data_5070 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5070 _Entry.Title ; Structure and dynamics of the anticodon-arm binding domain of Bacillus stearothermophilus tyrosyl-tRNA synthetase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-07-06 _Entry.Accession_date 2001-07-06 _Entry.Last_release_date 2002-03-29 _Entry.Original_release_date 2002-03-29 _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 J. Guijarro . Inaki . 5070 2 Alessandro Pintar . . . 5070 3 Ada Prochnicka-Chalufour . . . 5070 4 Valerie Guez . . . 5070 5 Bernard Gilquin . . . 5070 6 Hugues Bedouelle . . . 5070 7 Muriel Delepierre . . . 5070 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5070 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 666 5070 '13C chemical shifts' 368 5070 '15N chemical shifts' 101 5070 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 . . 2002-03-29 2001-07-06 original author . 5070 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5070 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure and dynamics of the anticodon-arm binding domain of Bacillus stearothermophilus tyrosyl-tRNA synthetase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 311 _Citation.Page_last 317 _Citation.Year 2002 _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 J. Guijarro . Inaki . 5070 1 2 Alessandro Pintar . . . 5070 1 3 Ada Prochnicka-Chalufour . . . 5070 1 4 Valerie Guez . . . 5070 1 5 Bernard Gilquin . . . 5070 1 6 Hugues Bedouelle . . . 5070 1 7 Muriel Delepierre . . . 5070 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1H, 13C and 15N assigned chemical shifts' 5070 1 'C-terminal domain of tyrosyl-tRNA synthetase' 5070 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_C-ter._domain_of_TyrRS _Assembly.Sf_category assembly _Assembly.Sf_framecode system_C-ter._domain_of_TyrRS _Assembly.Entry_ID 5070 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of tyrosyl-tRNA synthetase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 6.1.1.1 _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 5070 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 'TyrRS C-ter. domain' 1 $tyrRS(D4) . . . native . . . . . 5070 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'C-terminal domain of tyrosyl-tRNA synthetase' system 5070 1 'C-ter. domain of TyrRS' abbreviation 5070 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'tyrosyl-tRNA synthetase' 5070 1 'anticodon-arm binding domain' 5070 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_tyrRS(D4) _Entity.Sf_category entity _Entity.Sf_framecode tyrRS(D4) _Entity.Entry_ID 5070 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TyrRS C-terminal domain' _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 ; ALFSGDIANLTAAEIEQGFK DVPSFVHEGGDVPLVELLVS AGISPSKRQAREDIQNGAIY VNGERLQDVGAILTAEHRLE GRFTVIRRGKKKYYLIRYAL EHHHHHH ; _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 107 _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 11980.57 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The molecule is a recombinant protein (TyrRS(D4)) corresponding to residues 321-419 of B. stearothermophilus tyrosyl-tRNA synthetase with a C-terminal extension (LEHHHHHH). ; _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 1JH3 . "Solution Structure Of Tyrosyl-Trna Synthetase C-Terminal Domain" . . . . . 100.00 107 100.00 100.00 2.95e-70 . . . . 5070 1 2 no PDB 2TS1 . "Structure Of Tyrosyl-TRNA SYNTHETASE REFINED AT 2.3 ANGSTROMS Resolution. Interaction Of The Enzyme With The Tyrosyl Adenylate " . . . . . 92.52 419 100.00 100.00 9.65e-61 . . . . 5070 1 3 no PDB 3TS1 . "Structure Of Tyrosyl-t/rna Synthetase Refined At 2.3 Angstroms Resolution. Interaction Of The Enzyme With The Tyrosyl Adenylate" . . . . . 92.52 419 100.00 100.00 9.65e-61 . . . . 5070 1 4 no DBJ BAD77088 . "tyrosyl-tRNA synthetase (tyrosine--tRNA ligase) [Geobacillus kaustophilus HTA426]" . . . . . 92.52 419 98.99 100.00 7.24e-60 . . . . 5070 1 5 no DBJ GAD11882 . "tyrosyl-tRNA synthetase 1 [Geobacillus kaustophilus GBlys]" . . . . . 92.52 419 100.00 100.00 1.31e-60 . . . . 5070 1 6 no DBJ GAJ57796 . "tyrosyl-tRNA synthetase [Geobacillus thermoleovorans B23]" . . . . . 92.52 419 100.00 100.00 1.07e-60 . . . . 5070 1 7 no GB AAA22877 . "tyrosyl-tRNA synthetase [ [[Bacillus] caldotenax]" . . . . . 92.52 419 100.00 100.00 1.07e-60 . . . . 5070 1 8 no GB ACX77385 . "tyrosyl-tRNA synthetase [Geobacillus sp. Y412MC61]" . . . . . 92.52 419 98.99 98.99 3.78e-60 . . . . 5070 1 9 no GB ADI25737 . "tyrosyl-tRNA synthetase [Geobacillus sp. C56-T3]" . . . . . 92.52 419 100.00 100.00 1.08e-60 . . . . 5070 1 10 no GB ADU95213 . "tyrosyl-tRNA synthetase [Geobacillus sp. Y412MC52]" . . . . . 92.52 419 98.99 98.99 3.78e-60 . . . . 5070 1 11 no GB AEV20456 . "Tyrosyl-tRNA synthetase 1 [Geobacillus thermoleovorans CCB_US3_UF5]" . . . . . 92.52 429 100.00 100.00 1.58e-60 . . . . 5070 1 12 no REF WP_011232277 . "tyrosyl-tRNA synthetase [Geobacillus kaustophilus]" . . . . . 92.52 419 98.99 100.00 7.24e-60 . . . . 5070 1 13 no REF WP_013144460 . "tyrosyl-tRNA synthetase [Geobacillus sp. C56-T3]" . . . . . 92.52 419 100.00 100.00 1.08e-60 . . . . 5070 1 14 no REF WP_013524353 . "MULTISPECIES: tyrosyl-tRNA synthetase [Geobacillus]" . . . . . 92.52 419 98.99 98.99 3.78e-60 . . . . 5070 1 15 no REF WP_014196563 . "tyrosyl-tRNA synthetase [Geobacillus thermoleovorans]" . . . . . 92.52 429 100.00 100.00 1.58e-60 . . . . 5070 1 16 no REF WP_015375638 . "MULTISPECIES: tyrosyl-tRNA synthetase [Geobacillus]" . . . . . 92.52 419 100.00 100.00 1.07e-60 . . . . 5070 1 17 no SP P00952 . "RecName: Full=Tyrosine--tRNA ligase; AltName: Full=Tyrosyl-tRNA synthetase; Short=TyrRS [Geobacillus stearothermophilus]" . . . . . 92.52 419 100.00 100.00 9.65e-61 . . . . 5070 1 18 no SP P04077 . "RecName: Full=Tyrosine--tRNA ligase; AltName: Full=Tyrosyl-tRNA synthetase; Short=TyrRS [[Bacillus] caldotenax]" . . . . . 92.52 419 100.00 100.00 1.07e-60 . . . . 5070 1 19 no SP Q5KW48 . "RecName: Full=Tyrosine--tRNA ligase; AltName: Full=Tyrosyl-tRNA synthetase; Short=TyrRS [Geobacillus kaustophilus HTA426]" . . . . . 92.52 419 98.99 100.00 7.24e-60 . . . . 5070 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'TyrRS C-terminal domain' common 5070 1 TyrRS abbreviation 5070 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 5070 1 2 . LEU . 5070 1 3 . PHE . 5070 1 4 . SER . 5070 1 5 . GLY . 5070 1 6 . ASP . 5070 1 7 . ILE . 5070 1 8 . ALA . 5070 1 9 . ASN . 5070 1 10 . LEU . 5070 1 11 . THR . 5070 1 12 . ALA . 5070 1 13 . ALA . 5070 1 14 . GLU . 5070 1 15 . ILE . 5070 1 16 . GLU . 5070 1 17 . GLN . 5070 1 18 . GLY . 5070 1 19 . PHE . 5070 1 20 . LYS . 5070 1 21 . ASP . 5070 1 22 . VAL . 5070 1 23 . PRO . 5070 1 24 . SER . 5070 1 25 . PHE . 5070 1 26 . VAL . 5070 1 27 . HIS . 5070 1 28 . GLU . 5070 1 29 . GLY . 5070 1 30 . GLY . 5070 1 31 . ASP . 5070 1 32 . VAL . 5070 1 33 . PRO . 5070 1 34 . LEU . 5070 1 35 . VAL . 5070 1 36 . GLU . 5070 1 37 . LEU . 5070 1 38 . LEU . 5070 1 39 . VAL . 5070 1 40 . SER . 5070 1 41 . ALA . 5070 1 42 . GLY . 5070 1 43 . ILE . 5070 1 44 . SER . 5070 1 45 . PRO . 5070 1 46 . SER . 5070 1 47 . LYS . 5070 1 48 . ARG . 5070 1 49 . GLN . 5070 1 50 . ALA . 5070 1 51 . ARG . 5070 1 52 . GLU . 5070 1 53 . ASP . 5070 1 54 . ILE . 5070 1 55 . GLN . 5070 1 56 . ASN . 5070 1 57 . GLY . 5070 1 58 . ALA . 5070 1 59 . ILE . 5070 1 60 . TYR . 5070 1 61 . VAL . 5070 1 62 . ASN . 5070 1 63 . GLY . 5070 1 64 . GLU . 5070 1 65 . ARG . 5070 1 66 . LEU . 5070 1 67 . GLN . 5070 1 68 . ASP . 5070 1 69 . VAL . 5070 1 70 . GLY . 5070 1 71 . ALA . 5070 1 72 . ILE . 5070 1 73 . LEU . 5070 1 74 . THR . 5070 1 75 . ALA . 5070 1 76 . GLU . 5070 1 77 . HIS . 5070 1 78 . ARG . 5070 1 79 . LEU . 5070 1 80 . GLU . 5070 1 81 . GLY . 5070 1 82 . ARG . 5070 1 83 . PHE . 5070 1 84 . THR . 5070 1 85 . VAL . 5070 1 86 . ILE . 5070 1 87 . ARG . 5070 1 88 . ARG . 5070 1 89 . GLY . 5070 1 90 . LYS . 5070 1 91 . LYS . 5070 1 92 . LYS . 5070 1 93 . TYR . 5070 1 94 . TYR . 5070 1 95 . LEU . 5070 1 96 . ILE . 5070 1 97 . ARG . 5070 1 98 . TYR . 5070 1 99 . ALA . 5070 1 100 . LEU . 5070 1 101 . GLU . 5070 1 102 . HIS . 5070 1 103 . HIS . 5070 1 104 . HIS . 5070 1 105 . HIS . 5070 1 106 . HIS . 5070 1 107 . HIS . 5070 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 5070 1 . LEU 2 2 5070 1 . PHE 3 3 5070 1 . SER 4 4 5070 1 . GLY 5 5 5070 1 . ASP 6 6 5070 1 . ILE 7 7 5070 1 . ALA 8 8 5070 1 . ASN 9 9 5070 1 . LEU 10 10 5070 1 . THR 11 11 5070 1 . ALA 12 12 5070 1 . ALA 13 13 5070 1 . GLU 14 14 5070 1 . ILE 15 15 5070 1 . GLU 16 16 5070 1 . GLN 17 17 5070 1 . GLY 18 18 5070 1 . PHE 19 19 5070 1 . LYS 20 20 5070 1 . ASP 21 21 5070 1 . VAL 22 22 5070 1 . PRO 23 23 5070 1 . SER 24 24 5070 1 . PHE 25 25 5070 1 . VAL 26 26 5070 1 . HIS 27 27 5070 1 . GLU 28 28 5070 1 . GLY 29 29 5070 1 . GLY 30 30 5070 1 . ASP 31 31 5070 1 . VAL 32 32 5070 1 . PRO 33 33 5070 1 . LEU 34 34 5070 1 . VAL 35 35 5070 1 . GLU 36 36 5070 1 . LEU 37 37 5070 1 . LEU 38 38 5070 1 . VAL 39 39 5070 1 . SER 40 40 5070 1 . ALA 41 41 5070 1 . GLY 42 42 5070 1 . ILE 43 43 5070 1 . SER 44 44 5070 1 . PRO 45 45 5070 1 . SER 46 46 5070 1 . LYS 47 47 5070 1 . ARG 48 48 5070 1 . GLN 49 49 5070 1 . ALA 50 50 5070 1 . ARG 51 51 5070 1 . GLU 52 52 5070 1 . ASP 53 53 5070 1 . ILE 54 54 5070 1 . GLN 55 55 5070 1 . ASN 56 56 5070 1 . GLY 57 57 5070 1 . ALA 58 58 5070 1 . ILE 59 59 5070 1 . TYR 60 60 5070 1 . VAL 61 61 5070 1 . ASN 62 62 5070 1 . GLY 63 63 5070 1 . GLU 64 64 5070 1 . ARG 65 65 5070 1 . LEU 66 66 5070 1 . GLN 67 67 5070 1 . ASP 68 68 5070 1 . VAL 69 69 5070 1 . GLY 70 70 5070 1 . ALA 71 71 5070 1 . ILE 72 72 5070 1 . LEU 73 73 5070 1 . THR 74 74 5070 1 . ALA 75 75 5070 1 . GLU 76 76 5070 1 . HIS 77 77 5070 1 . ARG 78 78 5070 1 . LEU 79 79 5070 1 . GLU 80 80 5070 1 . GLY 81 81 5070 1 . ARG 82 82 5070 1 . PHE 83 83 5070 1 . THR 84 84 5070 1 . VAL 85 85 5070 1 . ILE 86 86 5070 1 . ARG 87 87 5070 1 . ARG 88 88 5070 1 . GLY 89 89 5070 1 . LYS 90 90 5070 1 . LYS 91 91 5070 1 . LYS 92 92 5070 1 . TYR 93 93 5070 1 . TYR 94 94 5070 1 . LEU 95 95 5070 1 . ILE 96 96 5070 1 . ARG 97 97 5070 1 . TYR 98 98 5070 1 . ALA 99 99 5070 1 . LEU 100 100 5070 1 . GLU 101 101 5070 1 . HIS 102 102 5070 1 . HIS 103 103 5070 1 . HIS 104 104 5070 1 . HIS 105 105 5070 1 . HIS 106 106 5070 1 . HIS 107 107 5070 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 5070 _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 $tyrRS(D4) . 1422 . . 'Bacillus stearothermophilus' . . . Eubacteria . Bacillus stearothermophilus . . . . . . . . . . . . . . . . tyrS . . . . 5070 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 5070 _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 $tyrRS(D4) . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . PET-20b(+) . . . . . . 5070 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5070 _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 'TyrRS C-terminal domain' [U-15N] . . 1 $tyrRS(D4) . . 1.2 . . mM . . . . 5070 1 2 'potassium phosphate' . . . . . . . 20 . . mM . . . . 5070 1 3 H2O . . . . . . . 90 . . % . . . . 5070 1 4 D2O . . . . . . . 10 . . % . . . . 5070 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5070 _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 'TyrRS C-terminal domain' '[U-13C; U-15N]' . . 1 $tyrRS(D4) . . 0.8 . . mM . . . . 5070 2 2 'potassium phosphate' . . . . . . . 20 . . mM . . . . 5070 2 3 H2O . . . . . . . 90 . . % . . . . 5070 2 4 D2O . . . . . . . 10 . . % . . . . 5070 2 stop_ save_ ####################### # Sample conditions # ####################### save_Cond_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond_set_1 _Sample_condition_list.Entry_ID 5070 _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 6.8 0.1 n/a 5070 1 temperature 308 0.1 K 5070 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 5070 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1B _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID acquisition 5070 1 'data processing' 5070 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5070 _Software.ID 2 _Software.Name XEASY _Software.Version 1.2 _Software.Details 'Bartels et al., J. Biomolecular NMR, 6,1-10 (1995)' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 5070 2 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 5070 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5070 _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 INOVA . 500 . . . 5070 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 5070 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5070 1 2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5070 1 3 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5070 1 4 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5070 1 5 '15N-edited NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5070 1 6 TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5070 1 7 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5070 1 8 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5070 1 9 H(CC-TOCSY)NNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5070 1 10 C(CC-TOCSY)NNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5070 1 11 '13C-edited HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5070 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 5070 _NMR_spec_expt.ID 1 _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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5070 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5070 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5070 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5070 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '15N-edited 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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5070 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5070 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5070 _NMR_spec_expt.ID 8 _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5070 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name H(CC-TOCSY)NNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 5070 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name C(CC-TOCSY)NNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5070 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '13C-edited 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_ #################### # 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 5070 _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 0.00 external direct 1.0 external cylindrical parallel . . . . . . 5070 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5070 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5070 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5070 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_set_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 HNCA . . . 5070 1 2 HNCO . . . 5070 1 3 '1H-15N HSQC' . . . 5070 1 4 '1H-13C HSQC' . . . 5070 1 5 '15N-edited NOESY-HSQC' . . . 5070 1 6 TOCSY-HSQC . . . 5070 1 7 CBCA(CO)NH . . . 5070 1 8 HNCACB . . . 5070 1 9 H(CC-TOCSY)NNH . . . 5070 1 10 C(CC-TOCSY)NNH . . . 5070 1 11 '13C-edited HCCH-TOCSY' . . . 5070 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 LEU N N 15 114.5 0.2 . 9 . . . . . . . . 5070 1 2 . 1 1 3 3 PHE H H 1 7.97 0.03 . 1 . . . . . . . . 5070 1 3 . 1 1 3 3 PHE HA H 1 4.45 0.03 . 1 . . . . . . . . 5070 1 4 . 1 1 3 3 PHE HB2 H 1 2.88 0.03 . 2 . . . . . . . . 5070 1 5 . 1 1 3 3 PHE HB3 H 1 3.29 0.03 . 2 . . . . . . . . 5070 1 6 . 1 1 3 3 PHE N N 15 124.9 0.2 . 1 . . . . . . . . 5070 1 7 . 1 1 4 4 SER HB2 H 1 3.72 0.03 . 9 . . . . . . . . 5070 1 8 . 1 1 4 4 SER HB3 H 1 3.72 0.03 . 9 . . . . . . . . 5070 1 9 . 1 1 4 4 SER CA C 13 57.8 0.2 . 1 . . . . . . . . 5070 1 10 . 1 1 4 4 SER CB C 13 63.6 0.2 . 1 . . . . . . . . 5070 1 11 . 1 1 5 5 GLY H H 1 7.50 0.03 . 1 . . . . . . . . 5070 1 12 . 1 1 5 5 GLY HA2 H 1 3.94 0.03 . 2 . . . . . . . . 5070 1 13 . 1 1 5 5 GLY HA3 H 1 3.97 0.03 . 2 . . . . . . . . 5070 1 14 . 1 1 5 5 GLY C C 13 176.5 0.2 . 1 . . . . . . . . 5070 1 15 . 1 1 5 5 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 5070 1 16 . 1 1 5 5 GLY N N 15 109.4 0.2 . 1 . . . . . . . . 5070 1 17 . 1 1 6 6 ASP H H 1 8.14 0.03 . 1 . . . . . . . . 5070 1 18 . 1 1 6 6 ASP HA H 1 4.68 0.03 . 1 . . . . . . . . 5070 1 19 . 1 1 6 6 ASP HB2 H 1 2.50 0.03 . 2 . . . . . . . . 5070 1 20 . 1 1 6 6 ASP HB3 H 1 2.70 0.03 . 2 . . . . . . . . 5070 1 21 . 1 1 6 6 ASP C C 13 177.0 0.2 . 1 . . . . . . . . 5070 1 22 . 1 1 6 6 ASP CA C 13 53.8 0.2 . 1 . . . . . . . . 5070 1 23 . 1 1 6 6 ASP CB C 13 40.8 0.2 . 1 . . . . . . . . 5070 1 24 . 1 1 6 6 ASP N N 15 120.4 0.2 . 1 . . . . . . . . 5070 1 25 . 1 1 7 7 ILE H H 1 8.13 0.03 . 1 . . . . . . . . 5070 1 26 . 1 1 7 7 ILE HA H 1 3.75 0.03 . 1 . . . . . . . . 5070 1 27 . 1 1 7 7 ILE HB H 1 1.66 0.03 . 1 . . . . . . . . 5070 1 28 . 1 1 7 7 ILE HG12 H 1 1.01 0.03 . 2 . . . . . . . . 5070 1 29 . 1 1 7 7 ILE HG13 H 1 1.43 0.03 . 2 . . . . . . . . 5070 1 30 . 1 1 7 7 ILE HG21 H 1 0.69 0.03 . 1 . . . . . . . . 5070 1 31 . 1 1 7 7 ILE HG22 H 1 0.69 0.03 . 1 . . . . . . . . 5070 1 32 . 1 1 7 7 ILE HG23 H 1 0.69 0.03 . 1 . . . . . . . . 5070 1 33 . 1 1 7 7 ILE HD11 H 1 0.80 0.03 . 1 . . . . . . . . 5070 1 34 . 1 1 7 7 ILE HD12 H 1 0.80 0.03 . 1 . . . . . . . . 5070 1 35 . 1 1 7 7 ILE HD13 H 1 0.80 0.03 . 1 . . . . . . . . 5070 1 36 . 1 1 7 7 ILE C C 13 175.9 0.2 . 1 . . . . . . . . 5070 1 37 . 1 1 7 7 ILE CA C 13 62.2 0.2 . 1 . . . . . . . . 5070 1 38 . 1 1 7 7 ILE CB C 13 38.1 0.2 . 1 . . . . . . . . 5070 1 39 . 1 1 7 7 ILE CG1 C 13 27.6 0.2 . 1 . . . . . . . . 5070 1 40 . 1 1 7 7 ILE CG2 C 13 17.7 0.2 . 1 . . . . . . . . 5070 1 41 . 1 1 7 7 ILE CD1 C 13 13.2 0.2 . 1 . . . . . . . . 5070 1 42 . 1 1 7 7 ILE N N 15 122.1 0.2 . 1 . . . . . . . . 5070 1 43 . 1 1 8 8 ALA H H 1 8.06 0.03 . 1 . . . . . . . . 5070 1 44 . 1 1 8 8 ALA HA H 1 4.04 0.03 . 1 . . . . . . . . 5070 1 45 . 1 1 8 8 ALA HB1 H 1 1.39 0.03 . 1 . . . . . . . . 5070 1 46 . 1 1 8 8 ALA HB2 H 1 1.39 0.03 . 1 . . . . . . . . 5070 1 47 . 1 1 8 8 ALA HB3 H 1 1.39 0.03 . 1 . . . . . . . . 5070 1 48 . 1 1 8 8 ALA C C 13 177.7 0.2 . 1 . . . . . . . . 5070 1 49 . 1 1 8 8 ALA CA C 13 53.8 0.2 . 1 . . . . . . . . 5070 1 50 . 1 1 8 8 ALA CB C 13 18.7 0.2 . 1 . . . . . . . . 5070 1 51 . 1 1 8 8 ALA N N 15 120.0 0.2 . 1 . . . . . . . . 5070 1 52 . 1 1 9 9 ASN H H 1 7.80 0.03 . 1 . . . . . . . . 5070 1 53 . 1 1 9 9 ASN HA H 1 4.77 0.03 . 1 . . . . . . . . 5070 1 54 . 1 1 9 9 ASN HB2 H 1 2.63 0.03 . 2 . . . . . . . . 5070 1 55 . 1 1 9 9 ASN HB3 H 1 2.93 0.03 . 2 . . . . . . . . 5070 1 56 . 1 1 9 9 ASN HD21 H 1 6.83 0.03 . 2 . . . . . . . . 5070 1 57 . 1 1 9 9 ASN HD22 H 1 7.72 0.03 . 2 . . . . . . . . 5070 1 58 . 1 1 9 9 ASN C C 13 175.0 0.2 . 1 . . . . . . . . 5070 1 59 . 1 1 9 9 ASN CA C 13 52.8 0.2 . 1 . . . . . . . . 5070 1 60 . 1 1 9 9 ASN CB C 13 38.9 0.2 . 1 . . . . . . . . 5070 1 61 . 1 1 9 9 ASN N N 15 113.3 0.2 . 1 . . . . . . . . 5070 1 62 . 1 1 9 9 ASN ND2 N 15 113.1 0.2 . 1 . . . . . . . . 5070 1 63 . 1 1 10 10 LEU H H 1 7.46 0.03 . 1 . . . . . . . . 5070 1 64 . 1 1 10 10 LEU HA H 1 4.42 0.03 . 1 . . . . . . . . 5070 1 65 . 1 1 10 10 LEU HB2 H 1 1.71 0.03 . 1 . . . . . . . . 5070 1 66 . 1 1 10 10 LEU HB3 H 1 1.71 0.03 . 1 . . . . . . . . 5070 1 67 . 1 1 10 10 LEU HG H 1 1.40 0.03 . 1 . . . . . . . . 5070 1 68 . 1 1 10 10 LEU HD11 H 1 0.68 0.03 . 2 . . . . . . . . 5070 1 69 . 1 1 10 10 LEU HD12 H 1 0.68 0.03 . 2 . . . . . . . . 5070 1 70 . 1 1 10 10 LEU HD13 H 1 0.68 0.03 . 2 . . . . . . . . 5070 1 71 . 1 1 10 10 LEU C C 13 177.1 0.2 . 1 . . . . . . . . 5070 1 72 . 1 1 10 10 LEU CA C 13 54.6 0.2 . 1 . . . . . . . . 5070 1 73 . 1 1 10 10 LEU CB C 13 42.9 0.2 . 1 . . . . . . . . 5070 1 74 . 1 1 10 10 LEU CG C 13 26.0 0.2 . 1 . . . . . . . . 5070 1 75 . 1 1 10 10 LEU CD1 C 13 22.6 0.2 . 1 . . . . . . . . 5070 1 76 . 1 1 10 10 LEU CD2 C 13 22.6 0.2 . 1 . . . . . . . . 5070 1 77 . 1 1 10 10 LEU N N 15 121.1 0.2 . 1 . . . . . . . . 5070 1 78 . 1 1 11 11 THR H H 1 8.44 0.03 . 1 . . . . . . . . 5070 1 79 . 1 1 11 11 THR HA H 1 4.43 0.03 . 1 . . . . . . . . 5070 1 80 . 1 1 11 11 THR HB H 1 4.64 0.03 . 1 . . . . . . . . 5070 1 81 . 1 1 11 11 THR HG21 H 1 1.31 0.03 . 1 . . . . . . . . 5070 1 82 . 1 1 11 11 THR HG22 H 1 1.31 0.03 . 1 . . . . . . . . 5070 1 83 . 1 1 11 11 THR HG23 H 1 1.31 0.03 . 1 . . . . . . . . 5070 1 84 . 1 1 11 11 THR C C 13 175.7 0.2 . 1 . . . . . . . . 5070 1 85 . 1 1 11 11 THR CA C 13 60.4 0.2 . 1 . . . . . . . . 5070 1 86 . 1 1 11 11 THR CB C 13 66.9 0.2 . 9 . . . . . . . . 5070 1 87 . 1 1 11 11 THR CG2 C 13 21.7 0.2 . 1 . . . . . . . . 5070 1 88 . 1 1 11 11 THR N N 15 111.4 0.2 . 1 . . . . . . . . 5070 1 89 . 1 1 12 12 ALA H H 1 9.17 0.03 . 1 . . . . . . . . 5070 1 90 . 1 1 12 12 ALA HA H 1 3.99 0.03 . 1 . . . . . . . . 5070 1 91 . 1 1 12 12 ALA HB1 H 1 1.52 0.03 . 1 . . . . . . . . 5070 1 92 . 1 1 12 12 ALA HB2 H 1 1.52 0.03 . 1 . . . . . . . . 5070 1 93 . 1 1 12 12 ALA HB3 H 1 1.52 0.03 . 1 . . . . . . . . 5070 1 94 . 1 1 12 12 ALA C C 13 179.1 0.2 . 1 . . . . . . . . 5070 1 95 . 1 1 12 12 ALA CA C 13 55.7 0.2 . 1 . . . . . . . . 5070 1 96 . 1 1 12 12 ALA CB C 13 18.1 0.2 . 1 . . . . . . . . 5070 1 97 . 1 1 12 12 ALA N N 15 123.0 0.2 . 1 . . . . . . . . 5070 1 98 . 1 1 13 13 ALA H H 1 8.40 0.03 . 1 . . . . . . . . 5070 1 99 . 1 1 13 13 ALA HA H 1 4.12 0.03 . 1 . . . . . . . . 5070 1 100 . 1 1 13 13 ALA HB1 H 1 1.34 0.03 . 1 . . . . . . . . 5070 1 101 . 1 1 13 13 ALA HB2 H 1 1.34 0.03 . 1 . . . . . . . . 5070 1 102 . 1 1 13 13 ALA HB3 H 1 1.34 0.03 . 1 . . . . . . . . 5070 1 103 . 1 1 13 13 ALA C C 13 180.6 0.2 . 1 . . . . . . . . 5070 1 104 . 1 1 13 13 ALA CA C 13 54.6 0.2 . 1 . . . . . . . . 5070 1 105 . 1 1 13 13 ALA CB C 13 18.0 0.2 . 1 . . . . . . . . 5070 1 106 . 1 1 13 13 ALA N N 15 118.5 0.2 . 1 . . . . . . . . 5070 1 107 . 1 1 14 14 GLU H H 1 7.52 0.03 . 1 . . . . . . . . 5070 1 108 . 1 1 14 14 GLU HA H 1 3.93 0.03 . 1 . . . . . . . . 5070 1 109 . 1 1 14 14 GLU HB2 H 1 2.16 0.03 . 2 . . . . . . . . 5070 1 110 . 1 1 14 14 GLU HB3 H 1 2.27 0.03 . 2 . . . . . . . . 5070 1 111 . 1 1 14 14 GLU HG2 H 1 1.93 0.03 . 1 . . . . . . . . 5070 1 112 . 1 1 14 14 GLU HG3 H 1 1.93 0.03 . 1 . . . . . . . . 5070 1 113 . 1 1 14 14 GLU C C 13 180.1 0.2 . 1 . . . . . . . . 5070 1 114 . 1 1 14 14 GLU CA C 13 58.7 0.2 . 1 . . . . . . . . 5070 1 115 . 1 1 14 14 GLU CB C 13 30.7 0.2 . 1 . . . . . . . . 5070 1 116 . 1 1 14 14 GLU CG C 13 37.4 0.2 . 1 . . . . . . . . 5070 1 117 . 1 1 14 14 GLU N N 15 117.6 0.2 . 1 . . . . . . . . 5070 1 118 . 1 1 15 15 ILE H H 1 8.23 0.03 . 1 . . . . . . . . 5070 1 119 . 1 1 15 15 ILE HA H 1 3.48 0.03 . 1 . . . . . . . . 5070 1 120 . 1 1 15 15 ILE HB H 1 1.58 0.03 . 1 . . . . . . . . 5070 1 121 . 1 1 15 15 ILE HG12 H 1 0.65 0.03 . 1 . . . . . . . . 5070 1 122 . 1 1 15 15 ILE HG13 H 1 0.65 0.03 . 1 . . . . . . . . 5070 1 123 . 1 1 15 15 ILE HG21 H 1 0.06 0.03 . 1 . . . . . . . . 5070 1 124 . 1 1 15 15 ILE HG22 H 1 0.06 0.03 . 1 . . . . . . . . 5070 1 125 . 1 1 15 15 ILE HG23 H 1 0.06 0.03 . 1 . . . . . . . . 5070 1 126 . 1 1 15 15 ILE HD11 H 1 0.56 0.03 . 1 . . . . . . . . 5070 1 127 . 1 1 15 15 ILE HD12 H 1 0.56 0.03 . 1 . . . . . . . . 5070 1 128 . 1 1 15 15 ILE HD13 H 1 0.56 0.03 . 1 . . . . . . . . 5070 1 129 . 1 1 15 15 ILE C C 13 177.1 0.2 . 1 . . . . . . . . 5070 1 130 . 1 1 15 15 ILE CA C 13 64.8 0.2 . 1 . . . . . . . . 5070 1 131 . 1 1 15 15 ILE CB C 13 37.2 0.2 . 9 . . . . . . . . 5070 1 132 . 1 1 15 15 ILE CG2 C 13 17.0 0.2 . 1 . . . . . . . . 5070 1 133 . 1 1 15 15 ILE CD1 C 13 13.5 0.2 . 1 . . . . . . . . 5070 1 134 . 1 1 15 15 ILE N N 15 122.8 0.2 . 1 . . . . . . . . 5070 1 135 . 1 1 16 16 GLU H H 1 8.17 0.03 . 1 . . . . . . . . 5070 1 136 . 1 1 16 16 GLU HA H 1 3.48 0.03 . 1 . . . . . . . . 5070 1 137 . 1 1 16 16 GLU HB2 H 1 1.96 0.03 . 1 . . . . . . . . 5070 1 138 . 1 1 16 16 GLU HB3 H 1 1.96 0.03 . 1 . . . . . . . . 5070 1 139 . 1 1 16 16 GLU HG2 H 1 2.14 0.03 . 1 . . . . . . . . 5070 1 140 . 1 1 16 16 GLU HG3 H 1 2.14 0.03 . 1 . . . . . . . . 5070 1 141 . 1 1 16 16 GLU C C 13 178.5 0.2 . 1 . . . . . . . . 5070 1 142 . 1 1 16 16 GLU CA C 13 59.5 0.2 . 1 . . . . . . . . 5070 1 143 . 1 1 16 16 GLU CB C 13 29.2 0.2 . 1 . . . . . . . . 5070 1 144 . 1 1 16 16 GLU CG C 13 36.4 0.2 . 1 . . . . . . . . 5070 1 145 . 1 1 16 16 GLU N N 15 118.5 0.2 . 1 . . . . . . . . 5070 1 146 . 1 1 17 17 GLN H H 1 7.49 0.03 . 1 . . . . . . . . 5070 1 147 . 1 1 17 17 GLN HA H 1 4.02 0.03 . 1 . . . . . . . . 5070 1 148 . 1 1 17 17 GLN HB2 H 1 1.97 0.03 . 1 . . . . . . . . 5070 1 149 . 1 1 17 17 GLN HB3 H 1 1.97 0.03 . 1 . . . . . . . . 5070 1 150 . 1 1 17 17 GLN HG2 H 1 2.34 0.03 . 1 . . . . . . . . 5070 1 151 . 1 1 17 17 GLN HG3 H 1 2.34 0.03 . 1 . . . . . . . . 5070 1 152 . 1 1 17 17 GLN HE21 H 1 6.75 0.03 . 2 . . . . . . . . 5070 1 153 . 1 1 17 17 GLN HE22 H 1 7.07 0.03 . 2 . . . . . . . . 5070 1 154 . 1 1 17 17 GLN C C 13 178.4 0.2 . 1 . . . . . . . . 5070 1 155 . 1 1 17 17 GLN CA C 13 57.7 0.2 . 1 . . . . . . . . 5070 1 156 . 1 1 17 17 GLN CB C 13 28.7 0.2 . 1 . . . . . . . . 5070 1 157 . 1 1 17 17 GLN CG C 13 33.4 0.2 . 1 . . . . . . . . 5070 1 158 . 1 1 17 17 GLN N N 15 114.0 0.2 . 1 . . . . . . . . 5070 1 159 . 1 1 17 17 GLN NE2 N 15 110.0 0.2 . 1 . . . . . . . . 5070 1 160 . 1 1 18 18 GLY H H 1 8.13 0.03 . 1 . . . . . . . . 5070 1 161 . 1 1 18 18 GLY HA2 H 1 3.34 0.03 . 2 . . . . . . . . 5070 1 162 . 1 1 18 18 GLY HA3 H 1 3.76 0.03 . 2 . . . . . . . . 5070 1 163 . 1 1 18 18 GLY C C 13 174.4 0.2 . 1 . . . . . . . . 5070 1 164 . 1 1 18 18 GLY CA C 13 45.6 0.2 . 1 . . . . . . . . 5070 1 165 . 1 1 18 18 GLY N N 15 106.3 0.2 . 1 . . . . . . . . 5070 1 166 . 1 1 19 19 PHE H H 1 7.80 0.03 . 1 . . . . . . . . 5070 1 167 . 1 1 19 19 PHE HA H 1 4.50 0.03 . 1 . . . . . . . . 5070 1 168 . 1 1 19 19 PHE HB2 H 1 2.62 0.03 . 2 . . . . . . . . 5070 1 169 . 1 1 19 19 PHE HB3 H 1 3.27 0.03 . 2 . . . . . . . . 5070 1 170 . 1 1 19 19 PHE HD1 H 1 7.12 0.03 . 1 . . . . . . . . 5070 1 171 . 1 1 19 19 PHE HD2 H 1 7.12 0.03 . 1 . . . . . . . . 5070 1 172 . 1 1 19 19 PHE HE1 H 1 6.58 0.03 . 1 . . . . . . . . 5070 1 173 . 1 1 19 19 PHE HE2 H 1 6.58 0.03 . 1 . . . . . . . . 5070 1 174 . 1 1 19 19 PHE C C 13 175.4 0.2 . 1 . . . . . . . . 5070 1 175 . 1 1 19 19 PHE CA C 13 57.2 0.2 . 1 . . . . . . . . 5070 1 176 . 1 1 19 19 PHE CB C 13 37.5 0.2 . 1 . . . . . . . . 5070 1 177 . 1 1 19 19 PHE N N 15 116.6 0.2 . 1 . . . . . . . . 5070 1 178 . 1 1 20 20 LYS H H 1 7.04 0.03 . 1 . . . . . . . . 5070 1 179 . 1 1 20 20 LYS HA H 1 4.06 0.03 . 1 . . . . . . . . 5070 1 180 . 1 1 20 20 LYS HB2 H 1 1.86 0.03 . 1 . . . . . . . . 5070 1 181 . 1 1 20 20 LYS HB3 H 1 1.86 0.03 . 1 . . . . . . . . 5070 1 182 . 1 1 20 20 LYS HG2 H 1 1.33 0.03 . 1 . . . . . . . . 5070 1 183 . 1 1 20 20 LYS HG3 H 1 1.33 0.03 . 1 . . . . . . . . 5070 1 184 . 1 1 20 20 LYS HD2 H 1 1.62 0.03 . 1 . . . . . . . . 5070 1 185 . 1 1 20 20 LYS HD3 H 1 1.62 0.03 . 1 . . . . . . . . 5070 1 186 . 1 1 20 20 LYS HE2 H 1 3.02 0.03 . 1 . . . . . . . . 5070 1 187 . 1 1 20 20 LYS HE3 H 1 3.02 0.03 . 1 . . . . . . . . 5070 1 188 . 1 1 20 20 LYS C C 13 176.4 0.2 . 1 . . . . . . . . 5070 1 189 . 1 1 20 20 LYS CA C 13 58.5 0.2 . 1 . . . . . . . . 5070 1 190 . 1 1 20 20 LYS CB C 13 32.0 0.2 . 1 . . . . . . . . 5070 1 191 . 1 1 20 20 LYS CG C 13 23.7 0.2 . 1 . . . . . . . . 5070 1 192 . 1 1 20 20 LYS N N 15 119.5 0.2 . 1 . . . . . . . . 5070 1 193 . 1 1 21 21 ASP H H 1 8.47 0.03 . 1 . . . . . . . . 5070 1 194 . 1 1 21 21 ASP HA H 1 4.69 0.03 . 1 . . . . . . . . 5070 1 195 . 1 1 21 21 ASP HB2 H 1 2.52 0.03 . 2 . . . . . . . . 5070 1 196 . 1 1 21 21 ASP HB3 H 1 2.73 0.03 . 2 . . . . . . . . 5070 1 197 . 1 1 21 21 ASP C C 13 175.8 0.2 . 1 . . . . . . . . 5070 1 198 . 1 1 21 21 ASP CA C 13 53.9 0.2 . 1 . . . . . . . . 5070 1 199 . 1 1 21 21 ASP CB C 13 40.5 0.2 . 1 . . . . . . . . 5070 1 200 . 1 1 21 21 ASP N N 15 116.2 0.2 . 1 . . . . . . . . 5070 1 201 . 1 1 22 22 VAL H H 1 7.12 0.03 . 1 . . . . . . . . 5070 1 202 . 1 1 22 22 VAL HA H 1 4.63 0.03 . 1 . . . . . . . . 5070 1 203 . 1 1 22 22 VAL HB H 1 2.42 0.03 . 1 . . . . . . . . 5070 1 204 . 1 1 22 22 VAL HG11 H 1 0.90 0.03 . 1 . . . . . . . . 5070 1 205 . 1 1 22 22 VAL HG12 H 1 0.90 0.03 . 1 . . . . . . . . 5070 1 206 . 1 1 22 22 VAL HG13 H 1 0.90 0.03 . 1 . . . . . . . . 5070 1 207 . 1 1 22 22 VAL HG21 H 1 0.90 0.03 . 1 . . . . . . . . 5070 1 208 . 1 1 22 22 VAL HG22 H 1 0.90 0.03 . 1 . . . . . . . . 5070 1 209 . 1 1 22 22 VAL HG23 H 1 0.90 0.03 . 1 . . . . . . . . 5070 1 210 . 1 1 22 22 VAL CA C 13 58.8 0.2 . 1 . . . . . . . . 5070 1 211 . 1 1 22 22 VAL CB C 13 30.6 0.2 . 1 . . . . . . . . 5070 1 212 . 1 1 22 22 VAL N N 15 116.6 0.2 . 1 . . . . . . . . 5070 1 213 . 1 1 23 23 PRO HA H 1 4.42 0.03 . 1 . . . . . . . . 5070 1 214 . 1 1 23 23 PRO HB2 H 1 2.42 0.03 . 1 . . . . . . . . 5070 1 215 . 1 1 23 23 PRO HB3 H 1 2.42 0.03 . 1 . . . . . . . . 5070 1 216 . 1 1 23 23 PRO HG2 H 1 2.00 0.03 . 2 . . . . . . . . 5070 1 217 . 1 1 23 23 PRO HG3 H 1 1.89 0.03 . 2 . . . . . . . . 5070 1 218 . 1 1 23 23 PRO HD2 H 1 3.75 0.03 . 1 . . . . . . . . 5070 1 219 . 1 1 23 23 PRO HD3 H 1 3.75 0.03 . 1 . . . . . . . . 5070 1 220 . 1 1 23 23 PRO C C 13 175.5 0.2 . 1 . . . . . . . . 5070 1 221 . 1 1 23 23 PRO CA C 13 63.5 0.2 . 1 . . . . . . . . 5070 1 222 . 1 1 23 23 PRO CB C 13 31.9 0.2 . 1 . . . . . . . . 5070 1 223 . 1 1 24 24 SER H H 1 8.34 0.03 . 1 . . . . . . . . 5070 1 224 . 1 1 24 24 SER HA H 1 5.89 0.03 . 1 . . . . . . . . 5070 1 225 . 1 1 24 24 SER HB2 H 1 3.80 0.03 . 1 . . . . . . . . 5070 1 226 . 1 1 24 24 SER HB3 H 1 3.80 0.03 . 1 . . . . . . . . 5070 1 227 . 1 1 24 24 SER C C 13 173.8 0.2 . 1 . . . . . . . . 5070 1 228 . 1 1 24 24 SER CA C 13 55.9 0.2 . 1 . . . . . . . . 5070 1 229 . 1 1 24 24 SER CB C 13 66.9 0.2 . 1 . . . . . . . . 5070 1 230 . 1 1 24 24 SER N N 15 115.3 0.2 . 1 . . . . . . . . 5070 1 231 . 1 1 25 25 PHE H H 1 8.48 0.03 . 1 . . . . . . . . 5070 1 232 . 1 1 25 25 PHE HA H 1 4.73 0.03 . 1 . . . . . . . . 5070 1 233 . 1 1 25 25 PHE HB2 H 1 2.62 0.03 . 2 . . . . . . . . 5070 1 234 . 1 1 25 25 PHE HB3 H 1 3.17 0.03 . 2 . . . . . . . . 5070 1 235 . 1 1 25 25 PHE HD1 H 1 7.15 0.03 . 1 . . . . . . . . 5070 1 236 . 1 1 25 25 PHE HD2 H 1 7.15 0.03 . 1 . . . . . . . . 5070 1 237 . 1 1 25 25 PHE HE1 H 1 7.25 0.03 . 1 . . . . . . . . 5070 1 238 . 1 1 25 25 PHE HE2 H 1 7.25 0.03 . 1 . . . . . . . . 5070 1 239 . 1 1 25 25 PHE C C 13 172.8 0.2 . 1 . . . . . . . . 5070 1 240 . 1 1 25 25 PHE CA C 13 56.8 0.2 . 1 . . . . . . . . 5070 1 241 . 1 1 25 25 PHE CB C 13 42.9 0.2 . 1 . . . . . . . . 5070 1 242 . 1 1 25 25 PHE N N 15 123.7 0.2 . 1 . . . . . . . . 5070 1 243 . 1 1 26 26 VAL H H 1 7.52 0.03 . 1 . . . . . . . . 5070 1 244 . 1 1 26 26 VAL HA H 1 4.16 0.03 . 1 . . . . . . . . 5070 1 245 . 1 1 26 26 VAL HB H 1 1.56 0.03 . 1 . . . . . . . . 5070 1 246 . 1 1 26 26 VAL HG11 H 1 0.42 0.03 . 2 . . . . . . . . 5070 1 247 . 1 1 26 26 VAL HG12 H 1 0.42 0.03 . 2 . . . . . . . . 5070 1 248 . 1 1 26 26 VAL HG13 H 1 0.42 0.03 . 2 . . . . . . . . 5070 1 249 . 1 1 26 26 VAL HG21 H 1 0.63 0.03 . 2 . . . . . . . . 5070 1 250 . 1 1 26 26 VAL HG22 H 1 0.63 0.03 . 2 . . . . . . . . 5070 1 251 . 1 1 26 26 VAL HG23 H 1 0.63 0.03 . 2 . . . . . . . . 5070 1 252 . 1 1 26 26 VAL C C 13 173.9 0.2 . 1 . . . . . . . . 5070 1 253 . 1 1 26 26 VAL CA C 13 60.4 0.2 . 1 . . . . . . . . 5070 1 254 . 1 1 26 26 VAL CB C 13 31.6 0.2 . 1 . . . . . . . . 5070 1 255 . 1 1 26 26 VAL CG1 C 13 20.7 0.2 . 1 . . . . . . . . 5070 1 256 . 1 1 26 26 VAL CG2 C 13 20.7 0.2 . 1 . . . . . . . . 5070 1 257 . 1 1 26 26 VAL N N 15 127.0 0.2 . 1 . . . . . . . . 5070 1 258 . 1 1 27 27 HIS H H 1 8.47 0.03 . 1 . . . . . . . . 5070 1 259 . 1 1 27 27 HIS HA H 1 4.59 0.03 . 1 . . . . . . . . 5070 1 260 . 1 1 27 27 HIS HB2 H 1 2.48 0.03 . 2 . . . . . . . . 5070 1 261 . 1 1 27 27 HIS HB3 H 1 2.80 0.03 . 2 . . . . . . . . 5070 1 262 . 1 1 27 27 HIS HD2 H 1 6.96 0.03 . 1 . . . . . . . . 5070 1 263 . 1 1 27 27 HIS HE1 H 1 7.90 0.03 . 1 . . . . . . . . 5070 1 264 . 1 1 27 27 HIS C C 13 175.1 0.2 . 1 . . . . . . . . 5070 1 265 . 1 1 27 27 HIS CA C 13 55.4 0.2 . 1 . . . . . . . . 5070 1 266 . 1 1 27 27 HIS CB C 13 32.2 0.2 . 1 . . . . . . . . 5070 1 267 . 1 1 27 27 HIS N N 15 127.0 0.2 . 1 . . . . . . . . 5070 1 268 . 1 1 28 28 GLU H H 1 8.09 0.03 . 1 . . . . . . . . 5070 1 269 . 1 1 28 28 GLU HA H 1 4.21 0.03 . 1 . . . . . . . . 5070 1 270 . 1 1 28 28 GLU HB2 H 1 1.64 0.03 . 1 . . . . . . . . 5070 1 271 . 1 1 28 28 GLU HB3 H 1 1.64 0.03 . 1 . . . . . . . . 5070 1 272 . 1 1 28 28 GLU HG2 H 1 1.89 0.03 . 1 . . . . . . . . 5070 1 273 . 1 1 28 28 GLU HG3 H 1 1.89 0.03 . 1 . . . . . . . . 5070 1 274 . 1 1 28 28 GLU C C 13 175.3 0.2 . 1 . . . . . . . . 5070 1 275 . 1 1 28 28 GLU CA C 13 55.7 0.2 . 1 . . . . . . . . 5070 1 276 . 1 1 28 28 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 5070 1 277 . 1 1 28 28 GLU CG C 13 36.3 0.2 . 1 . . . . . . . . 5070 1 278 . 1 1 28 28 GLU N N 15 127.8 0.2 . 1 . . . . . . . . 5070 1 279 . 1 1 29 29 GLY H H 1 6.52 0.03 . 1 . . . . . . . . 5070 1 280 . 1 1 29 29 GLY HA2 H 1 3.72 0.03 . 2 . . . . . . . . 5070 1 281 . 1 1 29 29 GLY HA3 H 1 3.97 0.03 . 2 . . . . . . . . 5070 1 282 . 1 1 29 29 GLY C C 13 173.4 0.2 . 1 . . . . . . . . 5070 1 283 . 1 1 29 29 GLY CA C 13 44.0 0.2 . 1 . . . . . . . . 5070 1 284 . 1 1 29 29 GLY N N 15 105.8 0.2 . 1 . . . . . . . . 5070 1 285 . 1 1 30 30 GLY H H 1 8.14 0.03 . 1 . . . . . . . . 5070 1 286 . 1 1 30 30 GLY HA2 H 1 3.69 0.03 . 2 . . . . . . . . 5070 1 287 . 1 1 30 30 GLY HA3 H 1 4.20 0.03 . 2 . . . . . . . . 5070 1 288 . 1 1 30 30 GLY C C 13 179.0 0.2 . 1 . . . . . . . . 5070 1 289 . 1 1 30 30 GLY CA C 13 43.8 0.2 . 1 . . . . . . . . 5070 1 290 . 1 1 30 30 GLY N N 15 109.3 0.2 . 1 . . . . . . . . 5070 1 291 . 1 1 31 31 ASP H H 1 8.45 0.03 . 1 . . . . . . . . 5070 1 292 . 1 1 31 31 ASP HA H 1 4.63 0.03 . 1 . . . . . . . . 5070 1 293 . 1 1 31 31 ASP HB2 H 1 2.40 0.03 . 1 . . . . . . . . 5070 1 294 . 1 1 31 31 ASP HB3 H 1 2.40 0.03 . 1 . . . . . . . . 5070 1 295 . 1 1 31 31 ASP C C 13 176.5 0.2 . 1 . . . . . . . . 5070 1 296 . 1 1 31 31 ASP CA C 13 55.6 0.2 . 1 . . . . . . . . 5070 1 297 . 1 1 31 31 ASP CB C 13 39.5 0.2 . 1 . . . . . . . . 5070 1 298 . 1 1 31 31 ASP N N 15 126.8 0.2 . 1 . . . . . . . . 5070 1 299 . 1 1 32 32 VAL H H 1 8.20 0.03 . 1 . . . . . . . . 5070 1 300 . 1 1 32 32 VAL HA H 1 5.05 0.03 . 1 . . . . . . . . 5070 1 301 . 1 1 32 32 VAL HB H 1 1.96 0.03 . 1 . . . . . . . . 5070 1 302 . 1 1 32 32 VAL HG11 H 1 0.95 0.03 . 2 . . . . . . . . 5070 1 303 . 1 1 32 32 VAL HG12 H 1 0.95 0.03 . 2 . . . . . . . . 5070 1 304 . 1 1 32 32 VAL HG13 H 1 0.95 0.03 . 2 . . . . . . . . 5070 1 305 . 1 1 32 32 VAL HG21 H 1 0.53 0.03 . 2 . . . . . . . . 5070 1 306 . 1 1 32 32 VAL HG22 H 1 0.53 0.03 . 2 . . . . . . . . 5070 1 307 . 1 1 32 32 VAL HG23 H 1 0.53 0.03 . 2 . . . . . . . . 5070 1 308 . 1 1 32 32 VAL CA C 13 56.1 0.2 . 1 . . . . . . . . 5070 1 309 . 1 1 32 32 VAL CB C 13 35.7 0.2 . 1 . . . . . . . . 5070 1 310 . 1 1 32 32 VAL N N 15 120.6 0.2 . 1 . . . . . . . . 5070 1 311 . 1 1 33 33 PRO HA H 1 4.09 0.03 . 1 . . . . . . . . 5070 1 312 . 1 1 33 33 PRO HB2 H 1 2.13 0.03 . 2 . . . . . . . . 5070 1 313 . 1 1 33 33 PRO HB3 H 1 2.48 0.03 . 2 . . . . . . . . 5070 1 314 . 1 1 33 33 PRO HG2 H 1 1.83 0.03 . 2 . . . . . . . . 5070 1 315 . 1 1 33 33 PRO HG3 H 1 1.73 0.03 . 2 . . . . . . . . 5070 1 316 . 1 1 33 33 PRO HD2 H 1 3.53 0.03 . 2 . . . . . . . . 5070 1 317 . 1 1 33 33 PRO HD3 H 1 4.00 0.03 . 2 . . . . . . . . 5070 1 318 . 1 1 33 33 PRO C C 13 177.3 0.2 . 1 . . . . . . . . 5070 1 319 . 1 1 33 33 PRO CA C 13 62.8 0.2 . 1 . . . . . . . . 5070 1 320 . 1 1 33 33 PRO CB C 13 32.2 0.2 . 1 . . . . . . . . 5070 1 321 . 1 1 34 34 LEU H H 1 8.68 0.03 . 1 . . . . . . . . 5070 1 322 . 1 1 34 34 LEU HA H 1 3.76 0.03 . 1 . . . . . . . . 5070 1 323 . 1 1 34 34 LEU HB2 H 1 1.76 0.03 . 1 . . . . . . . . 5070 1 324 . 1 1 34 34 LEU HB3 H 1 1.76 0.03 . 1 . . . . . . . . 5070 1 325 . 1 1 34 34 LEU HG H 1 1.32 0.03 . 1 . . . . . . . . 5070 1 326 . 1 1 34 34 LEU HD11 H 1 0.66 0.03 . 2 . . . . . . . . 5070 1 327 . 1 1 34 34 LEU HD12 H 1 0.66 0.03 . 2 . . . . . . . . 5070 1 328 . 1 1 34 34 LEU HD13 H 1 0.66 0.03 . 2 . . . . . . . . 5070 1 329 . 1 1 34 34 LEU HD21 H 1 0.97 0.03 . 2 . . . . . . . . 5070 1 330 . 1 1 34 34 LEU HD22 H 1 0.97 0.03 . 2 . . . . . . . . 5070 1 331 . 1 1 34 34 LEU HD23 H 1 0.97 0.03 . 2 . . . . . . . . 5070 1 332 . 1 1 34 34 LEU C C 13 177.4 0.2 . 1 . . . . . . . . 5070 1 333 . 1 1 34 34 LEU CA C 13 57.9 0.2 . 1 . . . . . . . . 5070 1 334 . 1 1 34 34 LEU CB C 13 42.0 0.2 . 1 . . . . . . . . 5070 1 335 . 1 1 34 34 LEU CD1 C 13 22.7 0.2 . 1 . . . . . . . . 5070 1 336 . 1 1 34 34 LEU CD2 C 13 26.2 0.2 . 1 . . . . . . . . 5070 1 337 . 1 1 34 34 LEU N N 15 128.4 0.2 . 1 . . . . . . . . 5070 1 338 . 1 1 35 35 VAL H H 1 8.78 0.03 . 1 . . . . . . . . 5070 1 339 . 1 1 35 35 VAL HA H 1 3.32 0.03 . 1 . . . . . . . . 5070 1 340 . 1 1 35 35 VAL HB H 1 1.81 0.03 . 1 . . . . . . . . 5070 1 341 . 1 1 35 35 VAL HG11 H 1 0.92 0.03 . 1 . . . . . . . . 5070 1 342 . 1 1 35 35 VAL HG12 H 1 0.92 0.03 . 1 . . . . . . . . 5070 1 343 . 1 1 35 35 VAL HG13 H 1 0.92 0.03 . 1 . . . . . . . . 5070 1 344 . 1 1 35 35 VAL HG21 H 1 0.92 0.03 . 1 . . . . . . . . 5070 1 345 . 1 1 35 35 VAL HG22 H 1 0.92 0.03 . 1 . . . . . . . . 5070 1 346 . 1 1 35 35 VAL HG23 H 1 0.92 0.03 . 1 . . . . . . . . 5070 1 347 . 1 1 35 35 VAL C C 13 175.7 0.2 . 1 . . . . . . . . 5070 1 348 . 1 1 35 35 VAL CA C 13 66.3 0.2 . 1 . . . . . . . . 5070 1 349 . 1 1 35 35 VAL CB C 13 32.0 0.2 . 1 . . . . . . . . 5070 1 350 . 1 1 35 35 VAL CG1 C 13 21.0 0.2 . 2 . . . . . . . . 5070 1 351 . 1 1 35 35 VAL CG2 C 13 23.5 0.2 . 2 . . . . . . . . 5070 1 352 . 1 1 35 35 VAL N N 15 115.0 0.2 . 1 . . . . . . . . 5070 1 353 . 1 1 36 36 GLU H H 1 6.41 0.03 . 1 . . . . . . . . 5070 1 354 . 1 1 36 36 GLU HA H 1 3.87 0.03 . 1 . . . . . . . . 5070 1 355 . 1 1 36 36 GLU HB2 H 1 1.91 0.03 . 2 . . . . . . . . 5070 1 356 . 1 1 36 36 GLU HB3 H 1 1.99 0.03 . 2 . . . . . . . . 5070 1 357 . 1 1 36 36 GLU HG2 H 1 2.15 0.03 . 1 . . . . . . . . 5070 1 358 . 1 1 36 36 GLU HG3 H 1 2.15 0.03 . 1 . . . . . . . . 5070 1 359 . 1 1 36 36 GLU C C 13 178.9 0.2 . 1 . . . . . . . . 5070 1 360 . 1 1 36 36 GLU CA C 13 58.2 0.2 . 1 . . . . . . . . 5070 1 361 . 1 1 36 36 GLU CB C 13 29.2 0.2 . 1 . . . . . . . . 5070 1 362 . 1 1 36 36 GLU CG C 13 36.0 0.2 . 1 . . . . . . . . 5070 1 363 . 1 1 36 36 GLU N N 15 114.7 0.2 . 1 . . . . . . . . 5070 1 364 . 1 1 37 37 LEU H H 1 7.77 0.03 . 1 . . . . . . . . 5070 1 365 . 1 1 37 37 LEU HA H 1 3.94 0.03 . 1 . . . . . . . . 5070 1 366 . 1 1 37 37 LEU HB2 H 1 1.57 0.03 . 1 . . . . . . . . 5070 1 367 . 1 1 37 37 LEU HB3 H 1 1.57 0.03 . 1 . . . . . . . . 5070 1 368 . 1 1 37 37 LEU HG H 1 1.34 0.03 . 1 . . . . . . . . 5070 1 369 . 1 1 37 37 LEU HD21 H 1 0.64 0.03 . 2 . . . . . . . . 5070 1 370 . 1 1 37 37 LEU HD22 H 1 0.64 0.03 . 2 . . . . . . . . 5070 1 371 . 1 1 37 37 LEU HD23 H 1 0.64 0.03 . 2 . . . . . . . . 5070 1 372 . 1 1 37 37 LEU C C 13 178.0 0.2 . 1 . . . . . . . . 5070 1 373 . 1 1 37 37 LEU CA C 13 56.8 0.2 . 1 . . . . . . . . 5070 1 374 . 1 1 37 37 LEU CB C 13 41.3 0.2 . 1 . . . . . . . . 5070 1 375 . 1 1 37 37 LEU CG C 13 26.6 0.2 . 1 . . . . . . . . 5070 1 376 . 1 1 37 37 LEU CD1 C 13 23.4 0.2 . 2 . . . . . . . . 5070 1 377 . 1 1 37 37 LEU CD2 C 13 25.1 0.2 . 2 . . . . . . . . 5070 1 378 . 1 1 37 37 LEU N N 15 121.6 0.2 . 1 . . . . . . . . 5070 1 379 . 1 1 38 38 LEU H H 1 8.30 0.03 . 1 . . . . . . . . 5070 1 380 . 1 1 38 38 LEU HA H 1 3.52 0.03 . 1 . . . . . . . . 5070 1 381 . 1 1 38 38 LEU HB2 H 1 1.75 0.03 . 1 . . . . . . . . 5070 1 382 . 1 1 38 38 LEU HB3 H 1 1.75 0.03 . 1 . . . . . . . . 5070 1 383 . 1 1 38 38 LEU HG H 1 1.19 0.03 . 1 . . . . . . . . 5070 1 384 . 1 1 38 38 LEU HD11 H 1 0.60 0.03 . 2 . . . . . . . . 5070 1 385 . 1 1 38 38 LEU HD12 H 1 0.60 0.03 . 2 . . . . . . . . 5070 1 386 . 1 1 38 38 LEU HD13 H 1 0.60 0.03 . 2 . . . . . . . . 5070 1 387 . 1 1 38 38 LEU HD21 H 1 0.69 0.03 . 2 . . . . . . . . 5070 1 388 . 1 1 38 38 LEU HD22 H 1 0.69 0.03 . 2 . . . . . . . . 5070 1 389 . 1 1 38 38 LEU HD23 H 1 0.69 0.03 . 2 . . . . . . . . 5070 1 390 . 1 1 38 38 LEU C C 13 179.2 0.2 . 1 . . . . . . . . 5070 1 391 . 1 1 38 38 LEU CA C 13 57.8 0.2 . 1 . . . . . . . . 5070 1 392 . 1 1 38 38 LEU CB C 13 40.4 0.2 . 1 . . . . . . . . 5070 1 393 . 1 1 38 38 LEU CG C 13 32.0 0.2 . 1 . . . . . . . . 5070 1 394 . 1 1 38 38 LEU CD1 C 13 23.1 0.2 . 2 . . . . . . . . 5070 1 395 . 1 1 38 38 LEU CD2 C 13 26.2 0.2 . 2 . . . . . . . . 5070 1 396 . 1 1 38 38 LEU N N 15 115.0 0.2 . 1 . . . . . . . . 5070 1 397 . 1 1 39 39 VAL H H 1 6.97 0.03 . 1 . . . . . . . . 5070 1 398 . 1 1 39 39 VAL HA H 1 3.99 0.03 . 1 . . . . . . . . 5070 1 399 . 1 1 39 39 VAL HB H 1 1.90 0.03 . 1 . . . . . . . . 5070 1 400 . 1 1 39 39 VAL HG11 H 1 0.65 0.03 . 1 . . . . . . . . 5070 1 401 . 1 1 39 39 VAL HG12 H 1 0.65 0.03 . 1 . . . . . . . . 5070 1 402 . 1 1 39 39 VAL HG13 H 1 0.65 0.03 . 1 . . . . . . . . 5070 1 403 . 1 1 39 39 VAL HG21 H 1 0.65 0.03 . 1 . . . . . . . . 5070 1 404 . 1 1 39 39 VAL HG22 H 1 0.65 0.03 . 1 . . . . . . . . 5070 1 405 . 1 1 39 39 VAL HG23 H 1 0.65 0.03 . 1 . . . . . . . . 5070 1 406 . 1 1 39 39 VAL C C 13 180.3 0.2 . 1 . . . . . . . . 5070 1 407 . 1 1 39 39 VAL CA C 13 64.4 0.2 . 1 . . . . . . . . 5070 1 408 . 1 1 39 39 VAL CB C 13 31.4 0.2 . 1 . . . . . . . . 5070 1 409 . 1 1 39 39 VAL CG1 C 13 21.0 0.2 . 2 . . . . . . . . 5070 1 410 . 1 1 39 39 VAL CG2 C 13 21.9 0.2 . 9 . . . . . . . . 5070 1 411 . 1 1 39 39 VAL N N 15 117.3 0.2 . 1 . . . . . . . . 5070 1 412 . 1 1 40 40 SER H H 1 8.65 0.03 . 1 . . . . . . . . 5070 1 413 . 1 1 40 40 SER HA H 1 3.95 0.03 . 1 . . . . . . . . 5070 1 414 . 1 1 40 40 SER HB2 H 1 3.65 0.03 . 2 . . . . . . . . 5070 1 415 . 1 1 40 40 SER HB3 H 1 3.77 0.03 . 2 . . . . . . . . 5070 1 416 . 1 1 40 40 SER C C 13 178.0 0.2 . 1 . . . . . . . . 5070 1 417 . 1 1 40 40 SER CA C 13 62.2 0.2 . 1 . . . . . . . . 5070 1 418 . 1 1 40 40 SER CB C 13 62.3 0.2 . 1 . . . . . . . . 5070 1 419 . 1 1 40 40 SER N N 15 120.6 0.2 . 1 . . . . . . . . 5070 1 420 . 1 1 41 41 ALA H H 1 7.92 0.03 . 1 . . . . . . . . 5070 1 421 . 1 1 41 41 ALA HA H 1 3.08 0.03 . 1 . . . . . . . . 5070 1 422 . 1 1 41 41 ALA HB1 H 1 0.62 0.03 . 1 . . . . . . . . 5070 1 423 . 1 1 41 41 ALA HB2 H 1 0.62 0.03 . 1 . . . . . . . . 5070 1 424 . 1 1 41 41 ALA HB3 H 1 0.62 0.03 . 1 . . . . . . . . 5070 1 425 . 1 1 41 41 ALA C C 13 176.3 0.2 . 1 . . . . . . . . 5070 1 426 . 1 1 41 41 ALA CA C 13 51.4 0.2 . 1 . . . . . . . . 5070 1 427 . 1 1 41 41 ALA CB C 13 18.5 0.2 . 1 . . . . . . . . 5070 1 428 . 1 1 41 41 ALA N N 15 118.5 0.2 . 1 . . . . . . . . 5070 1 429 . 1 1 42 42 GLY H H 1 7.30 0.03 . 1 . . . . . . . . 5070 1 430 . 1 1 42 42 GLY HA2 H 1 3.61 0.03 . 2 . . . . . . . . 5070 1 431 . 1 1 42 42 GLY HA3 H 1 3.84 0.03 . 2 . . . . . . . . 5070 1 432 . 1 1 42 42 GLY C C 13 174.3 0.2 . 1 . . . . . . . . 5070 1 433 . 1 1 42 42 GLY CA C 13 44.9 0.2 . 1 . . . . . . . . 5070 1 434 . 1 1 42 42 GLY N N 15 104.7 0.2 . 1 . . . . . . . . 5070 1 435 . 1 1 43 43 ILE H H 1 7.63 0.03 . 1 . . . . . . . . 5070 1 436 . 1 1 43 43 ILE HA H 1 2.97 0.03 . 1 . . . . . . . . 5070 1 437 . 1 1 43 43 ILE HB H 1 1.40 0.03 . 1 . . . . . . . . 5070 1 438 . 1 1 43 43 ILE HG12 H 1 0.16 0.03 . 2 . . . . . . . . 5070 1 439 . 1 1 43 43 ILE HG13 H 1 -1.14 0.03 . 2 . . . . . . . . 5070 1 440 . 1 1 43 43 ILE HG21 H 1 0.32 0.03 . 1 . . . . . . . . 5070 1 441 . 1 1 43 43 ILE HG22 H 1 0.32 0.03 . 1 . . . . . . . . 5070 1 442 . 1 1 43 43 ILE HG23 H 1 0.32 0.03 . 1 . . . . . . . . 5070 1 443 . 1 1 43 43 ILE HD11 H 1 0.62 0.03 . 1 . . . . . . . . 5070 1 444 . 1 1 43 43 ILE HD12 H 1 0.62 0.03 . 1 . . . . . . . . 5070 1 445 . 1 1 43 43 ILE HD13 H 1 0.62 0.03 . 1 . . . . . . . . 5070 1 446 . 1 1 43 43 ILE C C 13 175.6 0.2 . 1 . . . . . . . . 5070 1 447 . 1 1 43 43 ILE CA C 13 63.6 0.2 . 1 . . . . . . . . 5070 1 448 . 1 1 43 43 ILE CB C 13 37.3 0.2 . 1 . . . . . . . . 5070 1 449 . 1 1 43 43 ILE N N 15 121.6 0.2 . 1 . . . . . . . . 5070 1 450 . 1 1 44 44 SER H H 1 6.91 0.03 . 1 . . . . . . . . 5070 1 451 . 1 1 44 44 SER HA H 1 4.80 0.03 . 1 . . . . . . . . 5070 1 452 . 1 1 44 44 SER HB2 H 1 2.95 0.03 . 2 . . . . . . . . 5070 1 453 . 1 1 44 44 SER HB3 H 1 3.42 0.03 . 2 . . . . . . . . 5070 1 454 . 1 1 44 44 SER CA C 13 55.3 0.2 . 1 . . . . . . . . 5070 1 455 . 1 1 44 44 SER CB C 13 64.8 0.2 . 1 . . . . . . . . 5070 1 456 . 1 1 44 44 SER N N 15 113.1 0.2 . 1 . . . . . . . . 5070 1 457 . 1 1 45 45 PRO HA H 1 4.22 0.03 . 1 . . . . . . . . 5070 1 458 . 1 1 45 45 PRO HB2 H 1 1.83 0.03 . 2 . . . . . . . . 5070 1 459 . 1 1 45 45 PRO HB3 H 1 2.24 0.03 . 2 . . . . . . . . 5070 1 460 . 1 1 45 45 PRO HG2 H 1 2.03 0.03 . 1 . . . . . . . . 5070 1 461 . 1 1 45 45 PRO HG3 H 1 2.03 0.03 . 1 . . . . . . . . 5070 1 462 . 1 1 45 45 PRO HD2 H 1 3.41 0.03 . 2 . . . . . . . . 5070 1 463 . 1 1 45 45 PRO HD3 H 1 3.63 0.03 . 2 . . . . . . . . 5070 1 464 . 1 1 45 45 PRO C C 13 175.2 0.2 . 1 . . . . . . . . 5070 1 465 . 1 1 45 45 PRO CA C 13 64.0 0.2 . 1 . . . . . . . . 5070 1 466 . 1 1 45 45 PRO CB C 13 31.9 0.2 . 1 . . . . . . . . 5070 1 467 . 1 1 46 46 SER H H 1 6.97 0.03 . 1 . . . . . . . . 5070 1 468 . 1 1 46 46 SER HA H 1 4.53 0.03 . 1 . . . . . . . . 5070 1 469 . 1 1 46 46 SER HB2 H 1 3.91 0.03 . 2 . . . . . . . . 5070 1 470 . 1 1 46 46 SER HB3 H 1 4.07 0.03 . 2 . . . . . . . . 5070 1 471 . 1 1 46 46 SER C C 13 174.0 0.2 . 1 . . . . . . . . 5070 1 472 . 1 1 46 46 SER CA C 13 55.9 0.2 . 1 . . . . . . . . 5070 1 473 . 1 1 46 46 SER CB C 13 65.9 0.2 . 1 . . . . . . . . 5070 1 474 . 1 1 46 46 SER N N 15 108.6 0.2 . 1 . . . . . . . . 5070 1 475 . 1 1 47 47 LYS HB2 H 1 1.78 0.03 . 1 . . . . . . . . 5070 1 476 . 1 1 47 47 LYS HB3 H 1 1.78 0.03 . 1 . . . . . . . . 5070 1 477 . 1 1 47 47 LYS CA C 13 60.2 0.2 . 1 . . . . . . . . 5070 1 478 . 1 1 47 47 LYS CB C 13 31.5 0.2 . 1 . . . . . . . . 5070 1 479 . 1 1 47 47 LYS CD C 13 29.4 0.2 . 1 . . . . . . . . 5070 1 480 . 1 1 47 47 LYS CE C 13 41.7 0.2 . 1 . . . . . . . . 5070 1 481 . 1 1 48 48 ARG H H 1 8.35 0.03 . 1 . . . . . . . . 5070 1 482 . 1 1 48 48 ARG HA H 1 3.84 0.03 . 1 . . . . . . . . 5070 1 483 . 1 1 48 48 ARG HB2 H 1 1.59 0.03 . 4 . . . . . . . . 5070 1 484 . 1 1 48 48 ARG HB3 H 1 1.80 0.03 . 4 . . . . . . . . 5070 1 485 . 1 1 48 48 ARG HG2 H 1 1.55 0.03 . 4 . . . . . . . . 5070 1 486 . 1 1 48 48 ARG HG3 H 1 1.43 0.03 . 2 . . . . . . . . 5070 1 487 . 1 1 48 48 ARG HD2 H 1 3.10 0.03 . 1 . . . . . . . . 5070 1 488 . 1 1 48 48 ARG HD3 H 1 3.10 0.03 . 1 . . . . . . . . 5070 1 489 . 1 1 48 48 ARG C C 13 178.5 0.2 . 1 . . . . . . . . 5070 1 490 . 1 1 48 48 ARG CA C 13 59.4 0.2 . 1 . . . . . . . . 5070 1 491 . 1 1 48 48 ARG CB C 13 29.5 0.2 . 1 . . . . . . . . 5070 1 492 . 1 1 48 48 ARG CG C 13 26.5 0.2 . 1 . . . . . . . . 5070 1 493 . 1 1 48 48 ARG CD C 13 42.9 0.2 . 1 . . . . . . . . 5070 1 494 . 1 1 48 48 ARG N N 15 118.7 0.2 . 1 . . . . . . . . 5070 1 495 . 1 1 49 49 GLN H H 1 7.79 0.03 . 1 . . . . . . . . 5070 1 496 . 1 1 49 49 GLN HA H 1 3.80 0.03 . 1 . . . . . . . . 5070 1 497 . 1 1 49 49 GLN HB2 H 1 1.79 0.03 . 2 . . . . . . . . 5070 1 498 . 1 1 49 49 GLN HB3 H 1 1.92 0.03 . 2 . . . . . . . . 5070 1 499 . 1 1 49 49 GLN HG2 H 1 2.29 0.03 . 1 . . . . . . . . 5070 1 500 . 1 1 49 49 GLN HG3 H 1 2.29 0.03 . 1 . . . . . . . . 5070 1 501 . 1 1 49 49 GLN HE21 H 1 7.02 0.03 . 2 . . . . . . . . 5070 1 502 . 1 1 49 49 GLN HE22 H 1 7.87 0.03 . 2 . . . . . . . . 5070 1 503 . 1 1 49 49 GLN C C 13 176.7 0.2 . 1 . . . . . . . . 5070 1 504 . 1 1 49 49 GLN CA C 13 57.4 0.2 . 1 . . . . . . . . 5070 1 505 . 1 1 49 49 GLN CB C 13 28.6 0.2 . 1 . . . . . . . . 5070 1 506 . 1 1 49 49 GLN CG C 13 34.1 0.2 . 1 . . . . . . . . 5070 1 507 . 1 1 49 49 GLN N N 15 118.5 0.2 . 1 . . . . . . . . 5070 1 508 . 1 1 49 49 GLN NE2 N 15 116.6 0.2 . 1 . . . . . . . . 5070 1 509 . 1 1 50 50 ALA H H 1 8.39 0.03 . 1 . . . . . . . . 5070 1 510 . 1 1 50 50 ALA HA H 1 4.08 0.03 . 1 . . . . . . . . 5070 1 511 . 1 1 50 50 ALA HB1 H 1 1.41 0.03 . 1 . . . . . . . . 5070 1 512 . 1 1 50 50 ALA HB2 H 1 1.41 0.03 . 1 . . . . . . . . 5070 1 513 . 1 1 50 50 ALA HB3 H 1 1.41 0.03 . 1 . . . . . . . . 5070 1 514 . 1 1 50 50 ALA C C 13 178.9 0.2 . 1 . . . . . . . . 5070 1 515 . 1 1 50 50 ALA CA C 13 54.9 0.2 . 1 . . . . . . . . 5070 1 516 . 1 1 50 50 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 5070 1 517 . 1 1 50 50 ALA N N 15 122.6 0.2 . 1 . . . . . . . . 5070 1 518 . 1 1 51 51 ARG H H 1 7.87 0.03 . 1 . . . . . . . . 5070 1 519 . 1 1 51 51 ARG HA H 1 3.67 0.03 . 1 . . . . . . . . 5070 1 520 . 1 1 51 51 ARG HB2 H 1 1.66 0.03 . 2 . . . . . . . . 5070 1 521 . 1 1 51 51 ARG HB3 H 1 1.81 0.03 . 2 . . . . . . . . 5070 1 522 . 1 1 51 51 ARG HG2 H 1 1.50 0.03 . 2 . . . . . . . . 5070 1 523 . 1 1 51 51 ARG HG3 H 1 1.23 0.03 . 2 . . . . . . . . 5070 1 524 . 1 1 51 51 ARG HD2 H 1 3.11 0.03 . 1 . . . . . . . . 5070 1 525 . 1 1 51 51 ARG HD3 H 1 3.11 0.03 . 1 . . . . . . . . 5070 1 526 . 1 1 51 51 ARG C C 13 178.0 0.2 . 1 . . . . . . . . 5070 1 527 . 1 1 51 51 ARG CA C 13 60.4 0.2 . 1 . . . . . . . . 5070 1 528 . 1 1 51 51 ARG CB C 13 29.9 0.2 . 1 . . . . . . . . 5070 1 529 . 1 1 51 51 ARG CG C 13 29.1 0.2 . 1 . . . . . . . . 5070 1 530 . 1 1 51 51 ARG CD C 13 43.3 0.2 . 1 . . . . . . . . 5070 1 531 . 1 1 51 51 ARG N N 15 115.0 0.2 . 1 . . . . . . . . 5070 1 532 . 1 1 52 52 GLU H H 1 7.49 0.03 . 1 . . . . . . . . 5070 1 533 . 1 1 52 52 GLU HA H 1 3.81 0.03 . 1 . . . . . . . . 5070 1 534 . 1 1 52 52 GLU HB2 H 1 1.96 0.03 . 1 . . . . . . . . 5070 1 535 . 1 1 52 52 GLU HB3 H 1 1.96 0.03 . 1 . . . . . . . . 5070 1 536 . 1 1 52 52 GLU HG2 H 1 2.28 0.03 . 2 . . . . . . . . 5070 1 537 . 1 1 52 52 GLU HG3 H 1 2.15 0.03 . 2 . . . . . . . . 5070 1 538 . 1 1 52 52 GLU C C 13 177.8 0.2 . 1 . . . . . . . . 5070 1 539 . 1 1 52 52 GLU CA C 13 59.4 0.2 . 1 . . . . . . . . 5070 1 540 . 1 1 52 52 GLU CB C 13 29.1 0.2 . 1 . . . . . . . . 5070 1 541 . 1 1 52 52 GLU CG C 13 36.4 0.2 . 1 . . . . . . . . 5070 1 542 . 1 1 52 52 GLU N N 15 118.8 0.2 . 1 . . . . . . . . 5070 1 543 . 1 1 53 53 ASP H H 1 8.88 0.03 . 1 . . . . . . . . 5070 1 544 . 1 1 53 53 ASP HA H 1 4.16 0.03 . 1 . . . . . . . . 5070 1 545 . 1 1 53 53 ASP HB2 H 1 2.21 0.03 . 2 . . . . . . . . 5070 1 546 . 1 1 53 53 ASP HB3 H 1 2.83 0.03 . 2 . . . . . . . . 5070 1 547 . 1 1 53 53 ASP C C 13 178.0 0.2 . 1 . . . . . . . . 5070 1 548 . 1 1 53 53 ASP CA C 13 57.4 0.2 . 1 . . . . . . . . 5070 1 549 . 1 1 53 53 ASP CB C 13 40.2 0.2 . 1 . . . . . . . . 5070 1 550 . 1 1 53 53 ASP N N 15 120.0 0.2 . 1 . . . . . . . . 5070 1 551 . 1 1 54 54 ILE H H 1 7.92 0.03 . 1 . . . . . . . . 5070 1 552 . 1 1 54 54 ILE HA H 1 3.60 0.03 . 1 . . . . . . . . 5070 1 553 . 1 1 54 54 ILE HB H 1 1.65 0.03 . 1 . . . . . . . . 5070 1 554 . 1 1 54 54 ILE HG12 H 1 1.27 0.03 . 2 . . . . . . . . 5070 1 555 . 1 1 54 54 ILE HG13 H 1 1.30 0.03 . 2 . . . . . . . . 5070 1 556 . 1 1 54 54 ILE HG21 H 1 0.61 0.03 . 1 . . . . . . . . 5070 1 557 . 1 1 54 54 ILE HG22 H 1 0.61 0.03 . 1 . . . . . . . . 5070 1 558 . 1 1 54 54 ILE HG23 H 1 0.61 0.03 . 1 . . . . . . . . 5070 1 559 . 1 1 54 54 ILE HD11 H 1 0.70 0.03 . 1 . . . . . . . . 5070 1 560 . 1 1 54 54 ILE HD12 H 1 0.70 0.03 . 1 . . . . . . . . 5070 1 561 . 1 1 54 54 ILE HD13 H 1 0.70 0.03 . 1 . . . . . . . . 5070 1 562 . 1 1 54 54 ILE C C 13 179.9 0.2 . 1 . . . . . . . . 5070 1 563 . 1 1 54 54 ILE CA C 13 64.6 0.2 . 1 . . . . . . . . 5070 1 564 . 1 1 54 54 ILE CB C 13 38.7 0.2 . 1 . . . . . . . . 5070 1 565 . 1 1 54 54 ILE CG1 C 13 28.9 0.2 . 1 . . . . . . . . 5070 1 566 . 1 1 54 54 ILE CG2 C 13 15.9 0.2 . 1 . . . . . . . . 5070 1 567 . 1 1 54 54 ILE CD1 C 13 15.5 0.2 . 1 . . . . . . . . 5070 1 568 . 1 1 54 54 ILE N N 15 118.3 0.2 . 1 . . . . . . . . 5070 1 569 . 1 1 55 55 GLN H H 1 8.31 0.03 . 1 . . . . . . . . 5070 1 570 . 1 1 55 55 GLN HA H 1 3.96 0.03 . 1 . . . . . . . . 5070 1 571 . 1 1 55 55 GLN HB2 H 1 2.12 0.03 . 2 . . . . . . . . 5070 1 572 . 1 1 55 55 GLN HB3 H 1 1.99 0.03 . 2 . . . . . . . . 5070 1 573 . 1 1 55 55 GLN HG2 H 1 2.37 0.03 . 1 . . . . . . . . 5070 1 574 . 1 1 55 55 GLN HG3 H 1 2.37 0.03 . 1 . . . . . . . . 5070 1 575 . 1 1 55 55 GLN HE21 H 1 6.73 0.03 . 2 . . . . . . . . 5070 1 576 . 1 1 55 55 GLN HE22 H 1 7.29 0.03 . 2 . . . . . . . . 5070 1 577 . 1 1 55 55 GLN C C 13 178.0 0.2 . 1 . . . . . . . . 5070 1 578 . 1 1 55 55 GLN CA C 13 58.8 0.2 . 1 . . . . . . . . 5070 1 579 . 1 1 55 55 GLN CB C 13 28.5 0.2 . 1 . . . . . . . . 5070 1 580 . 1 1 55 55 GLN CG C 13 34.3 0.2 . 1 . . . . . . . . 5070 1 581 . 1 1 55 55 GLN N N 15 119.0 0.2 . 1 . . . . . . . . 5070 1 582 . 1 1 55 55 GLN NE2 N 15 110.8 0.2 . 1 . . . . . . . . 5070 1 583 . 1 1 56 56 ASN H H 1 8.48 0.03 . 1 . . . . . . . . 5070 1 584 . 1 1 56 56 ASN HA H 1 4.65 0.03 . 1 . . . . . . . . 5070 1 585 . 1 1 56 56 ASN HB2 H 1 2.88 0.03 . 1 . . . . . . . . 5070 1 586 . 1 1 56 56 ASN HB3 H 1 2.88 0.03 . 1 . . . . . . . . 5070 1 587 . 1 1 56 56 ASN HD21 H 1 6.94 0.03 . 2 . . . . . . . . 5070 1 588 . 1 1 56 56 ASN HD22 H 1 7.50 0.03 . 2 . . . . . . . . 5070 1 589 . 1 1 56 56 ASN C C 13 176.4 0.2 . 1 . . . . . . . . 5070 1 590 . 1 1 56 56 ASN CA C 13 52.9 0.2 . 1 . . . . . . . . 5070 1 591 . 1 1 56 56 ASN CB C 13 38.0 0.2 . 1 . . . . . . . . 5070 1 592 . 1 1 56 56 ASN N N 15 114.8 0.2 . 1 . . . . . . . . 5070 1 593 . 1 1 56 56 ASN ND2 N 15 111.8 0.2 . 1 . . . . . . . . 5070 1 594 . 1 1 57 57 GLY H H 1 7.83 0.03 . 1 . . . . . . . . 5070 1 595 . 1 1 57 57 GLY HA2 H 1 3.82 0.03 . 2 . . . . . . . . 5070 1 596 . 1 1 57 57 GLY HA3 H 1 3.94 0.03 . 2 . . . . . . . . 5070 1 597 . 1 1 57 57 GLY C C 13 174.1 0.2 . 1 . . . . . . . . 5070 1 598 . 1 1 57 57 GLY CA C 13 46.5 0.2 . 1 . . . . . . . . 5070 1 599 . 1 1 57 57 GLY N N 15 108.9 0.2 . 1 . . . . . . . . 5070 1 600 . 1 1 58 58 ALA H H 1 7.99 0.03 . 1 . . . . . . . . 5070 1 601 . 1 1 58 58 ALA HA H 1 4.44 0.03 . 1 . . . . . . . . 5070 1 602 . 1 1 58 58 ALA HB1 H 1 1.32 0.03 . 1 . . . . . . . . 5070 1 603 . 1 1 58 58 ALA HB2 H 1 1.32 0.03 . 1 . . . . . . . . 5070 1 604 . 1 1 58 58 ALA HB3 H 1 1.32 0.03 . 1 . . . . . . . . 5070 1 605 . 1 1 58 58 ALA C C 13 176.0 0.2 . 1 . . . . . . . . 5070 1 606 . 1 1 58 58 ALA CA C 13 51.7 0.2 . 1 . . . . . . . . 5070 1 607 . 1 1 58 58 ALA CB C 13 19.4 0.2 . 1 . . . . . . . . 5070 1 608 . 1 1 58 58 ALA N N 15 118.5 0.2 . 1 . . . . . . . . 5070 1 609 . 1 1 59 59 ILE H H 1 8.66 0.03 . 1 . . . . . . . . 5070 1 610 . 1 1 59 59 ILE HA H 1 4.92 0.03 . 1 . . . . . . . . 5070 1 611 . 1 1 59 59 ILE HB H 1 2.09 0.03 . 1 . . . . . . . . 5070 1 612 . 1 1 59 59 ILE HG12 H 1 1.28 0.03 . 2 . . . . . . . . 5070 1 613 . 1 1 59 59 ILE HG13 H 1 1.10 0.03 . 2 . . . . . . . . 5070 1 614 . 1 1 59 59 ILE HG21 H 1 0.70 0.03 . 1 . . . . . . . . 5070 1 615 . 1 1 59 59 ILE HG22 H 1 0.70 0.03 . 1 . . . . . . . . 5070 1 616 . 1 1 59 59 ILE HG23 H 1 0.70 0.03 . 1 . . . . . . . . 5070 1 617 . 1 1 59 59 ILE HD11 H 1 0.57 0.03 . 1 . . . . . . . . 5070 1 618 . 1 1 59 59 ILE HD12 H 1 0.57 0.03 . 1 . . . . . . . . 5070 1 619 . 1 1 59 59 ILE HD13 H 1 0.57 0.03 . 1 . . . . . . . . 5070 1 620 . 1 1 59 59 ILE C C 13 174.0 0.2 . 1 . . . . . . . . 5070 1 621 . 1 1 59 59 ILE CA C 13 57.1 0.2 . 1 . . . . . . . . 5070 1 622 . 1 1 59 59 ILE CB C 13 36.2 0.2 . 1 . . . . . . . . 5070 1 623 . 1 1 59 59 ILE CG2 C 13 17.5 0.2 . 1 . . . . . . . . 5070 1 624 . 1 1 59 59 ILE CD1 C 13 8.2 0.2 . 1 . . . . . . . . 5070 1 625 . 1 1 59 59 ILE N N 15 118.5 0.2 . 1 . . . . . . . . 5070 1 626 . 1 1 60 60 TYR H H 1 8.95 0.03 . 1 . . . . . . . . 5070 1 627 . 1 1 60 60 TYR HA H 1 4.96 0.03 . 1 . . . . . . . . 5070 1 628 . 1 1 60 60 TYR HB2 H 1 2.20 0.03 . 2 . . . . . . . . 5070 1 629 . 1 1 60 60 TYR HB3 H 1 2.83 0.03 . 2 . . . . . . . . 5070 1 630 . 1 1 60 60 TYR HD1 H 1 6.78 0.03 . 1 . . . . . . . . 5070 1 631 . 1 1 60 60 TYR HD2 H 1 6.78 0.03 . 1 . . . . . . . . 5070 1 632 . 1 1 60 60 TYR HE1 H 1 6.66 0.03 . 1 . . . . . . . . 5070 1 633 . 1 1 60 60 TYR HE2 H 1 6.66 0.03 . 1 . . . . . . . . 5070 1 634 . 1 1 60 60 TYR C C 13 176.7 0.2 . 1 . . . . . . . . 5070 1 635 . 1 1 60 60 TYR CA C 13 55.1 0.2 . 1 . . . . . . . . 5070 1 636 . 1 1 60 60 TYR CB C 13 40.2 0.2 . 1 . . . . . . . . 5070 1 637 . 1 1 60 60 TYR N N 15 126.1 0.2 . 1 . . . . . . . . 5070 1 638 . 1 1 61 61 VAL H H 1 9.22 0.03 . 1 . . . . . . . . 5070 1 639 . 1 1 61 61 VAL HA H 1 4.58 0.03 . 1 . . . . . . . . 5070 1 640 . 1 1 61 61 VAL HB H 1 1.96 0.03 . 1 . . . . . . . . 5070 1 641 . 1 1 61 61 VAL HG11 H 1 0.72 0.03 . 1 . . . . . . . . 5070 1 642 . 1 1 61 61 VAL HG12 H 1 0.72 0.03 . 1 . . . . . . . . 5070 1 643 . 1 1 61 61 VAL HG13 H 1 0.72 0.03 . 1 . . . . . . . . 5070 1 644 . 1 1 61 61 VAL HG21 H 1 0.72 0.03 . 1 . . . . . . . . 5070 1 645 . 1 1 61 61 VAL HG22 H 1 0.72 0.03 . 1 . . . . . . . . 5070 1 646 . 1 1 61 61 VAL HG23 H 1 0.72 0.03 . 1 . . . . . . . . 5070 1 647 . 1 1 61 61 VAL C C 13 175.8 0.2 . 1 . . . . . . . . 5070 1 648 . 1 1 61 61 VAL CA C 13 61.0 0.2 . 1 . . . . . . . . 5070 1 649 . 1 1 61 61 VAL CB C 13 32.8 0.2 . 1 . . . . . . . . 5070 1 650 . 1 1 61 61 VAL CG1 C 13 21.0 0.2 . 2 . . . . . . . . 5070 1 651 . 1 1 61 61 VAL CG2 C 13 21.6 0.2 . 2 . . . . . . . . 5070 1 652 . 1 1 61 61 VAL N N 15 123.7 0.2 . 1 . . . . . . . . 5070 1 653 . 1 1 62 62 ASN H H 1 10.27 0.03 . 1 . . . . . . . . 5070 1 654 . 1 1 62 62 ASN HA H 1 4.20 0.03 . 1 . . . . . . . . 5070 1 655 . 1 1 62 62 ASN HB2 H 1 2.88 0.03 . 2 . . . . . . . . 5070 1 656 . 1 1 62 62 ASN HB3 H 1 3.22 0.03 . 2 . . . . . . . . 5070 1 657 . 1 1 62 62 ASN HD21 H 1 6.91 0.03 . 2 . . . . . . . . 5070 1 658 . 1 1 62 62 ASN HD22 H 1 8.25 0.03 . 2 . . . . . . . . 5070 1 659 . 1 1 62 62 ASN C C 13 174.7 0.2 . 1 . . . . . . . . 5070 1 660 . 1 1 62 62 ASN CA C 13 53.9 0.2 . 1 . . . . . . . . 5070 1 661 . 1 1 62 62 ASN CB C 13 36.4 0.2 . 1 . . . . . . . . 5070 1 662 . 1 1 62 62 ASN N N 15 128.4 0.2 . 1 . . . . . . . . 5070 1 663 . 1 1 62 62 ASN ND2 N 15 111.3 0.2 . 1 . . . . . . . . 5070 1 664 . 1 1 63 63 GLY H H 1 9.18 0.03 . 1 . . . . . . . . 5070 1 665 . 1 1 63 63 GLY HA2 H 1 3.65 0.03 . 2 . . . . . . . . 5070 1 666 . 1 1 63 63 GLY HA3 H 1 4.41 0.03 . 2 . . . . . . . . 5070 1 667 . 1 1 63 63 GLY C C 13 173.5 0.2 . 1 . . . . . . . . 5070 1 668 . 1 1 63 63 GLY CA C 13 44.9 0.2 . 1 . . . . . . . . 5070 1 669 . 1 1 63 63 GLY N N 15 103.2 0.2 . 1 . . . . . . . . 5070 1 670 . 1 1 64 64 GLU H H 1 7.86 0.03 . 1 . . . . . . . . 5070 1 671 . 1 1 64 64 GLU HA H 1 4.26 0.03 . 1 . . . . . . . . 5070 1 672 . 1 1 64 64 GLU HB2 H 1 2.25 0.03 . 1 . . . . . . . . 5070 1 673 . 1 1 64 64 GLU HB3 H 1 2.25 0.03 . 1 . . . . . . . . 5070 1 674 . 1 1 64 64 GLU HG2 H 1 2.08 0.03 . 1 . . . . . . . . 5070 1 675 . 1 1 64 64 GLU HG3 H 1 2.08 0.03 . 1 . . . . . . . . 5070 1 676 . 1 1 64 64 GLU C C 13 175.2 0.2 . 1 . . . . . . . . 5070 1 677 . 1 1 64 64 GLU CA C 13 54.4 0.2 . 1 . . . . . . . . 5070 1 678 . 1 1 64 64 GLU CB C 13 31.8 0.2 . 1 . . . . . . . . 5070 1 679 . 1 1 64 64 GLU CG C 13 35.5 0.2 . 1 . . . . . . . . 5070 1 680 . 1 1 64 64 GLU N N 15 121.1 0.2 . 1 . . . . . . . . 5070 1 681 . 1 1 65 65 ARG H H 1 8.86 0.03 . 1 . . . . . . . . 5070 1 682 . 1 1 65 65 ARG HA H 1 3.56 0.03 . 1 . . . . . . . . 5070 1 683 . 1 1 65 65 ARG HB2 H 1 1.37 0.03 . 2 . . . . . . . . 5070 1 684 . 1 1 65 65 ARG HB3 H 1 1.63 0.03 . 2 . . . . . . . . 5070 1 685 . 1 1 65 65 ARG HG2 H 1 0.75 0.03 . 2 . . . . . . . . 5070 1 686 . 1 1 65 65 ARG HG3 H 1 0.97 0.03 . 2 . . . . . . . . 5070 1 687 . 1 1 65 65 ARG HD2 H 1 3.00 0.03 . 1 . . . . . . . . 5070 1 688 . 1 1 65 65 ARG HD3 H 1 3.00 0.03 . 1 . . . . . . . . 5070 1 689 . 1 1 65 65 ARG C C 13 175.1 0.2 . 1 . . . . . . . . 5070 1 690 . 1 1 65 65 ARG CA C 13 56.6 0.2 . 1 . . . . . . . . 5070 1 691 . 1 1 65 65 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 5070 1 692 . 1 1 65 65 ARG CG C 13 26.4 0.2 . 1 . . . . . . . . 5070 1 693 . 1 1 65 65 ARG CD C 13 43.8 0.2 . 1 . . . . . . . . 5070 1 694 . 1 1 65 65 ARG N N 15 128.4 0.2 . 1 . . . . . . . . 5070 1 695 . 1 1 66 66 LEU H H 1 7.82 0.03 . 1 . . . . . . . . 5070 1 696 . 1 1 66 66 LEU HA H 1 4.54 0.03 . 1 . . . . . . . . 5070 1 697 . 1 1 66 66 LEU HB2 H 1 1.48 0.03 . 1 . . . . . . . . 5070 1 698 . 1 1 66 66 LEU HB3 H 1 1.48 0.03 . 1 . . . . . . . . 5070 1 699 . 1 1 66 66 LEU HG H 1 1.28 0.03 . 1 . . . . . . . . 5070 1 700 . 1 1 66 66 LEU HD11 H 1 0.73 0.03 . 2 . . . . . . . . 5070 1 701 . 1 1 66 66 LEU HD12 H 1 0.73 0.03 . 2 . . . . . . . . 5070 1 702 . 1 1 66 66 LEU HD13 H 1 0.73 0.03 . 2 . . . . . . . . 5070 1 703 . 1 1 66 66 LEU HD21 H 1 0.78 0.03 . 2 . . . . . . . . 5070 1 704 . 1 1 66 66 LEU HD22 H 1 0.78 0.03 . 2 . . . . . . . . 5070 1 705 . 1 1 66 66 LEU HD23 H 1 0.78 0.03 . 2 . . . . . . . . 5070 1 706 . 1 1 66 66 LEU C C 13 175.0 0.2 . 1 . . . . . . . . 5070 1 707 . 1 1 66 66 LEU CA C 13 54.0 0.2 . 1 . . . . . . . . 5070 1 708 . 1 1 66 66 LEU CB C 13 42.7 0.2 . 1 . . . . . . . . 5070 1 709 . 1 1 66 66 LEU CG C 13 34.5 0.2 . 1 . . . . . . . . 5070 1 710 . 1 1 66 66 LEU CD1 C 13 24.1 0.2 . 2 . . . . . . . . 5070 1 711 . 1 1 66 66 LEU CD2 C 13 27.7 0.2 . 2 . . . . . . . . 5070 1 712 . 1 1 66 66 LEU N N 15 131.2 0.2 . 1 . . . . . . . . 5070 1 713 . 1 1 67 67 GLN H H 1 8.40 0.03 . 1 . . . . . . . . 5070 1 714 . 1 1 67 67 GLN HA H 1 4.67 0.03 . 1 . . . . . . . . 5070 1 715 . 1 1 67 67 GLN HB2 H 1 1.68 0.03 . 2 . . . . . . . . 5070 1 716 . 1 1 67 67 GLN HB3 H 1 2.21 0.03 . 2 . . . . . . . . 5070 1 717 . 1 1 67 67 GLN HG2 H 1 2.34 0.03 . 2 . . . . . . . . 5070 1 718 . 1 1 67 67 GLN HG3 H 1 2.04 0.03 . 2 . . . . . . . . 5070 1 719 . 1 1 67 67 GLN HE21 H 1 6.75 0.03 . 2 . . . . . . . . 5070 1 720 . 1 1 67 67 GLN HE22 H 1 7.39 0.03 . 2 . . . . . . . . 5070 1 721 . 1 1 67 67 GLN C C 13 174.1 0.2 . 1 . . . . . . . . 5070 1 722 . 1 1 67 67 GLN CA C 13 54.6 0.2 . 1 . . . . . . . . 5070 1 723 . 1 1 67 67 GLN CB C 13 30.8 0.2 . 1 . . . . . . . . 5070 1 724 . 1 1 67 67 GLN CG C 13 35.1 0.2 . 1 . . . . . . . . 5070 1 725 . 1 1 67 67 GLN N N 15 120.7 0.2 . 1 . . . . . . . . 5070 1 726 . 1 1 67 67 GLN NE2 N 15 111.6 0.2 . 1 . . . . . . . . 5070 1 727 . 1 1 68 68 ASP H H 1 6.43 0.03 . 1 . . . . . . . . 5070 1 728 . 1 1 68 68 ASP HA H 1 4.68 0.03 . 1 . . . . . . . . 5070 1 729 . 1 1 68 68 ASP HB2 H 1 2.52 0.03 . 2 . . . . . . . . 5070 1 730 . 1 1 68 68 ASP HB3 H 1 2.63 0.03 . 2 . . . . . . . . 5070 1 731 . 1 1 68 68 ASP C C 13 176.2 0.2 . 1 . . . . . . . . 5070 1 732 . 1 1 68 68 ASP CA C 13 52.1 0.2 . 1 . . . . . . . . 5070 1 733 . 1 1 68 68 ASP CB C 13 41.3 0.2 . 1 . . . . . . . . 5070 1 734 . 1 1 68 68 ASP N N 15 118.6 0.2 . 1 . . . . . . . . 5070 1 735 . 1 1 69 69 VAL H H 1 8.43 0.03 . 1 . . . . . . . . 5070 1 736 . 1 1 69 69 VAL HA H 1 3.74 0.03 . 1 . . . . . . . . 5070 1 737 . 1 1 69 69 VAL HB H 1 2.06 0.03 . 1 . . . . . . . . 5070 1 738 . 1 1 69 69 VAL HG11 H 1 0.96 0.03 . 1 . . . . . . . . 5070 1 739 . 1 1 69 69 VAL HG12 H 1 0.96 0.03 . 1 . . . . . . . . 5070 1 740 . 1 1 69 69 VAL HG13 H 1 0.96 0.03 . 1 . . . . . . . . 5070 1 741 . 1 1 69 69 VAL HG21 H 1 0.96 0.03 . 1 . . . . . . . . 5070 1 742 . 1 1 69 69 VAL HG22 H 1 0.96 0.03 . 1 . . . . . . . . 5070 1 743 . 1 1 69 69 VAL HG23 H 1 0.96 0.03 . 1 . . . . . . . . 5070 1 744 . 1 1 69 69 VAL C C 13 176.6 0.2 . 1 . . . . . . . . 5070 1 745 . 1 1 69 69 VAL CA C 13 64.1 0.2 . 1 . . . . . . . . 5070 1 746 . 1 1 69 69 VAL CB C 13 31.3 0.2 . 1 . . . . . . . . 5070 1 747 . 1 1 69 69 VAL CG1 C 13 20.1 0.2 . 2 . . . . . . . . 5070 1 748 . 1 1 69 69 VAL CG2 C 13 21.8 0.2 . 2 . . . . . . . . 5070 1 749 . 1 1 69 69 VAL N N 15 122.8 0.2 . 1 . . . . . . . . 5070 1 750 . 1 1 70 70 GLY H H 1 8.54 0.03 . 1 . . . . . . . . 5070 1 751 . 1 1 70 70 GLY HA2 H 1 3.51 0.03 . 2 . . . . . . . . 5070 1 752 . 1 1 70 70 GLY HA3 H 1 4.21 0.03 . 2 . . . . . . . . 5070 1 753 . 1 1 70 70 GLY C C 13 174.3 0.2 . 1 . . . . . . . . 5070 1 754 . 1 1 70 70 GLY CA C 13 44.1 0.2 . 1 . . . . . . . . 5070 1 755 . 1 1 70 70 GLY N N 15 109.3 0.2 . 1 . . . . . . . . 5070 1 756 . 1 1 71 71 ALA H H 1 7.35 0.03 . 1 . . . . . . . . 5070 1 757 . 1 1 71 71 ALA HA H 1 3.98 0.03 . 1 . . . . . . . . 5070 1 758 . 1 1 71 71 ALA HB1 H 1 1.30 0.03 . 1 . . . . . . . . 5070 1 759 . 1 1 71 71 ALA HB2 H 1 1.30 0.03 . 1 . . . . . . . . 5070 1 760 . 1 1 71 71 ALA HB3 H 1 1.30 0.03 . 1 . . . . . . . . 5070 1 761 . 1 1 71 71 ALA C C 13 177.1 0.2 . 1 . . . . . . . . 5070 1 762 . 1 1 71 71 ALA CA C 13 53.2 0.2 . 1 . . . . . . . . 5070 1 763 . 1 1 71 71 ALA CB C 13 19.2 0.2 . 1 . . . . . . . . 5070 1 764 . 1 1 71 71 ALA N N 15 122.1 0.2 . 1 . . . . . . . . 5070 1 765 . 1 1 72 72 ILE H H 1 8.34 0.03 . 1 . . . . . . . . 5070 1 766 . 1 1 72 72 ILE HA H 1 4.10 0.03 . 1 . . . . . . . . 5070 1 767 . 1 1 72 72 ILE HB H 1 1.66 0.03 . 1 . . . . . . . . 5070 1 768 . 1 1 72 72 ILE HG12 H 1 1.52 0.03 . 2 . . . . . . . . 5070 1 769 . 1 1 72 72 ILE HG13 H 1 1.04 0.03 . 2 . . . . . . . . 5070 1 770 . 1 1 72 72 ILE HG21 H 1 0.63 0.03 . 1 . . . . . . . . 5070 1 771 . 1 1 72 72 ILE HG22 H 1 0.63 0.03 . 1 . . . . . . . . 5070 1 772 . 1 1 72 72 ILE HG23 H 1 0.63 0.03 . 1 . . . . . . . . 5070 1 773 . 1 1 72 72 ILE HD11 H 1 0.75 0.03 . 1 . . . . . . . . 5070 1 774 . 1 1 72 72 ILE HD12 H 1 0.75 0.03 . 1 . . . . . . . . 5070 1 775 . 1 1 72 72 ILE HD13 H 1 0.75 0.03 . 1 . . . . . . . . 5070 1 776 . 1 1 72 72 ILE C C 13 175.0 0.2 . 1 . . . . . . . . 5070 1 777 . 1 1 72 72 ILE CA C 13 59.2 0.2 . 1 . . . . . . . . 5070 1 778 . 1 1 72 72 ILE CB C 13 39.5 0.2 . 1 . . . . . . . . 5070 1 779 . 1 1 72 72 ILE CG1 C 13 27.2 0.2 . 1 . . . . . . . . 5070 1 780 . 1 1 72 72 ILE CG2 C 13 17.5 0.2 . 1 . . . . . . . . 5070 1 781 . 1 1 72 72 ILE CD1 C 13 11.7 0.2 . 1 . . . . . . . . 5070 1 782 . 1 1 72 72 ILE N N 15 123.9 0.2 . 1 . . . . . . . . 5070 1 783 . 1 1 73 73 LEU H H 1 8.72 0.03 . 1 . . . . . . . . 5070 1 784 . 1 1 73 73 LEU HA H 1 4.60 0.03 . 1 . . . . . . . . 5070 1 785 . 1 1 73 73 LEU HB2 H 1 1.35 0.03 . 2 . . . . . . . . 5070 1 786 . 1 1 73 73 LEU HB3 H 1 1.73 0.03 . 2 . . . . . . . . 5070 1 787 . 1 1 73 73 LEU HG H 1 1.27 0.03 . 1 . . . . . . . . 5070 1 788 . 1 1 73 73 LEU HD11 H 1 0.22 0.03 . 2 . . . . . . . . 5070 1 789 . 1 1 73 73 LEU HD12 H 1 0.22 0.03 . 2 . . . . . . . . 5070 1 790 . 1 1 73 73 LEU HD13 H 1 0.22 0.03 . 2 . . . . . . . . 5070 1 791 . 1 1 73 73 LEU HD21 H 1 0.60 0.03 . 2 . . . . . . . . 5070 1 792 . 1 1 73 73 LEU HD22 H 1 0.60 0.03 . 2 . . . . . . . . 5070 1 793 . 1 1 73 73 LEU HD23 H 1 0.60 0.03 . 2 . . . . . . . . 5070 1 794 . 1 1 73 73 LEU C C 13 176.7 0.2 . 1 . . . . . . . . 5070 1 795 . 1 1 73 73 LEU CA C 13 53.5 0.2 . 1 . . . . . . . . 5070 1 796 . 1 1 73 73 LEU CB C 13 40.5 0.2 . 1 . . . . . . . . 5070 1 797 . 1 1 73 73 LEU CG C 13 26.7 0.2 . 1 . . . . . . . . 5070 1 798 . 1 1 73 73 LEU CD1 C 13 21.9 0.2 . 2 . . . . . . . . 5070 1 799 . 1 1 73 73 LEU CD2 C 13 25.9 0.2 . 2 . . . . . . . . 5070 1 800 . 1 1 73 73 LEU N N 15 126.5 0.2 . 1 . . . . . . . . 5070 1 801 . 1 1 74 74 THR H H 1 10.43 0.03 . 1 . . . . . . . . 5070 1 802 . 1 1 74 74 THR HA H 1 4.92 0.03 . 1 . . . . . . . . 5070 1 803 . 1 1 74 74 THR HB H 1 4.50 0.03 . 1 . . . . . . . . 5070 1 804 . 1 1 74 74 THR HG21 H 1 1.09 0.03 . 1 . . . . . . . . 5070 1 805 . 1 1 74 74 THR HG22 H 1 1.09 0.03 . 1 . . . . . . . . 5070 1 806 . 1 1 74 74 THR HG23 H 1 1.09 0.03 . 1 . . . . . . . . 5070 1 807 . 1 1 74 74 THR C C 13 177.4 0.2 . 1 . . . . . . . . 5070 1 808 . 1 1 74 74 THR CA C 13 59.4 0.2 . 1 . . . . . . . . 5070 1 809 . 1 1 74 74 THR CB C 13 71.6 0.2 . 1 . . . . . . . . 5070 1 810 . 1 1 74 74 THR CG2 C 13 20.9 0.2 . 1 . . . . . . . . 5070 1 811 . 1 1 74 74 THR N N 15 119.2 0.2 . 1 . . . . . . . . 5070 1 812 . 1 1 75 75 ALA H H 1 8.89 0.03 . 1 . . . . . . . . 5070 1 813 . 1 1 75 75 ALA HA H 1 3.57 0.03 . 1 . . . . . . . . 5070 1 814 . 1 1 75 75 ALA HB1 H 1 1.33 0.03 . 1 . . . . . . . . 5070 1 815 . 1 1 75 75 ALA HB2 H 1 1.33 0.03 . 1 . . . . . . . . 5070 1 816 . 1 1 75 75 ALA HB3 H 1 1.33 0.03 . 1 . . . . . . . . 5070 1 817 . 1 1 75 75 ALA C C 13 180.1 0.2 . 1 . . . . . . . . 5070 1 818 . 1 1 75 75 ALA CA C 13 55.8 0.2 . 1 . . . . . . . . 5070 1 819 . 1 1 75 75 ALA CB C 13 17.7 0.2 . 1 . . . . . . . . 5070 1 820 . 1 1 75 75 ALA N N 15 124.4 0.2 . 1 . . . . . . . . 5070 1 821 . 1 1 76 76 GLU H H 1 8.20 0.03 . 1 . . . . . . . . 5070 1 822 . 1 1 76 76 GLU HA H 1 3.86 0.03 . 1 . . . . . . . . 5070 1 823 . 1 1 76 76 GLU HB2 H 1 1.54 0.03 . 1 . . . . . . . . 5070 1 824 . 1 1 76 76 GLU HB3 H 1 1.54 0.03 . 1 . . . . . . . . 5070 1 825 . 1 1 76 76 GLU HG2 H 1 1.82 0.03 . 1 . . . . . . . . 5070 1 826 . 1 1 76 76 GLU HG3 H 1 1.82 0.03 . 1 . . . . . . . . 5070 1 827 . 1 1 76 76 GLU C C 13 177.0 0.2 . 1 . . . . . . . . 5070 1 828 . 1 1 76 76 GLU CA C 13 58.1 0.2 . 1 . . . . . . . . 5070 1 829 . 1 1 76 76 GLU CB C 13 28.7 0.2 . 1 . . . . . . . . 5070 1 830 . 1 1 76 76 GLU CG C 13 35.7 0.2 . 1 . . . . . . . . 5070 1 831 . 1 1 76 76 GLU N N 15 115.7 0.2 . 1 . . . . . . . . 5070 1 832 . 1 1 77 77 HIS H H 1 7.57 0.03 . 1 . . . . . . . . 5070 1 833 . 1 1 77 77 HIS HA H 1 4.39 0.03 . 1 . . . . . . . . 5070 1 834 . 1 1 77 77 HIS HB2 H 1 2.80 0.03 . 2 . . . . . . . . 5070 1 835 . 1 1 77 77 HIS HB3 H 1 3.22 0.03 . 2 . . . . . . . . 5070 1 836 . 1 1 77 77 HIS HD2 H 1 7.10 0.03 . 1 . . . . . . . . 5070 1 837 . 1 1 77 77 HIS HE1 H 1 7.80 0.03 . 1 . . . . . . . . 5070 1 838 . 1 1 77 77 HIS C C 13 175.6 0.2 . 1 . . . . . . . . 5070 1 839 . 1 1 77 77 HIS CA C 13 57.5 0.2 . 1 . . . . . . . . 5070 1 840 . 1 1 77 77 HIS CB C 13 31.4 0.2 . 1 . . . . . . . . 5070 1 841 . 1 1 77 77 HIS N N 15 115.5 0.2 . 1 . . . . . . . . 5070 1 842 . 1 1 78 78 ARG H H 1 7.57 0.03 . 1 . . . . . . . . 5070 1 843 . 1 1 78 78 ARG HA H 1 4.42 0.03 . 1 . . . . . . . . 5070 1 844 . 1 1 78 78 ARG HB2 H 1 1.95 0.03 . 2 . . . . . . . . 5070 1 845 . 1 1 78 78 ARG HB3 H 1 2.34 0.03 . 2 . . . . . . . . 5070 1 846 . 1 1 78 78 ARG HD2 H 1 3.00 0.03 . 1 . . . . . . . . 5070 1 847 . 1 1 78 78 ARG HD3 H 1 3.00 0.03 . 1 . . . . . . . . 5070 1 848 . 1 1 78 78 ARG C C 13 175.2 0.2 . 1 . . . . . . . . 5070 1 849 . 1 1 78 78 ARG CA C 13 54.2 0.2 . 1 . . . . . . . . 5070 1 850 . 1 1 78 78 ARG CB C 13 29.0 0.2 . 1 . . . . . . . . 5070 1 851 . 1 1 78 78 ARG CG C 13 25.4 0.2 . 1 . . . . . . . . 5070 1 852 . 1 1 78 78 ARG CD C 13 43.3 0.2 . 1 . . . . . . . . 5070 1 853 . 1 1 78 78 ARG N N 15 122.5 0.2 . 1 . . . . . . . . 5070 1 854 . 1 1 79 79 LEU H H 1 9.85 0.03 . 1 . . . . . . . . 5070 1 855 . 1 1 79 79 LEU HA H 1 4.30 0.03 . 1 . . . . . . . . 5070 1 856 . 1 1 79 79 LEU HB2 H 1 1.65 0.03 . 2 . . . . . . . . 5070 1 857 . 1 1 79 79 LEU HB3 H 1 1.77 0.03 . 2 . . . . . . . . 5070 1 858 . 1 1 79 79 LEU HG H 1 1.42 0.03 . 1 . . . . . . . . 5070 1 859 . 1 1 79 79 LEU HD11 H 1 0.76 0.03 . 1 . . . . . . . . 5070 1 860 . 1 1 79 79 LEU HD12 H 1 0.76 0.03 . 1 . . . . . . . . 5070 1 861 . 1 1 79 79 LEU HD13 H 1 0.76 0.03 . 1 . . . . . . . . 5070 1 862 . 1 1 79 79 LEU HD21 H 1 0.76 0.03 . 1 . . . . . . . . 5070 1 863 . 1 1 79 79 LEU HD22 H 1 0.76 0.03 . 1 . . . . . . . . 5070 1 864 . 1 1 79 79 LEU HD23 H 1 0.76 0.03 . 1 . . . . . . . . 5070 1 865 . 1 1 79 79 LEU C C 13 178.6 0.2 . 1 . . . . . . . . 5070 1 866 . 1 1 79 79 LEU CA C 13 55.7 0.2 . 1 . . . . . . . . 5070 1 867 . 1 1 79 79 LEU CB C 13 40.0 0.2 . 1 . . . . . . . . 5070 1 868 . 1 1 79 79 LEU CG C 13 26.3 0.2 . 1 . . . . . . . . 5070 1 869 . 1 1 79 79 LEU CD1 C 13 22.3 0.2 . 1 . . . . . . . . 5070 1 870 . 1 1 79 79 LEU CD2 C 13 22.3 0.2 . 1 . . . . . . . . 5070 1 871 . 1 1 79 79 LEU N N 15 129.1 0.2 . 1 . . . . . . . . 5070 1 872 . 1 1 80 80 GLU H H 1 9.58 0.03 . 1 . . . . . . . . 5070 1 873 . 1 1 80 80 GLU HA H 1 3.94 0.03 . 1 . . . . . . . . 5070 1 874 . 1 1 80 80 GLU HB2 H 1 2.05 0.03 . 1 . . . . . . . . 5070 1 875 . 1 1 80 80 GLU HB3 H 1 2.05 0.03 . 1 . . . . . . . . 5070 1 876 . 1 1 80 80 GLU HG2 H 1 2.24 0.03 . 2 . . . . . . . . 5070 1 877 . 1 1 80 80 GLU HG3 H 1 2.38 0.03 . 2 . . . . . . . . 5070 1 878 . 1 1 80 80 GLU C C 13 175.6 0.2 . 1 . . . . . . . . 5070 1 879 . 1 1 80 80 GLU CA C 13 57.4 0.2 . 1 . . . . . . . . 5070 1 880 . 1 1 80 80 GLU CB C 13 27.9 0.2 . 1 . . . . . . . . 5070 1 881 . 1 1 80 80 GLU CG C 13 36.8 0.2 . 1 . . . . . . . . 5070 1 882 . 1 1 80 80 GLU N N 15 123.5 0.2 . 1 . . . . . . . . 5070 1 883 . 1 1 81 81 GLY H H 1 7.90 0.03 . 1 . . . . . . . . 5070 1 884 . 1 1 81 81 GLY HA2 H 1 3.51 0.03 . 2 . . . . . . . . 5070 1 885 . 1 1 81 81 GLY HA3 H 1 4.04 0.03 . 2 . . . . . . . . 5070 1 886 . 1 1 81 81 GLY C C 13 175.0 0.2 . 1 . . . . . . . . 5070 1 887 . 1 1 81 81 GLY CA C 13 45.8 0.2 . 1 . . . . . . . . 5070 1 888 . 1 1 81 81 GLY N N 15 104.2 0.2 . 1 . . . . . . . . 5070 1 889 . 1 1 82 82 ARG H H 1 8.00 0.03 . 1 . . . . . . . . 5070 1 890 . 1 1 82 82 ARG HA H 1 4.44 0.03 . 1 . . . . . . . . 5070 1 891 . 1 1 82 82 ARG HB2 H 1 1.38 0.03 . 1 . . . . . . . . 5070 1 892 . 1 1 82 82 ARG HB3 H 1 1.38 0.03 . 1 . . . . . . . . 5070 1 893 . 1 1 82 82 ARG HG2 H 1 1.20 0.03 . 1 . . . . . . . . 5070 1 894 . 1 1 82 82 ARG HG3 H 1 1.20 0.03 . 1 . . . . . . . . 5070 1 895 . 1 1 82 82 ARG HD2 H 1 2.97 0.03 . 1 . . . . . . . . 5070 1 896 . 1 1 82 82 ARG HD3 H 1 2.97 0.03 . 1 . . . . . . . . 5070 1 897 . 1 1 82 82 ARG C C 13 175.8 0.2 . 1 . . . . . . . . 5070 1 898 . 1 1 82 82 ARG CA C 13 57.9 0.2 . 1 . . . . . . . . 5070 1 899 . 1 1 82 82 ARG CB C 13 34.5 0.2 . 1 . . . . . . . . 5070 1 900 . 1 1 82 82 ARG CG C 13 26.9 0.2 . 1 . . . . . . . . 5070 1 901 . 1 1 82 82 ARG CD C 13 43.4 0.2 . 1 . . . . . . . . 5070 1 902 . 1 1 82 82 ARG N N 15 117.4 0.2 . 1 . . . . . . . . 5070 1 903 . 1 1 83 83 PHE H H 1 7.66 0.03 . 1 . . . . . . . . 5070 1 904 . 1 1 83 83 PHE HA H 1 6.28 0.03 . 1 . . . . . . . . 5070 1 905 . 1 1 83 83 PHE HB2 H 1 2.71 0.03 . 2 . . . . . . . . 5070 1 906 . 1 1 83 83 PHE HB3 H 1 3.14 0.03 . 2 . . . . . . . . 5070 1 907 . 1 1 83 83 PHE HD1 H 1 7.14 0.03 . 1 . . . . . . . . 5070 1 908 . 1 1 83 83 PHE HD2 H 1 7.14 0.03 . 1 . . . . . . . . 5070 1 909 . 1 1 83 83 PHE HE1 H 1 6.92 0.03 . 1 . . . . . . . . 5070 1 910 . 1 1 83 83 PHE HE2 H 1 6.92 0.03 . 1 . . . . . . . . 5070 1 911 . 1 1 83 83 PHE C C 13 175.2 0.2 . 1 . . . . . . . . 5070 1 912 . 1 1 83 83 PHE CA C 13 56.0 0.2 . 1 . . . . . . . . 5070 1 913 . 1 1 83 83 PHE CB C 13 44.4 0.2 . 1 . . . . . . . . 5070 1 914 . 1 1 83 83 PHE N N 15 115.3 0.2 . 1 . . . . . . . . 5070 1 915 . 1 1 84 84 THR H H 1 9.46 0.03 . 1 . . . . . . . . 5070 1 916 . 1 1 84 84 THR HA H 1 4.99 0.03 . 1 . . . . . . . . 5070 1 917 . 1 1 84 84 THR HB H 1 3.70 0.03 . 1 . . . . . . . . 5070 1 918 . 1 1 84 84 THR HG21 H 1 1.28 0.03 . 1 . . . . . . . . 5070 1 919 . 1 1 84 84 THR HG22 H 1 1.28 0.03 . 1 . . . . . . . . 5070 1 920 . 1 1 84 84 THR HG23 H 1 1.28 0.03 . 1 . . . . . . . . 5070 1 921 . 1 1 84 84 THR C C 13 172.1 0.2 . 1 . . . . . . . . 5070 1 922 . 1 1 84 84 THR CA C 13 62.4 0.2 . 1 . . . . . . . . 5070 1 923 . 1 1 84 84 THR CB C 13 72.6 0.2 . 1 . . . . . . . . 5070 1 924 . 1 1 84 84 THR CG2 C 13 23.0 0.2 . 1 . . . . . . . . 5070 1 925 . 1 1 84 84 THR N N 15 118.3 0.2 . 1 . . . . . . . . 5070 1 926 . 1 1 85 85 VAL H H 1 9.15 0.03 . 1 . . . . . . . . 5070 1 927 . 1 1 85 85 VAL HA H 1 4.60 0.03 . 1 . . . . . . . . 5070 1 928 . 1 1 85 85 VAL HB H 1 1.89 0.03 . 1 . . . . . . . . 5070 1 929 . 1 1 85 85 VAL HG11 H 1 0.75 0.03 . 2 . . . . . . . . 5070 1 930 . 1 1 85 85 VAL HG12 H 1 0.75 0.03 . 2 . . . . . . . . 5070 1 931 . 1 1 85 85 VAL HG13 H 1 0.75 0.03 . 2 . . . . . . . . 5070 1 932 . 1 1 85 85 VAL HG21 H 1 0.45 0.03 . 2 . . . . . . . . 5070 1 933 . 1 1 85 85 VAL HG22 H 1 0.45 0.03 . 2 . . . . . . . . 5070 1 934 . 1 1 85 85 VAL HG23 H 1 0.45 0.03 . 2 . . . . . . . . 5070 1 935 . 1 1 85 85 VAL C C 13 175.0 0.2 . 1 . . . . . . . . 5070 1 936 . 1 1 85 85 VAL CA C 13 61.5 0.2 . 1 . . . . . . . . 5070 1 937 . 1 1 85 85 VAL CB C 13 33.0 0.2 . 1 . . . . . . . . 5070 1 938 . 1 1 85 85 VAL CG1 C 13 20.7 0.2 . 1 . . . . . . . . 5070 1 939 . 1 1 85 85 VAL CG2 C 13 21.6 0.2 . 1 . . . . . . . . 5070 1 940 . 1 1 85 85 VAL N N 15 127.5 0.2 . 1 . . . . . . . . 5070 1 941 . 1 1 86 86 ILE H H 1 9.05 0.03 . 1 . . . . . . . . 5070 1 942 . 1 1 86 86 ILE HA H 1 5.23 0.03 . 1 . . . . . . . . 5070 1 943 . 1 1 86 86 ILE HB H 1 1.60 0.03 . 1 . . . . . . . . 5070 1 944 . 1 1 86 86 ILE HG12 H 1 1.38 0.03 . 2 . . . . . . . . 5070 1 945 . 1 1 86 86 ILE HG13 H 1 1.01 0.03 . 2 . . . . . . . . 5070 1 946 . 1 1 86 86 ILE HG21 H 1 0.76 0.03 . 1 . . . . . . . . 5070 1 947 . 1 1 86 86 ILE HG22 H 1 0.76 0.03 . 1 . . . . . . . . 5070 1 948 . 1 1 86 86 ILE HG23 H 1 0.76 0.03 . 1 . . . . . . . . 5070 1 949 . 1 1 86 86 ILE HD11 H 1 0.47 0.03 . 1 . . . . . . . . 5070 1 950 . 1 1 86 86 ILE HD12 H 1 0.47 0.03 . 1 . . . . . . . . 5070 1 951 . 1 1 86 86 ILE HD13 H 1 0.47 0.03 . 1 . . . . . . . . 5070 1 952 . 1 1 86 86 ILE C C 13 173.6 0.2 . 1 . . . . . . . . 5070 1 953 . 1 1 86 86 ILE CA C 13 58.8 0.2 . 1 . . . . . . . . 5070 1 954 . 1 1 86 86 ILE CB C 13 40.0 0.2 . 1 . . . . . . . . 5070 1 955 . 1 1 86 86 ILE CG2 C 13 16.7 0.2 . 1 . . . . . . . . 5070 1 956 . 1 1 86 86 ILE CD1 C 13 12.5 0.2 . 1 . . . . . . . . 5070 1 957 . 1 1 86 86 ILE N N 15 128.7 0.2 . 1 . . . . . . . . 5070 1 958 . 1 1 87 87 ARG H H 1 9.18 0.03 . 1 . . . . . . . . 5070 1 959 . 1 1 87 87 ARG HA H 1 5.31 0.03 . 1 . . . . . . . . 5070 1 960 . 1 1 87 87 ARG HB2 H 1 1.01 0.03 . 2 . . . . . . . . 5070 1 961 . 1 1 87 87 ARG HB3 H 1 1.61 0.03 . 2 . . . . . . . . 5070 1 962 . 1 1 87 87 ARG HG2 H 1 0.93 0.03 . 1 . . . . . . . . 5070 1 963 . 1 1 87 87 ARG HG3 H 1 0.93 0.03 . 1 . . . . . . . . 5070 1 964 . 1 1 87 87 ARG HD3 H 1 2.20 0.03 . 2 . . . . . . . . 5070 1 965 . 1 1 87 87 ARG C C 13 174.2 0.2 . 1 . . . . . . . . 5070 1 966 . 1 1 87 87 ARG CA C 13 53.0 0.2 . 1 . . . . . . . . 5070 1 967 . 1 1 87 87 ARG CB C 13 35.0 0.2 . 1 . . . . . . . . 5070 1 968 . 1 1 87 87 ARG CG C 13 25.8 0.2 . 1 . . . . . . . . 5070 1 969 . 1 1 87 87 ARG CD C 13 43.7 0.2 . 1 . . . . . . . . 5070 1 970 . 1 1 87 87 ARG N N 15 129.1 0.2 . 1 . . . . . . . . 5070 1 971 . 1 1 88 88 ARG H H 1 8.89 0.03 . 1 . . . . . . . . 5070 1 972 . 1 1 88 88 ARG HA H 1 5.43 0.03 . 1 . . . . . . . . 5070 1 973 . 1 1 88 88 ARG HB2 H 1 1.39 0.03 . 2 . . . . . . . . 5070 1 974 . 1 1 88 88 ARG HB3 H 1 1.86 0.03 . 2 . . . . . . . . 5070 1 975 . 1 1 88 88 ARG HG2 H 1 1.26 0.03 . 1 . . . . . . . . 5070 1 976 . 1 1 88 88 ARG HG3 H 1 1.26 0.03 . 1 . . . . . . . . 5070 1 977 . 1 1 88 88 ARG HD2 H 1 2.86 0.03 . 2 . . . . . . . . 5070 1 978 . 1 1 88 88 ARG HD3 H 1 3.12 0.03 . 2 . . . . . . . . 5070 1 979 . 1 1 88 88 ARG C C 13 176.8 0.2 . 1 . . . . . . . . 5070 1 980 . 1 1 88 88 ARG CA C 13 57.7 0.2 . 1 . . . . . . . . 5070 1 981 . 1 1 88 88 ARG CB C 13 32.1 0.2 . 1 . . . . . . . . 5070 1 982 . 1 1 88 88 ARG CG C 13 28.2 0.2 . 1 . . . . . . . . 5070 1 983 . 1 1 88 88 ARG CD C 13 43.4 0.2 . 1 . . . . . . . . 5070 1 984 . 1 1 88 88 ARG N N 15 127.0 0.2 . 1 . . . . . . . . 5070 1 985 . 1 1 89 89 GLY H H 1 10.14 0.03 . 1 . . . . . . . . 5070 1 986 . 1 1 89 89 GLY HA2 H 1 3.79 0.03 . 2 . . . . . . . . 5070 1 987 . 1 1 89 89 GLY HA3 H 1 4.10 0.03 . 2 . . . . . . . . 5070 1 988 . 1 1 89 89 GLY CA C 13 44.9 0.2 . 1 . . . . . . . . 5070 1 989 . 1 1 89 89 GLY N N 15 117.1 0.2 . 1 . . . . . . . . 5070 1 990 . 1 1 91 91 LYS HA H 1 4.47 0.03 . 1 . . . . . . . . 5070 1 991 . 1 1 91 91 LYS HB2 H 1 1.82 0.03 . 1 . . . . . . . . 5070 1 992 . 1 1 91 91 LYS HB3 H 1 1.82 0.03 . 1 . . . . . . . . 5070 1 993 . 1 1 91 91 LYS HG2 H 1 1.64 0.03 . 1 . . . . . . . . 5070 1 994 . 1 1 91 91 LYS HG3 H 1 1.64 0.03 . 1 . . . . . . . . 5070 1 995 . 1 1 91 91 LYS HD2 H 1 1.30 0.03 . 1 . . . . . . . . 5070 1 996 . 1 1 91 91 LYS HD3 H 1 1.30 0.03 . 1 . . . . . . . . 5070 1 997 . 1 1 91 91 LYS HE2 H 1 2.93 0.03 . 1 . . . . . . . . 5070 1 998 . 1 1 91 91 LYS HE3 H 1 2.93 0.03 . 1 . . . . . . . . 5070 1 999 . 1 1 91 91 LYS C C 13 175.4 0.2 . 1 . . . . . . . . 5070 1 1000 . 1 1 91 91 LYS CA C 13 56.2 0.2 . 1 . . . . . . . . 5070 1 1001 . 1 1 91 91 LYS CB C 13 35.2 0.2 . 1 . . . . . . . . 5070 1 1002 . 1 1 91 91 LYS CG C 13 24.4 0.2 . 1 . . . . . . . . 5070 1 1003 . 1 1 91 91 LYS CD C 13 28.9 0.2 . 1 . . . . . . . . 5070 1 1004 . 1 1 91 91 LYS CE C 13 41.8 0.2 . 1 . . . . . . . . 5070 1 1005 . 1 1 92 92 LYS H H 1 6.93 0.03 . 1 . . . . . . . . 5070 1 1006 . 1 1 92 92 LYS HA H 1 4.39 0.03 . 1 . . . . . . . . 5070 1 1007 . 1 1 92 92 LYS HB2 H 1 1.92 0.03 . 2 . . . . . . . . 5070 1 1008 . 1 1 92 92 LYS HB3 H 1 2.06 0.03 . 2 . . . . . . . . 5070 1 1009 . 1 1 92 92 LYS HG2 H 1 1.73 0.03 . 1 . . . . . . . . 5070 1 1010 . 1 1 92 92 LYS HG3 H 1 1.73 0.03 . 1 . . . . . . . . 5070 1 1011 . 1 1 92 92 LYS HD2 H 1 1.39 0.03 . 1 . . . . . . . . 5070 1 1012 . 1 1 92 92 LYS HD3 H 1 1.39 0.03 . 1 . . . . . . . . 5070 1 1013 . 1 1 92 92 LYS HE2 H 1 3.23 0.03 . 2 . . . . . . . . 5070 1 1014 . 1 1 92 92 LYS HE3 H 1 2.94 0.03 . 2 . . . . . . . . 5070 1 1015 . 1 1 92 92 LYS C C 13 173.3 0.2 . 1 . . . . . . . . 5070 1 1016 . 1 1 92 92 LYS CA C 13 56.1 0.2 . 1 . . . . . . . . 5070 1 1017 . 1 1 92 92 LYS CB C 13 32.1 0.2 . 1 . . . . . . . . 5070 1 1018 . 1 1 92 92 LYS CG C 13 24.5 0.2 . 1 . . . . . . . . 5070 1 1019 . 1 1 92 92 LYS CD C 13 28.8 0.2 . 1 . . . . . . . . 5070 1 1020 . 1 1 92 92 LYS CE C 13 42.4 0.2 . 1 . . . . . . . . 5070 1 1021 . 1 1 92 92 LYS N N 15 120.2 0.2 . 1 . . . . . . . . 5070 1 1022 . 1 1 93 93 TYR H H 1 7.79 0.03 . 1 . . . . . . . . 5070 1 1023 . 1 1 93 93 TYR HA H 1 5.09 0.03 . 1 . . . . . . . . 5070 1 1024 . 1 1 93 93 TYR HB2 H 1 2.71 0.03 . 1 . . . . . . . . 5070 1 1025 . 1 1 93 93 TYR HB3 H 1 2.71 0.03 . 1 . . . . . . . . 5070 1 1026 . 1 1 93 93 TYR HD1 H 1 6.99 0.03 . 1 . . . . . . . . 5070 1 1027 . 1 1 93 93 TYR HD2 H 1 6.99 0.03 . 1 . . . . . . . . 5070 1 1028 . 1 1 93 93 TYR HE1 H 1 6.73 0.03 . 1 . . . . . . . . 5070 1 1029 . 1 1 93 93 TYR HE2 H 1 6.73 0.03 . 1 . . . . . . . . 5070 1 1030 . 1 1 93 93 TYR C C 13 174.7 0.2 . 1 . . . . . . . . 5070 1 1031 . 1 1 93 93 TYR CA C 13 58.0 0.2 . 1 . . . . . . . . 5070 1 1032 . 1 1 93 93 TYR CB C 13 42.3 0.2 . 1 . . . . . . . . 5070 1 1033 . 1 1 93 93 TYR N N 15 123.0 0.2 . 1 . . . . . . . . 5070 1 1034 . 1 1 94 94 TYR H H 1 9.17 0.03 . 1 . . . . . . . . 5070 1 1035 . 1 1 94 94 TYR HA H 1 4.70 0.03 . 1 . . . . . . . . 5070 1 1036 . 1 1 94 94 TYR HB2 H 1 2.46 0.03 . 2 . . . . . . . . 5070 1 1037 . 1 1 94 94 TYR HB3 H 1 2.72 0.03 . 2 . . . . . . . . 5070 1 1038 . 1 1 94 94 TYR HD1 H 1 6.90 0.03 . 1 . . . . . . . . 5070 1 1039 . 1 1 94 94 TYR HD2 H 1 6.90 0.03 . 1 . . . . . . . . 5070 1 1040 . 1 1 94 94 TYR HE1 H 1 6.56 0.03 . 1 . . . . . . . . 5070 1 1041 . 1 1 94 94 TYR HE2 H 1 6.56 0.03 . 1 . . . . . . . . 5070 1 1042 . 1 1 94 94 TYR C C 13 173.7 0.2 . 1 . . . . . . . . 5070 1 1043 . 1 1 94 94 TYR CA C 13 56.8 0.2 . 1 . . . . . . . . 5070 1 1044 . 1 1 94 94 TYR CB C 13 42.2 0.2 . 1 . . . . . . . . 5070 1 1045 . 1 1 94 94 TYR N N 15 115.9 0.2 . 1 . . . . . . . . 5070 1 1046 . 1 1 95 95 LEU H H 1 8.62 0.03 . 1 . . . . . . . . 5070 1 1047 . 1 1 95 95 LEU HA H 1 4.91 0.03 . 1 . . . . . . . . 5070 1 1048 . 1 1 95 95 LEU HB2 H 1 0.89 0.03 . 2 . . . . . . . . 5070 1 1049 . 1 1 95 95 LEU HB3 H 1 1.84 0.03 . 2 . . . . . . . . 5070 1 1050 . 1 1 95 95 LEU HG H 1 1.26 0.03 . 1 . . . . . . . . 5070 1 1051 . 1 1 95 95 LEU HD11 H 1 0.55 0.03 . 1 . . . . . . . . 5070 1 1052 . 1 1 95 95 LEU HD12 H 1 0.55 0.03 . 1 . . . . . . . . 5070 1 1053 . 1 1 95 95 LEU HD13 H 1 0.55 0.03 . 1 . . . . . . . . 5070 1 1054 . 1 1 95 95 LEU HD21 H 1 0.55 0.03 . 1 . . . . . . . . 5070 1 1055 . 1 1 95 95 LEU HD22 H 1 0.55 0.03 . 1 . . . . . . . . 5070 1 1056 . 1 1 95 95 LEU HD23 H 1 0.55 0.03 . 1 . . . . . . . . 5070 1 1057 . 1 1 95 95 LEU C C 13 174.5 0.2 . 1 . . . . . . . . 5070 1 1058 . 1 1 95 95 LEU CA C 13 53.1 0.2 . 1 . . . . . . . . 5070 1 1059 . 1 1 95 95 LEU CB C 13 44.6 0.2 . 1 . . . . . . . . 5070 1 1060 . 1 1 95 95 LEU CG C 13 27.2 0.2 . 1 . . . . . . . . 5070 1 1061 . 1 1 95 95 LEU CD1 C 13 24.0 0.2 . 2 . . . . . . . . 5070 1 1062 . 1 1 95 95 LEU CD2 C 13 25.1 0.2 . 2 . . . . . . . . 5070 1 1063 . 1 1 95 95 LEU N N 15 123.2 0.2 . 1 . . . . . . . . 5070 1 1064 . 1 1 96 96 ILE H H 1 9.27 0.03 . 1 . . . . . . . . 5070 1 1065 . 1 1 96 96 ILE HA H 1 4.94 0.03 . 1 . . . . . . . . 5070 1 1066 . 1 1 96 96 ILE HB H 1 2.09 0.03 . 1 . . . . . . . . 5070 1 1067 . 1 1 96 96 ILE HG12 H 1 1.58 0.03 . 2 . . . . . . . . 5070 1 1068 . 1 1 96 96 ILE HG13 H 1 1.13 0.03 . 2 . . . . . . . . 5070 1 1069 . 1 1 96 96 ILE HG21 H 1 0.55 0.03 . 1 . . . . . . . . 5070 1 1070 . 1 1 96 96 ILE HG22 H 1 0.55 0.03 . 1 . . . . . . . . 5070 1 1071 . 1 1 96 96 ILE HG23 H 1 0.55 0.03 . 1 . . . . . . . . 5070 1 1072 . 1 1 96 96 ILE HD11 H 1 0.66 0.03 . 1 . . . . . . . . 5070 1 1073 . 1 1 96 96 ILE HD12 H 1 0.66 0.03 . 1 . . . . . . . . 5070 1 1074 . 1 1 96 96 ILE HD13 H 1 0.66 0.03 . 1 . . . . . . . . 5070 1 1075 . 1 1 96 96 ILE C C 13 175.5 0.2 . 1 . . . . . . . . 5070 1 1076 . 1 1 96 96 ILE CA C 13 57.7 0.2 . 1 . . . . . . . . 5070 1 1077 . 1 1 96 96 ILE CB C 13 36.1 0.2 . 1 . . . . . . . . 5070 1 1078 . 1 1 96 96 ILE CG1 C 13 26.9 0.2 . 1 . . . . . . . . 5070 1 1079 . 1 1 96 96 ILE CG2 C 13 17.0 0.2 . 1 . . . . . . . . 5070 1 1080 . 1 1 96 96 ILE CD1 C 13 9.6 0.2 . 1 . . . . . . . . 5070 1 1081 . 1 1 96 96 ILE N N 15 127.2 0.2 . 1 . . . . . . . . 5070 1 1082 . 1 1 97 97 ARG H H 1 8.83 0.03 . 1 . . . . . . . . 5070 1 1083 . 1 1 97 97 ARG HA H 1 4.92 0.03 . 1 . . . . . . . . 5070 1 1084 . 1 1 97 97 ARG HB2 H 1 1.55 0.03 . 2 . . . . . . . . 5070 1 1085 . 1 1 97 97 ARG HB3 H 1 1.88 0.03 . 2 . . . . . . . . 5070 1 1086 . 1 1 97 97 ARG HG2 H 1 1.44 0.03 . 1 . . . . . . . . 5070 1 1087 . 1 1 97 97 ARG HG3 H 1 1.44 0.03 . 1 . . . . . . . . 5070 1 1088 . 1 1 97 97 ARG HD2 H 1 3.11 0.03 . 1 . . . . . . . . 5070 1 1089 . 1 1 97 97 ARG HD3 H 1 3.11 0.03 . 1 . . . . . . . . 5070 1 1090 . 1 1 97 97 ARG C C 13 174.2 0.2 . 1 . . . . . . . . 5070 1 1091 . 1 1 97 97 ARG CA C 13 53.7 0.2 . 1 . . . . . . . . 5070 1 1092 . 1 1 97 97 ARG CB C 13 33.1 0.2 . 1 . . . . . . . . 5070 1 1093 . 1 1 97 97 ARG CG C 13 28.7 0.2 . 1 . . . . . . . . 5070 1 1094 . 1 1 97 97 ARG CD C 13 43.3 0.2 . 1 . . . . . . . . 5070 1 1095 . 1 1 97 97 ARG N N 15 125.4 0.2 . 1 . . . . . . . . 5070 1 1096 . 1 1 98 98 TYR H H 1 7.82 0.03 . 1 . . . . . . . . 5070 1 1097 . 1 1 98 98 TYR HA H 1 5.12 0.03 . 1 . . . . . . . . 5070 1 1098 . 1 1 98 98 TYR HB2 H 1 2.38 0.03 . 2 . . . . . . . . 5070 1 1099 . 1 1 98 98 TYR HB3 H 1 3.09 0.03 . 2 . . . . . . . . 5070 1 1100 . 1 1 98 98 TYR HD1 H 1 7.00 0.03 . 1 . . . . . . . . 5070 1 1101 . 1 1 98 98 TYR HD2 H 1 7.00 0.03 . 1 . . . . . . . . 5070 1 1102 . 1 1 98 98 TYR HE1 H 1 6.53 0.03 . 1 . . . . . . . . 5070 1 1103 . 1 1 98 98 TYR HE2 H 1 6.53 0.03 . 1 . . . . . . . . 5070 1 1104 . 1 1 98 98 TYR C C 13 175.6 0.2 . 1 . . . . . . . . 5070 1 1105 . 1 1 98 98 TYR CA C 13 57.1 0.2 . 1 . . . . . . . . 5070 1 1106 . 1 1 98 98 TYR CB C 13 40.0 0.2 . 1 . . . . . . . . 5070 1 1107 . 1 1 98 98 TYR N N 15 117.8 0.2 . 1 . . . . . . . . 5070 1 1108 . 1 1 99 99 ALA H H 1 7.94 0.03 . 1 . . . . . . . . 5070 1 1109 . 1 1 99 99 ALA HA H 1 4.25 0.03 . 1 . . . . . . . . 5070 1 1110 . 1 1 99 99 ALA HB1 H 1 1.22 0.03 . 1 . . . . . . . . 5070 1 1111 . 1 1 99 99 ALA HB2 H 1 1.22 0.03 . 1 . . . . . . . . 5070 1 1112 . 1 1 99 99 ALA HB3 H 1 1.22 0.03 . 1 . . . . . . . . 5070 1 1113 . 1 1 99 99 ALA C C 13 176.7 0.2 . 1 . . . . . . . . 5070 1 1114 . 1 1 99 99 ALA CA C 13 51.7 0.2 . 1 . . . . . . . . 5070 1 1115 . 1 1 99 99 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 5070 1 1116 . 1 1 99 99 ALA N N 15 124.9 0.2 . 1 . . . . . . . . 5070 1 1117 . 1 1 100 100 LEU H H 1 8.25 0.03 . 1 . . . . . . . . 5070 1 1118 . 1 1 100 100 LEU HA H 1 4.23 0.03 . 1 . . . . . . . . 5070 1 1119 . 1 1 100 100 LEU HB2 H 1 1.45 0.03 . 1 . . . . . . . . 5070 1 1120 . 1 1 100 100 LEU HB3 H 1 1.45 0.03 . 1 . . . . . . . . 5070 1 1121 . 1 1 100 100 LEU HG H 1 1.46 0.03 . 1 . . . . . . . . 5070 1 1122 . 1 1 100 100 LEU HD21 H 1 0.75 0.03 . 2 . . . . . . . . 5070 1 1123 . 1 1 100 100 LEU HD22 H 1 0.75 0.03 . 2 . . . . . . . . 5070 1 1124 . 1 1 100 100 LEU HD23 H 1 0.75 0.03 . 2 . . . . . . . . 5070 1 1125 . 1 1 100 100 LEU C C 13 176.9 0.2 . 1 . . . . . . . . 5070 1 1126 . 1 1 100 100 LEU CA C 13 54.6 0.2 . 1 . . . . . . . . 5070 1 1127 . 1 1 100 100 LEU CB C 13 42.2 0.2 . 1 . . . . . . . . 5070 1 1128 . 1 1 100 100 LEU CG C 13 26.8 0.2 . 1 . . . . . . . . 5070 1 1129 . 1 1 100 100 LEU CD1 C 13 23.5 0.2 . 2 . . . . . . . . 5070 1 1130 . 1 1 100 100 LEU CD2 C 13 24.6 0.2 . 2 . . . . . . . . 5070 1 1131 . 1 1 100 100 LEU N N 15 121.8 0.2 . 1 . . . . . . . . 5070 1 1132 . 1 1 101 101 GLU H H 1 8.31 0.03 . 1 . . . . . . . . 5070 1 1133 . 1 1 101 101 GLU N N 15 121.4 0.2 . 1 . . . . . . . . 5070 1 1134 . 1 1 102 102 HIS H H 1 7.94 0.03 . 1 . . . . . . . . 5070 1 1135 . 1 1 102 102 HIS N N 15 119.9 0.2 . 1 . . . . . . . . 5070 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 485 5070 1 1 484 5070 1 1 483 5070 1 stop_ save_