEU . 5970 1 81 . VAL . 5970 1 82 . ALA . 5970 1 83 . LYS . 5970 1 84 . ARG . 5970 1 85 . ALA . 5970 1 86 . LEU . 5970 1 87 . GLU . 5970 1 88 . LYS . 5970 1 89 . GLY . 5970 1 90 . ILE . 5970 1 91 . LYS . 5970 1 92 . GLN . 5970 1 93 . VAL . 5970 1 94 . VAL . 5970 1 95 . PHE . 5970 1 96 . ASP . 5970 1 97 . ARG . 5970 1 98 . GLY . 5970 1 99 . GLY . 5970 1 100 . TYR . 5970 1 101 . LEU . 5970 1 102 . TYR . 5970 1 103 . HIS . 5970 1 104 . GLY . 5970 1 105 . ARG . 5970 1 106 . VAL . 5970 1 107 . LYS . 5970 1 108 . ALA . 5970 1 109 . LEU . 5970 1 110 . ALA . 5970 1 111 . ASP . 5970 1 112 . ALA . 5970 1 113 . ALA . 5970 1 114 . ARG . 5970 1 115 . GLU . 5970 1 116 . ALA . 5970 1 117 . GLY . 5970 1 118 . LEU . 5970 1 119 . GLU . 5970 1 120 . PHE . 5970 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 5970 1 . ILE 2 2 5970 1 . THR 3 3 5970 1 . LYS 4 4 5970 1 . VAL 5 5 5970 1 . ASP 6 6 5970 1 . ARG 7 7 5970 1 . ASN 8 8 5970 1 . ALA 9 9 5970 1 . VAL 10 10 5970 1 . ARG 11 11 5970 1 . LYS 12 12 5970 1 . LYS 13 13 5970 1 . ARG 14 14 5970 1 . HIS 15 15 5970 1 . ALA 16 16 5970 1 . ARG 17 17 5970 1 . ILE 18 18 5970 1 . ARG 19 19 5970 1 . LYS 20 20 5970 1 . LYS 21 21 5970 1 . ILE 22 22 5970 1 . PHE 23 23 5970 1 . GLY 24 24 5970 1 . THR 25 25 5970 1 . THR 26 26 5970 1 . GLU 27 27 5970 1 . ARG 28 28 5970 1 . PRO 29 29 5970 1 . ARG 30 30 5970 1 . LEU 31 31 5970 1 . SER 32 32 5970 1 . VAL 33 33 5970 1 . PHE 34 34 5970 1 . ARG 35 35 5970 1 . SER 36 36 5970 1 . ASN 37 37 5970 1 . LYS 38 38 5970 1 . HIS 39 39 5970 1 . ILE 40 40 5970 1 . TYR 41 41 5970 1 . ALA 42 42 5970 1 . GLN 43 43 5970 1 . ILE 44 44 5970 1 . ILE 45 45 5970 1 . ASP 46 46 5970 1 . ASP 47 47 5970 1 . THR 48 48 5970 1 . LYS 49 49 5970 1 . SER 50 50 5970 1 . ALA 51 51 5970 1 . THR 52 52 5970 1 . ILE 53 53 5970 1 . VAL 54 54 5970 1 . SER 55 55 5970 1 . ALA 56 56 5970 1 . SER 57 57 5970 1 . THR 58 58 5970 1 . LEU 59 59 5970 1 . ASP 60 60 5970 1 . LYS 61 61 5970 1 . GLU 62 62 5970 1 . PHE 63 63 5970 1 . GLY 64 64 5970 1 . LEU 65 65 5970 1 . ASP 66 66 5970 1 . SER 67 67 5970 1 . THR 68 68 5970 1 . ASN 69 69 5970 1 . ASN 70 70 5970 1 . ILE 71 71 5970 1 . GLU 72 72 5970 1 . ALA 73 73 5970 1 . ALA 74 74 5970 1 . LYS 75 75 5970 1 . LYS 76 76 5970 1 . VAL 77 77 5970 1 . GLY 78 78 5970 1 . GLU 79 79 5970 1 . LEU 80 80 5970 1 . VAL 81 81 5970 1 . ALA 82 82 5970 1 . LYS 83 83 5970 1 . ARG 84 84 5970 1 . ALA 85 85 5970 1 . LEU 86 86 5970 1 . GLU 87 87 5970 1 . LYS 88 88 5970 1 . GLY 89 89 5970 1 . ILE 90 90 5970 1 . LYS 91 91 5970 1 . GLN 92 92 5970 1 . VAL 93 93 5970 1 . VAL 94 94 5970 1 . PHE 95 95 5970 1 . ASP 96 96 5970 1 . ARG 97 97 5970 1 . GLY 98 98 5970 1 . GLY 99 99 5970 1 . TYR 100 100 5970 1 . LEU 101 101 5970 1 . TYR 102 102 5970 1 . HIS 103 103 5970 1 . GLY 104 104 5970 1 . ARG 105 105 5970 1 . VAL 106 106 5970 1 . LYS 107 107 5970 1 . ALA 108 108 5970 1 . LEU 109 109 5970 1 . ALA 110 110 5970 1 . ASP 111 111 5970 1 . ALA 112 112 5970 1 . ALA 113 113 5970 1 . ARG 114 114 5970 1 . GLU 115 115 5970 1 . ALA 116 116 5970 1 . GLY 117 117 5970 1 . LEU 118 118 5970 1 . GLU 119 119 5970 1 . PHE 120 120 5970 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 5970 _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 $BstL18 . 1422 . . 'Bacillus stearothermophilus' 'Geobacillus stearothermophilus' . . Eubacteria . Bacillus stearothermophilus . . . . . . . . . . . . . . . . . . . . . 5970 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 5970 _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 $BstL18 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . PET13A . . . . . . 5970 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5970 _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 'Bacillus stearothermophius L18' [U-15N] . . 1 $BstL18 . . 1.5 . . mM . . . . 5970 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 5970 1 3 NaCl . . . . . . . 200 . . mM . . . . 5970 1 4 MgCl2 . . . . . . . 5 . . mM . . . . 5970 1 5 H2O . . . . . . . 90 . . % . . . . 5970 1 6 D2O . . . . . . . 10 . . % . . . . 5970 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5970 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Bacillus stearothermophius L18' '[U-15N; U-13C]' . . 1 $BstL18 . . 1.5 . . mM . . . . 5970 2 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 5970 2 3 NaCl . . . . . . . 200 . . mM . . . . 5970 2 4 MgCl2 . . . . . . . 5 . . mM . . . . 5970 2 5 H2O . . . . . . . 90 . . % . . . . 5970 2 6 D2O . . . . . . . 10 . . % . . . . 5970 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5970 _Sample.ID 3 _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 'Bacillus stearothermophius L18' . . . 1 $BstL18 . . 1 . . mM . . . . 5970 3 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 5970 3 3 NaCl . . . . . . . 200 . . mM . . . . 5970 3 4 MgCl2 . . . . . . . 5 . . mM . . . . 5970 3 5 H2O . . . . . . . 90 . . % . . . . 5970 3 6 D2O . . . . . . . 10 . . % . . . . 5970 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5970 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 na 5970 1 temperature 298 0.1 K 5970 1 'ionic strength' 225 . mM 5970 1 pressure 1 . atm 5970 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5970 _Software.ID 1 _Software.Name FELIX _Software.Version 97.0 _Software.Details Biosym/MSI loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5970 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 5970 _Software.ID 2 _Software.Name Sparky _Software.Version 3.93 _Software.Details 'Goddard, T.D. & Kneller, D.G.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5970 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 5970 _Software.ID 3 _Software.Name CNS _Software.Version 1.0 _Software.Details 'Brunger, A.T. et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5970 3 refinement 5970 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 5970 _Software.ID 4 _Software.Name ARIA _Software.Version 1.2 _Software.Details 'Linge, J.P. & Nilges, M.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5970 4 refinement 5970 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5970 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5970 _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 Varian UNITY . 600 . . . 5970 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 5970 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5970 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5970 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5970 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5970 1 5 HNCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5970 1 6 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5970 1 7 '15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5970 1 8 '15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5970 1 9 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5970 1 10 '13C NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5970 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5970 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5970 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5970 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5970 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5970 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5970 _NMR_spec_expt.ID 6 _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 . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5970 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5970 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5970 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5970 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '13C NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 5970 _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 . direct 1.000000000 . . . . . . . . . 5970 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5970 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5970 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5970 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_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 '1H-15N HSQC' 1 $sample_1 . 5970 1 2 HNCA 1 $sample_1 . 5970 1 3 HNCACB 1 $sample_1 . 5970 1 4 HNCO 1 $sample_1 . 5970 1 5 HNCACO 1 $sample_1 . 5970 1 6 HCCH-TOCSY 1 $sample_1 . 5970 1 7 '15N TOCSY-HSQC' 1 $sample_1 . 5970 1 8 '15N NOESY-HSQC' 1 $sample_1 . 5970 1 9 '2D NOESY' 1 $sample_1 . 5970 1 10 '13C NOESY-HSQC' 1 $sample_1 . 5970 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ILE CB C 13 37.567 0.30 . 1 . . . . . . . . 5970 1 2 . 1 1 3 3 THR CA C 13 60.745 0.30 . 1 . . . . . . . . 5970 1 3 . 1 1 3 3 THR CB C 13 68.639 0.30 . 1 . . . . . . . . 5970 1 4 . 1 1 3 3 THR HA H 1 4.266 0.03 . 1 . . . . . . . . 5970 1 5 . 1 1 3 3 THR HB H 1 4.641 0.03 . 1 . . . . . . . . 5970 1 6 . 1 1 3 3 THR HG1 H 1 3.041 0.03 . 1 . . . . . . . . 5970 1 7 . 1 1 3 3 THR HG21 H 1 1.112 0.03 . 1 . . . . . . . . 5970 1 8 . 1 1 3 3 THR HG22 H 1 1.112 0.03 . 1 . . . . . . . . 5970 1 9 . 1 1 3 3 THR HG23 H 1 1.112 0.03 . 1 . . . . . . . . 5970 1 10 . 1 1 3 3 THR H H 1 8.299 0.03 . 1 . . . . . . . . 5970 1 11 . 1 1 3 3 THR N N 15 121.198 0.30 . 1 . . . . . . . . 5970 1 12 . 1 1 4 4 LYS CA C 13 55.21 0.30 . 1 . . . . . . . . 5970 1 13 . 1 1 4 4 LYS CB C 13 31.959 0.30 . 1 . . . . . . . . 5970 1 14 . 1 1 4 4 LYS HA H 1 4.288 0.03 . 1 . . . . . . . . 5970 1 15 . 1 1 4 4 LYS HB2 H 1 1.688 0.03 . 1 . . . . . . . . 5970 1 16 . 1 1 4 4 LYS HD2 H 1 1.322 0.03 . 1 . . . . . . . . 5970 1 17 . 1 1 4 4 LYS H H 1 8.453 0.03 . 1 . . . . . . . . 5970 1 18 . 1 1 4 4 LYS N N 15 126.636 0.30 . 1 . . . . . . . . 5970 1 19 . 1 1 5 5 VAL CA C 13 60.977 0.30 . 1 . . . . . . . . 5970 1 20 . 1 1 5 5 VAL CB C 13 31.796 0.30 . 1 . . . . . . . . 5970 1 21 . 1 1 5 5 VAL HA H 1 3.985 0.03 . 1 . . . . . . . . 5970 1 22 . 1 1 5 5 VAL HB H 1 1.929 0.03 . 1 . . . . . . . . 5970 1 23 . 1 1 5 5 VAL H H 1 8.098 0.03 . 1 . . . . . . . . 5970 1 24 . 1 1 5 5 VAL N N 15 123.211 0.30 . 1 . . . . . . . . 5970 1 25 . 1 1 6 6 ASP CA C 13 52.664 0.30 . 1 . . . . . . . . 5970 1 26 . 1 1 6 6 ASP CB C 13 40.085 0.30 . 1 . . . . . . . . 5970 1 27 . 1 1 6 6 ASP HA H 1 4.62 0.03 . 1 . . . . . . . . 5970 1 28 . 1 1 6 6 ASP HB2 H 1 2.613 0.03 . 2 . . . . . . . . 5970 1 29 . 1 1 6 6 ASP HB3 H 1 2.542 0.03 . 2 . . . . . . . . 5970 1 30 . 1 1 6 6 ASP H H 1 8.305 0.03 . 1 . . . . . . . . 5970 1 31 . 1 1 6 6 ASP N N 15 125.997 0.30 . 1 . . . . . . . . 5970 1 32 . 1 1 7 7 ARG CA C 13 55.852 0.30 . 1 . . . . . . . . 5970 1 33 . 1 1 7 7 ARG CB C 13 29.034 0.30 . 1 . . . . . . . . 5970 1 34 . 1 1 7 7 ARG HA H 1 4.124 0.03 . 1 . . . . . . . . 5970 1 35 . 1 1 7 7 ARG HB2 H 1 1.722 0.03 . 1 . . . . . . . . 5970 1 36 . 1 1 7 7 ARG HD2 H 1 3.09 0.03 . 1 . . . . . . . . 5970 1 37 . 1 1 7 7 ARG HG2 H 1 1.584 0.03 . 1 . . . . . . . . 5970 1 38 . 1 1 7 7 ARG H H 1 8.388 0.03 . 1 . . . . . . . . 5970 1 39 . 1 1 7 7 ARG N N 15 124.174 0.30 . 1 . . . . . . . . 5970 1 40 . 1 1 8 8 ASN CA C 13 52.534 0.30 . 1 . . . . . . . . 5970 1 41 . 1 1 8 8 ASN CB C 13 37.614 0.30 . 1 . . . . . . . . 5970 1 42 . 1 1 8 8 ASN HA H 1 4.65 0.03 . 1 . . . . . . . . 5970 1 43 . 1 1 8 8 ASN HB2 H 1 2.739 0.03 . 1 . . . . . . . . 5970 1 44 . 1 1 8 8 ASN HD21 H 1 7.627 0.03 . 2 . . . . . . . . 5970 1 45 . 1 1 8 8 ASN HD22 H 1 6.85 0.03 . 2 . . . . . . . . 5970 1 46 . 1 1 8 8 ASN H H 1 8.37 0.03 . 1 . . . . . . . . 5970 1 47 . 1 1 8 8 ASN N N 15 119.245 0.30 . 1 . . . . . . . . 5970 1 48 . 1 1 8 8 ASN ND2 N 15 114.648 0.30 . 1 . . . . . . . . 5970 1 49 . 1 1 9 9 ALA CA C 13 51.83 0.30 . 1 . . . . . . . . 5970 1 50 . 1 1 9 9 ALA CB C 13 17.937 0.30 . 1 . . . . . . . . 5970 1 51 . 1 1 9 9 ALA H H 1 7.835 0.03 . 1 . . . . . . . . 5970 1 52 . 1 1 9 9 ALA N N 15 124.792 0.30 . 1 . . . . . . . . 5970 1 53 . 1 1 10 10 VAL CA C 13 61.668 0.30 . 1 . . . . . . . . 5970 1 54 . 1 1 10 10 VAL CB C 13 31.224 0.30 . 1 . . . . . . . . 5970 1 55 . 1 1 10 10 VAL HA H 1 4.171 0.03 . 1 . . . . . . . . 5970 1 56 . 1 1 10 10 VAL HB H 1 1.991 0.03 . 1 . . . . . . . . 5970 1 57 . 1 1 10 10 VAL HG21 H 1 0.85 0.03 . 2 . . . . . . . . 5970 1 58 . 1 1 10 10 VAL HG22 H 1 0.85 0.03 . 2 . . . . . . . . 5970 1 59 . 1 1 10 10 VAL HG23 H 1 0.85 0.03 . 2 . . . . . . . . 5970 1 60 . 1 1 10 10 VAL H H 1 7.837 0.03 . 1 . . . . . . . . 5970 1 61 . 1 1 10 10 VAL N N 15 119.691 0.30 . 1 . . . . . . . . 5970 1 62 . 1 1 11 11 ARG CA C 13 55.14 0.30 . 1 . . . . . . . . 5970 1 63 . 1 1 11 11 ARG CB C 13 29.476 0.30 . 1 . . . . . . . . 5970 1 64 . 1 1 11 11 ARG HA H 1 4.2 0.03 . 1 . . . . . . . . 5970 1 65 . 1 1 11 11 ARG HB2 H 1 1.71 0.03 . 2 . . . . . . . . 5970 1 66 . 1 1 11 11 ARG HD2 H 1 3.125 0.03 . 2 . . . . . . . . 5970 1 67 . 1 1 11 11 ARG HD3 H 1 3.92 0.03 . 2 . . . . . . . . 5970 1 68 . 1 1 11 11 ARG H H 1 8.123 0.03 . 1 . . . . . . . . 5970 1 69 . 1 1 11 11 ARG N N 15 125.226 0.30 . 1 . . . . . . . . 5970 1 70 . 1 1 15 15 HIS CA C 13 54.464 0.30 . 1 . . . . . . . . 5970 1 71 . 1 1 15 15 HIS CB C 13 28.78 0.30 . 1 . . . . . . . . 5970 1 72 . 1 1 15 15 HIS HA H 1 4.547 0.03 . 1 . . . . . . . . 5970 1 73 . 1 1 15 15 HIS H H 1 8.333 0.03 . 1 . . . . . . . . 5970 1 74 . 1 1 15 15 HIS N N 15 121.431 0.30 . 1 . . . . . . . . 5970 1 75 . 1 1 16 16 ALA CA C 13 51.243 0.30 . 1 . . . . . . . . 5970 1 76 . 1 1 16 16 ALA CB C 13 18.298 0.30 . 1 . . . . . . . . 5970 1 77 . 1 1 16 16 ALA HA H 1 4.229 0.03 . 1 . . . . . . . . 5970 1 78 . 1 1 16 16 ALA HB1 H 1 1.292 0.03 . 1 . . . . . . . . 5970 1 79 . 1 1 16 16 ALA HB2 H 1 1.292 0.03 . 1 . . . . . . . . 5970 1 80 . 1 1 16 16 ALA HB3 H 1 1.292 0.03 . 1 . . . . . . . . 5970 1 81 . 1 1 16 16 ALA H H 1 8.194 0.03 . 1 . . . . . . . . 5970 1 82 . 1 1 16 16 ALA N N 15 126.505 0.30 . 1 . . . . . . . . 5970 1 83 . 1 1 17 17 ARG CA C 13 54.889 0.30 . 1 . . . . . . . . 5970 1 84 . 1 1 17 17 ARG CB C 13 29.547 0.30 . 1 . . . . . . . . 5970 1 85 . 1 1 17 17 ARG H H 1 8.285 0.03 . 1 . . . . . . . . 5970 1 86 . 1 1 17 17 ARG N N 15 122.029 0.30 . 1 . . . . . . . . 5970 1 87 . 1 1 18 18 ILE CA C 13 59.7 0.30 . 1 . . . . . . . . 5970 1 88 . 1 1 18 18 ILE CB C 13 37.493 0.30 . 1 . . . . . . . . 5970 1 89 . 1 1 18 18 ILE HA H 1 4.191 0.03 . 1 . . . . . . . . 5970 1 90 . 1 1 18 18 ILE HB H 1 1.704 0.03 . 1 . . . . . . . . 5970 1 91 . 1 1 18 18 ILE HG13 H 1 1.366 0.03 . 2 . . . . . . . . 5970 1 92 . 1 1 18 18 ILE H H 1 8.083 0.03 . 1 . . . . . . . . 5970 1 93 . 1 1 18 18 ILE N N 15 123.882 0.30 . 1 . . . . . . . . 5970 1 94 . 1 1 19 19 ARG CA C 13 54.603 0.30 . 1 . . . . . . . . 5970 1 95 . 1 1 19 19 ARG CB C 13 29.739 0.30 . 1 . . . . . . . . 5970 1 96 . 1 1 19 19 ARG HA H 1 4.101 0.03 . 1 . . . . . . . . 5970 1 97 . 1 1 19 19 ARG HB2 H 1 1.665 0.03 . 2 . . . . . . . . 5970 1 98 . 1 1 19 19 ARG HD2 H 1 3.016 0.03 . 2 . . . . . . . . 5970 1 99 . 1 1 19 19 ARG HG2 H 1 1.454 0.03 . 2 . . . . . . . . 5970 1 100 . 1 1 19 19 ARG H H 1 8.286 0.03 . 1 . . . . . . . . 5970 1 101 . 1 1 19 19 ARG N N 15 127.101 0.30 . 1 . . . . . . . . 5970 1 102 . 1 1 20 20 LYS CA C 13 54.917 0.30 . 1 . . . . . . . . 5970 1 103 . 1 1 20 20 LYS CB C 13 32.085 0.30 . 1 . . . . . . . . 5970 1 104 . 1 1 20 20 LYS HA H 1 4.223 0.03 . 1 . . . . . . . . 5970 1 105 . 1 1 20 20 LYS H H 1 8.177 0.03 . 1 . . . . . . . . 5970 1 106 . 1 1 20 20 LYS N N 15 124.658 0.30 . 1 . . . . . . . . 5970 1 107 . 1 1 21 21 LYS CA C 13 55.366 0.30 . 1 . . . . . . . . 5970 1 108 . 1 1 21 21 LYS CB C 13 31.965 0.30 . 1 . . . . . . . . 5970 1 109 . 1 1 21 21 LYS HA H 1 4.184 0.03 . 1 . . . . . . . . 5970 1 110 . 1 1 21 21 LYS H H 1 8.146 0.03 . 1 . . . . . . . . 5970 1 111 . 1 1 21 21 LYS N N 15 123.233 0.30 . 1 . . . . . . . . 5970 1 112 . 1 1 22 22 ILE CA C 13 59.236 0.30 . 1 . . . . . . . . 5970 1 113 . 1 1 22 22 ILE CB C 13 36.538 0.30 . 1 . . . . . . . . 5970 1 114 . 1 1 22 22 ILE HA H 1 4.137 0.03 . 1 . . . . . . . . 5970 1 115 . 1 1 22 22 ILE HB H 1 1.638 0.03 . 1 . . . . . . . . 5970 1 116 . 1 1 22 22 ILE HG12 H 1 1.139 0.03 . 2 . . . . . . . . 5970 1 117 . 1 1 22 22 ILE HG13 H 1 1.423 0.03 . 2 . . . . . . . . 5970 1 118 . 1 1 22 22 ILE HG21 H 1 0.714 0.03 . 1 . . . . . . . . 5970 1 119 . 1 1 22 22 ILE HG22 H 1 0.714 0.03 . 1 . . . . . . . . 5970 1 120 . 1 1 22 22 ILE HG23 H 1 0.714 0.03 . 1 . . . . . . . . 5970 1 121 . 1 1 22 22 ILE H H 1 8.036 0.03 . 1 . . . . . . . . 5970 1 122 . 1 1 22 22 ILE N N 15 123.792 0.30 . 1 . . . . . . . . 5970 1 123 . 1 1 23 23 PHE CA C 13 56.059 0.30 . 1 . . . . . . . . 5970 1 124 . 1 1 23 23 PHE CB C 13 40.898 0.30 . 1 . . . . . . . . 5970 1 125 . 1 1 23 23 PHE HA H 1 4.625 0.03 . 1 . . . . . . . . 5970 1 126 . 1 1 23 23 PHE HB2 H 1 2.978 0.03 . 2 . . . . . . . . 5970 1 127 . 1 1 23 23 PHE HB3 H 1 2.711 0.03 . 2 . . . . . . . . 5970 1 128 . 1 1 23 23 PHE HD1 H 1 6.989 0.03 . 1 . . . . . . . . 5970 1 129 . 1 1 23 23 PHE HE1 H 1 7.114 0.03 . 1 . . . . . . . . 5970 1 130 . 1 1 23 23 PHE H H 1 8.237 0.03 . 1 . . . . . . . . 5970 1 131 . 1 1 23 23 PHE N N 15 128.248 0.30 . 1 . . . . . . . . 5970 1 132 . 1 1 24 24 GLY CA C 13 44.641 0.30 . 1 . . . . . . . . 5970 1 133 . 1 1 24 24 GLY HA2 H 1 4.385 0.03 . 1 . . . . . . . . 5970 1 134 . 1 1 24 24 GLY HA3 H 1 3.653 0.03 . 1 . . . . . . . . 5970 1 135 . 1 1 24 24 GLY H H 1 10.641 0.03 . 1 . . . . . . . . 5970 1 136 . 1 1 24 24 GLY N N 15 117.841 0.30 . 1 . . . . . . . . 5970 1 137 . 1 1 25 25 THR CA C 13 58.514 0.30 . 1 . . . . . . . . 5970 1 138 . 1 1 25 25 THR CB C 13 69.976 0.30 . 1 . . . . . . . . 5970 1 139 . 1 1 25 25 THR HA H 1 4.681 0.03 . 1 . . . . . . . . 5970 1 140 . 1 1 25 25 THR HG21 H 1 1.261 0.03 . 1 . . . . . . . . 5970 1 141 . 1 1 25 25 THR HG22 H 1 1.261 0.03 . 1 . . . . . . . . 5970 1 142 . 1 1 25 25 THR HG23 H 1 1.261 0.03 . 1 . . . . . . . . 5970 1 143 . 1 1 25 25 THR H H 1 7.786 0.03 . 1 . . . . . . . . 5970 1 144 . 1 1 25 25 THR N N 15 118.362 0.30 . 1 . . . . . . . . 5970 1 145 . 1 1 26 26 THR CA C 13 64.42 0.30 . 1 . . . . . . . . 5970 1 146 . 1 1 26 26 THR CB C 13 67.43 0.30 . 1 . . . . . . . . 5970 1 147 . 1 1 26 26 THR HA H 1 3.772 0.03 . 1 . . . . . . . . 5970 1 148 . 1 1 26 26 THR HB H 1 3.778 0.03 . 1 . . . . . . . . 5970 1 149 . 1 1 26 26 THR HG21 H 1 1.223 0.03 . 1 . . . . . . . . 5970 1 150 . 1 1 26 26 THR HG22 H 1 1.223 0.03 . 1 . . . . . . . . 5970 1 151 . 1 1 26 26 THR HG23 H 1 1.223 0.03 . 1 . . . . . . . . 5970 1 152 . 1 1 26 26 THR H H 1 7.772 0.03 . 1 . . . . . . . . 5970 1 153 . 1 1 26 26 THR N N 15 115.457 0.30 . 1 . . . . . . . . 5970 1 154 . 1 1 27 27 GLU CA C 13 56.838 0.30 . 1 . . . . . . . . 5970 1 155 . 1 1 27 27 GLU CB C 13 28.599 0.30 . 1 . . . . . . . . 5970 1 156 . 1 1 27 27 GLU HA H 1 4.054 0.03 . 1 . . . . . . . . 5970 1 157 . 1 1 27 27 GLU HB2 H 1 1.889 0.03 . 1 . . . . . . . . 5970 1 158 . 1 1 27 27 GLU HG2 H 1 2.185 0.03 . 1 . . . . . . . . 5970 1 159 . 1 1 27 27 GLU H H 1 8.082 0.03 . 1 . . . . . . . . 5970 1 160 . 1 1 27 27 GLU N N 15 117.622 0.30 . 1 . . . . . . . . 5970 1 161 . 1 1 28 28 ARG CA C 13 52.381 0.30 . 1 . . . . . . . . 5970 1 162 . 1 1 28 28 ARG CB C 13 29.68 0.30 . 1 . . . . . . . . 5970 1 163 . 1 1 28 28 ARG HA H 1 4.703 0.03 . 1 . . . . . . . . 5970 1 164 . 1 1 28 28 ARG HB2 H 1 1.66 0.03 . 1 . . . . . . . . 5970 1 165 . 1 1 28 28 ARG H H 1 7.454 0.03 . 1 . . . . . . . . 5970 1 166 . 1 1 28 28 ARG N N 15 121.006 0.30 . 1 . . . . . . . . 5970 1 167 . 1 1 29 29 PRO CA C 13 62.51 0.30 . 1 . . . . . . . . 5970 1 168 . 1 1 29 29 PRO CB C 13 31.376 0.30 . 1 . . . . . . . . 5970 1 169 . 1 1 29 29 PRO HA H 1 4.722 0.03 . 1 . . . . . . . . 5970 1 170 . 1 1 29 29 PRO HB2 H 1 1.965 0.03 . 1 . . . . . . . . 5970 1 171 . 1 1 30 30 ARG CA C 13 53.329 0.30 . 1 . . . . . . . . 5970 1 172 . 1 1 30 30 ARG CB C 13 33.406 0.30 . 1 . . . . . . . . 5970 1 173 . 1 1 30 30 ARG HA H 1 4.914 0.03 . 1 . . . . . . . . 5970 1 174 . 1 1 30 30 ARG HB2 H 1 2.004 0.03 . 2 . . . . . . . . 5970 1 175 . 1 1 30 30 ARG HB3 H 1 1.142 0.03 . 2 . . . . . . . . 5970 1 176 . 1 1 30 30 ARG HD2 H 1 3.585 0.03 . 1 . . . . . . . . 5970 1 177 . 1 1 30 30 ARG H H 1 8.795 0.03 . 1 . . . . . . . . 5970 1 178 . 1 1 30 30 ARG N N 15 120.076 0.30 . 1 . . . . . . . . 5970 1 179 . 1 1 31 31 LEU CA C 13 52.435 0.30 . 1 . . . . . . . . 5970 1 180 . 1 1 31 31 LEU CB C 13 41.837 0.30 . 1 . . . . . . . . 5970 1 181 . 1 1 31 31 LEU CD1 C 13 12.379 0.30 . 1 . . . . . . . . 5970 1 182 . 1 1 31 31 LEU CD2 C 13 24.095 0.30 . 1 . . . . . . . . 5970 1 183 . 1 1 31 31 LEU HA H 1 4.96 0.03 . 1 . . . . . . . . 5970 1 184 . 1 1 31 31 LEU HB2 H 1 1.467 0.03 . 2 . . . . . . . . 5970 1 185 . 1 1 31 31 LEU HB3 H 1 0.796 0.03 . 2 . . . . . . . . 5970 1 186 . 1 1 31 31 LEU HD11 H 1 0.55 0.03 . 2 . . . . . . . . 5970 1 187 . 1 1 31 31 LEU HD12 H 1 0.55 0.03 . 2 . . . . . . . . 5970 1 188 . 1 1 31 31 LEU HD13 H 1 0.55 0.03 . 2 . . . . . . . . 5970 1 189 . 1 1 31 31 LEU HD21 H 1 0.105 0.03 . 2 . . . . . . . . 5970 1 190 . 1 1 31 31 LEU HD22 H 1 0.105 0.03 . 2 . . . . . . . . 5970 1 191 . 1 1 31 31 LEU HD23 H 1 0.105 0.03 . 2 . . . . . . . . 5970 1 192 . 1 1 31 31 LEU HG H 1 1.213 0.03 . 1 . . . . . . . . 5970 1 193 . 1 1 31 31 LEU H H 1 8.931 0.03 . 1 . . . . . . . . 5970 1 194 . 1 1 31 31 LEU N N 15 130.403 0.30 . 1 . . . . . . . . 5970 1 195 . 1 1 32 32 SER CA C 13 54.904 0.30 . 1 . . . . . . . . 5970 1 196 . 1 1 32 32 SER CB C 13 64.512 0.30 . 1 . . . . . . . . 5970 1 197 . 1 1 32 32 SER HA H 1 5.065 0.03 . 1 . . . . . . . . 5970 1 198 . 1 1 32 32 SER HB2 H 1 3.605 0.03 . 1 . . . . . . . . 5970 1 199 . 1 1 32 32 SER HG H 1 5.206 0.03 . 1 . . . . . . . . 5970 1 200 . 1 1 32 32 SER H H 1 9.286 0.03 . 1 . . . . . . . . 5970 1 201 . 1 1 32 32 SER N N 15 123.556 0.30 . 1 . . . . . . . . 5970 1 202 . 1 1 33 33 VAL CA C 13 58.46 0.30 . 1 . . . . . . . . 5970 1 203 . 1 1 33 33 VAL CB C 13 34.048 0.30 . 1 . . . . . . . . 5970 1 204 . 1 1 33 33 VAL CG1 C 13 20.839 0.30 . 1 . . . . . . . . 5970 1 205 . 1 1 33 33 VAL HA H 1 5.144 0.03 . 1 . . . . . . . . 5970 1 206 . 1 1 33 33 VAL HB H 1 1.912 0.03 . 1 . . . . . . . . 5970 1 207 . 1 1 33 33 VAL HG11 H 1 0.894 0.03 . 2 . . . . . . . . 5970 1 208 . 1 1 33 33 VAL HG12 H 1 0.894 0.03 . 2 . . . . . . . . 5970 1 209 . 1 1 33 33 VAL HG13 H 1 0.894 0.03 . 2 . . . . . . . . 5970 1 210 . 1 1 33 33 VAL HG21 H 1 0.936 0.03 . 2 . . . . . . . . 5970 1 211 . 1 1 33 33 VAL HG22 H 1 0.936 0.03 . 2 . . . . . . . . 5970 1 212 . 1 1 33 33 VAL HG23 H 1 0.936 0.03 . 2 . . . . . . . . 5970 1 213 . 1 1 33 33 VAL H H 1 7.856 0.03 . 1 . . . . . . . . 5970 1 214 . 1 1 33 33 VAL N N 15 122.577 0.30 . 1 . . . . . . . . 5970 1 215 . 1 1 34 34 PHE CA C 13 55.509 0.30 . 1 . . . . . . . . 5970 1 216 . 1 1 34 34 PHE CB C 13 40.421 0.30 . 1 . . . . . . . . 5970 1 217 . 1 1 34 34 PHE HA H 1 4.898 0.03 . 1 . . . . . . . . 5970 1 218 . 1 1 34 34 PHE HB2 H 1 2.874 0.03 . 2 . . . . . . . . 5970 1 219 . 1 1 34 34 PHE HB3 H 1 2.946 0.03 . 2 . . . . . . . . 5970 1 220 . 1 1 34 34 PHE HD1 H 1 6.845 0.03 . 1 . . . . . . . . 5970 1 221 . 1 1 34 34 PHE H H 1 8.669 0.03 . 1 . . . . . . . . 5970 1 222 . 1 1 34 34 PHE N N 15 123.904 0.30 . 1 . . . . . . . . 5970 1 223 . 1 1 35 35 ARG CA C 13 53.133 0.30 . 1 . . . . . . . . 5970 1 224 . 1 1 35 35 ARG CB C 13 32.117 0.30 . 1 . . . . . . . . 5970 1 225 . 1 1 35 35 ARG HA H 1 4.929 0.03 . 1 . . . . . . . . 5970 1 226 . 1 1 35 35 ARG HE H 1 6.869 0.03 . 1 . . . . . . . . 5970 1 227 . 1 1 35 35 ARG H H 1 7.934 0.03 . 1 . . . . . . . . 5970 1 228 . 1 1 35 35 ARG N N 15 123.066 0.30 . 1 . . . . . . . . 5970 1 229 . 1 1 36 36 SER CA C 13 55.268 0.30 . 1 . . . . . . . . 5970 1 230 . 1 1 36 36 SER CB C 13 64.766 0.30 . 1 . . . . . . . . 5970 1 231 . 1 1 36 36 SER HA H 1 4.696 0.03 . 1 . . . . . . . . 5970 1 232 . 1 1 36 36 SER HB2 H 1 4.25 0.03 . 2 . . . . . . . . 5970 1 233 . 1 1 36 36 SER HB3 H 1 3.836 0.03 . 2 . . . . . . . . 5970 1 234 . 1 1 36 36 SER HG H 1 5.003 0.03 . 1 . . . . . . . . 5970 1 235 . 1 1 36 36 SER H H 1 8.615 0.03 . 1 . . . . . . . . 5970 1 236 . 1 1 36 36 SER N N 15 119.964 0.30 . 1 . . . . . . . . 5970 1 237 . 1 1 37 37 ASN CA C 13 54.752 0.30 . 1 . . . . . . . . 5970 1 238 . 1 1 37 37 ASN CB C 13 36.543 0.30 . 1 . . . . . . . . 5970 1 239 . 1 1 37 37 ASN HA H 1 3.839 0.03 . 1 . . . . . . . . 5970 1 240 . 1 1 37 37 ASN HB2 H 1 2.506 0.03 . 2 . . . . . . . . 5970 1 241 . 1 1 37 37 ASN HB3 H 1 3.175 0.03 . 2 . . . . . . . . 5970 1 242 . 1 1 37 37 ASN HD21 H 1 7.572 0.03 . 2 . . . . . . . . 5970 1 243 . 1 1 37 37 ASN HD22 H 1 6.921 0.03 . 2 . . . . . . . . 5970 1 244 . 1 1 37 37 ASN ND2 N 15 114.015 0.30 . 1 . . . . . . . . 5970 1 245 . 1 1 38 38 LYS CA C 13 55.756 0.30 . 1 . . . . . . . . 5970 1 246 . 1 1 38 38 LYS CB C 13 32.977 0.30 . 1 . . . . . . . . 5970 1 247 . 1 1 38 38 LYS HA H 1 3.97 0.03 . 1 . . . . . . . . 5970 1 248 . 1 1 38 38 LYS HB2 H 1 1.353 0.03 . 2 . . . . . . . . 5970 1 249 . 1 1 38 38 LYS HB3 H 1 1.503 0.03 . 2 . . . . . . . . 5970 1 250 . 1 1 38 38 LYS HE2 H 1 2.827 0.03 . 1 . . . . . . . . 5970 1 251 . 1 1 38 38 LYS HG2 H 1 1.485 0.03 . 1 . . . . . . . . 5970 1 252 . 1 1 38 38 LYS H H 1 8.031 0.03 . 1 . . . . . . . . 5970 1 253 . 1 1 38 38 LYS N N 15 115.93 0.30 . 1 . . . . . . . . 5970 1 254 . 1 1 39 39 HIS CA C 13 54.557 0.30 . 1 . . . . . . . . 5970 1 255 . 1 1 39 39 HIS CB C 13 35.065 0.30 . 1 . . . . . . . . 5970 1 256 . 1 1 39 39 HIS HA H 1 4.768 0.03 . 1 . . . . . . . . 5970 1 257 . 1 1 39 39 HIS HB2 H 1 2.651 0.03 . 2 . . . . . . . . 5970 1 258 . 1 1 39 39 HIS HB3 H 1 2.308 0.03 . 2 . . . . . . . . 5970 1 259 . 1 1 39 39 HIS HD1 H 1 6.853 0.03 . 1 . . . . . . . . 5970 1 260 . 1 1 39 39 HIS HE1 H 1 8.002 0.03 . 1 . . . . . . . . 5970 1 261 . 1 1 39 39 HIS H H 1 7.579 0.03 . 1 . . . . . . . . 5970 1 262 . 1 1 39 39 HIS N N 15 118.177 0.30 . 1 . . . . . . . . 5970 1 263 . 1 1 40 40 ILE CA C 13 60.137 0.30 . 1 . . . . . . . . 5970 1 264 . 1 1 40 40 ILE CB C 13 40.809 0.30 . 1 . . . . . . . . 5970 1 265 . 1 1 40 40 ILE HA H 1 4.671 0.03 . 1 . . . . . . . . 5970 1 266 . 1 1 40 40 ILE HD11 H 1 0.571 0.03 . 1 . . . . . . . . 5970 1 267 . 1 1 40 40 ILE HD12 H 1 0.571 0.03 . 1 . . . . . . . . 5970 1 268 . 1 1 40 40 ILE HD13 H 1 0.571 0.03 . 1 . . . . . . . . 5970 1 269 . 1 1 40 40 ILE HG12 H 1 1.402 0.03 . 2 . . . . . . . . 5970 1 270 . 1 1 40 40 ILE HG13 H 1 1.676 0.03 . 2 . . . . . . . . 5970 1 271 . 1 1 40 40 ILE HG21 H 1 0.795 0.03 . 1 . . . . . . . . 5970 1 272 . 1 1 40 40 ILE HG22 H 1 0.795 0.03 . 1 . . . . . . . . 5970 1 273 . 1 1 40 40 ILE HG23 H 1 0.795 0.03 . 1 . . . . . . . . 5970 1 274 . 1 1 40 40 ILE H H 1 8.011 0.03 . 1 . . . . . . . . 5970 1 275 . 1 1 40 40 ILE N N 15 120.404 0.30 . 1 . . . . . . . . 5970 1 276 . 1 1 41 41 TYR CA C 13 55.37 0.30 . 1 . . . . . . . . 5970 1 277 . 1 1 41 41 TYR CB C 13 40.416 0.30 . 1 . . . . . . . . 5970 1 278 . 1 1 41 41 TYR HA H 1 4.684 0.03 . 1 . . . . . . . . 5970 1 279 . 1 1 41 41 TYR HB2 H 1 2.717 0.03 . 2 . . . . . . . . 5970 1 280 . 1 1 41 41 TYR HB3 H 1 2.193 0.03 . 2 . . . . . . . . 5970 1 281 . 1 1 41 41 TYR HD1 H 1 6.919 0.03 . 1 . . . . . . . . 5970 1 282 . 1 1 41 41 TYR HE1 H 1 6.541 0.03 . 1 . . . . . . . . 5970 1 283 . 1 1 41 41 TYR H H 1 8.592 0.03 . 1 . . . . . . . . 5970 1 284 . 1 1 41 41 TYR N N 15 124.059 0.30 . 1 . . . . . . . . 5970 1 285 . 1 1 42 42 ALA CA C 13 49.022 0.30 . 1 . . . . . . . . 5970 1 286 . 1 1 42 42 ALA CB C 13 21.831 0.30 . 1 . . . . . . . . 5970 1 287 . 1 1 42 42 ALA HA H 1 5.416 0.03 . 1 . . . . . . . . 5970 1 288 . 1 1 42 42 ALA HB1 H 1 1.124 0.03 . 1 . . . . . . . . 5970 1 289 . 1 1 42 42 ALA HB2 H 1 1.124 0.03 . 1 . . . . . . . . 5970 1 290 . 1 1 42 42 ALA HB3 H 1 1.124 0.03 . 1 . . . . . . . . 5970 1 291 . 1 1 42 42 ALA H H 1 8.963 0.03 . 1 . . . . . . . . 5970 1 292 . 1 1 42 42 ALA N N 15 122.269 0.30 . 1 . . . . . . . . 5970 1 293 . 1 1 43 43 GLN CA C 13 53.03 0.30 . 1 . . . . . . . . 5970 1 294 . 1 1 43 43 GLN CB C 13 31.825 0.30 . 1 . . . . . . . . 5970 1 295 . 1 1 43 43 GLN CG C 13 32.525 0.30 . 1 . . . . . . . . 5970 1 296 . 1 1 43 43 GLN HA H 1 4.913 0.03 . 1 . . . . . . . . 5970 1 297 . 1 1 43 43 GLN HB2 H 1 2.258 0.03 . 2 . . . . . . . . 5970 1 298 . 1 1 43 43 GLN HB3 H 1 1.933 0.03 . 2 . . . . . . . . 5970 1 299 . 1 1 43 43 GLN H H 1 8.886 0.03 . 1 . . . . . . . . 5970 1 300 . 1 1 43 43 GLN N N 15 119.073 0.30 . 1 . . . . . . . . 5970 1 301 . 1 1 44 44 ILE CA C 13 58.273 0.30 . 1 . . . . . . . . 5970 1 302 . 1 1 44 44 ILE CB C 13 36.701 0.30 . 1 . . . . . . . . 5970 1 303 . 1 1 44 44 ILE CD1 C 13 16.922 0.30 . 1 . . . . . . . . 5970 1 304 . 1 1 44 44 ILE CG1 C 13 27.322 0.30 . 1 . . . . . . . . 5970 1 305 . 1 1 44 44 ILE CG2 C 13 17.409 0.30 . 1 . . . . . . . . 5970 1 306 . 1 1 44 44 ILE HA H 1 5.188 0.03 . 1 . . . . . . . . 5970 1 307 . 1 1 44 44 ILE HB H 1 1.556 0.03 . 1 . . . . . . . . 5970 1 308 . 1 1 44 44 ILE HD11 H 1 0.927 0.03 . 1 . . . . . . . . 5970 1 309 . 1 1 44 44 ILE HD12 H 1 0.927 0.03 . 1 . . . . . . . . 5970 1 310 . 1 1 44 44 ILE HD13 H 1 0.927 0.03 . 1 . . . . . . . . 5970 1 311 . 1 1 44 44 ILE HG12 H 1 1.267 0.03 . 2 . . . . . . . . 5970 1 312 . 1 1 44 44 ILE HG13 H 1 0.688 0.03 . 2 . . . . . . . . 5970 1 313 . 1 1 44 44 ILE HG21 H 1 0.649 0.03 . 1 . . . . . . . . 5970 1 314 . 1 1 44 44 ILE HG22 H 1 0.649 0.03 . 1 . . . . . . . . 5970 1 315 . 1 1 44 44 ILE HG23 H 1 0.649 0.03 . 1 . . . . . . . . 5970 1 316 . 1 1 44 44 ILE H H 1 8.535 0.03 . 1 . . . . . . . . 5970 1 317 . 1 1 44 44 ILE N N 15 122.227 0.30 . 1 . . . . . . . . 5970 1 318 . 1 1 45 45 ILE CA C 13 59.586 0.30 . 1 . . . . . . . . 5970 1 319 . 1 1 45 45 ILE CB C 13 41.906 0.30 . 1 . . . . . . . . 5970 1 320 . 1 1 45 45 ILE CD1 C 13 15.62 0.30 . 1 . . . . . . . . 5970 1 321 . 1 1 45 45 ILE CG2 C 13 12.731 0.30 . 1 . . . . . . . . 5970 1 322 . 1 1 45 45 ILE HA H 1 4.568 0.03 . 1 . . . . . . . . 5970 1 323 . 1 1 45 45 ILE HB H 1 1.432 0.03 . 1 . . . . . . . . 5970 1 324 . 1 1 45 45 ILE HD11 H 1 0.507 0.03 . 1 . . . . . . . . 5970 1 325 . 1 1 45 45 ILE HD12 H 1 0.507 0.03 . 1 . . . . . . . . 5970 1 326 . 1 1 45 45 ILE HD13 H 1 0.507 0.03 . 1 . . . . . . . . 5970 1 327 . 1 1 45 45 ILE HG12 H 1 1.263 0.03 . 2 . . . . . . . . 5970 1 328 . 1 1 45 45 ILE HG13 H 1 0.668 0.03 . 2 . . . . . . . . 5970 1 329 . 1 1 45 45 ILE HG21 H 1 0.694 0.03 . 1 . . . . . . . . 5970 1 330 . 1 1 45 45 ILE HG22 H 1 0.694 0.03 . 1 . . . . . . . . 5970 1 331 . 1 1 45 45 ILE HG23 H 1 0.694 0.03 . 1 . . . . . . . . 5970 1 332 . 1 1 45 45 ILE H H 1 9.69 0.03 . 1 . . . . . . . . 5970 1 333 . 1 1 45 45 ILE N N 15 130.403 0.30 . 1 . . . . . . . . 5970 1 334 . 1 1 46 46 ASP CA C 13 50.405 0.30 . 1 . . . . . . . . 5970 1 335 . 1 1 46 46 ASP CB C 13 39.787 0.30 . 1 . . . . . . . . 5970 1 336 . 1 1 46 46 ASP HA H 1 4.309 0.03 . 1 . . . . . . . . 5970 1 337 . 1 1 46 46 ASP HB2 H 1 2.776 0.03 . 2 . . . . . . . . 5970 1 338 . 1 1 46 46 ASP HB3 H 1 2.324 0.03 . 2 . . . . . . . . 5970 1 339 . 1 1 46 46 ASP H H 1 8.638 0.03 . 1 . . . . . . . . 5970 1 340 . 1 1 46 46 ASP N N 15 126.255 0.30 . 1 . . . . . . . . 5970 1 341 . 1 1 47 47 ASP CA C 13 56.145 0.30 . 1 . . . . . . . . 5970 1 342 . 1 1 47 47 ASP CB C 13 39.803 0.30 . 1 . . . . . . . . 5970 1 343 . 1 1 47 47 ASP HA H 1 4.318 0.03 . 1 . . . . . . . . 5970 1 344 . 1 1 47 47 ASP HB2 H 1 2.22 0.03 . 2 . . . . . . . . 5970 1 345 . 1 1 47 47 ASP HB3 H 1 2.139 0.03 . 2 . . . . . . . . 5970 1 346 . 1 1 47 47 ASP H H 1 8.059 0.03 . 1 . . . . . . . . 5970 1 347 . 1 1 47 47 ASP N N 15 126.237 0.30 . 1 . . . . . . . . 5970 1 348 . 1 1 48 48 THR CA C 13 63.685 0.30 . 1 . . . . . . . . 5970 1 349 . 1 1 48 48 THR CB C 13 67.397 0.30 . 1 . . . . . . . . 5970 1 350 . 1 1 48 48 THR CG2 C 13 21.516 0.30 . 1 . . . . . . . . 5970 1 351 . 1 1 48 48 THR HA H 1 4.232 0.03 . 1 . . . . . . . . 5970 1 352 . 1 1 48 48 THR HB H 1 4.305 0.03 . 1 . . . . . . . . 5970 1 353 . 1 1 48 48 THR HG1 H 1 4.656 0.03 . 1 . . . . . . . . 5970 1 354 . 1 1 48 48 THR HG21 H 1 1.438 0.03 . 1 . . . . . . . . 5970 1 355 . 1 1 48 48 THR HG22 H 1 1.438 0.03 . 1 . . . . . . . . 5970 1 356 . 1 1 48 48 THR HG23 H 1 1.438 0.03 . 1 . . . . . . . . 5970 1 357 . 1 1 48 48 THR H H 1 8.442 0.03 . 1 . . . . . . . . 5970 1 358 . 1 1 48 48 THR N N 15 115.435 0.30 . 1 . . . . . . . . 5970 1 359 . 1 1 49 49 LYS CA C 13 54.058 0.30 . 1 . . . . . . . . 5970 1 360 . 1 1 49 49 LYS CB C 13 32.954 0.30 . 1 . . . . . . . . 5970 1 361 . 1 1 49 49 LYS HA H 1 4.369 0.03 . 1 . . . . . . . . 5970 1 362 . 1 1 49 49 LYS HB2 H 1 1.885 0.03 . 2 . . . . . . . . 5970 1 363 . 1 1 49 49 LYS HB3 H 1 1.191 0.03 . 2 . . . . . . . . 5970 1 364 . 1 1 49 49 LYS HG2 H 1 1.474 0.03 . 1 . . . . . . . . 5970 1 365 . 1 1 49 49 LYS H H 1 6.662 0.03 . 1 . . . . . . . . 5970 1 366 . 1 1 49 49 LYS N N 15 119.952 0.30 . 1 . . . . . . . . 5970 1 367 . 1 1 50 50 SER CA C 13 56.998 0.30 . 1 . . . . . . . . 5970 1 368 . 1 1 50 50 SER CB C 13 60.276 0.30 . 1 . . . . . . . . 5970 1 369 . 1 1 50 50 SER HA H 1 3.897 0.03 . 1 . . . . . . . . 5970 1 370 . 1 1 50 50 SER HB2 H 1 3.915 0.03 . 2 . . . . . . . . 5970 1 371 . 1 1 50 50 SER HB3 H 1 3.841 0.03 . 2 . . . . . . . . 5970 1 372 . 1 1 50 50 SER H H 1 7.533 0.30 . 1 . . . . . . . . 5970 1 373 . 1 1 50 50 SER N N 15 116.038 0.30 . 1 . . . . . . . . 5970 1 374 . 1 1 51 51 ALA CA C 13 49.149 0.30 . 1 . . . . . . . . 5970 1 375 . 1 1 51 51 ALA CB C 13 21.407 0.30 . 1 . . . . . . . . 5970 1 376 . 1 1 51 51 ALA HA H 1 4.68 0.03 . 1 . . . . . . . . 5970 1 377 . 1 1 51 51 ALA HB1 H 1 1.115 0.03 . 1 . . . . . . . . 5970 1 378 . 1 1 51 51 ALA HB2 H 1 1.115 0.03 . 1 . . . . . . . . 5970 1 379 . 1 1 51 51 ALA HB3 H 1 1.115 0.03 . 1 . . . . . . . . 5970 1 380 . 1 1 51 51 ALA H H 1 7.593 0.03 . 1 . . . . . . . . 5970 1 381 . 1 1 51 51 ALA N N 15 120.797 0.30 . 1 . . . . . . . . 5970 1 382 . 1 1 52 52 THR CA C 13 61.888 0.30 . 1 . . . . . . . . 5970 1 383 . 1 1 52 52 THR CB C 13 67.042 0.30 . 1 . . . . . . . . 5970 1 384 . 1 1 52 52 THR HA H 1 4.202 0.03 . 1 . . . . . . . . 5970 1 385 . 1 1 52 52 THR HB H 1 3.904 0.03 . 1 . . . . . . . . 5970 1 386 . 1 1 52 52 THR HG21 H 1 0.773 0.03 . 1 . . . . . . . . 5970 1 387 . 1 1 52 52 THR HG22 H 1 0.773 0.03 . 1 . . . . . . . . 5970 1 388 . 1 1 52 52 THR HG23 H 1 0.773 0.03 . 1 . . . . . . . . 5970 1 389 . 1 1 52 52 THR H H 1 8.813 0.03 . 1 . . . . . . . . 5970 1 390 . 1 1 52 52 THR N N 15 122.262 0.30 . 1 . . . . . . . . 5970 1 391 . 1 1 53 53 ILE CA C 13 61.895 0.30 . 1 . . . . . . . . 5970 1 392 . 1 1 53 53 ILE CB C 13 38.01 0.30 . 1 . . . . . . . . 5970 1 393 . 1 1 53 53 ILE HA H 1 3.921 0.03 . 1 . . . . . . . . 5970 1 394 . 1 1 53 53 ILE HB H 1 1.52 0.03 . 1 . . . . . . . . 5970 1 395 . 1 1 53 53 ILE HD11 H 1 0.716 0.03 . 1 . . . . . . . . 5970 1 396 . 1 1 53 53 ILE HD12 H 1 0.716 0.03 . 1 . . . . . . . . 5970 1 397 . 1 1 53 53 ILE HD13 H 1 0.716 0.03 . 1 . . . . . . . . 5970 1 398 . 1 1 53 53 ILE HG12 H 1 0.864 0.03 . 2 . . . . . . . . 5970 1 399 . 1 1 53 53 ILE HG13 H 1 1.134 0.03 . 2 . . . . . . . . 5970 1 400 . 1 1 53 53 ILE HG21 H 1 0.971 0.03 . 1 . . . . . . . . 5970 1 401 . 1 1 53 53 ILE HG22 H 1 0.971 0.03 . 1 . . . . . . . . 5970 1 402 . 1 1 53 53 ILE HG23 H 1 0.971 0.03 . 1 . . . . . . . . 5970 1 403 . 1 1 53 53 ILE H H 1 9.363 0.03 . 1 . . . . . . . . 5970 1 404 . 1 1 53 53 ILE N N 15 129.973 0.30 . 1 . . . . . . . . 5970 1 405 . 1 1 54 54 VAL CA C 13 58.41 0.30 . 1 . . . . . . . . 5970 1 406 . 1 1 54 54 VAL CB C 13 35.776 0.30 . 1 . . . . . . . . 5970 1 407 . 1 1 54 54 VAL CG2 C 13 19.012 0.30 . 1 . . . . . . . . 5970 1 408 . 1 1 54 54 VAL HA H 1 4.57 0.03 . 1 . . . . . . . . 5970 1 409 . 1 1 54 54 VAL HB H 1 1.835 0.03 . 1 . . . . . . . . 5970 1 410 . 1 1 54 54 VAL HG11 H 1 0.912 0.03 . 2 . . . . . . . . 5970 1 411 . 1 1 54 54 VAL HG12 H 1 0.912 0.03 . 2 . . . . . . . . 5970 1 412 . 1 1 54 54 VAL HG13 H 1 0.912 0.03 . 2 . . . . . . . . 5970 1 413 . 1 1 54 54 VAL HG21 H 1 0.642 0.03 . 2 . . . . . . . . 5970 1 414 . 1 1 54 54 VAL HG22 H 1 0.642 0.03 . 2 . . . . . . . . 5970 1 415 . 1 1 54 54 VAL HG23 H 1 0.642 0.03 . 2 . . . . . . . . 5970 1 416 . 1 1 54 54 VAL H H 1 7.142 0.03 . 1 . . . . . . . . 5970 1 417 . 1 1 54 54 VAL N N 15 111.163 0.30 . 1 . . . . . . . . 5970 1 418 . 1 1 55 55 SER CA C 13 56.279 0.30 . 1 . . . . . . . . 5970 1 419 . 1 1 55 55 SER CB C 13 65.165 0.30 . 1 . . . . . . . . 5970 1 420 . 1 1 55 55 SER HA H 1 5.08 0.03 . 1 . . . . . . . . 5970 1 421 . 1 1 55 55 SER HB2 H 1 3.781 0.03 . 2 . . . . . . . . 5970 1 422 . 1 1 55 55 SER HB3 H 1 3.9 0.03 . 2 . . . . . . . . 5970 1 423 . 1 1 55 55 SER H H 1 8.482 0.03 . 1 . . . . . . . . 5970 1 424 . 1 1 55 55 SER N N 15 116.585 0.30 . 1 . . . . . . . . 5970 1 425 . 1 1 56 56 ALA CA C 13 50.88 0.30 . 1 . . . . . . . . 5970 1 426 . 1 1 56 56 ALA CB C 13 23.211 0.30 . 1 . . . . . . . . 5970 1 427 . 1 1 56 56 ALA HA H 1 4.725 0.03 . 1 . . . . . . . . 5970 1 428 . 1 1 56 56 ALA HB1 H 1 1.319 0.03 . 1 . . . . . . . . 5970 1 429 . 1 1 56 56 ALA HB2 H 1 1.319 0.03 . 1 . . . . . . . . 5970 1 430 . 1 1 56 56 ALA HB3 H 1 1.319 0.03 . 1 . . . . . . . . 5970 1 431 . 1 1 56 56 ALA H H 1 8.985 0.03 . 1 . . . . . . . . 5970 1 432 . 1 1 56 56 ALA N N 15 121.829 0.30 . 1 . . . . . . . . 5970 1 433 . 1 1 57 57 SER CA C 13 56.516 0.30 . 1 . . . . . . . . 5970 1 434 . 1 1 57 57 SER CB C 13 67.156 0.30 . 1 . . . . . . . . 5970 1 435 . 1 1 57 57 SER HA H 1 5.081 0.03 . 1 . . . . . . . . 5970 1 436 . 1 1 57 57 SER HB2 H 1 3.946 0.03 . 2 . . . . . . . . 5970 1 437 . 1 1 57 57 SER HB3 H 1 3.347 0.03 . 2 . . . . . . . . 5970 1 438 . 1 1 57 57 SER HG H 1 3.762 0.03 . 1 . . . . . . . . 5970 1 439 . 1 1 57 57 SER H H 1 8.054 0.03 . 1 . . . . . . . . 5970 1 440 . 1 1 57 57 SER N N 15 113.739 0.30 . 1 . . . . . . . . 5970 1 441 . 1 1 58 58 THR CA C 13 61.295 0.30 . 1 . . . . . . . . 5970 1 442 . 1 1 58 58 THR CB C 13 65.244 0.30 . 1 . . . . . . . . 5970 1 443 . 1 1 58 58 THR HA H 1 2.782 0.03 . 1 . . . . . . . . 5970 1 444 . 1 1 58 58 THR HB H 1 3.98 0.03 . 1 . . . . . . . . 5970 1 445 . 1 1 58 58 THR HG1 H 1 0.699 0.03 . 1 . . . . . . . . 5970 1 446 . 1 1 58 58 THR HG21 H 1 0.847 0.03 . 1 . . . . . . . . 5970 1 447 . 1 1 58 58 THR HG22 H 1 0.847 0.03 . 1 . . . . . . . . 5970 1 448 . 1 1 58 58 THR HG23 H 1 0.847 0.03 . 1 . . . . . . . . 5970 1 449 . 1 1 58 58 THR H H 1 7.625 0.03 . 1 . . . . . . . . 5970 1 450 . 1 1 58 58 THR N N 15 109.16 0.30 . 1 . . . . . . . . 5970 1 451 . 1 1 59 59 LEU CA C 13 53.506 0.30 . 1 . . . . . . . . 5970 1 452 . 1 1 59 59 LEU CB C 13 41.292 0.30 . 1 . . . . . . . . 5970 1 453 . 1 1 59 59 LEU CD2 C 13 24.147 0.30 . 1 . . . . . . . . 5970 1 454 . 1 1 59 59 LEU HA H 1 4.103 0.03 . 1 . . . . . . . . 5970 1 455 . 1 1 59 59 LEU HB2 H 1 1.359 0.03 . 2 . . . . . . . . 5970 1 456 . 1 1 59 59 LEU HB3 H 1 1.092 0.03 . 2 . . . . . . . . 5970 1 457 . 1 1 59 59 LEU HD11 H 1 0.66 0.03 . 2 . . . . . . . . 5970 1 458 . 1 1 59 59 LEU HD12 H 1 0.66 0.03 . 2 . . . . . . . . 5970 1 459 . 1 1 59 59 LEU HD13 H 1 0.66 0.03 . 2 . . . . . . . . 5970 1 460 . 1 1 59 59 LEU HD21 H 1 0.384 0.03 . 2 . . . . . . . . 5970 1 461 . 1 1 59 59 LEU HD22 H 1 0.384 0.03 . 2 . . . . . . . . 5970 1 462 . 1 1 59 59 LEU HD23 H 1 0.384 0.03 . 2 . . . . . . . . 5970 1 463 . 1 1 59 59 LEU H H 1 7.579 0.03 . 1 . . . . . . . . 5970 1 464 . 1 1 59 59 LEU N N 15 119.955 0.30 . 1 . . . . . . . . 5970 1 465 . 1 1 60 60 ASP CA C 13 53.885 0.30 . 1 . . . . . . . . 5970 1 466 . 1 1 60 60 ASP CB C 13 41.031 0.30 . 1 . . . . . . . . 5970 1 467 . 1 1 60 60 ASP HA H 1 4.341 0.03 . 1 . . . . . . . . 5970 1 468 . 1 1 60 60 ASP HB2 H 1 2.889 0.03 . 1 . . . . . . . . 5970 1 469 . 1 1 60 60 ASP H H 1 7.181 0.03 . 1 . . . . . . . . 5970 1 470 . 1 1 60 60 ASP N N 15 123.243 0.30 . 1 . . . . . . . . 5970 1 471 . 1 1 61 61 LYS CA C 13 57.614 0.30 . 1 . . . . . . . . 5970 1 472 . 1 1 61 61 LYS CB C 13 30.844 0.30 . 1 . . . . . . . . 5970 1 473 . 1 1 61 61 LYS HA H 1 4.082 0.03 . 1 . . . . . . . . 5970 1 474 . 1 1 61 61 LYS HB2 H 1 1.82 0.03 . 1 . . . . . . . . 5970 1 475 . 1 1 61 61 LYS HE2 H 1 2.882 0.03 . 1 . . . . . . . . 5970 1 476 . 1 1 61 61 LYS H H 1 8.853 0.03 . 1 . . . . . . . . 5970 1 477 . 1 1 61 61 LYS N N 15 126.104 0.30 . 1 . . . . . . . . 5970 1 478 . 1 1 62 62 GLU CA C 13 56.26 0.30 . 1 . . . . . . . . 5970 1 479 . 1 1 62 62 GLU CB C 13 28.172 0.30 . 1 . . . . . . . . 5970 1 480 . 1 1 62 62 GLU HA H 1 4.065 0.03 . 1 . . . . . . . . 5970 1 481 . 1 1 62 62 GLU HB2 H 1 1.712 0.03 . 2 . . . . . . . . 5970 1 482 . 1 1 62 62 GLU HB3 H 1 1.943 0.03 . 2 . . . . . . . . 5970 1 483 . 1 1 62 62 GLU HG2 H 1 2.154 0.03 . 1 . . . . . . . . 5970 1 484 . 1 1 62 62 GLU H H 1 9.07 0.03 . 1 . . . . . . . . 5970 1 485 . 1 1 62 62 GLU N N 15 118.118 0.30 . 1 . . . . . . . . 5970 1 486 . 1 1 63 63 PHE CA C 13 59.091 0.30 . 1 . . . . . . . . 5970 1 487 . 1 1 63 63 PHE CB C 13 37.994 0.30 . 1 . . . . . . . . 5970 1 488 . 1 1 63 63 PHE HA H 1 4.086 0.03 . 1 . . . . . . . . 5970 1 489 . 1 1 63 63 PHE HB2 H 1 3.205 0.03 . 2 . . . . . . . . 5970 1 490 . 1 1 63 63 PHE HB3 H 1 2.954 0.03 . 2 . . . . . . . . 5970 1 491 . 1 1 63 63 PHE HD1 H 1 7.099 0.03 . 1 . . . . . . . . 5970 1 492 . 1 1 63 63 PHE HE1 H 1 7.4 0.03 . 1 . . . . . . . . 5970 1 493 . 1 1 63 63 PHE H H 1 7.802 0.03 . 1 . . . . . . . . 5970 1 494 . 1 1 63 63 PHE N N 15 120.853 0.30 . 1 . . . . . . . . 5970 1 495 . 1 1 64 64 GLY CA C 13 44.952 0.30 . 1 . . . . . . . . 5970 1 496 . 1 1 64 64 GLY HA2 H 1 4.073 0.03 . 1 . . . . . . . . 5970 1 497 . 1 1 64 64 GLY HA3 H 1 3.64 0.03 . 1 . . . . . . . . 5970 1 498 . 1 1 64 64 GLY H H 1 8.116 0.03 . 1 . . . . . . . . 5970 1 499 . 1 1 64 64 GLY N N 15 108.954 0.30 . 1 . . . . . . . . 5970 1 500 . 1 1 65 65 LEU CA C 13 52.912 0.30 . 1 . . . . . . . . 5970 1 501 . 1 1 65 65 LEU CB C 13 41.017 0.30 . 1 . . . . . . . . 5970 1 502 . 1 1 66 66 ASP CA C 13 53.858 0.30 . 1 . . . . . . . . 5970 1 503 . 1 1 66 66 ASP CB C 13 40.047 0.30 . 1 . . . . . . . . 5970 1 504 . 1 1 66 66 ASP HA H 1 4.46 0.03 . 1 . . . . . . . . 5970 1 505 . 1 1 66 66 ASP HB2 H 1 2.639 0.03 . 1 . . . . . . . . 5970 1 506 . 1 1 66 66 ASP H H 1 8.236 0.03 . 1 . . . . . . . . 5970 1 507 . 1 1 66 66 ASP N N 15 119.924 0.30 . 1 . . . . . . . . 5970 1 508 . 1 1 67 67 SER CA C 13 56.56 0.30 . 1 . . . . . . . . 5970 1 509 . 1 1 67 67 SER CB C 13 63.02 0.30 . 1 . . . . . . . . 5970 1 510 . 1 1 67 67 SER HA H 1 4.613 0.03 . 1 . . . . . . . . 5970 1 511 . 1 1 67 67 SER HB2 H 1 3.757 0.03 . 2 . . . . . . . . 5970 1 512 . 1 1 67 67 SER HB3 H 1 3.715 0.03 . 2 . . . . . . . . 5970 1 513 . 1 1 67 67 SER H H 1 7.672 0.03 . 1 . . . . . . . . 5970 1 514 . 1 1 67 67 SER N N 15 114.319 0.30 . 1 . . . . . . . . 5970 1 515 . 1 1 68 68 THR CA C 13 60.841 0.30 . 1 . . . . . . . . 5970 1 516 . 1 1 68 68 THR CB C 13 68.437 0.30 . 1 . . . . . . . . 5970 1 517 . 1 1 68 68 THR HA H 1 4.318 0.03 . 1 . . . . . . . . 5970 1 518 . 1 1 68 68 THR HB H 1 4.049 0.03 . 1 . . . . . . . . 5970 1 519 . 1 1 68 68 THR HG21 H 1 1.111 0.03 . 1 . . . . . . . . 5970 1 520 . 1 1 68 68 THR HG22 H 1 1.111 0.03 . 1 . . . . . . . . 5970 1 521 . 1 1 68 68 THR HG23 H 1 1.111 0.03 . 1 . . . . . . . . 5970 1 522 . 1 1 68 68 THR H H 1 8.208 0.03 . 1 . . . . . . . . 5970 1 523 . 1 1 68 68 THR N N 15 112.362 0.30 . 1 . . . . . . . . 5970 1 524 . 1 1 69 69 ASN CA C 13 51.207 0.30 . 1 . . . . . . . . 5970 1 525 . 1 1 69 69 ASN CB C 13 37.63 0.30 . 1 . . . . . . . . 5970 1 526 . 1 1 69 69 ASN HA H 1 4.556 0.03 . 1 . . . . . . . . 5970 1 527 . 1 1 69 69 ASN HB2 H 1 2.515 0.03 . 2 . . . . . . . . 5970 1 528 . 1 1 69 69 ASN HB3 H 1 2.775 0.03 . 2 . . . . . . . . 5970 1 529 . 1 1 69 69 ASN HD21 H 1 7.361 0.03 . 2 . . . . . . . . 5970 1 530 . 1 1 69 69 ASN HD22 H 1 6.727 0.03 . 2 . . . . . . . . 5970 1 531 . 1 1 69 69 ASN H H 1 7.884 0.03 . 1 . . . . . . . . 5970 1 532 . 1 1 69 69 ASN N N 15 118.753 0.30 . 1 . . . . . . . . 5970 1 533 . 1 1 69 69 ASN ND2 N 15 112.287 0.30 . 1 . . . . . . . . 5970 1 534 . 1 1 70 70 ASN CA C 13 50.243 0.30 . 1 . . . . . . . . 5970 1 535 . 1 1 70 70 ASN CB C 13 38.415 0.30 . 1 . . . . . . . . 5970 1 536 . 1 1 70 70 ASN HA H 1 4.635 0.03 . 1 . . . . . . . . 5970 1 537 . 1 1 70 70 ASN HD21 H 1 7.529 0.03 . 2 . . . . . . . . 5970 1 538 . 1 1 70 70 ASN HD22 H 1 6.874 0.03 . 2 . . . . . . . . 5970 1 539 . 1 1 70 70 ASN H H 1 7.304 0.03 . 1 . . . . . . . . 5970 1 540 . 1 1 70 70 ASN N N 15 118.078 0.30 . 1 . . . . . . . . 5970 1 541 . 1 1 70 70 ASN ND2 N 15 112.201 0.30 . 1 . . . . . . . . 5970 1 542 . 1 1 71 71 ILE CA C 13 62.85 0.30 . 1 . . . . . . . . 5970 1 543 . 1 1 71 71 ILE CB C 13 35.234 0.30 . 1 . . . . . . . . 5970 1 544 . 1 1 71 71 ILE CD1 C 13 9.842 0.30 . 1 . . . . . . . . 5970 1 545 . 1 1 71 71 ILE CG2 C 13 15.807 0.30 . 1 . . . . . . . . 5970 1 546 . 1 1 71 71 ILE HA H 1 3.547 0.03 . 1 . . . . . . . . 5970 1 547 . 1 1 71 71 ILE HB H 1 1.876 0.03 . 1 . . . . . . . . 5970 1 548 . 1 1 71 71 ILE HD11 H 1 0.6 0.03 . 1 . . . . . . . . 5970 1 549 . 1 1 71 71 ILE HD12 H 1 0.6 0.03 . 1 . . . . . . . . 5970 1 550 . 1 1 71 71 ILE HD13 H 1 0.6 0.03 . 1 . . . . . . . . 5970 1 551 . 1 1 71 71 ILE HG12 H 1 1.453 0.03 . 2 . . . . . . . . 5970 1 552 . 1 1 71 71 ILE HG13 H 1 1.211 0.03 . 2 . . . . . . . . 5970 1 553 . 1 1 71 71 ILE HG21 H 1 0.698 0.03 . 1 . . . . . . . . 5970 1 554 . 1 1 71 71 ILE HG22 H 1 0.698 0.03 . 1 . . . . . . . . 5970 1 555 . 1 1 71 71 ILE HG23 H 1 0.698 0.03 . 1 . . . . . . . . 5970 1 556 . 1 1 71 71 ILE H H 1 8.124 0.30 . 1 . . . . . . . . 5970 1 557 . 1 1 71 71 ILE N N 15 121.965 0.30 . 1 . . . . . . . . 5970 1 558 . 1 1 72 72 GLU CA C 13 58.828 0.30 . 1 . . . . . . . . 5970 1 559 . 1 1 72 72 GLU CB C 13 27.468 0.30 . 1 . . . . . . . . 5970 1 560 . 1 1 72 72 GLU HA H 1 3.738 0.03 . 1 . . . . . . . . 5970 1 561 . 1 1 72 72 GLU HB2 H 1 1.873 0.03 . 1 . . . . . . . . 5970 1 562 . 1 1 72 72 GLU HG2 H 1 2.27 0.03 . 1 . . . . . . . . 5970 1 563 . 1 1 72 72 GLU H H 1 8.252 0.03 . 1 . . . . . . . . 5970 1 564 . 1 1 72 72 GLU N N 15 121.634 0.30 . 1 . . . . . . . . 5970 1 565 . 1 1 73 73 ALA CA C 13 53.805 0.30 . 1 . . . . . . . . 5970 1 566 . 1 1 73 73 ALA CB C 13 17.968 0.30 . 1 . . . . . . . . 5970 1 567 . 1 1 73 73 ALA HA H 1 4.383 0.03 . 1 . . . . . . . . 5970 1 568 . 1 1 73 73 ALA HB1 H 1 1.514 0.03 . 1 . . . . . . . . 5970 1 569 . 1 1 73 73 ALA HB2 H 1 1.514 0.03 . 1 . . . . . . . . 5970 1 570 . 1 1 73 73 ALA HB3 H 1 1.514 0.03 . 1 . . . . . . . . 5970 1 571 . 1 1 73 73 ALA H H 1 7.986 0.03 . 1 . . . . . . . . 5970 1 572 . 1 1 73 73 ALA N N 15 122.242 0.30 . 1 . . . . . . . . 5970 1 573 . 1 1 74 74 ALA CA C 13 54.097 0.30 . 1 . . . . . . . . 5970 1 574 . 1 1 74 74 ALA CB C 13 18.092 0.30 . 1 . . . . . . . . 5970 1 575 . 1 1 74 74 ALA HA H 1 3.716 0.03 . 1 . . . . . . . . 5970 1 576 . 1 1 74 74 ALA HB1 H 1 1.504 0.03 . 1 . . . . . . . . 5970 1 577 . 1 1 74 74 ALA HB2 H 1 1.504 0.03 . 1 . . . . . . . . 5970 1 578 . 1 1 74 74 ALA HB3 H 1 1.504 0.03 . 1 . . . . . . . . 5970 1 579 . 1 1 74 74 ALA H H 1 7.281 0.03 . 1 . . . . . . . . 5970 1 580 . 1 1 74 74 ALA N N 15 120.549 0.30 . 1 . . . . . . . . 5970 1 581 . 1 1 75 75 LYS CA C 13 58.558 0.30 . 1 . . . . . . . . 5970 1 582 . 1 1 75 75 LYS CB C 13 31.319 0.30 . 1 . . . . . . . . 5970 1 583 . 1 1 75 75 LYS HA H 1 3.719 0.03 . 1 . . . . . . . . 5970 1 584 . 1 1 75 75 LYS HB2 H 1 1.786 0.03 . 1 . . . . . . . . 5970 1 585 . 1 1 75 75 LYS HG2 H 1 1.55 0.03 . 2 . . . . . . . . 5970 1 586 . 1 1 75 75 LYS HG3 H 1 1.26 0.03 . 2 . . . . . . . . 5970 1 587 . 1 1 75 75 LYS H H 1 8.104 0.03 . 1 . . . . . . . . 5970 1 588 . 1 1 75 75 LYS N N 15 117.868 0.30 . 1 . . . . . . . . 5970 1 589 . 1 1 76 76 LYS CA C 13 56.883 0.30 . 1 . . . . . . . . 5970 1 590 . 1 1 76 76 LYS CB C 13 29.794 0.30 . 1 . . . . . . . . 5970 1 591 . 1 1 76 76 LYS HA H 1 4.161 0.03 . 1 . . . . . . . . 5970 1 592 . 1 1 76 76 LYS HB2 H 1 2.077 0.03 . 2 . . . . . . . . 5970 1 593 . 1 1 76 76 LYS HB3 H 1 1.844 0.03 . 2 . . . . . . . . 5970 1 594 . 1 1 76 76 LYS HD2 H 1 1.423 0.03 . 1 . . . . . . . . 5970 1 595 . 1 1 76 76 LYS H H 1 7.674 0.03 . 1 . . . . . . . . 5970 1 596 . 1 1 76 76 LYS N N 15 119.747 0.30 . 1 . . . . . . . . 5970 1 597 . 1 1 77 77 VAL CA C 13 66.453 0.30 . 1 . . . . . . . . 5970 1 598 . 1 1 77 77 VAL CB C 13 29.777 0.30 . 1 . . . . . . . . 5970 1 599 . 1 1 77 77 VAL HA H 1 3.391 0.03 . 1 . . . . . . . . 5970 1 600 . 1 1 77 77 VAL HB H 1 1.951 0.03 . 1 . . . . . . . . 5970 1 601 . 1 1 77 77 VAL HG11 H 1 0.82 0.03 . 2 . . . . . . . . 5970 1 602 . 1 1 77 77 VAL HG12 H 1 0.82 0.03 . 2 . . . . . . . . 5970 1 603 . 1 1 77 77 VAL HG13 H 1 0.82 0.03 . 2 . . . . . . . . 5970 1 604 . 1 1 77 77 VAL HG21 H 1 0.627 0.03 . 2 . . . . . . . . 5970 1 605 . 1 1 77 77 VAL HG22 H 1 0.627 0.03 . 2 . . . . . . . . 5970 1 606 . 1 1 77 77 VAL HG23 H 1 0.627 0.03 . 2 . . . . . . . . 5970 1 607 . 1 1 77 77 VAL H H 1 8.027 0.03 . 1 . . . . . . . . 5970 1 608 . 1 1 77 77 VAL N N 15 120.087 0.30 . 1 . . . . . . . . 5970 1 609 . 1 1 78 78 GLY CA C 13 46.371 0.30 . 1 . . . . . . . . 5970 1 610 . 1 1 78 78 GLY HA2 H 1 4.083 0.03 . 1 . . . . . . . . 5970 1 611 . 1 1 78 78 GLY HA3 H 1 3.461 0.03 . 1 . . . . . . . . 5970 1 612 . 1 1 78 78 GLY H H 1 8.11 0.03 . 1 . . . . . . . . 5970 1 613 . 1 1 78 78 GLY N N 15 108.797 0.30 . 1 . . . . . . . . 5970 1 614 . 1 1 79 79 GLU CA C 13 58.744 0.30 . 1 . . . . . . . . 5970 1 615 . 1 1 79 79 GLU CB C 13 28.365 0.30 . 1 . . . . . . . . 5970 1 616 . 1 1 79 79 GLU HA H 1 3.663 0.03 . 1 . . . . . . . . 5970 1 617 . 1 1 79 79 GLU HB2 H 1 2.067 0.03 . 1 . . . . . . . . 5970 1 618 . 1 1 79 79 GLU H H 1 8.224 0.03 . 1 . . . . . . . . 5970 1 619 . 1 1 79 79 GLU N N 15 122.135 0.30 . 1 . . . . . . . . 5970 1 620 . 1 1 80 80 LEU CA C 13 56.566 0.30 . 1 . . . . . . . . 5970 1 621 . 1 1 80 80 LEU CB C 13 42.076 0.30 . 1 . . . . . . . . 5970 1 622 . 1 1 80 80 LEU HA H 1 4.005 0.03 . 1 . . . . . . . . 5970 1 623 . 1 1 80 80 LEU HB2 H 1 1.788 0.03 . 1 . . . . . . . . 5970 1 624 . 1 1 80 80 LEU HB3 H 1 1.275 0.03 . 1 . . . . . . . . 5970 1 625 . 1 1 80 80 LEU HD11 H 1 0.811 0.03 . 1 . . . . . . . . 5970 1 626 . 1 1 80 80 LEU HD12 H 1 0.811 0.03 . 1 . . . . . . . . 5970 1 627 . 1 1 80 80 LEU HD13 H 1 0.811 0.03 . 1 . . . . . . . . 5970 1 628 . 1 1 80 80 LEU H H 1 8.328 0.03 . 1 . . . . . . . . 5970 1 629 . 1 1 80 80 LEU N N 15 120.142 0.30 . 1 . . . . . . . . 5970 1 630 . 1 1 81 81 VAL CA C 13 64.298 0.30 . 1 . . . . . . . . 5970 1 631 . 1 1 81 81 VAL CB C 13 29.422 0.30 . 1 . . . . . . . . 5970 1 632 . 1 1 81 81 VAL CG2 C 13 18.679 0.30 . 1 . . . . . . . . 5970 1 633 . 1 1 81 81 VAL HA H 1 3.555 0.03 . 1 . . . . . . . . 5970 1 634 . 1 1 81 81 VAL HB H 1 1.886 0.03 . 1 . . . . . . . . 5970 1 635 . 1 1 81 81 VAL HG11 H 1 0.676 0.03 . 2 . . . . . . . . 5970 1 636 . 1 1 81 81 VAL HG12 H 1 0.676 0.03 . 2 . . . . . . . . 5970 1 637 . 1 1 81 81 VAL HG13 H 1 0.676 0.03 . 2 . . . . . . . . 5970 1 638 . 1 1 81 81 VAL HG21 H 1 0.88 0.03 . 2 . . . . . . . . 5970 1 639 . 1 1 81 81 VAL HG22 H 1 0.88 0.03 . 2 . . . . . . . . 5970 1 640 . 1 1 81 81 VAL HG23 H 1 0.88 0.03 . 2 . . . . . . . . 5970 1 641 . 1 1 81 81 VAL H H 1 8.642 0.03 . 1 . . . . . . . . 5970 1 642 . 1 1 81 81 VAL N N 15 119.544 0.30 . 1 . . . . . . . . 5970 1 643 . 1 1 82 82 ALA CA C 13 53.956 0.30 . 1 . . . . . . . . 5970 1 644 . 1 1 82 82 ALA CB C 13 19.421 0.30 . 1 . . . . . . . . 5970 1 645 . 1 1 82 82 ALA HA H 1 3.914 0.03 . 1 . . . . . . . . 5970 1 646 . 1 1 82 82 ALA HB1 H 1 1.472 0.03 . 1 . . . . . . . . 5970 1 647 . 1 1 82 82 ALA HB2 H 1 1.472 0.03 . 1 . . . . . . . . 5970 1 648 . 1 1 82 82 ALA HB3 H 1 1.472 0.03 . 1 . . . . . . . . 5970 1 649 . 1 1 82 82 ALA H H 1 7.462 0.03 . 1 . . . . . . . . 5970 1 650 . 1 1 82 82 ALA N N 15 124.234 0.30 . 1 . . . . . . . . 5970 1 651 . 1 1 83 83 LYS CA C 13 58.877 0.30 . 1 . . . . . . . . 5970 1 652 . 1 1 83 83 LYS CB C 13 31.041 0.30 . 1 . . . . . . . . 5970 1 653 . 1 1 83 83 LYS HA H 1 3.873 0.03 . 1 . . . . . . . . 5970 1 654 . 1 1 83 83 LYS HB2 H 1 1.939 0.03 . 1 . . . . . . . . 5970 1 655 . 1 1 83 83 LYS HG2 H 1 1.488 0.03 . 1 . . . . . . . . 5970 1 656 . 1 1 83 83 LYS H H 1 8.337 0.03 . 1 . . . . . . . . 5970 1 657 . 1 1 83 83 LYS N N 15 118.554 0.30 . 1 . . . . . . . . 5970 1 658 . 1 1 84 84 ARG CA C 13 57.974 0.30 . 1 . . . . . . . . 5970 1 659 . 1 1 84 84 ARG CB C 13 29.218 0.30 . 1 . . . . . . . . 5970 1 660 . 1 1 84 84 ARG HA H 1 3.986 0.03 . 1 . . . . . . . . 5970 1 661 . 1 1 84 84 ARG HD2 H 1 1.899 0.03 . 2 . . . . . . . . 5970 1 662 . 1 1 84 84 ARG HG2 H 1 1.649 0.03 . 2 . . . . . . . . 5970 1 663 . 1 1 84 84 ARG H H 1 8.086 0.03 . 1 . . . . . . . . 5970 1 664 . 1 1 84 84 ARG N N 15 118.52 0.30 . 1 . . . . . . . . 5970 1 665 . 1 1 85 85 ALA CA C 13 54.331 0.30 . 1 . . . . . . . . 5970 1 666 . 1 1 85 85 ALA CB C 13 16.764 0.30 . 1 . . . . . . . . 5970 1 667 . 1 1 85 85 ALA HA H 1 4.18 0.03 . 1 . . . . . . . . 5970 1 668 . 1 1 85 85 ALA HB1 H 1 1.386 0.03 . 1 . . . . . . . . 5970 1 669 . 1 1 85 85 ALA HB2 H 1 1.386 0.03 . 1 . . . . . . . . 5970 1 670 . 1 1 85 85 ALA HB3 H 1 1.386 0.03 . 1 . . . . . . . . 5970 1 671 . 1 1 85 85 ALA H H 1 8.216 0.03 . 1 . . . . . . . . 5970 1 672 . 1 1 85 85 ALA N N 15 124.276 0.30 . 1 . . . . . . . . 5970 1 673 . 1 1 86 86 LEU CA C 13 57.181 0.30 . 1 . . . . . . . . 5970 1 674 . 1 1 86 86 LEU CB C 13 40.116 0.30 . 1 . . . . . . . . 5970 1 675 . 1 1 86 86 LEU CD1 C 13 24.184 0.30 . 1 . . . . . . . . 5970 1 676 . 1 1 86 86 LEU HA H 1 4.022 0.03 . 1 . . . . . . . . 5970 1 677 . 1 1 86 86 LEU HB2 H 1 1.793 0.03 . 2 . . . . . . . . 5970 1 678 . 1 1 86 86 LEU HB3 H 1 1.393 0.03 . 2 . . . . . . . . 5970 1 679 . 1 1 86 86 LEU HD11 H 1 0.79 0.03 . 2 . . . . . . . . 5970 1 680 . 1 1 86 86 LEU HD12 H 1 0.79 0.03 . 2 . . . . . . . . 5970 1 681 . 1 1 86 86 LEU HD13 H 1 0.79 0.03 . 2 . . . . . . . . 5970 1 682 . 1 1 86 86 LEU HD21 H 1 0.799 0.03 . 2 . . . . . . . . 5970 1 683 . 1 1 86 86 LEU HD22 H 1 0.799 0.03 . 2 . . . . . . . . 5970 1 684 . 1 1 86 86 LEU HD23 H 1 0.799 0.03 . 2 . . . . . . . . 5970 1 685 . 1 1 86 86 LEU H H 1 8.808 0.03 . 1 . . . . . . . . 5970 1 686 . 1 1 86 86 LEU N N 15 121.844 0.30 . 1 . . . . . . . . 5970 1 687 . 1 1 87 87 GLU CA C 13 57.6 0.30 . 1 . . . . . . . . 5970 1 688 . 1 1 87 87 GLU CB C 13 28.388 0.30 . 1 . . . . . . . . 5970 1 689 . 1 1 87 87 GLU CG C 13 35.178 0.30 . 1 . . . . . . . . 5970 1 690 . 1 1 87 87 GLU HA H 1 4.042 0.03 . 1 . . . . . . . . 5970 1 691 . 1 1 87 87 GLU HB2 H 1 2.106 0.03 . 2 . . . . . . . . 5970 1 692 . 1 1 87 87 GLU HG2 H 1 2.432 0.03 . 2 . . . . . . . . 5970 1 693 . 1 1 87 87 GLU HG3 H 1 2.292 0.03 . 2 . . . . . . . . 5970 1 694 . 1 1 87 87 GLU H H 1 7.69 0.03 . 1 . . . . . . . . 5970 1 695 . 1 1 87 87 GLU N N 15 120.636 0.30 . 1 . . . . . . . . 5970 1 696 . 1 1 88 88 LYS CA C 13 54.156 0.30 . 1 . . . . . . . . 5970 1 697 . 1 1 88 88 LYS CB C 13 31.572 0.30 . 1 . . . . . . . . 5970 1 698 . 1 1 88 88 LYS HA H 1 4.341 0.03 . 1 . . . . . . . . 5970 1 699 . 1 1 88 88 LYS HB2 H 1 2.067 0.03 . 2 . . . . . . . . 5970 1 700 . 1 1 88 88 LYS HB3 H 1 2.851 0.03 . 2 . . . . . . . . 5970 1 701 . 1 1 88 88 LYS HD2 H 1 1.753 0.03 . 2 . . . . . . . . 5970 1 702 . 1 1 88 88 LYS HD3 H 1 1.465 0.03 . 2 . . . . . . . . 5970 1 703 . 1 1 88 88 LYS H H 1 7.269 0.03 . 1 . . . . . . . . 5970 1 704 . 1 1 88 88 LYS N N 15 118.105 0.30 . 1 . . . . . . . . 5970 1 705 . 1 1 89 89 GLY CA C 13 44.411 0.30 . 1 . . . . . . . . 5970 1 706 . 1 1 89 89 GLY HA2 H 1 4.076 0.03 . 1 . . . . . . . . 5970 1 707 . 1 1 89 89 GLY HA3 H 1 3.628 0.03 . 1 . . . . . . . . 5970 1 708 . 1 1 89 89 GLY H H 1 7.787 0.03 . 1 . . . . . . . . 5970 1 709 . 1 1 89 89 GLY N N 15 108.12 0.30 . 1 . . . . . . . . 5970 1 710 . 1 1 90 90 ILE CA C 13 59.533 0.30 . 1 . . . . . . . . 5970 1 711 . 1 1 90 90 ILE CB C 13 36.651 0.30 . 1 . . . . . . . . 5970 1 712 . 1 1 90 90 ILE HA H 1 4.038 0.03 . 1 . . . . . . . . 5970 1 713 . 1 1 90 90 ILE HB H 1 1.635 0.03 . 1 . . . . . . . . 5970 1 714 . 1 1 90 90 ILE HG21 H 1 1.215 0.03 . 1 . . . . . . . . 5970 1 715 . 1 1 90 90 ILE HG22 H 1 1.215 0.03 . 1 . . . . . . . . 5970 1 716 . 1 1 90 90 ILE HG23 H 1 1.215 0.03 . 1 . . . . . . . . 5970 1 717 . 1 1 90 90 ILE H H 1 7.841 0.03 . 1 . . . . . . . . 5970 1 718 . 1 1 90 90 ILE N N 15 124.725 0.30 . 1 . . . . . . . . 5970 1 719 . 1 1 91 91 LYS CA C 13 55.565 0.30 . 1 . . . . . . . . 5970 1 720 . 1 1 91 91 LYS CB C 13 34.234 0.30 . 1 . . . . . . . . 5970 1 721 . 1 1 91 91 LYS HA H 1 4.44 0.03 . 1 . . . . . . . . 5970 1 722 . 1 1 91 91 LYS HB2 H 1 1.782 0.03 . 2 . . . . . . . . 5970 1 723 . 1 1 91 91 LYS HB3 H 1 1.589 0.03 . 2 . . . . . . . . 5970 1 724 . 1 1 91 91 LYS HE2 H 1 2.898 0.03 . 2 . . . . . . . . 5970 1 725 . 1 1 91 91 LYS HG2 H 1 1.287 0.03 . 2 . . . . . . . . 5970 1 726 . 1 1 91 91 LYS HG3 H 1 1.369 0.03 . 2 . . . . . . . . 5970 1 727 . 1 1 91 91 LYS H H 1 8.14 0.03 . 1 . . . . . . . . 5970 1 728 . 1 1 91 91 LYS N N 15 124.19 0.30 . 1 . . . . . . . . 5970 1 729 . 1 1 92 92 GLN CA C 13 53.797 0.30 . 1 . . . . . . . . 5970 1 730 . 1 1 92 92 GLN CB C 13 29.072 0.30 . 1 . . . . . . . . 5970 1 731 . 1 1 92 92 GLN CG C 13 32.593 0.30 . 1 . . . . . . . . 5970 1 732 . 1 1 92 92 GLN HA H 1 5.248 0.03 . 1 . . . . . . . . 5970 1 733 . 1 1 92 92 GLN HB2 H 1 2.022 0.03 . 2 . . . . . . . . 5970 1 734 . 1 1 92 92 GLN HB3 H 1 1.958 0.03 . 2 . . . . . . . . 5970 1 735 . 1 1 92 92 GLN HE21 H 1 7.52 0.03 . 2 . . . . . . . . 5970 1 736 . 1 1 92 92 GLN HE22 H 1 6.763 0.03 . 2 . . . . . . . . 5970 1 737 . 1 1 92 92 GLN HG2 H 1 2.349 0.03 . 2 . . . . . . . . 5970 1 738 . 1 1 92 92 GLN H H 1 7.751 0.03 . 1 . . . . . . . . 5970 1 739 . 1 1 92 92 GLN N N 15 118.516 0.30 . 1 . . . . . . . . 5970 1 740 . 1 1 92 92 GLN NE2 N 15 112.958 0.30 . 1 . . . . . . . . 5970 1 741 . 1 1 93 93 VAL CA C 13 57.168 0.30 . 1 . . . . . . . . 5970 1 742 . 1 1 93 93 VAL CB C 13 34.964 0.30 . 1 . . . . . . . . 5970 1 743 . 1 1 93 93 VAL CG2 C 13 18.056 0.30 . 1 . . . . . . . . 5970 1 744 . 1 1 93 93 VAL HA H 1 5.026 0.03 . 1 . . . . . . . . 5970 1 745 . 1 1 93 93 VAL HB H 1 2.029 0.03 . 1 . . . . . . . . 5970 1 746 . 1 1 93 93 VAL HG11 H 1 0.546 0.03 . 2 . . . . . . . . 5970 1 747 . 1 1 93 93 VAL HG12 H 1 0.546 0.03 . 2 . . . . . . . . 5970 1 748 . 1 1 93 93 VAL HG13 H 1 0.546 0.03 . 2 . . . . . . . . 5970 1 749 . 1 1 93 93 VAL HG21 H 1 0.392 0.03 . 2 . . . . . . . . 5970 1 750 . 1 1 93 93 VAL HG22 H 1 0.392 0.03 . 2 . . . . . . . . 5970 1 751 . 1 1 93 93 VAL HG23 H 1 0.392 0.03 . 2 . . . . . . . . 5970 1 752 . 1 1 93 93 VAL H H 1 8.205 0.03 . 1 . . . . . . . . 5970 1 753 . 1 1 93 93 VAL N N 15 113.068 0.30 . 1 . . . . . . . . 5970 1 754 . 1 1 94 94 VAL CA C 13 58.179 0.30 . 1 . . . . . . . . 5970 1 755 . 1 1 94 94 VAL CB C 13 33.085 0.30 . 1 . . . . . . . . 5970 1 756 . 1 1 94 94 VAL CG1 C 13 19.534 0.30 . 1 . . . . . . . . 5970 1 757 . 1 1 94 94 VAL HA H 1 4.761 0.03 . 1 . . . . . . . . 5970 1 758 . 1 1 94 94 VAL HB H 1 1.813 0.03 . 1 . . . . . . . . 5970 1 759 . 1 1 94 94 VAL HG11 H 1 0.829 0.03 . 2 . . . . . . . . 5970 1 760 . 1 1 94 94 VAL HG12 H 1 0.829 0.03 . 2 . . . . . . . . 5970 1 761 . 1 1 94 94 VAL HG13 H 1 0.829 0.03 . 2 . . . . . . . . 5970 1 762 . 1 1 94 94 VAL HG21 H 1 0.563 0.03 . 2 . . . . . . . . 5970 1 763 . 1 1 94 94 VAL HG22 H 1 0.563 0.03 . 2 . . . . . . . . 5970 1 764 . 1 1 94 94 VAL HG23 H 1 0.563 0.03 . 2 . . . . . . . . 5970 1 765 . 1 1 94 94 VAL H H 1 8.56 0.03 . 1 . . . . . . . . 5970 1 766 . 1 1 94 94 VAL N N 15 116.461 0.30 . 1 . . . . . . . . 5970 1 767 . 1 1 95 95 PHE CA C 13 55.698 0.30 . 1 . . . . . . . . 5970 1 768 . 1 1 95 95 PHE CB C 13 39.955 0.30 . 1 . . . . . . . . 5970 1 769 . 1 1 95 95 PHE HA H 1 4.676 0.03 . 1 . . . . . . . . 5970 1 770 . 1 1 95 95 PHE HB2 H 1 2.423 0.03 . 2 . . . . . . . . 5970 1 771 . 1 1 95 95 PHE HB3 H 1 2.85 0.03 . 2 . . . . . . . . 5970 1 772 . 1 1 95 95 PHE HD1 H 1 6.858 0.03 . 2 . . . . . . . . 5970 1 773 . 1 1 95 95 PHE H H 1 8.967 0.03 . 1 . . . . . . . . 5970 1 774 . 1 1 95 95 PHE N N 15 128.317 0.30 . 1 . . . . . . . . 5970 1 775 . 1 1 96 96 ASP CA C 13 50.955 0.30 . 1 . . . . . . . . 5970 1 776 . 1 1 96 96 ASP CB C 13 40.997 0.30 . 1 . . . . . . . . 5970 1 777 . 1 1 96 96 ASP HA H 1 4.558 0.03 . 1 . . . . . . . . 5970 1 778 . 1 1 96 96 ASP HB2 H 1 2.659 0.03 . 2 . . . . . . . . 5970 1 779 . 1 1 96 96 ASP HB3 H 1 2.017 0.03 . 2 . . . . . . . . 5970 1 780 . 1 1 96 96 ASP H H 1 8.6 0.03 . 1 . . . . . . . . 5970 1 781 . 1 1 96 96 ASP N N 15 129.881 0.30 . 1 . . . . . . . . 5970 1 782 . 1 1 97 97 ARG CA C 13 54.835 0.30 . 1 . . . . . . . . 5970 1 783 . 1 1 97 97 ARG CB C 13 28.811 0.30 . 1 . . . . . . . . 5970 1 784 . 1 1 98 98 GLY CA C 13 45.65 0.30 . 1 . . . . . . . . 5970 1 785 . 1 1 98 98 GLY HA2 H 1 3.606 0.03 . 1 . . . . . . . . 5970 1 786 . 1 1 98 98 GLY HA3 H 1 4.008 0.03 . 1 . . . . . . . . 5970 1 787 . 1 1 98 98 GLY H H 1 8.2 0.03 . 1 . . . . . . . . 5970 1 788 . 1 1 98 98 GLY N N 15 108.617 0.30 . 1 . . . . . . . . 5970 1 789 . 1 1 99 99 GLY CA C 13 43.771 0.30 . 1 . . . . . . . . 5970 1 790 . 1 1 99 99 GLY HA2 H 1 3.861 0.03 . 1 . . . . . . . . 5970 1 791 . 1 1 99 99 GLY HA3 H 1 3.601 0.03 . 1 . . . . . . . . 5970 1 792 . 1 1 99 99 GLY H H 1 8.186 0.03 . 1 . . . . . . . . 5970 1 793 . 1 1 99 99 GLY N N 15 111.24 0.30 . 1 . . . . . . . . 5970 1 794 . 1 1 100 100 TYR CA C 13 56.382 0.30 . 1 . . . . . . . . 5970 1 795 . 1 1 100 100 TYR CB C 13 37.776 0.30 . 1 . . . . . . . . 5970 1 796 . 1 1 100 100 TYR HA H 1 4.602 0.03 . 1 . . . . . . . . 5970 1 797 . 1 1 100 100 TYR HB2 H 1 2.972 0.03 . 2 . . . . . . . . 5970 1 798 . 1 1 100 100 TYR HB3 H 1 3.236 0.03 . 2 . . . . . . . . 5970 1 799 . 1 1 100 100 TYR HD1 H 1 7.209 0.03 . 2 . . . . . . . . 5970 1 800 . 1 1 100 100 TYR HE1 H 1 6.846 0.03 . 2 . . . . . . . . 5970 1 801 . 1 1 100 100 TYR H H 1 7.911 0.03 . 1 . . . . . . . . 5970 1 802 . 1 1 100 100 TYR N N 15 121.359 0.30 . 1 . . . . . . . . 5970 1 803 . 1 1 101 101 LEU CA C 13 53.851 0.30 . 1 . . . . . . . . 5970 1 804 . 1 1 101 101 LEU CB C 13 41.136 0.30 . 1 . . . . . . . . 5970 1 805 . 1 1 101 101 LEU HA H 1 4.192 0.03 . 1 . . . . . . . . 5970 1 806 . 1 1 101 101 LEU HB2 H 1 1.48 0.03 . 2 . . . . . . . . 5970 1 807 . 1 1 101 101 LEU HB3 H 1 1.226 0.03 . 2 . . . . . . . . 5970 1 808 . 1 1 101 101 LEU HD11 H 1 0.819 0.03 . 2 . . . . . . . . 5970 1 809 . 1 1 101 101 LEU HD12 H 1 0.819 0.03 . 2 . . . . . . . . 5970 1 810 . 1 1 101 101 LEU HD13 H 1 0.819 0.03 . 2 . . . . . . . . 5970 1 811 . 1 1 101 101 LEU HD21 H 1 0.759 0.03 . 2 . . . . . . . . 5970 1 812 . 1 1 101 101 LEU HD22 H 1 0.759 0.03 . 2 . . . . . . . . 5970 1 813 . 1 1 101 101 LEU HD23 H 1 0.759 0.03 . 2 . . . . . . . . 5970 1 814 . 1 1 101 101 LEU H H 1 8.281 0.03 . 1 . . . . . . . . 5970 1 815 . 1 1 101 101 LEU N N 15 122.361 0.30 . 1 . . . . . . . . 5970 1 816 . 1 1 102 102 TYR CA C 13 56.131 0.30 . 1 . . . . . . . . 5970 1 817 . 1 1 102 102 TYR CB C 13 35.352 0.30 . 1 . . . . . . . . 5970 1 818 . 1 1 102 102 TYR HA H 1 4.375 0.03 . 1 . . . . . . . . 5970 1 819 . 1 1 102 102 TYR HB2 H 1 3.21 0.03 . 2 . . . . . . . . 5970 1 820 . 1 1 102 102 TYR HB3 H 1 2.623 0.03 . 2 . . . . . . . . 5970 1 821 . 1 1 102 102 TYR HD1 H 1 7.001 0.03 . 2 . . . . . . . . 5970 1 822 . 1 1 102 102 TYR HE1 H 1 6.626 0.03 . 2 . . . . . . . . 5970 1 823 . 1 1 102 102 TYR H H 1 8.672 0.03 . 1 . . . . . . . . 5970 1 824 . 1 1 102 102 TYR N N 15 124.741 0.30 . 1 . . . . . . . . 5970 1 825 . 1 1 103 103 HIS CA C 13 53.822 0.30 . 1 . . . . . . . . 5970 1 826 . 1 1 103 103 HIS CB C 13 30.793 0.30 . 1 . . . . . . . . 5970 1 827 . 1 1 103 103 HIS HA H 1 4.389 0.03 . 1 . . . . . . . . 5970 1 828 . 1 1 103 103 HIS HB2 H 1 3.072 0.03 . 2 . . . . . . . . 5970 1 829 . 1 1 103 103 HIS HB3 H 1 2.971 0.03 . 2 . . . . . . . . 5970 1 830 . 1 1 103 103 HIS H H 1 7.949 0.03 . 1 . . . . . . . . 5970 1 831 . 1 1 103 103 HIS N N 15 122.4 0.30 . 1 . . . . . . . . 5970 1 832 . 1 1 105 105 ARG CA C 13 58.913 0.30 . 1 . . . . . . . . 5970 1 833 . 1 1 106 106 VAL CA C 13 66.329 0.30 . 1 . . . . . . . . 5970 1 834 . 1 1 106 106 VAL CB C 13 30.394 0.30 . 1 . . . . . . . . 5970 1 835 . 1 1 106 106 VAL HB H 1 1.526 0.03 . 1 . . . . . . . . 5970 1 836 . 1 1 106 106 VAL HG11 H 1 1.265 0.03 . 2 . . . . . . . . 5970 1 837 . 1 1 106 106 VAL HG12 H 1 1.265 0.03 . 2 . . . . . . . . 5970 1 838 . 1 1 106 106 VAL HG13 H 1 1.265 0.03 . 2 . . . . . . . . 5970 1 839 . 1 1 106 106 VAL HG21 H 1 0.9 0.03 . 2 . . . . . . . . 5970 1 840 . 1 1 106 106 VAL HG22 H 1 0.9 0.03 . 2 . . . . . . . . 5970 1 841 . 1 1 106 106 VAL HG23 H 1 0.9 0.03 . 2 . . . . . . . . 5970 1 842 . 1 1 106 106 VAL H H 1 7.903 0.03 . 1 . . . . . . . . 5970 1 843 . 1 1 106 106 VAL N N 15 119.604 0.30 . 1 . . . . . . . . 5970 1 844 . 1 1 107 107 LYS CA C 13 57.228 0.30 . 1 . . . . . . . . 5970 1 845 . 1 1 107 107 LYS CB C 13 30.715 0.30 . 1 . . . . . . . . 5970 1 846 . 1 1 107 107 LYS CD C 13 30.302 0.30 . 1 . . . . . . . . 5970 1 847 . 1 1 107 107 LYS CG C 13 19.957 0.30 . 1 . . . . . . . . 5970 1 848 . 1 1 107 107 LYS HA H 1 3.372 0.03 . 1 . . . . . . . . 5970 1 849 . 1 1 107 107 LYS HB2 H 1 0.559 0.03 . 2 . . . . . . . . 5970 1 850 . 1 1 107 107 LYS HB3 H 1 1.173 0.03 . 2 . . . . . . . . 5970 1 851 . 1 1 107 107 LYS HD2 H 1 2.287 0.03 . 2 . . . . . . . . 5970 1 852 . 1 1 107 107 LYS HE2 H 1 2.889 0.03 . 2 . . . . . . . . 5970 1 853 . 1 1 107 107 LYS HG2 H 1 1.026 0.03 . 2 . . . . . . . . 5970 1 854 . 1 1 107 107 LYS H H 1 6.544 0.03 . 1 . . . . . . . . 5970 1 855 . 1 1 107 107 LYS N N 15 119.479 0.30 . 1 . . . . . . . . 5970 1 856 . 1 1 108 108 ALA CA C 13 53.369 0.30 . 1 . . . . . . . . 5970 1 857 . 1 1 108 108 ALA CB C 13 17.555 0.30 . 1 . . . . . . . . 5970 1 858 . 1 1 108 108 ALA HA H 1 3.928 0.03 . 1 . . . . . . . . 5970 1 859 . 1 1 108 108 ALA HB1 H 1 1.286 0.03 . 1 . . . . . . . . 5970 1 860 . 1 1 108 108 ALA HB2 H 1 1.286 0.03 . 1 . . . . . . . . 5970 1 861 . 1 1 108 108 ALA HB3 H 1 1.286 0.03 . 1 . . . . . . . . 5970 1 862 . 1 1 108 108 ALA H H 1 7.817 0.03 . 1 . . . . . . . . 5970 1 863 . 1 1 108 108 ALA N N 15 120.221 0.30 . 1 . . . . . . . . 5970 1 864 . 1 1 109 109 LEU CA C 13 58.419 0.30 . 1 . . . . . . . . 5970 1 865 . 1 1 109 109 LEU CB C 13 42.001 0.30 . 1 . . . . . . . . 5970 1 866 . 1 1 109 109 LEU H H 1 7.698 0.03 . 1 . . . . . . . . 5970 1 867 . 1 1 109 109 LEU N N 15 120.859 0.30 . 1 . . . . . . . . 5970 1 868 . 1 1 110 110 ALA CA C 13 54.357 0.30 . 1 . . . . . . . . 5970 1 869 . 1 1 110 110 ALA CB C 13 17.266 0.30 . 1 . . . . . . . . 5970 1 870 . 1 1 110 110 ALA HA H 1 3.589 0.03 . 1 . . . . . . . . 5970 1 871 . 1 1 110 110 ALA HB1 H 1 1.169 0.03 . 1 . . . . . . . . 5970 1 872 . 1 1 110 110 ALA HB2 H 1 1.169 0.03 . 1 . . . . . . . . 5970 1 873 . 1 1 110 110 ALA HB3 H 1 1.169 0.03 . 1 . . . . . . . . 5970 1 874 . 1 1 110 110 ALA H H 1 7.92 0.03 . 1 . . . . . . . . 5970 1 875 . 1 1 110 110 ALA N N 15 123.817 0.30 . 1 . . . . . . . . 5970 1 876 . 1 1 111 111 ASP CA C 13 56.048 0.30 . 1 . . . . . . . . 5970 1 877 . 1 1 111 111 ASP CB C 13 38.123 0.30 . 1 . . . . . . . . 5970 1 878 . 1 1 111 111 ASP HA H 1 4.187 0.03 . 1 . . . . . . . . 5970 1 879 . 1 1 111 111 ASP HB2 H 1 2.626 0.03 . 2 . . . . . . . . 5970 1 880 . 1 1 111 111 ASP HB3 H 1 2.477 0.03 . 2 . . . . . . . . 5970 1 881 . 1 1 111 111 ASP H H 1 9.007 0.03 . 1 . . . . . . . . 5970 1 882 . 1 1 111 111 ASP N N 15 118.893 0.30 . 1 . . . . . . . . 5970 1 883 . 1 1 112 112 ALA CA C 13 53.668 0.30 . 1 . . . . . . . . 5970 1 884 . 1 1 112 112 ALA CB C 13 19.097 0.30 . 1 . . . . . . . . 5970 1 885 . 1 1 112 112 ALA HA H 1 4.104 0.03 . 1 . . . . . . . . 5970 1 886 . 1 1 112 112 ALA HB1 H 1 1.585 0.03 . 1 . . . . . . . . 5970 1 887 . 1 1 112 112 ALA HB2 H 1 1.585 0.03 . 1 . . . . . . . . 5970 1 888 . 1 1 112 112 ALA HB3 H 1 1.585 0.03 . 1 . . . . . . . . 5970 1 889 . 1 1 112 112 ALA H H 1 7.815 0.03 . 1 . . . . . . . . 5970 1 890 . 1 1 112 112 ALA N N 15 124.233 0.30 . 1 . . . . . . . . 5970 1 891 . 1 1 113 113 ALA CA C 13 53.598 0.30 . 1 . . . . . . . . 5970 1 892 . 1 1 113 113 ALA CB C 13 15.703 0.30 . 1 . . . . . . . . 5970 1 893 . 1 1 113 113 ALA HA H 1 3.898 0.03 . 1 . . . . . . . . 5970 1 894 . 1 1 113 113 ALA HB1 H 1 1.36 0.03 . 1 . . . . . . . . 5970 1 895 . 1 1 113 113 ALA HB2 H 1 1.36 0.03 . 1 . . . . . . . . 5970 1 896 . 1 1 113 113 ALA HB3 H 1 1.36 0.03 . 1 . . . . . . . . 5970 1 897 . 1 1 113 113 ALA H H 1 8.225 0.03 . 1 . . . . . . . . 5970 1 898 . 1 1 113 113 ALA N N 15 123.144 0.30 . 1 . . . . . . . . 5970 1 899 . 1 1 114 114 ARG CA C 13 56.613 0.30 . 1 . . . . . . . . 5970 1 900 . 1 1 114 114 ARG CB C 13 28.673 0.30 . 1 . . . . . . . . 5970 1 901 . 1 1 114 114 ARG HA H 1 4.617 0.03 . 1 . . . . . . . . 5970 1 902 . 1 1 114 114 ARG HB2 H 1 1.559 0.03 . 2 . . . . . . . . 5970 1 903 . 1 1 114 114 ARG HD2 H 1 1.986 0.03 . 2 . . . . . . . . 5970 1 904 . 1 1 114 114 ARG HG2 H 1 1.381 0.03 . 2 . . . . . . . . 5970 1 905 . 1 1 114 114 ARG HG3 H 1 1.06 0.03 . 2 . . . . . . . . 5970 1 906 . 1 1 114 114 ARG H H 1 8.044 0.03 . 1 . . . . . . . . 5970 1 907 . 1 1 114 114 ARG N N 15 119.508 0.30 . 1 . . . . . . . . 5970 1 908 . 1 1 115 115 GLU CA C 13 57.804 0.30 . 1 . . . . . . . . 5970 1 909 . 1 1 115 115 GLU CB C 13 27.897 0.30 . 1 . . . . . . . . 5970 1 910 . 1 1 115 115 GLU HA H 1 3.836 0.03 . 1 . . . . . . . . 5970 1 911 . 1 1 115 115 GLU HB2 H 1 2.015 0.03 . 2 . . . . . . . . 5970 1 912 . 1 1 115 115 GLU HB3 H 1 2.235 0.03 . 2 . . . . . . . . 5970 1 913 . 1 1 115 115 GLU H H 1 8.235 0.03 . 1 . . . . . . . . 5970 1 914 . 1 1 115 115 GLU N N 15 122.442 0.30 . 1 . . . . . . . . 5970 1 915 . 1 1 116 116 ALA CA C 13 51.341 0.30 . 1 . . . . . . . . 5970 1 916 . 1 1 116 116 ALA CB C 13 18.235 0.30 . 1 . . . . . . . . 5970 1 917 . 1 1 116 116 ALA HA H 1 4.191 0.03 . 1 . . . . . . . . 5970 1 918 . 1 1 116 116 ALA HB1 H 1 1.448 0.03 . 1 . . . . . . . . 5970 1 919 . 1 1 116 116 ALA HB2 H 1 1.448 0.03 . 1 . . . . . . . . 5970 1 920 . 1 1 116 116 ALA HB3 H 1 1.448 0.03 . 1 . . . . . . . . 5970 1 921 . 1 1 116 116 ALA H H 1 7.606 0.03 . 1 . . . . . . . . 5970 1 922 . 1 1 116 116 ALA N N 15 119.659 0.30 . 1 . . . . . . . . 5970 1 923 . 1 1 117 117 GLY CA C 13 43.935 0.30 . 1 . . . . . . . . 5970 1 924 . 1 1 117 117 GLY HA2 H 1 4.509 0.03 . 1 . . . . . . . . 5970 1 925 . 1 1 117 117 GLY HA3 H 1 3.535 0.03 . 1 . . . . . . . . 5970 1 926 . 1 1 117 117 GLY H H 1 7.432 0.03 . 1 . . . . . . . . 5970 1 927 . 1 1 117 117 GLY N N 15 103.934 0.30 . 1 . . . . . . . . 5970 1 928 . 1 1 118 118 LEU CA C 13 53.629 0.30 . 1 . . . . . . . . 5970 1 929 . 1 1 118 118 LEU CB C 13 42.07 0.30 . 1 . . . . . . . . 5970 1 930 . 1 1 118 118 LEU CD1 C 13 10.945 0.30 . 1 . . . . . . . . 5970 1 931 . 1 1 118 118 LEU HA H 1 4.562 0.03 . 1 . . . . . . . . 5970 1 932 . 1 1 118 118 LEU HB2 H 1 1.437 0.03 . 2 . . . . . . . . 5970 1 933 . 1 1 118 118 LEU HD11 H 1 0.757 0.03 . 2 . . . . . . . . 5970 1 934 . 1 1 118 118 LEU HD12 H 1 0.757 0.03 . 2 . . . . . . . . 5970 1 935 . 1 1 118 118 LEU HD13 H 1 0.757 0.03 . 2 . . . . . . . . 5970 1 936 . 1 1 118 118 LEU H H 1 7.84 0.03 . 1 . . . . . . . . 5970 1 937 . 1 1 118 118 LEU N N 15 121.775 0.30 . 1 . . . . . . . . 5970 1 938 . 1 1 119 119 GLU CA C 13 55.054 0.30 . 1 . . . . . . . . 5970 1 939 . 1 1 119 119 GLU CB C 13 30.447 0.30 . 1 . . . . . . . . 5970 1 940 . 1 1 119 119 GLU CG C 13 34.934 0.30 . 1 . . . . . . . . 5970 1 941 . 1 1 119 119 GLU HA H 1 4.359 0.03 . 1 . . . . . . . . 5970 1 942 . 1 1 119 119 GLU HB2 H 1 1.938 0.03 . 2 . . . . . . . . 5970 1 943 . 1 1 119 119 GLU HB3 H 1 1.867 0.03 . 2 . . . . . . . . 5970 1 944 . 1 1 119 119 GLU HG2 H 1 2.216 0.03 . 2 . . . . . . . . 5970 1 945 . 1 1 119 119 GLU HG3 H 1 2.08 0.03 . 2 . . . . . . . . 5970 1 946 . 1 1 119 119 GLU H H 1 8.292 0.03 . 1 . . . . . . . . 5970 1 947 . 1 1 119 119 GLU N N 15 123.077 0.30 . 1 . . . . . . . . 5970 1 948 . 1 1 120 120 PHE CA C 13 56.865 0.30 . 1 . . . . . . . . 5970 1 949 . 1 1 120 120 PHE CB C 13 37.391 0.30 . 1 . . . . . . . . 5970 1 950 . 1 1 120 120 PHE HA H 1 4.559 0.03 . 1 . . . . . . . . 5970 1 951 . 1 1 120 120 PHE HB2 H 1 3.45 0.03 . 2 . . . . . . . . 5970 1 952 . 1 1 120 120 PHE HB3 H 1 2.902 0.03 . 2 . . . . . . . . 5970 1 953 . 1 1 120 120 PHE HD1 H 1 6.777 0.03 . 2 . . . . . . . . 5970 1 954 . 1 1 120 120 PHE HE1 H 1 6.594 0.03 . 2 . . . . . . . . 5970 1 955 . 1 1 120 120 PHE H H 1 7.194 0.03 . 1 . . . . . . . . 5970 1 956 . 1 1 120 120 PHE N N 15 125.785 0.30 . 1 . . . . . . . . 5970 1 stop_ save_