data_15921 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15921 _Entry.Title ; 1H, 13C and 15N assignment of a double transmembrane domain from human Y4 receptor, a G-protein coupled receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-08-14 _Entry.Accession_date 2008-08-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'the polypeptide was purified without any fusion tag and the assignment is almost complete.' _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 Chao Zou . . . 15921 2 Fred Naider . . . 15921 3 Oliver Zerbe . . . 15921 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Zurich' . 15921 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15921 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 315 15921 '15N chemical shifts' 108 15921 '1H chemical shifts' 108 15921 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-02-27 2008-08-14 update BMRB 'complete entry citation' 15921 1 . . 2008-08-19 2008-08-14 original author 'original release' 15921 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15921 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18937032 _Citation.Full_citation . _Citation.Title 'Biosynthesis and NMR-studies of a double transmembrane domain from the Y4 receptor, a human GPCR' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 42 _Citation.Journal_issue 4 _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 257 _Citation.Page_last 269 _Citation.Year 2008 _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 Chao Zou . . . 15921 1 2 Fred Naider . . . 15921 1 3 Oliver Zerbe . . . 15921 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15921 _Assembly.ID 1 _Assembly.Name 'a monomeric form in presence of detergent micelles' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13649.7 _Assembly.Enzyme_commission_number . _Assembly.Details ; this monomer contains N terminal domain, first transmembrane domain, first intracellular loop, second transmembrane domain and first extracellular loop. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 N-TM1-YM2 1 $N-TM1-TM2 A . yes native no no . . . 15921 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N-TM1-TM2 _Entity.Sf_category entity _Entity.Sf_framecode N-TM1-TM2 _Entity.Entry_ID 15921 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N-TM1-TM2 _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 ; MNTSHLLALLLPKSPQGENR SKPLGTPYNFSEHCQDSVDV MVFIVTSYSIETVVGVLGNL CLMCVTVRQKEKANVTNLLI ANLAFSDFLMCLLCQPLTAV YTIMDYWIFGETLCKHHHHH H ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18319 . Y4_TM1-TM2 . . . . . 100.00 121 100.00 100.00 1.87e-83 . . . . 15921 1 2 no DBJ BAG74162 . "pancreatic polypeptide receptor 1 [synthetic construct]" . . . . . 95.04 375 100.00 100.00 8.58e-75 . . . . 15921 1 3 no EMBL CAA91433 . "pancreatic polypeptide receptor PP1 [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 8.58e-75 . . . . 15921 1 4 no EMBL CAG46748 . "PPYR1 [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 9.36e-75 . . . . 15921 1 5 no EMBL CAI13318 . "pancreatic polypeptide receptor 1 [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 8.58e-75 . . . . 15921 1 6 no GB AAB07759 . "pancreatic polypeptide receptor [Homo sapiens]" . . . . . 95.04 375 99.13 100.00 2.52e-74 . . . . 15921 1 7 no GB AAC50280 . "neuropeptide Y4 receptor protein [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 8.58e-75 . . . . 15921 1 8 no GB AAH96238 . "Pancreatic polypeptide receptor 1 [Homo sapiens]" . . . . . 95.04 375 99.13 100.00 2.52e-74 . . . . 15921 1 9 no GB AAH99637 . "Pancreatic polypeptide receptor 1 [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 7.62e-75 . . . . 15921 1 10 no GB AAP23199 . "pancreatic polypeptide receptor 1 [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 8.58e-75 . . . . 15921 1 11 no REF NP_001265723 . "neuropeptide Y receptor type 4 [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 9.36e-75 . . . . 15921 1 12 no REF NP_001265724 . "neuropeptide Y receptor type 4-like [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 8.58e-75 . . . . 15921 1 13 no REF NP_005963 . "neuropeptide Y receptor type 4 [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 9.36e-75 . . . . 15921 1 14 no REF XP_003804406 . "PREDICTED: neuropeptide Y receptor type 4 [Pan paniscus]" . . . . . 95.04 375 99.13 100.00 2.52e-74 . . . . 15921 1 15 no REF XP_003804407 . "PREDICTED: neuropeptide Y receptor type 4 [Pan paniscus]" . . . . . 95.04 375 99.13 100.00 2.52e-74 . . . . 15921 1 16 no SP P50391 . "RecName: Full=Neuropeptide Y receptor type 4; Short=NPY4-R; AltName: Full=Pancreatic polypeptide receptor 1; Short=PP1" . . . . . 95.04 375 100.00 100.00 8.58e-75 . . . . 15921 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15921 1 2 . ASN . 15921 1 3 . THR . 15921 1 4 . SER . 15921 1 5 . HIS . 15921 1 6 . LEU . 15921 1 7 . LEU . 15921 1 8 . ALA . 15921 1 9 . LEU . 15921 1 10 . LEU . 15921 1 11 . LEU . 15921 1 12 . PRO . 15921 1 13 . LYS . 15921 1 14 . SER . 15921 1 15 . PRO . 15921 1 16 . GLN . 15921 1 17 . GLY . 15921 1 18 . GLU . 15921 1 19 . ASN . 15921 1 20 . ARG . 15921 1 21 . SER . 15921 1 22 . LYS . 15921 1 23 . PRO . 15921 1 24 . LEU . 15921 1 25 . GLY . 15921 1 26 . THR . 15921 1 27 . PRO . 15921 1 28 . TYR . 15921 1 29 . ASN . 15921 1 30 . PHE . 15921 1 31 . SER . 15921 1 32 . GLU . 15921 1 33 . HIS . 15921 1 34 . CYS . 15921 1 35 . GLN . 15921 1 36 . ASP . 15921 1 37 . SER . 15921 1 38 . VAL . 15921 1 39 . ASP . 15921 1 40 . VAL . 15921 1 41 . MET . 15921 1 42 . VAL . 15921 1 43 . PHE . 15921 1 44 . ILE . 15921 1 45 . VAL . 15921 1 46 . THR . 15921 1 47 . SER . 15921 1 48 . TYR . 15921 1 49 . SER . 15921 1 50 . ILE . 15921 1 51 . GLU . 15921 1 52 . THR . 15921 1 53 . VAL . 15921 1 54 . VAL . 15921 1 55 . GLY . 15921 1 56 . VAL . 15921 1 57 . LEU . 15921 1 58 . GLY . 15921 1 59 . ASN . 15921 1 60 . LEU . 15921 1 61 . CYS . 15921 1 62 . LEU . 15921 1 63 . MET . 15921 1 64 . CYS . 15921 1 65 . VAL . 15921 1 66 . THR . 15921 1 67 . VAL . 15921 1 68 . ARG . 15921 1 69 . GLN . 15921 1 70 . LYS . 15921 1 71 . GLU . 15921 1 72 . LYS . 15921 1 73 . ALA . 15921 1 74 . ASN . 15921 1 75 . VAL . 15921 1 76 . THR . 15921 1 77 . ASN . 15921 1 78 . LEU . 15921 1 79 . LEU . 15921 1 80 . ILE . 15921 1 81 . ALA . 15921 1 82 . ASN . 15921 1 83 . LEU . 15921 1 84 . ALA . 15921 1 85 . PHE . 15921 1 86 . SER . 15921 1 87 . ASP . 15921 1 88 . PHE . 15921 1 89 . LEU . 15921 1 90 . MET . 15921 1 91 . CYS . 15921 1 92 . LEU . 15921 1 93 . LEU . 15921 1 94 . CYS . 15921 1 95 . GLN . 15921 1 96 . PRO . 15921 1 97 . LEU . 15921 1 98 . THR . 15921 1 99 . ALA . 15921 1 100 . VAL . 15921 1 101 . TYR . 15921 1 102 . THR . 15921 1 103 . ILE . 15921 1 104 . MET . 15921 1 105 . ASP . 15921 1 106 . TYR . 15921 1 107 . TRP . 15921 1 108 . ILE . 15921 1 109 . PHE . 15921 1 110 . GLY . 15921 1 111 . GLU . 15921 1 112 . THR . 15921 1 113 . LEU . 15921 1 114 . CYS . 15921 1 115 . LYS . 15921 1 116 . HIS . 15921 1 117 . HIS . 15921 1 118 . HIS . 15921 1 119 . HIS . 15921 1 120 . HIS . 15921 1 121 . HIS . 15921 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15921 1 . ASN 2 2 15921 1 . THR 3 3 15921 1 . SER 4 4 15921 1 . HIS 5 5 15921 1 . LEU 6 6 15921 1 . LEU 7 7 15921 1 . ALA 8 8 15921 1 . LEU 9 9 15921 1 . LEU 10 10 15921 1 . LEU 11 11 15921 1 . PRO 12 12 15921 1 . LYS 13 13 15921 1 . SER 14 14 15921 1 . PRO 15 15 15921 1 . GLN 16 16 15921 1 . GLY 17 17 15921 1 . GLU 18 18 15921 1 . ASN 19 19 15921 1 . ARG 20 20 15921 1 . SER 21 21 15921 1 . LYS 22 22 15921 1 . PRO 23 23 15921 1 . LEU 24 24 15921 1 . GLY 25 25 15921 1 . THR 26 26 15921 1 . PRO 27 27 15921 1 . TYR 28 28 15921 1 . ASN 29 29 15921 1 . PHE 30 30 15921 1 . SER 31 31 15921 1 . GLU 32 32 15921 1 . HIS 33 33 15921 1 . CYS 34 34 15921 1 . GLN 35 35 15921 1 . ASP 36 36 15921 1 . SER 37 37 15921 1 . VAL 38 38 15921 1 . ASP 39 39 15921 1 . VAL 40 40 15921 1 . MET 41 41 15921 1 . VAL 42 42 15921 1 . PHE 43 43 15921 1 . ILE 44 44 15921 1 . VAL 45 45 15921 1 . THR 46 46 15921 1 . SER 47 47 15921 1 . TYR 48 48 15921 1 . SER 49 49 15921 1 . ILE 50 50 15921 1 . GLU 51 51 15921 1 . THR 52 52 15921 1 . VAL 53 53 15921 1 . VAL 54 54 15921 1 . GLY 55 55 15921 1 . VAL 56 56 15921 1 . LEU 57 57 15921 1 . GLY 58 58 15921 1 . ASN 59 59 15921 1 . LEU 60 60 15921 1 . CYS 61 61 15921 1 . LEU 62 62 15921 1 . MET 63 63 15921 1 . CYS 64 64 15921 1 . VAL 65 65 15921 1 . THR 66 66 15921 1 . VAL 67 67 15921 1 . ARG 68 68 15921 1 . GLN 69 69 15921 1 . LYS 70 70 15921 1 . GLU 71 71 15921 1 . LYS 72 72 15921 1 . ALA 73 73 15921 1 . ASN 74 74 15921 1 . VAL 75 75 15921 1 . THR 76 76 15921 1 . ASN 77 77 15921 1 . LEU 78 78 15921 1 . LEU 79 79 15921 1 . ILE 80 80 15921 1 . ALA 81 81 15921 1 . ASN 82 82 15921 1 . LEU 83 83 15921 1 . ALA 84 84 15921 1 . PHE 85 85 15921 1 . SER 86 86 15921 1 . ASP 87 87 15921 1 . PHE 88 88 15921 1 . LEU 89 89 15921 1 . MET 90 90 15921 1 . CYS 91 91 15921 1 . LEU 92 92 15921 1 . LEU 93 93 15921 1 . CYS 94 94 15921 1 . GLN 95 95 15921 1 . PRO 96 96 15921 1 . LEU 97 97 15921 1 . THR 98 98 15921 1 . ALA 99 99 15921 1 . VAL 100 100 15921 1 . TYR 101 101 15921 1 . THR 102 102 15921 1 . ILE 103 103 15921 1 . MET 104 104 15921 1 . ASP 105 105 15921 1 . TYR 106 106 15921 1 . TRP 107 107 15921 1 . ILE 108 108 15921 1 . PHE 109 109 15921 1 . GLY 110 110 15921 1 . GLU 111 111 15921 1 . THR 112 112 15921 1 . LEU 113 113 15921 1 . CYS 114 114 15921 1 . LYS 115 115 15921 1 . HIS 116 116 15921 1 . HIS 117 117 15921 1 . HIS 118 118 15921 1 . HIS 119 119 15921 1 . HIS 120 120 15921 1 . HIS 121 121 15921 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 15921 _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 $N-TM1-TM2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15921 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 15921 _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 $N-TM1-TM2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-AI 'BL21 (DE3)' . . . . . . . . . . . . . . pLC01 . . . . . . 15921 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15921 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 N-TM1-TM2 '[U-100% 13C; U-100% 15N; 80% 2H]' . . 1 $N-TM1-TM2 . . 0.5 . . mM . . . . 15921 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15921 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 15921 1 pH 6.0 . pH 15921 1 pressure 1 . atm 15921 1 temperature 320 . K 15921 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15921 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 15921 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15921 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15921 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller' . . 15921 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15921 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15921 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15921 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 15921 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 15921 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15921 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15921 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15921 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15921 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15921 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15921 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15921 1 8 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15921 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15921 _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 C 13 water protons . . . . ppm 4.53 internal indirect 0.1 . . . . . . . . . 15921 1 H 1 water protons . . . . ppm 4.53 internal direct 1.0 . . . . . . . . . 15921 1 N 15 water protons . . . . ppm 4.53 internal indirect 0.25 . . . . . . . . . 15921 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15921 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D CBCA(CO)NH' . . . 15921 1 3 '3D HNCACB' . . . 15921 1 4 '3D HNCO' . . . 15921 1 5 '3D HN(CO)CA' . . . 15921 1 7 '3D 1H-15N NOESY' . . . 15921 1 8 '3D HCACO' . . . 15921 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 THR H H 1 8.502 0.020 . 1 . . . . 3 THR H . 15921 1 2 . 1 1 3 3 THR C C 13 175.956 0.400 . 1 . . . . 3 THR C . 15921 1 3 . 1 1 3 3 THR CA C 13 64.639 0.400 . 1 . . . . 3 THR CA . 15921 1 4 . 1 1 3 3 THR CB C 13 68.049 0.400 . 1 . . . . 3 THR CB . 15921 1 5 . 1 1 3 3 THR N N 15 116.704 0.400 . 1 . . . . 3 THR N . 15921 1 6 . 1 1 4 4 SER H H 1 8.297 0.020 . 1 . . . . 4 SER H . 15921 1 7 . 1 1 4 4 SER CA C 13 61.182 0.400 . 1 . . . . 4 SER CA . 15921 1 8 . 1 1 4 4 SER CB C 13 62.110 0.400 . 1 . . . . 4 SER CB . 15921 1 9 . 1 1 4 4 SER N N 15 117.174 0.400 . 1 . . . . 4 SER N . 15921 1 10 . 1 1 6 6 LEU H H 1 7.541 0.020 . 1 . . . . 6 LEU H . 15921 1 11 . 1 1 6 6 LEU C C 13 178.007 0.400 . 1 . . . . 6 LEU C . 15921 1 12 . 1 1 6 6 LEU CA C 13 57.169 0.400 . 1 . . . . 6 LEU CA . 15921 1 13 . 1 1 6 6 LEU CB C 13 40.818 0.400 . 1 . . . . 6 LEU CB . 15921 1 14 . 1 1 6 6 LEU N N 15 118.651 0.400 . 1 . . . . 6 LEU N . 15921 1 15 . 1 1 7 7 LEU H H 1 7.824 0.020 . 1 . . . . 7 LEU H . 15921 1 16 . 1 1 7 7 LEU C C 13 178.092 0.400 . 1 . . . . 7 LEU C . 15921 1 17 . 1 1 7 7 LEU CA C 13 57.203 0.400 . 1 . . . . 7 LEU CA . 15921 1 18 . 1 1 7 7 LEU CB C 13 40.259 0.400 . 1 . . . . 7 LEU CB . 15921 1 19 . 1 1 7 7 LEU N N 15 116.372 0.400 . 1 . . . . 7 LEU N . 15921 1 20 . 1 1 8 8 ALA H H 1 7.431 0.020 . 1 . . . . 8 ALA H . 15921 1 21 . 1 1 8 8 ALA C C 13 179.231 0.400 . 1 . . . . 8 ALA C . 15921 1 22 . 1 1 8 8 ALA CA C 13 53.659 0.400 . 1 . . . . 8 ALA CA . 15921 1 23 . 1 1 8 8 ALA CB C 13 17.352 0.400 . 1 . . . . 8 ALA CB . 15921 1 24 . 1 1 8 8 ALA N N 15 118.379 0.400 . 1 . . . . 8 ALA N . 15921 1 25 . 1 1 9 9 LEU H H 1 7.319 0.020 . 1 . . . . 9 LEU H . 15921 1 26 . 1 1 9 9 LEU C C 13 177.463 0.400 . 1 . . . . 9 LEU C . 15921 1 27 . 1 1 9 9 LEU CA C 13 56.134 0.400 . 1 . . . . 9 LEU CA . 15921 1 28 . 1 1 9 9 LEU CB C 13 41.323 0.400 . 1 . . . . 9 LEU CB . 15921 1 29 . 1 1 9 9 LEU N N 15 116.245 0.400 . 1 . . . . 9 LEU N . 15921 1 30 . 1 1 10 10 LEU H H 1 7.352 0.020 . 1 . . . . 10 LEU H . 15921 1 31 . 1 1 10 10 LEU C C 13 175.882 0.400 . 1 . . . . 10 LEU C . 15921 1 32 . 1 1 10 10 LEU CA C 13 55.042 0.400 . 1 . . . . 10 LEU CA . 15921 1 33 . 1 1 10 10 LEU CB C 13 42.384 0.400 . 1 . . . . 10 LEU CB . 15921 1 34 . 1 1 10 10 LEU N N 15 115.795 0.400 . 1 . . . . 10 LEU N . 15921 1 35 . 1 1 11 11 LEU H H 1 7.336 0.020 . 1 . . . . 11 LEU H . 15921 1 36 . 1 1 11 11 LEU C C 13 174.681 0.400 . 1 . . . . 11 LEU C . 15921 1 37 . 1 1 11 11 LEU CA C 13 52.441 0.400 . 1 . . . . 11 LEU CA . 15921 1 38 . 1 1 11 11 LEU CB C 13 40.460 0.400 . 1 . . . . 11 LEU CB . 15921 1 39 . 1 1 11 11 LEU N N 15 116.954 0.400 . 1 . . . . 11 LEU N . 15921 1 40 . 1 1 13 13 LYS H H 1 8.211 0.020 . 1 . . . . 13 LYS H . 15921 1 41 . 1 1 13 13 LYS C C 13 176.350 0.400 . 1 . . . . 13 LYS C . 15921 1 42 . 1 1 13 13 LYS CA C 13 55.169 0.400 . 1 . . . . 13 LYS CA . 15921 1 43 . 1 1 13 13 LYS CB C 13 32.156 0.400 . 1 . . . . 13 LYS CB . 15921 1 44 . 1 1 13 13 LYS N N 15 120.489 0.400 . 1 . . . . 13 LYS N . 15921 1 45 . 1 1 14 14 SER H H 1 8.163 0.020 . 1 . . . . 14 SER H . 15921 1 46 . 1 1 14 14 SER C C 13 173.046 0.400 . 1 . . . . 14 SER C . 15921 1 47 . 1 1 14 14 SER CA C 13 55.913 0.400 . 1 . . . . 14 SER CA . 15921 1 48 . 1 1 14 14 SER CB C 13 63.147 0.400 . 1 . . . . 14 SER CB . 15921 1 49 . 1 1 14 14 SER N N 15 117.305 0.400 . 1 . . . . 14 SER N . 15921 1 50 . 1 1 16 16 GLN H H 1 8.235 0.020 . 1 . . . . 16 GLN H . 15921 1 51 . 1 1 16 16 GLN C C 13 176.399 0.400 . 1 . . . . 16 GLN C . 15921 1 52 . 1 1 16 16 GLN CA C 13 55.489 0.400 . 1 . . . . 16 GLN CA . 15921 1 53 . 1 1 16 16 GLN CB C 13 28.446 0.400 . 1 . . . . 16 GLN CB . 15921 1 54 . 1 1 16 16 GLN N N 15 119.338 0.400 . 1 . . . . 16 GLN N . 15921 1 55 . 1 1 17 17 GLY H H 1 8.140 0.020 . 1 . . . . 17 GLY H . 15921 1 56 . 1 1 17 17 GLY C C 13 174.064 0.400 . 1 . . . . 17 GLY C . 15921 1 57 . 1 1 17 17 GLY CA C 13 44.860 0.400 . 1 . . . . 17 GLY CA . 15921 1 58 . 1 1 17 17 GLY N N 15 109.486 0.400 . 1 . . . . 17 GLY N . 15921 1 59 . 1 1 18 18 GLU H H 1 8.118 0.020 . 1 . . . . 18 GLU H . 15921 1 60 . 1 1 18 18 GLU C C 13 176.105 0.400 . 1 . . . . 18 GLU C . 15921 1 61 . 1 1 18 18 GLU CA C 13 56.033 0.400 . 1 . . . . 18 GLU CA . 15921 1 62 . 1 1 18 18 GLU CB C 13 29.231 0.400 . 1 . . . . 18 GLU CB . 15921 1 63 . 1 1 18 18 GLU N N 15 120.260 0.400 . 1 . . . . 18 GLU N . 15921 1 64 . 1 1 19 19 ASN H H 1 8.292 0.020 . 1 . . . . 19 ASN H . 15921 1 65 . 1 1 19 19 ASN C C 13 174.891 0.400 . 1 . . . . 19 ASN C . 15921 1 66 . 1 1 19 19 ASN CA C 13 52.891 0.400 . 1 . . . . 19 ASN CA . 15921 1 67 . 1 1 19 19 ASN CB C 13 38.159 0.400 . 1 . . . . 19 ASN CB . 15921 1 68 . 1 1 19 19 ASN N N 15 118.881 0.400 . 1 . . . . 19 ASN N . 15921 1 69 . 1 1 20 20 ARG H H 1 8.087 0.020 . 1 . . . . 20 ARG H . 15921 1 70 . 1 1 20 20 ARG C C 13 175.979 0.400 . 1 . . . . 20 ARG C . 15921 1 71 . 1 1 20 20 ARG CA C 13 55.578 0.400 . 1 . . . . 20 ARG CA . 15921 1 72 . 1 1 20 20 ARG CB C 13 29.724 0.400 . 1 . . . . 20 ARG CB . 15921 1 73 . 1 1 20 20 ARG N N 15 121.063 0.400 . 1 . . . . 20 ARG N . 15921 1 74 . 1 1 21 21 SER H H 1 8.158 0.020 . 1 . . . . 21 SER H . 15921 1 75 . 1 1 21 21 SER C C 13 173.757 0.400 . 1 . . . . 21 SER C . 15921 1 76 . 1 1 21 21 SER CA C 13 57.852 0.400 . 1 . . . . 21 SER CA . 15921 1 77 . 1 1 21 21 SER CB C 13 63.693 0.400 . 1 . . . . 21 SER CB . 15921 1 78 . 1 1 21 21 SER N N 15 116.689 0.400 . 1 . . . . 21 SER N . 15921 1 79 . 1 1 22 22 LYS H H 1 7.993 0.020 . 1 . . . . 22 LYS H . 15921 1 80 . 1 1 22 22 LYS C C 13 174.260 0.400 . 1 . . . . 22 LYS C . 15921 1 81 . 1 1 22 22 LYS CA C 13 53.762 0.400 . 1 . . . . 22 LYS CA . 15921 1 82 . 1 1 22 22 LYS CB C 13 31.710 0.400 . 1 . . . . 22 LYS CB . 15921 1 83 . 1 1 22 22 LYS N N 15 123.056 0.400 . 1 . . . . 22 LYS N . 15921 1 84 . 1 1 24 24 LEU H H 1 8.099 0.020 . 1 . . . . 24 LEU H . 15921 1 85 . 1 1 24 24 LEU C C 13 177.019 0.400 . 1 . . . . 24 LEU C . 15921 1 86 . 1 1 24 24 LEU CA C 13 54.763 0.400 . 1 . . . . 24 LEU CA . 15921 1 87 . 1 1 24 24 LEU CB C 13 41.430 0.400 . 1 . . . . 24 LEU CB . 15921 1 88 . 1 1 24 24 LEU N N 15 120.823 0.400 . 1 . . . . 24 LEU N . 15921 1 89 . 1 1 25 25 GLY H H 1 8.042 0.020 . 1 . . . . 25 GLY H . 15921 1 90 . 1 1 25 25 GLY C C 13 173.293 0.400 . 1 . . . . 25 GLY C . 15921 1 91 . 1 1 25 25 GLY CA C 13 44.654 0.400 . 1 . . . . 25 GLY CA . 15921 1 92 . 1 1 25 25 GLY N N 15 108.218 0.400 . 1 . . . . 25 GLY N . 15921 1 93 . 1 1 26 26 THR H H 1 7.822 0.020 . 1 . . . . 26 THR H . 15921 1 94 . 1 1 26 26 THR C C 13 173.156 0.400 . 1 . . . . 26 THR C . 15921 1 95 . 1 1 26 26 THR CA C 13 59.277 0.400 . 1 . . . . 26 THR CA . 15921 1 96 . 1 1 26 26 THR CB C 13 68.975 0.400 . 1 . . . . 26 THR CB . 15921 1 97 . 1 1 26 26 THR N N 15 114.310 0.400 . 1 . . . . 26 THR N . 15921 1 98 . 1 1 28 28 TYR H H 1 7.730 0.020 . 1 . . . . 28 TYR H . 15921 1 99 . 1 1 28 28 TYR C C 13 174.899 0.400 . 1 . . . . 28 TYR C . 15921 1 100 . 1 1 28 28 TYR CA C 13 57.613 0.400 . 1 . . . . 28 TYR CA . 15921 1 101 . 1 1 28 28 TYR CB C 13 38.160 0.400 . 1 . . . . 28 TYR CB . 15921 1 102 . 1 1 28 28 TYR N N 15 118.795 0.400 . 1 . . . . 28 TYR N . 15921 1 103 . 1 1 29 29 ASN H H 1 8.086 0.020 . 1 . . . . 29 ASN H . 15921 1 104 . 1 1 29 29 ASN C C 13 175.384 0.400 . 1 . . . . 29 ASN C . 15921 1 105 . 1 1 29 29 ASN CA C 13 52.539 0.400 . 1 . . . . 29 ASN CA . 15921 1 106 . 1 1 29 29 ASN CB C 13 37.743 0.400 . 1 . . . . 29 ASN CB . 15921 1 107 . 1 1 29 29 ASN N N 15 119.892 0.400 . 1 . . . . 29 ASN N . 15921 1 108 . 1 1 30 30 PHE H H 1 8.113 0.020 . 1 . . . . 30 PHE H . 15921 1 109 . 1 1 30 30 PHE C C 13 176.702 0.400 . 1 . . . . 30 PHE C . 15921 1 110 . 1 1 30 30 PHE CA C 13 59.609 0.400 . 1 . . . . 30 PHE CA . 15921 1 111 . 1 1 30 30 PHE CB C 13 38.722 0.400 . 1 . . . . 30 PHE CB . 15921 1 112 . 1 1 30 30 PHE N N 15 121.307 0.400 . 1 . . . . 30 PHE N . 15921 1 113 . 1 1 31 31 SER H H 1 8.225 0.020 . 1 . . . . 31 SER H . 15921 1 114 . 1 1 31 31 SER C C 13 175.609 0.400 . 1 . . . . 31 SER C . 15921 1 115 . 1 1 31 31 SER CA C 13 60.226 0.400 . 1 . . . . 31 SER CA . 15921 1 116 . 1 1 31 31 SER CB C 13 62.833 0.400 . 1 . . . . 31 SER CB . 15921 1 117 . 1 1 31 31 SER N N 15 114.721 0.400 . 1 . . . . 31 SER N . 15921 1 118 . 1 1 32 32 GLU H H 1 7.850 0.020 . 1 . . . . 32 GLU H . 15921 1 119 . 1 1 32 32 GLU C C 13 177.125 0.400 . 1 . . . . 32 GLU C . 15921 1 120 . 1 1 32 32 GLU CA C 13 57.440 0.400 . 1 . . . . 32 GLU CA . 15921 1 121 . 1 1 32 32 GLU CB C 13 28.538 0.400 . 1 . . . . 32 GLU CB . 15921 1 122 . 1 1 32 32 GLU N N 15 120.867 0.400 . 1 . . . . 32 GLU N . 15921 1 123 . 1 1 33 33 HIS H H 1 7.831 0.020 . 1 . . . . 33 HIS H . 15921 1 124 . 1 1 33 33 HIS C C 13 175.614 0.400 . 1 . . . . 33 HIS C . 15921 1 125 . 1 1 33 33 HIS CA C 13 55.926 0.400 . 1 . . . . 33 HIS CA . 15921 1 126 . 1 1 33 33 HIS CB C 13 28.369 0.400 . 1 . . . . 33 HIS CB . 15921 1 127 . 1 1 33 33 HIS N N 15 115.255 0.400 . 1 . . . . 33 HIS N . 15921 1 128 . 1 1 34 34 CYS H H 1 7.956 0.020 . 1 . . . . 34 CYS H . 15921 1 129 . 1 1 34 34 CYS C C 13 175.257 0.400 . 1 . . . . 34 CYS C . 15921 1 130 . 1 1 34 34 CYS CA C 13 60.705 0.400 . 1 . . . . 34 CYS CA . 15921 1 131 . 1 1 34 34 CYS CB C 13 27.006 0.400 . 1 . . . . 34 CYS CB . 15921 1 132 . 1 1 34 34 CYS N N 15 118.697 0.400 . 1 . . . . 34 CYS N . 15921 1 133 . 1 1 35 35 GLN H H 1 8.248 0.020 . 1 . . . . 35 GLN H . 15921 1 134 . 1 1 35 35 GLN C C 13 176.773 0.400 . 1 . . . . 35 GLN C . 15921 1 135 . 1 1 35 35 GLN CA C 13 57.827 0.400 . 1 . . . . 35 GLN CA . 15921 1 136 . 1 1 35 35 GLN CB C 13 27.720 0.400 . 1 . . . . 35 GLN CB . 15921 1 137 . 1 1 35 35 GLN N N 15 120.432 0.400 . 1 . . . . 35 GLN N . 15921 1 138 . 1 1 36 36 ASP H H 1 8.113 0.020 . 1 . . . . 36 ASP H . 15921 1 139 . 1 1 36 36 ASP C C 13 177.393 0.400 . 1 . . . . 36 ASP C . 15921 1 140 . 1 1 36 36 ASP CA C 13 55.651 0.400 . 1 . . . . 36 ASP CA . 15921 1 141 . 1 1 36 36 ASP CB C 13 39.767 0.400 . 1 . . . . 36 ASP CB . 15921 1 142 . 1 1 36 36 ASP N N 15 118.158 0.400 . 1 . . . . 36 ASP N . 15921 1 143 . 1 1 37 37 SER H H 1 7.797 0.020 . 1 . . . . 37 SER H . 15921 1 144 . 1 1 37 37 SER C C 13 175.333 0.400 . 1 . . . . 37 SER C . 15921 1 145 . 1 1 37 37 SER CA C 13 61.304 0.400 . 1 . . . . 37 SER CA . 15921 1 146 . 1 1 37 37 SER CB C 13 63.068 0.400 . 1 . . . . 37 SER CB . 15921 1 147 . 1 1 37 37 SER N N 15 114.924 0.400 . 1 . . . . 37 SER N . 15921 1 148 . 1 1 38 38 VAL H H 1 7.798 0.020 . 1 . . . . 38 VAL H . 15921 1 149 . 1 1 38 38 VAL C C 13 176.829 0.400 . 1 . . . . 38 VAL C . 15921 1 150 . 1 1 38 38 VAL CA C 13 65.628 0.400 . 1 . . . . 38 VAL CA . 15921 1 151 . 1 1 38 38 VAL CB C 13 30.682 0.400 . 1 . . . . 38 VAL CB . 15921 1 152 . 1 1 38 38 VAL N N 15 121.908 0.400 . 1 . . . . 38 VAL N . 15921 1 153 . 1 1 39 39 ASP H H 1 8.080 0.020 . 1 . . . . 39 ASP H . 15921 1 154 . 1 1 39 39 ASP C C 13 178.940 0.400 . 1 . . . . 39 ASP C . 15921 1 155 . 1 1 39 39 ASP CA C 13 56.611 0.400 . 1 . . . . 39 ASP CA . 15921 1 156 . 1 1 39 39 ASP CB C 13 39.228 0.400 . 1 . . . . 39 ASP CB . 15921 1 157 . 1 1 39 39 ASP N N 15 119.262 0.400 . 1 . . . . 39 ASP N . 15921 1 158 . 1 1 40 40 VAL H H 1 7.717 0.020 . 1 . . . . 40 VAL H . 15921 1 159 . 1 1 40 40 VAL C C 13 177.133 0.400 . 1 . . . . 40 VAL C . 15921 1 160 . 1 1 40 40 VAL CA C 13 65.610 0.400 . 1 . . . . 40 VAL CA . 15921 1 161 . 1 1 40 40 VAL CB C 13 30.696 0.400 . 1 . . . . 40 VAL CB . 15921 1 162 . 1 1 40 40 VAL N N 15 119.968 0.400 . 1 . . . . 40 VAL N . 15921 1 163 . 1 1 41 41 MET H H 1 7.834 0.020 . 1 . . . . 41 MET H . 15921 1 164 . 1 1 41 41 MET C C 13 177.828 0.400 . 1 . . . . 41 MET C . 15921 1 165 . 1 1 41 41 MET CA C 13 58.492 0.400 . 1 . . . . 41 MET CA . 15921 1 166 . 1 1 41 41 MET CB C 13 31.117 0.400 . 1 . . . . 41 MET CB . 15921 1 167 . 1 1 41 41 MET N N 15 118.844 0.400 . 1 . . . . 41 MET N . 15921 1 168 . 1 1 42 42 VAL H H 1 8.409 0.020 . 1 . . . . 42 VAL H . 15921 1 169 . 1 1 42 42 VAL C C 13 178.527 0.400 . 1 . . . . 42 VAL C . 15921 1 170 . 1 1 42 42 VAL CA C 13 66.193 0.400 . 1 . . . . 42 VAL CA . 15921 1 171 . 1 1 42 42 VAL CB C 13 30.847 0.400 . 1 . . . . 42 VAL CB . 15921 1 172 . 1 1 42 42 VAL N N 15 118.005 0.400 . 1 . . . . 42 VAL N . 15921 1 173 . 1 1 43 43 PHE H H 1 7.972 0.020 . 1 . . . . 43 PHE H . 15921 1 174 . 1 1 43 43 PHE C C 13 177.557 0.400 . 1 . . . . 43 PHE C . 15921 1 175 . 1 1 43 43 PHE CA C 13 60.701 0.400 . 1 . . . . 43 PHE CA . 15921 1 176 . 1 1 43 43 PHE CB C 13 37.947 0.400 . 1 . . . . 43 PHE CB . 15921 1 177 . 1 1 43 43 PHE N N 15 121.986 0.400 . 1 . . . . 43 PHE N . 15921 1 178 . 1 1 44 44 ILE H H 1 8.253 0.020 . 1 . . . . 44 ILE H . 15921 1 179 . 1 1 44 44 ILE C C 13 177.638 0.400 . 1 . . . . 44 ILE C . 15921 1 180 . 1 1 44 44 ILE CA C 13 64.547 0.400 . 1 . . . . 44 ILE CA . 15921 1 181 . 1 1 44 44 ILE CB C 13 36.878 0.400 . 1 . . . . 44 ILE CB . 15921 1 182 . 1 1 44 44 ILE N N 15 119.943 0.400 . 1 . . . . 44 ILE N . 15921 1 183 . 1 1 45 45 VAL H H 1 8.100 0.020 . 1 . . . . 45 VAL H . 15921 1 184 . 1 1 45 45 VAL C C 13 176.856 0.400 . 1 . . . . 45 VAL C . 15921 1 185 . 1 1 45 45 VAL CA C 13 64.891 0.400 . 1 . . . . 45 VAL CA . 15921 1 186 . 1 1 45 45 VAL CB C 13 30.670 0.400 . 1 . . . . 45 VAL CB . 15921 1 187 . 1 1 45 45 VAL N N 15 114.911 0.400 . 1 . . . . 45 VAL N . 15921 1 188 . 1 1 46 46 THR H H 1 7.736 0.020 . 1 . . . . 46 THR H . 15921 1 189 . 1 1 46 46 THR C C 13 175.815 0.400 . 1 . . . . 46 THR C . 15921 1 190 . 1 1 46 46 THR CA C 13 63.125 0.400 . 1 . . . . 46 THR CA . 15921 1 191 . 1 1 46 46 THR CB C 13 69.177 0.400 . 1 . . . . 46 THR CB . 15921 1 192 . 1 1 46 46 THR N N 15 107.996 0.400 . 1 . . . . 46 THR N . 15921 1 193 . 1 1 47 47 SER H H 1 7.486 0.020 . 1 . . . . 47 SER H . 15921 1 194 . 1 1 47 47 SER C C 13 173.660 0.400 . 1 . . . . 47 SER C . 15921 1 195 . 1 1 47 47 SER CA C 13 60.129 0.400 . 1 . . . . 47 SER CA . 15921 1 196 . 1 1 47 47 SER CB C 13 63.251 0.400 . 1 . . . . 47 SER CB . 15921 1 197 . 1 1 47 47 SER N N 15 116.533 0.400 . 1 . . . . 47 SER N . 15921 1 198 . 1 1 48 48 TYR H H 1 7.513 0.020 . 1 . . . . 48 TYR H . 15921 1 199 . 1 1 48 48 TYR C C 13 174.547 0.400 . 1 . . . . 48 TYR C . 15921 1 200 . 1 1 48 48 TYR CA C 13 57.300 0.400 . 1 . . . . 48 TYR CA . 15921 1 201 . 1 1 48 48 TYR CB C 13 38.891 0.400 . 1 . . . . 48 TYR CB . 15921 1 202 . 1 1 48 48 TYR N N 15 119.947 0.400 . 1 . . . . 48 TYR N . 15921 1 203 . 1 1 49 49 SER H H 1 7.996 0.020 . 1 . . . . 49 SER H . 15921 1 204 . 1 1 49 49 SER C C 13 175.532 0.400 . 1 . . . . 49 SER C . 15921 1 205 . 1 1 49 49 SER CA C 13 57.196 0.400 . 1 . . . . 49 SER CA . 15921 1 206 . 1 1 49 49 SER CB C 13 64.313 0.400 . 1 . . . . 49 SER CB . 15921 1 207 . 1 1 49 49 SER N N 15 114.635 0.400 . 1 . . . . 49 SER N . 15921 1 208 . 1 1 50 50 ILE H H 1 8.668 0.020 . 1 . . . . 50 ILE H . 15921 1 209 . 1 1 50 50 ILE C C 13 176.940 0.400 . 1 . . . . 50 ILE C . 15921 1 210 . 1 1 50 50 ILE CA C 13 63.026 0.400 . 1 . . . . 50 ILE CA . 15921 1 211 . 1 1 50 50 ILE CB C 13 36.645 0.400 . 1 . . . . 50 ILE CB . 15921 1 212 . 1 1 50 50 ILE N N 15 123.423 0.400 . 1 . . . . 50 ILE N . 15921 1 213 . 1 1 51 51 GLU H H 1 8.527 0.020 . 1 . . . . 51 GLU H . 15921 1 214 . 1 1 51 51 GLU C C 13 179.185 0.400 . 1 . . . . 51 GLU C . 15921 1 215 . 1 1 51 51 GLU CA C 13 59.329 0.400 . 1 . . . . 51 GLU CA . 15921 1 216 . 1 1 51 51 GLU CB C 13 27.728 0.400 . 1 . . . . 51 GLU CB . 15921 1 217 . 1 1 51 51 GLU N N 15 119.580 0.400 . 1 . . . . 51 GLU N . 15921 1 218 . 1 1 52 52 THR H H 1 7.736 0.020 . 1 . . . . 52 THR H . 15921 1 219 . 1 1 52 52 THR C C 13 176.220 0.400 . 1 . . . . 52 THR C . 15921 1 220 . 1 1 52 52 THR CA C 13 65.512 0.400 . 1 . . . . 52 THR CA . 15921 1 221 . 1 1 52 52 THR CB C 13 68.076 0.400 . 1 . . . . 52 THR CB . 15921 1 222 . 1 1 52 52 THR N N 15 116.742 0.400 . 1 . . . . 52 THR N . 15921 1 223 . 1 1 53 53 VAL H H 1 7.675 0.020 . 1 . . . . 53 VAL H . 15921 1 224 . 1 1 53 53 VAL C C 13 177.119 0.400 . 1 . . . . 53 VAL C . 15921 1 225 . 1 1 53 53 VAL CA C 13 66.226 0.400 . 1 . . . . 53 VAL CA . 15921 1 226 . 1 1 53 53 VAL CB C 13 30.679 0.400 . 1 . . . . 53 VAL CB . 15921 1 227 . 1 1 53 53 VAL N N 15 120.840 0.400 . 1 . . . . 53 VAL N . 15921 1 228 . 1 1 54 54 VAL H H 1 8.366 0.020 . 1 . . . . 54 VAL H . 15921 1 229 . 1 1 54 54 VAL C C 13 178.266 0.400 . 1 . . . . 54 VAL C . 15921 1 230 . 1 1 54 54 VAL CA C 13 66.304 0.400 . 1 . . . . 54 VAL CA . 15921 1 231 . 1 1 54 54 VAL CB C 13 30.539 0.400 . 1 . . . . 54 VAL CB . 15921 1 232 . 1 1 54 54 VAL N N 15 117.993 0.400 . 1 . . . . 54 VAL N . 15921 1 233 . 1 1 55 55 GLY H H 1 7.853 0.020 . 1 . . . . 55 GLY H . 15921 1 234 . 1 1 55 55 GLY C C 13 176.326 0.400 . 1 . . . . 55 GLY C . 15921 1 235 . 1 1 55 55 GLY CA C 13 46.592 0.400 . 1 . . . . 55 GLY CA . 15921 1 236 . 1 1 55 55 GLY N N 15 107.714 0.400 . 1 . . . . 55 GLY N . 15921 1 237 . 1 1 56 56 VAL H H 1 7.824 0.020 . 1 . . . . 56 VAL H . 15921 1 238 . 1 1 56 56 VAL C C 13 178.171 0.400 . 1 . . . . 56 VAL C . 15921 1 239 . 1 1 56 56 VAL CA C 13 65.569 0.400 . 1 . . . . 56 VAL CA . 15921 1 240 . 1 1 56 56 VAL CB C 13 30.632 0.400 . 1 . . . . 56 VAL CB . 15921 1 241 . 1 1 56 56 VAL N N 15 121.858 0.400 . 1 . . . . 56 VAL N . 15921 1 242 . 1 1 57 57 LEU H H 1 8.181 0.020 . 1 . . . . 57 LEU H . 15921 1 243 . 1 1 57 57 LEU C C 13 179.287 0.400 . 1 . . . . 57 LEU C . 15921 1 244 . 1 1 57 57 LEU CA C 13 57.552 0.400 . 1 . . . . 57 LEU CA . 15921 1 245 . 1 1 57 57 LEU CB C 13 40.384 0.400 . 1 . . . . 57 LEU CB . 15921 1 246 . 1 1 57 57 LEU N N 15 119.129 0.400 . 1 . . . . 57 LEU N . 15921 1 247 . 1 1 58 58 GLY H H 1 8.615 0.020 . 1 . . . . 58 GLY H . 15921 1 248 . 1 1 58 58 GLY C C 13 175.710 0.400 . 1 . . . . 58 GLY C . 15921 1 249 . 1 1 58 58 GLY CA C 13 47.107 0.400 . 1 . . . . 58 GLY CA . 15921 1 250 . 1 1 58 58 GLY N N 15 106.718 0.400 . 1 . . . . 58 GLY N . 15921 1 251 . 1 1 59 59 ASN H H 1 7.753 0.020 . 1 . . . . 59 ASN H . 15921 1 252 . 1 1 59 59 ASN C C 13 177.852 0.400 . 1 . . . . 59 ASN C . 15921 1 253 . 1 1 59 59 ASN CA C 13 55.856 0.400 . 1 . . . . 59 ASN CA . 15921 1 254 . 1 1 59 59 ASN CB C 13 37.980 0.400 . 1 . . . . 59 ASN CB . 15921 1 255 . 1 1 59 59 ASN N N 15 120.101 0.400 . 1 . . . . 59 ASN N . 15921 1 256 . 1 1 60 60 LEU H H 1 8.223 0.020 . 1 . . . . 60 LEU H . 15921 1 257 . 1 1 60 60 LEU C C 13 178.803 0.400 . 1 . . . . 60 LEU C . 15921 1 258 . 1 1 60 60 LEU CA C 13 57.618 0.400 . 1 . . . . 60 LEU CA . 15921 1 259 . 1 1 60 60 LEU CB C 13 40.632 0.400 . 1 . . . . 60 LEU CB . 15921 1 260 . 1 1 60 60 LEU N N 15 120.884 0.400 . 1 . . . . 60 LEU N . 15921 1 261 . 1 1 61 61 CYS H H 1 8.253 0.020 . 1 . . . . 61 CYS H . 15921 1 262 . 1 1 61 61 CYS C C 13 176.421 0.400 . 1 . . . . 61 CYS C . 15921 1 263 . 1 1 61 61 CYS CA C 13 63.741 0.400 . 1 . . . . 61 CYS CA . 15921 1 264 . 1 1 61 61 CYS CB C 13 26.203 0.400 . 1 . . . . 61 CYS CB . 15921 1 265 . 1 1 61 61 CYS N N 15 117.607 0.400 . 1 . . . . 61 CYS N . 15921 1 266 . 1 1 62 62 LEU H H 1 7.779 0.020 . 1 . . . . 62 LEU H . 15921 1 267 . 1 1 62 62 LEU C C 13 179.732 0.400 . 1 . . . . 62 LEU C . 15921 1 268 . 1 1 62 62 LEU CA C 13 57.244 0.400 . 1 . . . . 62 LEU CA . 15921 1 269 . 1 1 62 62 LEU CB C 13 40.254 0.400 . 1 . . . . 62 LEU CB . 15921 1 270 . 1 1 62 62 LEU N N 15 118.724 0.400 . 1 . . . . 62 LEU N . 15921 1 271 . 1 1 63 63 MET H H 1 8.021 0.020 . 1 . . . . 63 MET H . 15921 1 272 . 1 1 63 63 MET C C 13 177.828 0.400 . 1 . . . . 63 MET C . 15921 1 273 . 1 1 63 63 MET CA C 13 58.330 0.400 . 1 . . . . 63 MET CA . 15921 1 274 . 1 1 63 63 MET CB C 13 31.962 0.400 . 1 . . . . 63 MET CB . 15921 1 275 . 1 1 63 63 MET N N 15 119.473 0.400 . 1 . . . . 63 MET N . 15921 1 276 . 1 1 64 64 CYS H H 1 7.880 0.020 . 1 . . . . 64 CYS H . 15921 1 277 . 1 1 64 64 CYS C C 13 175.883 0.400 . 1 . . . . 64 CYS C . 15921 1 278 . 1 1 64 64 CYS CA C 13 62.913 0.400 . 1 . . . . 64 CYS CA . 15921 1 279 . 1 1 64 64 CYS CB C 13 26.804 0.400 . 1 . . . . 64 CYS CB . 15921 1 280 . 1 1 64 64 CYS N N 15 116.525 0.400 . 1 . . . . 64 CYS N . 15921 1 281 . 1 1 65 65 VAL H H 1 7.788 0.020 . 1 . . . . 65 VAL H . 15921 1 282 . 1 1 65 65 VAL C C 13 177.477 0.400 . 1 . . . . 65 VAL C . 15921 1 283 . 1 1 65 65 VAL CA C 13 65.039 0.400 . 1 . . . . 65 VAL CA . 15921 1 284 . 1 1 65 65 VAL CB C 13 30.796 0.400 . 1 . . . . 65 VAL CB . 15921 1 285 . 1 1 65 65 VAL N N 15 116.707 0.400 . 1 . . . . 65 VAL N . 15921 1 286 . 1 1 66 66 THR H H 1 7.812 0.020 . 1 . . . . 66 THR H . 15921 1 287 . 1 1 66 66 THR C C 13 176.237 0.400 . 1 . . . . 66 THR C . 15921 1 288 . 1 1 66 66 THR CA C 13 65.039 0.400 . 1 . . . . 66 THR CA . 15921 1 289 . 1 1 66 66 THR CB C 13 68.594 0.400 . 1 . . . . 66 THR CB . 15921 1 290 . 1 1 66 66 THR N N 15 114.599 0.400 . 1 . . . . 66 THR N . 15921 1 291 . 1 1 67 67 VAL H H 1 7.850 0.020 . 1 . . . . 67 VAL H . 15921 1 292 . 1 1 67 67 VAL C C 13 176.854 0.400 . 1 . . . . 67 VAL C . 15921 1 293 . 1 1 67 67 VAL CA C 13 64.688 0.400 . 1 . . . . 67 VAL CA . 15921 1 294 . 1 1 67 67 VAL CB C 13 30.548 0.400 . 1 . . . . 67 VAL CB . 15921 1 295 . 1 1 67 67 VAL N N 15 120.146 0.400 . 1 . . . . 67 VAL N . 15921 1 296 . 1 1 68 68 ARG H H 1 7.831 0.020 . 1 . . . . 68 ARG H . 15921 1 297 . 1 1 68 68 ARG C C 13 177.026 0.400 . 1 . . . . 68 ARG C . 15921 1 298 . 1 1 68 68 ARG CA C 13 57.561 0.400 . 1 . . . . 68 ARG CA . 15921 1 299 . 1 1 68 68 ARG CB C 13 28.783 0.400 . 1 . . . . 68 ARG CB . 15921 1 300 . 1 1 68 68 ARG N N 15 119.629 0.400 . 1 . . . . 68 ARG N . 15921 1 301 . 1 1 69 69 GLN H H 1 7.846 0.020 . 1 . . . . 69 GLN H . 15921 1 302 . 1 1 69 69 GLN C C 13 177.340 0.400 . 1 . . . . 69 GLN C . 15921 1 303 . 1 1 69 69 GLN CA C 13 57.086 0.400 . 1 . . . . 69 GLN CA . 15921 1 304 . 1 1 69 69 GLN CB C 13 27.852 0.400 . 1 . . . . 69 GLN CB . 15921 1 305 . 1 1 69 69 GLN N N 15 117.188 0.400 . 1 . . . . 69 GLN N . 15921 1 306 . 1 1 70 70 LYS H H 1 7.903 0.020 . 1 . . . . 70 LYS H . 15921 1 307 . 1 1 70 70 LYS C C 13 177.399 0.400 . 1 . . . . 70 LYS C . 15921 1 308 . 1 1 70 70 LYS CA C 13 57.185 0.400 . 1 . . . . 70 LYS CA . 15921 1 309 . 1 1 70 70 LYS CB C 13 31.888 0.400 . 1 . . . . 70 LYS CB . 15921 1 310 . 1 1 70 70 LYS N N 15 119.125 0.400 . 1 . . . . 70 LYS N . 15921 1 311 . 1 1 71 71 GLU H H 1 8.139 0.020 . 1 . . . . 71 GLU H . 15921 1 312 . 1 1 71 71 GLU C C 13 176.762 0.400 . 1 . . . . 71 GLU C . 15921 1 313 . 1 1 71 71 GLU CA C 13 56.430 0.400 . 1 . . . . 71 GLU CA . 15921 1 314 . 1 1 71 71 GLU CB C 13 28.092 0.400 . 1 . . . . 71 GLU CB . 15921 1 315 . 1 1 71 71 GLU N N 15 117.887 0.400 . 1 . . . . 71 GLU N . 15921 1 316 . 1 1 72 72 LYS H H 1 7.951 0.020 . 1 . . . . 72 LYS H . 15921 1 317 . 1 1 72 72 LYS C C 13 176.943 0.400 . 1 . . . . 72 LYS C . 15921 1 318 . 1 1 72 72 LYS CA C 13 57.557 0.400 . 1 . . . . 72 LYS CA . 15921 1 319 . 1 1 72 72 LYS CB C 13 31.378 0.400 . 1 . . . . 72 LYS CB . 15921 1 320 . 1 1 72 72 LYS N N 15 120.119 0.400 . 1 . . . . 72 LYS N . 15921 1 321 . 1 1 73 73 ALA H H 1 8.009 0.020 . 1 . . . . 73 ALA H . 15921 1 322 . 1 1 73 73 ALA C C 13 177.742 0.400 . 1 . . . . 73 ALA C . 15921 1 323 . 1 1 73 73 ALA CA C 13 52.929 0.400 . 1 . . . . 73 ALA CA . 15921 1 324 . 1 1 73 73 ALA CB C 13 17.831 0.400 . 1 . . . . 73 ALA CB . 15921 1 325 . 1 1 73 73 ALA N N 15 122.210 0.400 . 1 . . . . 73 ALA N . 15921 1 326 . 1 1 74 74 ASN H H 1 8.017 0.020 . 1 . . . . 74 ASN H . 15921 1 327 . 1 1 74 74 ASN C C 13 176.590 0.400 . 1 . . . . 74 ASN C . 15921 1 328 . 1 1 74 74 ASN CA C 13 53.932 0.400 . 1 . . . . 74 ASN CA . 15921 1 329 . 1 1 74 74 ASN CB C 13 38.031 0.400 . 1 . . . . 74 ASN CB . 15921 1 330 . 1 1 74 74 ASN N N 15 116.734 0.400 . 1 . . . . 74 ASN N . 15921 1 331 . 1 1 75 75 VAL H H 1 8.101 0.020 . 1 . . . . 75 VAL H . 15921 1 332 . 1 1 75 75 VAL C C 13 176.585 0.400 . 1 . . . . 75 VAL C . 15921 1 333 . 1 1 75 75 VAL CA C 13 64.495 0.400 . 1 . . . . 75 VAL CA . 15921 1 334 . 1 1 75 75 VAL CB C 13 30.794 0.400 . 1 . . . . 75 VAL CB . 15921 1 335 . 1 1 75 75 VAL N N 15 119.059 0.400 . 1 . . . . 75 VAL N . 15921 1 336 . 1 1 76 76 THR H H 1 7.937 0.020 . 1 . . . . 76 THR H . 15921 1 337 . 1 1 76 76 THR C C 13 175.438 0.400 . 1 . . . . 76 THR C . 15921 1 338 . 1 1 76 76 THR CA C 13 65.352 0.400 . 1 . . . . 76 THR CA . 15921 1 339 . 1 1 76 76 THR CB C 13 67.953 0.400 . 1 . . . . 76 THR CB . 15921 1 340 . 1 1 76 76 THR N N 15 114.408 0.400 . 1 . . . . 76 THR N . 15921 1 341 . 1 1 77 77 ASN H H 1 7.933 0.020 . 1 . . . . 77 ASN H . 15921 1 342 . 1 1 77 77 ASN C C 13 176.631 0.400 . 1 . . . . 77 ASN C . 15921 1 343 . 1 1 77 77 ASN CA C 13 55.010 0.400 . 1 . . . . 77 ASN CA . 15921 1 344 . 1 1 77 77 ASN CB C 13 37.823 0.400 . 1 . . . . 77 ASN CB . 15921 1 345 . 1 1 77 77 ASN N N 15 118.552 0.400 . 1 . . . . 77 ASN N . 15921 1 346 . 1 1 78 78 LEU H H 1 7.664 0.020 . 1 . . . . 78 LEU H . 15921 1 347 . 1 1 78 78 LEU C C 13 177.914 0.400 . 1 . . . . 78 LEU C . 15921 1 348 . 1 1 78 78 LEU CA C 13 56.610 0.400 . 1 . . . . 78 LEU CA . 15921 1 349 . 1 1 78 78 LEU CB C 13 41.235 0.400 . 1 . . . . 78 LEU CB . 15921 1 350 . 1 1 78 78 LEU N N 15 120.124 0.400 . 1 . . . . 78 LEU N . 15921 1 351 . 1 1 79 79 LEU H H 1 7.748 0.020 . 1 . . . . 79 LEU H . 15921 1 352 . 1 1 79 79 LEU C C 13 177.916 0.400 . 1 . . . . 79 LEU C . 15921 1 353 . 1 1 79 79 LEU CA C 13 56.825 0.400 . 1 . . . . 79 LEU CA . 15921 1 354 . 1 1 79 79 LEU CB C 13 40.967 0.400 . 1 . . . . 79 LEU CB . 15921 1 355 . 1 1 79 79 LEU N N 15 118.737 0.400 . 1 . . . . 79 LEU N . 15921 1 356 . 1 1 80 80 ILE H H 1 7.748 0.020 . 1 . . . . 80 ILE H . 15921 1 357 . 1 1 80 80 ILE C C 13 176.982 0.400 . 1 . . . . 80 ILE C . 15921 1 358 . 1 1 80 80 ILE CA C 13 62.554 0.400 . 1 . . . . 80 ILE CA . 15921 1 359 . 1 1 80 80 ILE CB C 13 37.006 0.400 . 1 . . . . 80 ILE CB . 15921 1 360 . 1 1 80 80 ILE N N 15 115.977 0.400 . 1 . . . . 80 ILE N . 15921 1 361 . 1 1 81 81 ALA H H 1 7.726 0.020 . 1 . . . . 81 ALA H . 15921 1 362 . 1 1 81 81 ALA C C 13 178.009 0.400 . 1 . . . . 81 ALA C . 15921 1 363 . 1 1 81 81 ALA CA C 13 53.177 0.400 . 1 . . . . 81 ALA CA . 15921 1 364 . 1 1 81 81 ALA CB C 13 17.982 0.400 . 1 . . . . 81 ALA CB . 15921 1 365 . 1 1 81 81 ALA N N 15 121.253 0.400 . 1 . . . . 81 ALA N . 15921 1 366 . 1 1 82 82 ASN H H 1 7.648 0.020 . 1 . . . . 82 ASN H . 15921 1 367 . 1 1 82 82 ASN C C 13 174.909 0.400 . 1 . . . . 82 ASN C . 15921 1 368 . 1 1 82 82 ASN CA C 13 53.546 0.400 . 1 . . . . 82 ASN CA . 15921 1 369 . 1 1 82 82 ASN CB C 13 39.120 0.400 . 1 . . . . 82 ASN CB . 15921 1 370 . 1 1 82 82 ASN N N 15 114.432 0.400 . 1 . . . . 82 ASN N . 15921 1 371 . 1 1 83 83 LEU H H 1 7.713 0.020 . 1 . . . . 83 LEU H . 15921 1 372 . 1 1 83 83 LEU C C 13 177.014 0.400 . 1 . . . . 83 LEU C . 15921 1 373 . 1 1 83 83 LEU CA C 13 55.624 0.400 . 1 . . . . 83 LEU CA . 15921 1 374 . 1 1 83 83 LEU CB C 13 41.242 0.400 . 1 . . . . 83 LEU CB . 15921 1 375 . 1 1 83 83 LEU N N 15 121.071 0.400 . 1 . . . . 83 LEU N . 15921 1 376 . 1 1 84 84 ALA H H 1 8.026 0.020 . 1 . . . . 84 ALA H . 15921 1 377 . 1 1 84 84 ALA C C 13 178.085 0.400 . 1 . . . . 84 ALA C . 15921 1 378 . 1 1 84 84 ALA CA C 13 52.829 0.400 . 1 . . . . 84 ALA CA . 15921 1 379 . 1 1 84 84 ALA CB C 13 17.628 0.400 . 1 . . . . 84 ALA CB . 15921 1 380 . 1 1 84 84 ALA N N 15 122.608 0.400 . 1 . . . . 84 ALA N . 15921 1 381 . 1 1 85 85 PHE H H 1 7.832 0.020 . 1 . . . . 85 PHE H . 15921 1 382 . 1 1 85 85 PHE C C 13 176.416 0.400 . 1 . . . . 85 PHE C . 15921 1 383 . 1 1 85 85 PHE CA C 13 58.715 0.400 . 1 . . . . 85 PHE CA . 15921 1 384 . 1 1 85 85 PHE CB C 13 38.221 0.400 . 1 . . . . 85 PHE CB . 15921 1 385 . 1 1 85 85 PHE N N 15 116.965 0.400 . 1 . . . . 85 PHE N . 15921 1 386 . 1 1 86 86 SER H H 1 8.013 0.020 . 1 . . . . 86 SER H . 15921 1 387 . 1 1 86 86 SER C C 13 175.522 0.400 . 1 . . . . 86 SER C . 15921 1 388 . 1 1 86 86 SER CA C 13 60.676 0.400 . 1 . . . . 86 SER CA . 15921 1 389 . 1 1 86 86 SER CB C 13 62.804 0.400 . 1 . . . . 86 SER CB . 15921 1 390 . 1 1 86 86 SER N N 15 114.770 0.400 . 1 . . . . 86 SER N . 15921 1 391 . 1 1 87 87 ASP H H 1 8.107 0.020 . 1 . . . . 87 ASP H . 15921 1 392 . 1 1 87 87 ASP C C 13 178.197 0.400 . 1 . . . . 87 ASP C . 15921 1 393 . 1 1 87 87 ASP CA C 13 56.714 0.400 . 1 . . . . 87 ASP CA . 15921 1 394 . 1 1 87 87 ASP CB C 13 39.495 0.400 . 1 . . . . 87 ASP CB . 15921 1 395 . 1 1 87 87 ASP N N 15 121.944 0.400 . 1 . . . . 87 ASP N . 15921 1 396 . 1 1 88 88 PHE H H 1 7.930 0.020 . 1 . . . . 88 PHE H . 15921 1 397 . 1 1 88 88 PHE C C 13 176.854 0.400 . 1 . . . . 88 PHE C . 15921 1 398 . 1 1 88 88 PHE CA C 13 60.276 0.400 . 1 . . . . 88 PHE CA . 15921 1 399 . 1 1 88 88 PHE CB C 13 38.171 0.400 . 1 . . . . 88 PHE CB . 15921 1 400 . 1 1 88 88 PHE N N 15 120.164 0.400 . 1 . . . . 88 PHE N . 15921 1 401 . 1 1 89 89 LEU H H 1 7.876 0.020 . 1 . . . . 89 LEU H . 15921 1 402 . 1 1 89 89 LEU C C 13 178.230 0.400 . 1 . . . . 89 LEU C . 15921 1 403 . 1 1 89 89 LEU CA C 13 57.193 0.400 . 1 . . . . 89 LEU CA . 15921 1 404 . 1 1 89 89 LEU CB C 13 40.554 0.400 . 1 . . . . 89 LEU CB . 15921 1 405 . 1 1 89 89 LEU N N 15 118.322 0.400 . 1 . . . . 89 LEU N . 15921 1 406 . 1 1 90 90 MET H H 1 7.946 0.020 . 1 . . . . 90 MET H . 15921 1 407 . 1 1 90 90 MET C C 13 178.358 0.400 . 1 . . . . 90 MET C . 15921 1 408 . 1 1 90 90 MET CA C 13 57.389 0.400 . 1 . . . . 90 MET CA . 15921 1 409 . 1 1 90 90 MET CB C 13 30.773 0.400 . 1 . . . . 90 MET CB . 15921 1 410 . 1 1 90 90 MET N N 15 115.666 0.400 . 1 . . . . 90 MET N . 15921 1 411 . 1 1 91 91 CYS H H 1 7.678 0.020 . 1 . . . . 91 CYS H . 15921 1 412 . 1 1 91 91 CYS C C 13 176.489 0.400 . 1 . . . . 91 CYS C . 15921 1 413 . 1 1 91 91 CYS CA C 13 61.858 0.400 . 1 . . . . 91 CYS CA . 15921 1 414 . 1 1 91 91 CYS CB C 13 26.084 0.400 . 1 . . . . 91 CYS CB . 15921 1 415 . 1 1 91 91 CYS N N 15 117.566 0.400 . 1 . . . . 91 CYS N . 15921 1 416 . 1 1 92 92 LEU H H 1 7.523 0.020 . 1 . . . . 92 LEU H . 15921 1 417 . 1 1 92 92 LEU C C 13 176.955 0.400 . 1 . . . . 92 LEU C . 15921 1 418 . 1 1 92 92 LEU CA C 13 57.080 0.400 . 1 . . . . 92 LEU CA . 15921 1 419 . 1 1 92 92 LEU CB C 13 40.879 0.400 . 1 . . . . 92 LEU CB . 15921 1 420 . 1 1 92 92 LEU N N 15 119.597 0.400 . 1 . . . . 92 LEU N . 15921 1 421 . 1 1 93 93 LEU H H 1 7.541 0.020 . 1 . . . . 93 LEU H . 15921 1 422 . 1 1 93 93 LEU C C 13 177.303 0.400 . 1 . . . . 93 LEU C . 15921 1 423 . 1 1 93 93 LEU CA C 13 55.777 0.400 . 1 . . . . 93 LEU CA . 15921 1 424 . 1 1 93 93 LEU CB C 13 41.017 0.400 . 1 . . . . 93 LEU CB . 15921 1 425 . 1 1 93 93 LEU N N 15 113.374 0.400 . 1 . . . . 93 LEU N . 15921 1 426 . 1 1 94 94 CYS H H 1 7.463 0.020 . 1 . . . . 94 CYS H . 15921 1 427 . 1 1 94 94 CYS C C 13 175.267 0.400 . 1 . . . . 94 CYS C . 15921 1 428 . 1 1 94 94 CYS CA C 13 60.090 0.400 . 1 . . . . 94 CYS CA . 15921 1 429 . 1 1 94 94 CYS CB C 13 27.666 0.400 . 1 . . . . 94 CYS CB . 15921 1 430 . 1 1 94 94 CYS N N 15 113.246 0.400 . 1 . . . . 94 CYS N . 15921 1 431 . 1 1 97 97 LEU H H 1 8.131 0.020 . 1 . . . . 97 LEU H . 15921 1 432 . 1 1 97 97 LEU C C 13 178.197 0.400 . 1 . . . . 97 LEU C . 15921 1 433 . 1 1 97 97 LEU CA C 13 56.787 0.400 . 1 . . . . 97 LEU CA . 15921 1 434 . 1 1 97 97 LEU CB C 13 39.982 0.400 . 1 . . . . 97 LEU CB . 15921 1 435 . 1 1 97 97 LEU N N 15 117.315 0.400 . 1 . . . . 97 LEU N . 15921 1 436 . 1 1 98 98 THR H H 1 7.656 0.020 . 1 . . . . 98 THR H . 15921 1 437 . 1 1 98 98 THR CA C 13 65.312 0.400 . 1 . . . . 98 THR CA . 15921 1 438 . 1 1 98 98 THR CB C 13 68.215 0.400 . 1 . . . . 98 THR CB . 15921 1 439 . 1 1 98 98 THR N N 15 112.816 0.400 . 1 . . . . 98 THR N . 15921 1 440 . 1 1 99 99 ALA H H 1 7.805 0.020 . 1 . . . . 99 ALA H . 15921 1 441 . 1 1 99 99 ALA C C 13 178.848 0.400 . 1 . . . . 99 ALA C . 15921 1 442 . 1 1 99 99 ALA CA C 13 54.592 0.400 . 1 . . . . 99 ALA CA . 15921 1 443 . 1 1 99 99 ALA CB C 13 17.593 0.400 . 1 . . . . 99 ALA CB . 15921 1 444 . 1 1 99 99 ALA N N 15 124.299 0.400 . 1 . . . . 99 ALA N . 15921 1 445 . 1 1 100 100 VAL H H 1 7.664 0.020 . 1 . . . . 100 VAL H . 15921 1 446 . 1 1 100 100 VAL C C 13 177.032 0.400 . 1 . . . . 100 VAL C . 15921 1 447 . 1 1 100 100 VAL CA C 13 65.607 0.400 . 1 . . . . 100 VAL CA . 15921 1 448 . 1 1 100 100 VAL CB C 13 30.546 0.400 . 1 . . . . 100 VAL CB . 15921 1 449 . 1 1 100 100 VAL N N 15 116.162 0.400 . 1 . . . . 100 VAL N . 15921 1 450 . 1 1 101 101 TYR H H 1 7.939 0.020 . 1 . . . . 101 TYR H . 15921 1 451 . 1 1 101 101 TYR C C 13 177.758 0.400 . 1 . . . . 101 TYR C . 15921 1 452 . 1 1 101 101 TYR CA C 13 59.883 0.400 . 1 . . . . 101 TYR CA . 15921 1 453 . 1 1 101 101 TYR CB C 13 36.748 0.400 . 1 . . . . 101 TYR CB . 15921 1 454 . 1 1 101 101 TYR N N 15 118.513 0.400 . 1 . . . . 101 TYR N . 15921 1 455 . 1 1 102 102 THR H H 1 7.909 0.020 . 1 . . . . 102 THR H . 15921 1 456 . 1 1 102 102 THR C C 13 176.027 0.400 . 1 . . . . 102 THR C . 15921 1 457 . 1 1 102 102 THR CA C 13 65.878 0.400 . 1 . . . . 102 THR CA . 15921 1 458 . 1 1 102 102 THR CB C 13 68.552 0.400 . 1 . . . . 102 THR CB . 15921 1 459 . 1 1 102 102 THR N N 15 114.942 0.400 . 1 . . . . 102 THR N . 15921 1 460 . 1 1 103 103 ILE H H 1 7.801 0.020 . 1 . . . . 103 ILE H . 15921 1 461 . 1 1 103 103 ILE C C 13 177.296 0.400 . 1 . . . . 103 ILE C . 15921 1 462 . 1 1 103 103 ILE CA C 13 64.101 0.400 . 1 . . . . 103 ILE CA . 15921 1 463 . 1 1 103 103 ILE CB C 13 36.779 0.400 . 1 . . . . 103 ILE CB . 15921 1 464 . 1 1 103 103 ILE N N 15 120.128 0.400 . 1 . . . . 103 ILE N . 15921 1 465 . 1 1 104 104 MET H H 1 8.011 0.020 . 1 . . . . 104 MET H . 15921 1 466 . 1 1 104 104 MET C C 13 177.495 0.400 . 1 . . . . 104 MET C . 15921 1 467 . 1 1 104 104 MET CA C 13 58.190 0.400 . 1 . . . . 104 MET CA . 15921 1 468 . 1 1 104 104 MET CB C 13 31.580 0.400 . 1 . . . . 104 MET CB . 15921 1 469 . 1 1 104 104 MET N N 15 117.727 0.400 . 1 . . . . 104 MET N . 15921 1 470 . 1 1 105 105 ASP H H 1 7.978 0.020 . 1 . . . . 105 ASP H . 15921 1 471 . 1 1 105 105 ASP C C 13 177.742 0.400 . 1 . . . . 105 ASP C . 15921 1 472 . 1 1 105 105 ASP CA C 13 56.131 0.400 . 1 . . . . 105 ASP CA . 15921 1 473 . 1 1 105 105 ASP CB C 13 39.540 0.400 . 1 . . . . 105 ASP CB . 15921 1 474 . 1 1 105 105 ASP N N 15 118.206 0.400 . 1 . . . . 105 ASP N . 15921 1 475 . 1 1 106 106 TYR H H 1 7.862 0.020 . 1 . . . . 106 TYR H . 15921 1 476 . 1 1 106 106 TYR C C 13 177.029 0.400 . 1 . . . . 106 TYR C . 15921 1 477 . 1 1 106 106 TYR CA C 13 59.975 0.400 . 1 . . . . 106 TYR CA . 15921 1 478 . 1 1 106 106 TYR CB C 13 37.529 0.400 . 1 . . . . 106 TYR CB . 15921 1 479 . 1 1 106 106 TYR N N 15 118.423 0.400 . 1 . . . . 106 TYR N . 15921 1 480 . 1 1 107 107 TRP H H 1 8.190 0.020 . 1 . . . . 107 TRP H . 15921 1 481 . 1 1 107 107 TRP C C 13 176.828 0.400 . 1 . . . . 107 TRP C . 15921 1 482 . 1 1 107 107 TRP CA C 13 59.408 0.400 . 1 . . . . 107 TRP CA . 15921 1 483 . 1 1 107 107 TRP CB C 13 28.847 0.400 . 1 . . . . 107 TRP CB . 15921 1 484 . 1 1 107 107 TRP N N 15 120.390 0.400 . 1 . . . . 107 TRP N . 15921 1 485 . 1 1 108 108 ILE H H 1 7.786 0.020 . 1 . . . . 108 ILE H . 15921 1 486 . 1 1 108 108 ILE C C 13 177.551 0.400 . 1 . . . . 108 ILE C . 15921 1 487 . 1 1 108 108 ILE CA C 13 62.928 0.400 . 1 . . . . 108 ILE CA . 15921 1 488 . 1 1 108 108 ILE CB C 13 36.541 0.400 . 1 . . . . 108 ILE CB . 15921 1 489 . 1 1 108 108 ILE N N 15 117.441 0.400 . 1 . . . . 108 ILE N . 15921 1 490 . 1 1 109 109 PHE H H 1 7.666 0.020 . 1 . . . . 109 PHE H . 15921 1 491 . 1 1 109 109 PHE C C 13 177.289 0.400 . 1 . . . . 109 PHE C . 15921 1 492 . 1 1 109 109 PHE CA C 13 59.212 0.400 . 1 . . . . 109 PHE CA . 15921 1 493 . 1 1 109 109 PHE CB C 13 38.067 0.400 . 1 . . . . 109 PHE CB . 15921 1 494 . 1 1 109 109 PHE N N 15 119.482 0.400 . 1 . . . . 109 PHE N . 15921 1 495 . 1 1 110 110 GLY H H 1 8.122 0.020 . 1 . . . . 110 GLY H . 15921 1 496 . 1 1 110 110 GLY C C 13 174.728 0.400 . 1 . . . . 110 GLY C . 15921 1 497 . 1 1 110 110 GLY CA C 13 46.379 0.400 . 1 . . . . 110 GLY CA . 15921 1 498 . 1 1 110 110 GLY N N 15 107.674 0.400 . 1 . . . . 110 GLY N . 15921 1 499 . 1 1 111 111 GLU H H 1 8.246 0.020 . 1 . . . . 111 GLU H . 15921 1 500 . 1 1 111 111 GLU C C 13 177.570 0.400 . 1 . . . . 111 GLU C . 15921 1 501 . 1 1 111 111 GLU CA C 13 57.799 0.400 . 1 . . . . 111 GLU CA . 15921 1 502 . 1 1 111 111 GLU CB C 13 27.902 0.400 . 1 . . . . 111 GLU CB . 15921 1 503 . 1 1 111 111 GLU N N 15 120.011 0.400 . 1 . . . . 111 GLU N . 15921 1 504 . 1 1 112 112 THR H H 1 7.774 0.020 . 1 . . . . 112 THR H . 15921 1 505 . 1 1 112 112 THR C C 13 175.617 0.400 . 1 . . . . 112 THR C . 15921 1 506 . 1 1 112 112 THR CA C 13 64.716 0.400 . 1 . . . . 112 THR CA . 15921 1 507 . 1 1 112 112 THR CB C 13 68.348 0.400 . 1 . . . . 112 THR CB . 15921 1 508 . 1 1 112 112 THR N N 15 113.838 0.400 . 1 . . . . 112 THR N . 15921 1 509 . 1 1 113 113 LEU H H 1 7.848 0.020 . 1 . . . . 113 LEU H . 15921 1 510 . 1 1 113 113 LEU C C 13 178.085 0.400 . 1 . . . . 113 LEU C . 15921 1 511 . 1 1 113 113 LEU CA C 13 56.756 0.400 . 1 . . . . 113 LEU CA . 15921 1 512 . 1 1 113 113 LEU CB C 13 40.886 0.400 . 1 . . . . 113 LEU CB . 15921 1 513 . 1 1 113 113 LEU N N 15 121.518 0.400 . 1 . . . . 113 LEU N . 15921 1 514 . 1 1 114 114 CYS H H 1 7.807 0.020 . 1 . . . . 114 CYS H . 15921 1 515 . 1 1 114 114 CYS C C 13 175.433 0.400 . 1 . . . . 114 CYS C . 15921 1 516 . 1 1 114 114 CYS CA C 13 60.692 0.400 . 1 . . . . 114 CYS CA . 15921 1 517 . 1 1 114 114 CYS CB C 13 26.926 0.400 . 1 . . . . 114 CYS CB . 15921 1 518 . 1 1 114 114 CYS N N 15 115.664 0.400 . 1 . . . . 114 CYS N . 15921 1 519 . 1 1 115 115 LYS H H 1 7.800 0.020 . 1 . . . . 115 LYS H . 15921 1 520 . 1 1 115 115 LYS C C 13 176.860 0.400 . 1 . . . . 115 LYS C . 15921 1 521 . 1 1 115 115 LYS CA C 13 57.202 0.400 . 1 . . . . 115 LYS CA . 15921 1 522 . 1 1 115 115 LYS CB C 13 31.471 0.400 . 1 . . . . 115 LYS CB . 15921 1 523 . 1 1 115 115 LYS N N 15 119.058 0.400 . 1 . . . . 115 LYS N . 15921 1 524 . 1 1 116 116 HIS H H 1 7.882 0.020 . 1 . . . . 116 HIS H . 15921 1 525 . 1 1 116 116 HIS C C 13 174.380 0.400 . 1 . . . . 116 HIS C . 15921 1 526 . 1 1 116 116 HIS CA C 13 55.420 0.400 . 1 . . . . 116 HIS CA . 15921 1 527 . 1 1 116 116 HIS CB C 13 28.445 0.400 . 1 . . . . 116 HIS CB . 15921 1 528 . 1 1 116 116 HIS N N 15 116.160 0.400 . 1 . . . . 116 HIS N . 15921 1 529 . 1 1 117 117 HIS H H 1 7.943 0.020 . 1 . . . . 117 HIS H . 15921 1 530 . 1 1 117 117 HIS C C 13 173.812 0.400 . 1 . . . . 117 HIS C . 15921 1 531 . 1 1 117 117 HIS N N 15 117.910 0.400 . 1 . . . . 117 HIS N . 15921 1 stop_ save_