data_18220 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18220 _Entry.Title ; Backbone structure of human membrane protein TMEM14A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-26 _Entry.Accession_date 2012-01-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Cedric Eichmann . . . 18220 2 Christian Klammt . . . 18220 3 Innokentiy Maslennikov . . . 18220 4 Witek Kwiatkowski . . . 18220 5 Roland Riek . . . 18220 6 Senyon Choe . . . 18220 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18220 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Backbone structure' . 18220 'Helical bundle' . 18220 'Homo sapiens' . 18220 'Membrane protein' . 18220 'Paramagnetic relaxation enhancement' . 18220 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18220 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 350 18220 '15N chemical shifts' 97 18220 '1H chemical shifts' 372 18220 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 . . 2013-07-15 2012-01-26 update BMRB 'update entry citation' 18220 1 . . 2012-05-22 2012-01-26 original author 'original release' 18220 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18217 HIGD1A 18220 BMRB 18218 HIGD1B 18220 BMRB 18219 TMEM14A(NOE) 18220 BMRB 18221 FAM14B 18220 BMRB 18222 TMEM141 18220 BMRB 18223 TMEM14C 18220 PDB 2LOP 'BMRB Entry Tracking System' 18220 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18220 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22609626 _Citation.Full_citation . _Citation.Title 'Facile backbone structure determination of human membrane proteins by NMR spectroscopy.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Methods' _Citation.Journal_name_full 'Nature methods' _Citation.Journal_volume 9 _Citation.Journal_issue 8 _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 834 _Citation.Page_last 839 _Citation.Year 2012 _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 Christian Klammt . . . 18220 1 2 Innokentiy Maslennikov . . . 18220 1 3 Monika Bayrhuber . . . 18220 1 4 Cedric Eichmann . . . 18220 1 5 Navratna Vajpai . . . 18220 1 6 'Ellis Jeremy Chua' Chiu . . . 18220 1 7 Katherine Blain . Y. . 18220 1 8 Luis Esquivies . . . 18220 1 9 'June Hyun Jung' Kwon . . . 18220 1 10 Bartosz Balana . . . 18220 1 11 Ursula Pieper . . . 18220 1 12 Andrej Sali . . . 18220 1 13 Paul Slesinger . A. . 18220 1 14 Witek Kwiatkowski . . . 18220 1 15 Roland Riek . . . 18220 1 16 Senyon Choe . . . 18220 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18220 _Assembly.ID 1 _Assembly.Name TMEM14A _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _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 TMEM14A 1 $TMEM14A A . yes native no no . . . 18220 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TMEM14A _Entity.Sf_category entity _Entity.Sf_framecode TMEM14A _Entity.Entry_ID 18220 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTSLYKKVGMDLIGFGYAAL VTFGSIFGYKRRGGVPSLIA GLFVGCLAGYGAYRVSNDKR DVKVSLFTAFFLATIMGVRF KRSKKIMPAGLVAGLSLMMI LRLVLLLL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-9 represent GW cloning tag.' _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'The following single-cysteine mutations were made for spin-labeling with MTSL: C37S/Y20C, C37S/S47C, C37S/S56C, C37S/S74C, C37S/S87C, C37S/L99C' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10725.127 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 18219 . entity . . . . . 100.00 108 100.00 100.00 6.30e-66 . . . . 18220 1 2 no PDB 2LOO . "Backbone Structure Of Human Membrane Protein Tmem14a From Noe Data" . . . . . 100.00 108 100.00 100.00 6.30e-66 . . . . 18220 1 3 no PDB 2LOP . "Backbone Structure Of Human Membrane Protein Tmem14a" . . . . . 100.00 108 100.00 100.00 6.30e-66 . . . . 18220 1 4 no DBJ BAG34999 . "unnamed protein product [Homo sapiens]" . . . . . 91.67 99 100.00 100.00 2.52e-59 . . . . 18220 1 5 no GB AAD44496 . "PTD011 [Homo sapiens]" . . . . . 91.67 99 100.00 100.00 2.52e-59 . . . . 18220 1 6 no GB AAF59948 . "TS58 [Homo sapiens]" . . . . . 91.67 99 100.00 100.00 2.52e-59 . . . . 18220 1 7 no GB AAH15097 . "Transmembrane protein 14A [Homo sapiens]" . . . . . 91.67 99 100.00 100.00 2.52e-59 . . . . 18220 1 8 no GB AAH19328 . "Transmembrane protein 14A [Homo sapiens]" . . . . . 91.67 99 100.00 100.00 2.52e-59 . . . . 18220 1 9 no GB ADQ32420 . "transmembrane protein 14A [synthetic construct]" . . . . . 91.67 99 100.00 100.00 2.52e-59 . . . . 18220 1 10 no REF NP_001253566 . "transmembrane protein 14A [Macaca mulatta]" . . . . . 91.67 99 98.99 98.99 1.07e-57 . . . . 18220 1 11 no REF NP_054770 . "transmembrane protein 14A [Homo sapiens]" . . . . . 91.67 99 100.00 100.00 2.52e-59 . . . . 18220 1 12 no REF XP_002746732 . "PREDICTED: transmembrane protein 14A [Callithrix jacchus]" . . . . . 91.67 99 98.99 98.99 1.07e-57 . . . . 18220 1 13 no REF XP_002817046 . "PREDICTED: transmembrane protein 14A [Pongo abelii]" . . . . . 91.67 99 98.99 98.99 1.07e-57 . . . . 18220 1 14 no REF XP_003254199 . "PREDICTED: transmembrane protein 14A isoform X2 [Nomascus leucogenys]" . . . . . 91.67 99 98.99 98.99 1.07e-57 . . . . 18220 1 15 no SP Q9Y6G1 . "RecName: Full=Transmembrane protein 14A" . . . . . 91.67 99 100.00 100.00 2.52e-59 . . . . 18220 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 -8 MET . 18220 1 2 -7 THR . 18220 1 3 -6 SER . 18220 1 4 -5 LEU . 18220 1 5 -4 TYR . 18220 1 6 -3 LYS . 18220 1 7 -2 LYS . 18220 1 8 -1 VAL . 18220 1 9 0 GLY . 18220 1 10 1 MET . 18220 1 11 2 ASP . 18220 1 12 3 LEU . 18220 1 13 4 ILE . 18220 1 14 5 GLY . 18220 1 15 6 PHE . 18220 1 16 7 GLY . 18220 1 17 8 TYR . 18220 1 18 9 ALA . 18220 1 19 10 ALA . 18220 1 20 11 LEU . 18220 1 21 12 VAL . 18220 1 22 13 THR . 18220 1 23 14 PHE . 18220 1 24 15 GLY . 18220 1 25 16 SER . 18220 1 26 17 ILE . 18220 1 27 18 PHE . 18220 1 28 19 GLY . 18220 1 29 20 TYR . 18220 1 30 21 LYS . 18220 1 31 22 ARG . 18220 1 32 23 ARG . 18220 1 33 24 GLY . 18220 1 34 25 GLY . 18220 1 35 26 VAL . 18220 1 36 27 PRO . 18220 1 37 28 SER . 18220 1 38 29 LEU . 18220 1 39 30 ILE . 18220 1 40 31 ALA . 18220 1 41 32 GLY . 18220 1 42 33 LEU . 18220 1 43 34 PHE . 18220 1 44 35 VAL . 18220 1 45 36 GLY . 18220 1 46 37 CYS . 18220 1 47 38 LEU . 18220 1 48 39 ALA . 18220 1 49 40 GLY . 18220 1 50 41 TYR . 18220 1 51 42 GLY . 18220 1 52 43 ALA . 18220 1 53 44 TYR . 18220 1 54 45 ARG . 18220 1 55 46 VAL . 18220 1 56 47 SER . 18220 1 57 48 ASN . 18220 1 58 49 ASP . 18220 1 59 50 LYS . 18220 1 60 51 ARG . 18220 1 61 52 ASP . 18220 1 62 53 VAL . 18220 1 63 54 LYS . 18220 1 64 55 VAL . 18220 1 65 56 SER . 18220 1 66 57 LEU . 18220 1 67 58 PHE . 18220 1 68 59 THR . 18220 1 69 60 ALA . 18220 1 70 61 PHE . 18220 1 71 62 PHE . 18220 1 72 63 LEU . 18220 1 73 64 ALA . 18220 1 74 65 THR . 18220 1 75 66 ILE . 18220 1 76 67 MET . 18220 1 77 68 GLY . 18220 1 78 69 VAL . 18220 1 79 70 ARG . 18220 1 80 71 PHE . 18220 1 81 72 LYS . 18220 1 82 73 ARG . 18220 1 83 74 SER . 18220 1 84 75 LYS . 18220 1 85 76 LYS . 18220 1 86 77 ILE . 18220 1 87 78 MET . 18220 1 88 79 PRO . 18220 1 89 80 ALA . 18220 1 90 81 GLY . 18220 1 91 82 LEU . 18220 1 92 83 VAL . 18220 1 93 84 ALA . 18220 1 94 85 GLY . 18220 1 95 86 LEU . 18220 1 96 87 SER . 18220 1 97 88 LEU . 18220 1 98 89 MET . 18220 1 99 90 MET . 18220 1 100 91 ILE . 18220 1 101 92 LEU . 18220 1 102 93 ARG . 18220 1 103 94 LEU . 18220 1 104 95 VAL . 18220 1 105 96 LEU . 18220 1 106 97 LEU . 18220 1 107 98 LEU . 18220 1 108 99 LEU . 18220 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 18220 1 . THR 2 2 18220 1 . SER 3 3 18220 1 . LEU 4 4 18220 1 . TYR 5 5 18220 1 . LYS 6 6 18220 1 . LYS 7 7 18220 1 . VAL 8 8 18220 1 . GLY 9 9 18220 1 . MET 10 10 18220 1 . ASP 11 11 18220 1 . LEU 12 12 18220 1 . ILE 13 13 18220 1 . GLY 14 14 18220 1 . PHE 15 15 18220 1 . GLY 16 16 18220 1 . TYR 17 17 18220 1 . ALA 18 18 18220 1 . ALA 19 19 18220 1 . LEU 20 20 18220 1 . VAL 21 21 18220 1 . THR 22 22 18220 1 . PHE 23 23 18220 1 . GLY 24 24 18220 1 . SER 25 25 18220 1 . ILE 26 26 18220 1 . PHE 27 27 18220 1 . GLY 28 28 18220 1 . TYR 29 29 18220 1 . LYS 30 30 18220 1 . ARG 31 31 18220 1 . ARG 32 32 18220 1 . GLY 33 33 18220 1 . GLY 34 34 18220 1 . VAL 35 35 18220 1 . PRO 36 36 18220 1 . SER 37 37 18220 1 . LEU 38 38 18220 1 . ILE 39 39 18220 1 . ALA 40 40 18220 1 . GLY 41 41 18220 1 . LEU 42 42 18220 1 . PHE 43 43 18220 1 . VAL 44 44 18220 1 . GLY 45 45 18220 1 . CYS 46 46 18220 1 . LEU 47 47 18220 1 . ALA 48 48 18220 1 . GLY 49 49 18220 1 . TYR 50 50 18220 1 . GLY 51 51 18220 1 . ALA 52 52 18220 1 . TYR 53 53 18220 1 . ARG 54 54 18220 1 . VAL 55 55 18220 1 . SER 56 56 18220 1 . ASN 57 57 18220 1 . ASP 58 58 18220 1 . LYS 59 59 18220 1 . ARG 60 60 18220 1 . ASP 61 61 18220 1 . VAL 62 62 18220 1 . LYS 63 63 18220 1 . VAL 64 64 18220 1 . SER 65 65 18220 1 . LEU 66 66 18220 1 . PHE 67 67 18220 1 . THR 68 68 18220 1 . ALA 69 69 18220 1 . PHE 70 70 18220 1 . PHE 71 71 18220 1 . LEU 72 72 18220 1 . ALA 73 73 18220 1 . THR 74 74 18220 1 . ILE 75 75 18220 1 . MET 76 76 18220 1 . GLY 77 77 18220 1 . VAL 78 78 18220 1 . ARG 79 79 18220 1 . PHE 80 80 18220 1 . LYS 81 81 18220 1 . ARG 82 82 18220 1 . SER 83 83 18220 1 . LYS 84 84 18220 1 . LYS 85 85 18220 1 . ILE 86 86 18220 1 . MET 87 87 18220 1 . PRO 88 88 18220 1 . ALA 89 89 18220 1 . GLY 90 90 18220 1 . LEU 91 91 18220 1 . VAL 92 92 18220 1 . ALA 93 93 18220 1 . GLY 94 94 18220 1 . LEU 95 95 18220 1 . SER 96 96 18220 1 . LEU 97 97 18220 1 . MET 98 98 18220 1 . MET 99 99 18220 1 . ILE 100 100 18220 1 . LEU 101 101 18220 1 . ARG 102 102 18220 1 . LEU 103 103 18220 1 . VAL 104 104 18220 1 . LEU 105 105 18220 1 . LEU 106 106 18220 1 . LEU 107 107 18220 1 . LEU 108 108 18220 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 18220 _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 $TMEM14A . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18220 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 18220 _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 $TMEM14A . 'cell free synthesis' 'E. coli - cell free' . . . . . . . . . . . . . . . . . . . . . p23-GWN . . . . . . 18220 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_N _Sample.Sf_category sample _Sample.Sf_framecode sample_N _Sample.Entry_ID 18220 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'U-15N-labeled protein' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TMEM14A [U-15N] . . 1 $TMEM14A . . 0.2 . . mM . . . . 18220 1 2 MES-Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18220 1 3 LMPG 'natural abundance' . . . . . . 2 . . % . . . . 18220 1 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18220 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18220 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18220 1 stop_ save_ save_sample_ND _Sample.Sf_category sample _Sample.Sf_framecode sample_ND _Sample.Entry_ID 18220 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'U-15N-2H-labeled protein' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TMEM14A '[U-15N; U-2H]' . . 1 $TMEM14A . . 0.2 . . mM . . . . 18220 2 2 MES-Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18220 2 3 LMPG 'natural abundance' . . . . . . 2 . . % . . . . 18220 2 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18220 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18220 2 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18220 2 stop_ save_ save_sample_NC _Sample.Sf_category sample _Sample.Sf_framecode sample_NC _Sample.Entry_ID 18220 _Sample.ID 3 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'U-15N-13C-labeled protein' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TMEM14A '[U-15N; U-13C]' . . 1 $TMEM14A . . 0.2 . . mM . . . . 18220 3 2 MES-Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18220 3 3 LMPG 'natural abundance' . . . . . . 2 . . % . . . . 18220 3 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18220 3 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18220 3 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18220 3 stop_ save_ save_samples_SL _Sample.Sf_category sample _Sample.Sf_framecode samples_SL _Sample.Entry_ID 18220 _Sample.ID 4 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'U-15N-labeled single-cysteine mutants with paramagnetic spin-label (MTSL)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TMEM14A [U-15N] . . 1 $TMEM14A . . 0.2 . . mM . . . . 18220 4 2 MES-Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18220 4 3 LMPG 'natural abundance' . . . . . . 2 . . % . . . . 18220 4 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18220 4 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18220 4 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18220 4 stop_ save_ save_samples_DL _Sample.Sf_category sample _Sample.Sf_framecode samples_DL _Sample.Entry_ID 18220 _Sample.ID 5 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'U-15N-labeled single-cysteine mutants with diamagnetic analog of MTSL' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TMEM14A [U-15N] . . 1 $TMEM14A . . 0.2 . . mM . . . . 18220 5 2 MES-Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18220 5 3 LMPG 'natural abundance' . . . . . . 2 . . % . . . . 18220 5 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18220 5 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18220 5 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18220 5 stop_ save_ save_sample_CS _Sample.Sf_category sample _Sample.Sf_framecode sample_CS _Sample.Entry_ID 18220 _Sample.ID 6 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'U-15N-labeled cysteine-free mutant protein' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TMEM14A [U-15N] . . 1 $TMEM14A . . 0.2 . . mM . . . . 18220 6 2 MES-Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18220 6 3 LMPG 'natural abundance' . . . . . . 2 . . % . . . . 18220 6 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18220 6 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18220 6 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18220 6 stop_ save_ save_sample_NCD _Sample.Sf_category sample _Sample.Sf_framecode sample_NCD _Sample.Entry_ID 18220 _Sample.ID 7 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'U-15N-13C-2H-labeled protein' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TMEM14A '[U-15N; U-13C; U-2H]' . . 1 $TMEM14A . . 0.2 . . mM . . . . 18220 7 2 MES-Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18220 7 3 LMPG 'natural abundance' . . . . . . 2 . . % . . . . 18220 7 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18220 7 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18220 7 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18220 7 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 18220 _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' 40 20 mM 18220 1 pH 6.0 . pH 18220 1 pressure 1 . atm 18220 1 temperature 310 . K 18220 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18220 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18220 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18220 1 processing 18220 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18220 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18220 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18220 2 'data analysis' 18220 2 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 18220 _Software.ID 3 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 18220 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18220 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18220 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18220 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18220 4 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 18220 _Software.ID 5 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 18220 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure analysis' 18220 5 'structure visualization' 18220 5 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 18220 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 18220 _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 DRX . 700 . . . 18220 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 18220 _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 . . . . . . . . . . 6 $sample_CS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18220 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $samples_SL isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18220 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $samples_DL isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18220 1 4 '3D HNCO' no . . . . . . . . . . 7 $sample_NCD isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18220 1 5 '3D HNCACB' no . . . . . . . . . . 7 $sample_NCD isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18220 1 6 '3D 13C-15N HSQC-NOESY-HSQC' no . . . . . . . . . . 3 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18220 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_ND isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18220 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 18220 _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 4.703 internal indirect 0.25144953 . . . . . . . . . 18220 1 H 1 water protons . . . . ppm 4.703 internal direct 1.0 . . . . . . . . . 18220 1 N 15 water protons . . . . ppm 4.703 internal indirect 0.101329118 . . . . . . . . . 18220 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 18220 _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 4 '3D HNCO' . . . 18220 1 5 '3D HNCACB' . . . 18220 1 6 '3D 13C-15N HSQC-NOESY-HSQC' . . . 18220 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 10 10 MET H H 1 8.261 0.01 . 1 . . . A 1 MET H . 18220 1 2 . 1 1 10 10 MET CA C 13 57.243 0.1 . 1 . . . A 1 MET CA . 18220 1 3 . 1 1 10 10 MET CB C 13 31.802 0.1 . 1 . . . A 1 MET CB . 18220 1 4 . 1 1 10 10 MET N N 15 118.991 0.1 . 1 . . . A 1 MET N . 18220 1 5 . 1 1 11 11 ASP H H 1 7.863 0.01 . 1 . . . A 2 ASP H . 18220 1 6 . 1 1 11 11 ASP CA C 13 55.918 0.1 . 1 . . . A 2 ASP CA . 18220 1 7 . 1 1 11 11 ASP CB C 13 37.959 0.1 . 1 . . . A 2 ASP CB . 18220 1 8 . 1 1 11 11 ASP N N 15 120.536 0.1 . 1 . . . A 2 ASP N . 18220 1 9 . 1 1 12 12 LEU H H 1 8.285 0.01 . 1 . . . A 3 LEU H . 18220 1 10 . 1 1 12 12 LEU C C 13 176.162 0.1 . 1 . . . A 3 LEU C . 18220 1 11 . 1 1 12 12 LEU CA C 13 57.6 0.1 . 1 . . . A 3 LEU CA . 18220 1 12 . 1 1 12 12 LEU CB C 13 41.657 0.1 . 1 . . . A 3 LEU CB . 18220 1 13 . 1 1 12 12 LEU N N 15 121.414 0.1 . 1 . . . A 3 LEU N . 18220 1 14 . 1 1 13 13 ILE H H 1 8.031 0.01 . 1 . . . A 4 ILE H . 18220 1 15 . 1 1 13 13 ILE HA H 1 3.74 0.01 . 1 . . . A 4 ILE HA . 18220 1 16 . 1 1 13 13 ILE C C 13 175.228 0.1 . 1 . . . A 4 ILE C . 18220 1 17 . 1 1 13 13 ILE CA C 13 64.5 0.1 . 1 . . . A 4 ILE CA . 18220 1 18 . 1 1 13 13 ILE CB C 13 37.102 0.1 . 1 . . . A 4 ILE CB . 18220 1 19 . 1 1 13 13 ILE CG1 C 13 28.762 0.1 . 1 . . . A 4 ILE CG1 . 18220 1 20 . 1 1 13 13 ILE CG2 C 13 17.265 0.1 . 1 . . . A 4 ILE CG2 . 18220 1 21 . 1 1 13 13 ILE CD1 C 13 12.667 0.1 . 1 . . . A 4 ILE CD1 . 18220 1 22 . 1 1 13 13 ILE N N 15 118.854 0.1 . 1 . . . A 4 ILE N . 18220 1 23 . 1 1 14 14 GLY H H 1 8.148 0.01 . 1 . . . A 5 GLY H . 18220 1 24 . 1 1 14 14 GLY HA2 H 1 2.98 0.01 . 2 . . . A 5 GLY HA2 . 18220 1 25 . 1 1 14 14 GLY HA3 H 1 3.92 0.01 . 2 . . . A 5 GLY HA3 . 18220 1 26 . 1 1 14 14 GLY C C 13 174.424 0.1 . 1 . . . A 5 GLY C . 18220 1 27 . 1 1 14 14 GLY CA C 13 47.059 0.1 . 1 . . . A 5 GLY CA . 18220 1 28 . 1 1 14 14 GLY N N 15 107.478 0.1 . 1 . . . A 5 GLY N . 18220 1 29 . 1 1 15 15 PHE H H 1 8.194 0.01 . 1 . . . A 6 PHE H . 18220 1 30 . 1 1 15 15 PHE HA H 1 4.48 0.01 . 1 . . . A 6 PHE HA . 18220 1 31 . 1 1 15 15 PHE HB2 H 1 3.23 0.01 . 2 . . . A 6 PHE HB2 . 18220 1 32 . 1 1 15 15 PHE HB3 H 1 3.23 0.01 . 2 . . . A 6 PHE HB3 . 18220 1 33 . 1 1 15 15 PHE C C 13 175.113 0.1 . 1 . . . A 6 PHE C . 18220 1 34 . 1 1 15 15 PHE CA C 13 60.017 0.1 . 1 . . . A 6 PHE CA . 18220 1 35 . 1 1 15 15 PHE CB C 13 38.774 0.1 . 1 . . . A 6 PHE CB . 18220 1 36 . 1 1 15 15 PHE N N 15 122.774 0.1 . 1 . . . A 6 PHE N . 18220 1 37 . 1 1 16 16 GLY H H 1 8.697 0.01 . 1 . . . A 7 GLY H . 18220 1 38 . 1 1 16 16 GLY HA2 H 1 3.65 0.01 . 2 . . . A 7 GLY HA2 . 18220 1 39 . 1 1 16 16 GLY HA3 H 1 3.71 0.01 . 2 . . . A 7 GLY HA3 . 18220 1 40 . 1 1 16 16 GLY C C 13 171.838 0.1 . 1 . . . A 7 GLY C . 18220 1 41 . 1 1 16 16 GLY CA C 13 47.1 0.1 . 1 . . . A 7 GLY CA . 18220 1 42 . 1 1 16 16 GLY N N 15 107.938 0.1 . 1 . . . A 7 GLY N . 18220 1 43 . 1 1 17 17 TYR H H 1 8.71 0.01 . 1 . . . A 8 TYR H . 18220 1 44 . 1 1 17 17 TYR HA H 1 4.15 0.01 . 1 . . . A 8 TYR HA . 18220 1 45 . 1 1 17 17 TYR HB2 H 1 3.119 0.01 . 2 . . . A 8 TYR HB2 . 18220 1 46 . 1 1 17 17 TYR HB3 H 1 3.119 0.01 . 2 . . . A 8 TYR HB3 . 18220 1 47 . 1 1 17 17 TYR C C 13 174.18 0.1 . 1 . . . A 8 TYR C . 18220 1 48 . 1 1 17 17 TYR CA C 13 61.3 0.1 . 1 . . . A 8 TYR CA . 18220 1 49 . 1 1 17 17 TYR CB C 13 37.959 0.1 . 1 . . . A 8 TYR CB . 18220 1 50 . 1 1 17 17 TYR N N 15 121.785 0.1 . 1 . . . A 8 TYR N . 18220 1 51 . 1 1 18 18 ALA H H 1 7.843 0.01 . 1 . . . A 9 ALA H . 18220 1 52 . 1 1 18 18 ALA HA H 1 3.95 0.01 . 1 . . . A 9 ALA HA . 18220 1 53 . 1 1 18 18 ALA HB1 H 1 1.487 0.01 . 1 . . . A 9 ALA HB1 . 18220 1 54 . 1 1 18 18 ALA HB2 H 1 1.487 0.01 . 1 . . . A 9 ALA HB2 . 18220 1 55 . 1 1 18 18 ALA HB3 H 1 1.487 0.01 . 1 . . . A 9 ALA HB3 . 18220 1 56 . 1 1 18 18 ALA C C 13 178.059 0.1 . 1 . . . A 9 ALA C . 18220 1 57 . 1 1 18 18 ALA CA C 13 54.872 0.1 . 1 . . . A 9 ALA CA . 18220 1 58 . 1 1 18 18 ALA CB C 13 17.562 0.1 . 1 . . . A 9 ALA CB . 18220 1 59 . 1 1 18 18 ALA N N 15 120.233 0.1 . 1 . . . A 9 ALA N . 18220 1 60 . 1 1 19 19 ALA H H 1 8.212 0.01 . 1 . . . A 10 ALA H . 18220 1 61 . 1 1 19 19 ALA HA H 1 3.95 0.01 . 1 . . . A 10 ALA HA . 18220 1 62 . 1 1 19 19 ALA HB1 H 1 1.385 0.01 . 1 . . . A 10 ALA HB1 . 18220 1 63 . 1 1 19 19 ALA HB2 H 1 1.385 0.01 . 1 . . . A 10 ALA HB2 . 18220 1 64 . 1 1 19 19 ALA HB3 H 1 1.385 0.01 . 1 . . . A 10 ALA HB3 . 18220 1 65 . 1 1 19 19 ALA C C 13 176.191 0.1 . 1 . . . A 10 ALA C . 18220 1 66 . 1 1 19 19 ALA CA C 13 54.6 0.1 . 1 . . . A 10 ALA CA . 18220 1 67 . 1 1 19 19 ALA CB C 13 17.562 0.1 . 1 . . . A 10 ALA CB . 18220 1 68 . 1 1 19 19 ALA N N 15 121.797 0.1 . 1 . . . A 10 ALA N . 18220 1 69 . 1 1 20 20 LEU H H 1 8.065 0.01 . 1 . . . A 11 LEU H . 18220 1 70 . 1 1 20 20 LEU HA H 1 3.937 0.01 . 1 . . . A 11 LEU HA . 18220 1 71 . 1 1 20 20 LEU HB2 H 1 1.809 0.01 . 2 . . . A 11 LEU HB2 . 18220 1 72 . 1 1 20 20 LEU HB3 H 1 1.809 0.01 . 2 . . . A 11 LEU HB3 . 18220 1 73 . 1 1 20 20 LEU C C 13 176.694 0.1 . 1 . . . A 11 LEU C . 18220 1 74 . 1 1 20 20 LEU CA C 13 57.8 0.1 . 1 . . . A 11 LEU CA . 18220 1 75 . 1 1 20 20 LEU CB C 13 41.222 0.1 . 1 . . . A 11 LEU CB . 18220 1 76 . 1 1 20 20 LEU CG C 13 26.685 0.1 . 1 . . . A 11 LEU CG . 18220 1 77 . 1 1 20 20 LEU CD1 C 13 24.534 0.1 . 2 . . . A 11 LEU CD1 . 18220 1 78 . 1 1 20 20 LEU CD2 C 13 24.237 0.1 . 2 . . . A 11 LEU CD2 . 18220 1 79 . 1 1 20 20 LEU N N 15 119.442 0.1 . 1 . . . A 11 LEU N . 18220 1 80 . 1 1 21 21 VAL H H 1 8.051 0.01 . 1 . . . A 12 VAL H . 18220 1 81 . 1 1 21 21 VAL HA H 1 3.64 0.01 . 1 . . . A 12 VAL HA . 18220 1 82 . 1 1 21 21 VAL HB H 1 1.969 0.01 . 1 . . . A 12 VAL HB . 18220 1 83 . 1 1 21 21 VAL HG11 H 1 0.709 0.01 . 2 . . . A 12 VAL HG11 . 18220 1 84 . 1 1 21 21 VAL HG12 H 1 0.709 0.01 . 2 . . . A 12 VAL HG12 . 18220 1 85 . 1 1 21 21 VAL HG13 H 1 0.709 0.01 . 2 . . . A 12 VAL HG13 . 18220 1 86 . 1 1 21 21 VAL HG21 H 1 0.709 0.01 . 2 . . . A 12 VAL HG21 . 18220 1 87 . 1 1 21 21 VAL HG22 H 1 0.709 0.01 . 2 . . . A 12 VAL HG22 . 18220 1 88 . 1 1 21 21 VAL HG23 H 1 0.709 0.01 . 2 . . . A 12 VAL HG23 . 18220 1 89 . 1 1 21 21 VAL C C 13 176.536 0.1 . 1 . . . A 12 VAL C . 18220 1 90 . 1 1 21 21 VAL CA C 13 65.4 0.1 . 1 . . . A 12 VAL CA . 18220 1 91 . 1 1 21 21 VAL CB C 13 31.135 0.1 . 1 . . . A 12 VAL CB . 18220 1 92 . 1 1 21 21 VAL CG1 C 13 21.27 0.1 . 2 . . . A 12 VAL CG1 . 18220 1 93 . 1 1 21 21 VAL CG2 C 13 21.27 0.1 . 2 . . . A 12 VAL CG2 . 18220 1 94 . 1 1 21 21 VAL N N 15 118.323 0.1 . 1 . . . A 12 VAL N . 18220 1 95 . 1 1 22 22 THR H H 1 7.944 0.01 . 1 . . . A 13 THR H . 18220 1 96 . 1 1 22 22 THR HA H 1 4.66 0.01 . 1 . . . A 13 THR HA . 18220 1 97 . 1 1 22 22 THR HG21 H 1 0.845 0.01 . 1 . . . A 13 THR HG21 . 18220 1 98 . 1 1 22 22 THR HG22 H 1 0.845 0.01 . 1 . . . A 13 THR HG22 . 18220 1 99 . 1 1 22 22 THR HG23 H 1 0.845 0.01 . 1 . . . A 13 THR HG23 . 18220 1 100 . 1 1 22 22 THR C C 13 173.734 0.1 . 1 . . . A 13 THR C . 18220 1 101 . 1 1 22 22 THR CA C 13 66.3 0.1 . 1 . . . A 13 THR CA . 18220 1 102 . 1 1 22 22 THR CB C 13 67.775 0.1 . 1 . . . A 13 THR CB . 18220 1 103 . 1 1 22 22 THR CG2 C 13 21.345 0.1 . 1 . . . A 13 THR CG2 . 18220 1 104 . 1 1 22 22 THR N N 15 118.298 0.1 . 1 . . . A 13 THR N . 18220 1 105 . 1 1 23 23 PHE H H 1 8.567 0.01 . 1 . . . A 14 PHE H . 18220 1 106 . 1 1 23 23 PHE HA H 1 4.34 0.01 . 1 . . . A 14 PHE HA . 18220 1 107 . 1 1 23 23 PHE HB2 H 1 3.082 0.01 . 2 . . . A 14 PHE HB2 . 18220 1 108 . 1 1 23 23 PHE C C 13 174.783 0.1 . 1 . . . A 14 PHE C . 18220 1 109 . 1 1 23 23 PHE CA C 13 60.5 0.1 . 1 . . . A 14 PHE CA . 18220 1 110 . 1 1 23 23 PHE CB C 13 38.626 0.1 . 1 . . . A 14 PHE CB . 18220 1 111 . 1 1 23 23 PHE N N 15 121.328 0.1 . 1 . . . A 14 PHE N . 18220 1 112 . 1 1 24 24 GLY H H 1 8.475 0.01 . 1 . . . A 15 GLY H . 18220 1 113 . 1 1 24 24 GLY HA2 H 1 3.62 0.01 . 2 . . . A 15 GLY HA2 . 18220 1 114 . 1 1 24 24 GLY HA3 H 1 3.72 0.01 . 2 . . . A 15 GLY HA3 . 18220 1 115 . 1 1 24 24 GLY C C 13 172.858 0.1 . 1 . . . A 15 GLY C . 18220 1 116 . 1 1 24 24 GLY CA C 13 46.9 0.1 . 1 . . . A 15 GLY CA . 18220 1 117 . 1 1 24 24 GLY N N 15 106.871 0.1 . 1 . . . A 15 GLY N . 18220 1 118 . 1 1 25 25 SER H H 1 7.963 0.01 . 1 . . . A 16 SER H . 18220 1 119 . 1 1 25 25 SER HA H 1 4.28 0.01 . 1 . . . A 16 SER HA . 18220 1 120 . 1 1 25 25 SER HB2 H 1 3.96 0.01 . 2 . . . A 16 SER HB2 . 18220 1 121 . 1 1 25 25 SER HB3 H 1 3.96 0.01 . 2 . . . A 16 SER HB3 . 18220 1 122 . 1 1 25 25 SER CA C 13 60.3 0.1 . 1 . . . A 16 SER CA . 18220 1 123 . 1 1 25 25 SER CB C 13 62.879 0.1 . 1 . . . A 16 SER CB . 18220 1 124 . 1 1 25 25 SER N N 15 116.214 0.1 . 1 . . . A 16 SER N . 18220 1 125 . 1 1 26 26 ILE H H 1 7.676 0.01 . 1 . . . A 17 ILE H . 18220 1 126 . 1 1 26 26 ILE HA H 1 3.946 0.01 . 1 . . . A 17 ILE HA . 18220 1 127 . 1 1 26 26 ILE HB H 1 1.623 0.01 . 1 . . . A 17 ILE HB . 18220 1 128 . 1 1 26 26 ILE C C 13 173.935 0.1 . 1 . . . A 17 ILE C . 18220 1 129 . 1 1 26 26 ILE CA C 13 63.1 0.1 . 1 . . . A 17 ILE CA . 18220 1 130 . 1 1 26 26 ILE CB C 13 38.107 0.1 . 1 . . . A 17 ILE CB . 18220 1 131 . 1 1 26 26 ILE CG1 C 13 27.222 0.1 . 1 . . . A 17 ILE CG1 . 18220 1 132 . 1 1 26 26 ILE CG2 C 13 16.445 0.1 . 1 . . . A 17 ILE CG2 . 18220 1 133 . 1 1 26 26 ILE CD1 C 13 13.301 0.1 . 1 . . . A 17 ILE CD1 . 18220 1 134 . 1 1 26 26 ILE N N 15 121.024 0.1 . 1 . . . A 17 ILE N . 18220 1 135 . 1 1 27 27 PHE H H 1 7.703 0.01 . 1 . . . A 18 PHE H . 18220 1 136 . 1 1 27 27 PHE HA H 1 4.43 0.01 . 1 . . . A 18 PHE HA . 18220 1 137 . 1 1 27 27 PHE HB2 H 1 2.662 0.01 . 2 . . . A 18 PHE HB2 . 18220 1 138 . 1 1 27 27 PHE HB3 H 1 2.662 0.01 . 2 . . . A 18 PHE HB3 . 18220 1 139 . 1 1 27 27 PHE HD1 H 1 7.124 0.01 . 3 . . . A 18 PHE HD1 . 18220 1 140 . 1 1 27 27 PHE HD2 H 1 7.124 0.01 . 3 . . . A 18 PHE HD2 . 18220 1 141 . 1 1 27 27 PHE C C 13 173.504 0.1 . 1 . . . A 18 PHE C . 18220 1 142 . 1 1 27 27 PHE CA C 13 58.5 0.1 . 1 . . . A 18 PHE CA . 18220 1 143 . 1 1 27 27 PHE CB C 13 38.774 0.1 . 1 . . . A 18 PHE CB . 18220 1 144 . 1 1 27 27 PHE N N 15 117.142 0.1 . 1 . . . A 18 PHE N . 18220 1 145 . 1 1 28 28 GLY H H 1 7.722 0.01 . 1 . . . A 19 GLY H . 18220 1 146 . 1 1 28 28 GLY HA2 H 1 3.87 0.01 . 2 . . . A 19 GLY HA2 . 18220 1 147 . 1 1 28 28 GLY HA3 H 1 3.94 0.01 . 2 . . . A 19 GLY HA3 . 18220 1 148 . 1 1 28 28 GLY C C 13 171.593 0.1 . 1 . . . A 19 GLY C . 18220 1 149 . 1 1 28 28 GLY CA C 13 45.6 0.1 . 1 . . . A 19 GLY CA . 18220 1 150 . 1 1 28 28 GLY N N 15 107.303 0.1 . 1 . . . A 19 GLY N . 18220 1 151 . 1 1 29 29 TYR H H 1 7.88 0.01 . 1 . . . A 20 TYR H . 18220 1 152 . 1 1 29 29 TYR HA H 1 4.392 0.01 . 1 . . . A 20 TYR HA . 18220 1 153 . 1 1 29 29 TYR HB2 H 1 2.946 0.01 . 2 . . . A 20 TYR HB2 . 18220 1 154 . 1 1 29 29 TYR HB3 H 1 2.946 0.01 . 2 . . . A 20 TYR HB3 . 18220 1 155 . 1 1 29 29 TYR HD1 H 1 7.038 0.01 . 3 . . . A 20 TYR HD1 . 18220 1 156 . 1 1 29 29 TYR HD2 H 1 7.038 0.01 . 3 . . . A 20 TYR HD2 . 18220 1 157 . 1 1 29 29 TYR C C 13 173.174 0.1 . 1 . . . A 20 TYR C . 18220 1 158 . 1 1 29 29 TYR CA C 13 58.5 0.1 . 1 . . . A 20 TYR CA . 18220 1 159 . 1 1 29 29 TYR CB C 13 38.404 0.1 . 1 . . . A 20 TYR CB . 18220 1 160 . 1 1 29 29 TYR N N 15 119.862 0.1 . 1 . . . A 20 TYR N . 18220 1 161 . 1 1 30 30 LYS H H 1 7.934 0.01 . 1 . . . A 21 LYS H . 18220 1 162 . 1 1 30 30 LYS HA H 1 4.39 0.01 . 1 . . . A 21 LYS HA . 18220 1 163 . 1 1 30 30 LYS HB2 H 1 1.623 0.01 . 2 . . . A 21 LYS HB2 . 18220 1 164 . 1 1 30 30 LYS HB3 H 1 1.623 0.01 . 2 . . . A 21 LYS HB3 . 18220 1 165 . 1 1 30 30 LYS C C 13 173.547 0.1 . 1 . . . A 21 LYS C . 18220 1 166 . 1 1 30 30 LYS CA C 13 55.8 0.1 . 1 . . . A 21 LYS CA . 18220 1 167 . 1 1 30 30 LYS CB C 13 32.396 0.1 . 1 . . . A 21 LYS CB . 18220 1 168 . 1 1 30 30 LYS CG C 13 24.386 0.1 . 1 . . . A 21 LYS CG . 18220 1 169 . 1 1 30 30 LYS N N 15 122.335 0.1 . 1 . . . A 21 LYS N . 18220 1 170 . 1 1 31 31 ARG H H 1 7.905 0.01 . 1 . . . A 22 ARG H . 18220 1 171 . 1 1 31 31 ARG C C 13 173.547 0.1 . 1 . . . A 22 ARG C . 18220 1 172 . 1 1 31 31 ARG CA C 13 55.834 0.1 . 1 . . . A 22 ARG CA . 18220 1 173 . 1 1 31 31 ARG CB C 13 30.101 0.1 . 1 . . . A 22 ARG CB . 18220 1 174 . 1 1 31 31 ARG CG C 13 26.645 0.1 . 1 . . . A 22 ARG CG . 18220 1 175 . 1 1 31 31 ARG CD C 13 42.953 0.1 . 1 . . . A 22 ARG CD . 18220 1 176 . 1 1 31 31 ARG N N 15 120.612 0.1 . 1 . . . A 22 ARG N . 18220 1 177 . 1 1 32 32 ARG H H 1 8.175 0.01 . 1 . . . A 23 ARG H . 18220 1 178 . 1 1 32 32 ARG HA H 1 4.31 0.01 . 1 . . . A 23 ARG HA . 18220 1 179 . 1 1 32 32 ARG C C 13 173.863 0.1 . 1 . . . A 23 ARG C . 18220 1 180 . 1 1 32 32 ARG CA C 13 55.8 0.1 . 1 . . . A 23 ARG CA . 18220 1 181 . 1 1 32 32 ARG CB C 13 30.245 0.1 . 1 . . . A 23 ARG CB . 18220 1 182 . 1 1 32 32 ARG CG C 13 26.759 0.1 . 1 . . . A 23 ARG CG . 18220 1 183 . 1 1 32 32 ARG CD C 13 42.953 0.1 . 1 . . . A 23 ARG CD . 18220 1 184 . 1 1 32 32 ARG N N 15 121.748 0.1 . 1 . . . A 23 ARG N . 18220 1 185 . 1 1 33 33 GLY H H 1 8.264 0.01 . 1 . . . A 24 GLY H . 18220 1 186 . 1 1 33 33 GLY HA2 H 1 3.92 0.01 . 2 . . . A 24 GLY HA2 . 18220 1 187 . 1 1 33 33 GLY HA3 H 1 4.02 0.01 . 2 . . . A 24 GLY HA3 . 18220 1 188 . 1 1 33 33 GLY C C 13 171.752 0.1 . 1 . . . A 24 GLY C . 18220 1 189 . 1 1 33 33 GLY CA C 13 44.9 0.1 . 1 . . . A 24 GLY CA . 18220 1 190 . 1 1 33 33 GLY N N 15 109.528 0.1 . 1 . . . A 24 GLY N . 18220 1 191 . 1 1 34 34 GLY H H 1 8.208 0.01 . 1 . . . A 25 GLY H . 18220 1 192 . 1 1 34 34 GLY HA2 H 1 3.9 0.01 . 2 . . . A 25 GLY HA2 . 18220 1 193 . 1 1 34 34 GLY HA3 H 1 4.09 0.01 . 2 . . . A 25 GLY HA3 . 18220 1 194 . 1 1 34 34 GLY C C 13 171.701 0.1 . 1 . . . A 25 GLY C . 18220 1 195 . 1 1 34 34 GLY CA C 13 44.6 0.1 . 1 . . . A 25 GLY CA . 18220 1 196 . 1 1 34 34 GLY N N 15 108.563 0.1 . 1 . . . A 25 GLY N . 18220 1 197 . 1 1 35 35 VAL H H 1 8.485 0.01 . 1 . . . A 26 VAL H . 18220 1 198 . 1 1 35 35 VAL HA H 1 4.01 0.01 . 1 . . . A 26 VAL HA . 18220 1 199 . 1 1 35 35 VAL HB H 1 2.156 0.01 . 1 . . . A 26 VAL HB . 18220 1 200 . 1 1 35 35 VAL HG11 H 1 0.975 0.01 . 2 . . . A 26 VAL HG11 . 18220 1 201 . 1 1 35 35 VAL HG12 H 1 0.975 0.01 . 2 . . . A 26 VAL HG12 . 18220 1 202 . 1 1 35 35 VAL HG13 H 1 0.975 0.01 . 2 . . . A 26 VAL HG13 . 18220 1 203 . 1 1 35 35 VAL HG21 H 1 0.975 0.01 . 2 . . . A 26 VAL HG21 . 18220 1 204 . 1 1 35 35 VAL HG22 H 1 0.975 0.01 . 2 . . . A 26 VAL HG22 . 18220 1 205 . 1 1 35 35 VAL HG23 H 1 0.975 0.01 . 2 . . . A 26 VAL HG23 . 18220 1 206 . 1 1 35 35 VAL C C 13 175.888 0.1 . 1 . . . A 26 VAL C . 18220 1 207 . 1 1 35 35 VAL CA C 13 63.9 0.1 . 1 . . . A 26 VAL CA . 18220 1 208 . 1 1 35 35 VAL CB C 13 30.69 0.1 . 1 . . . A 26 VAL CB . 18220 1 209 . 1 1 35 35 VAL CG1 C 13 21.79 0.1 . 2 . . . A 26 VAL CG1 . 18220 1 210 . 1 1 35 35 VAL CG2 C 13 22.457 0.1 . 2 . . . A 26 VAL CG2 . 18220 1 211 . 1 1 35 35 VAL N N 15 121.164 0.1 . 1 . . . A 26 VAL N . 18220 1 212 . 1 1 36 36 PRO C C 13 177.66 0.1 . 1 . . . A 27 PRO C . 18220 1 213 . 1 1 36 36 PRO CA C 13 61.847 0.1 . 1 . . . A 27 PRO CA . 18220 1 214 . 1 1 36 36 PRO CD C 13 49.757 0.1 . 1 . . . A 27 PRO CD . 18220 1 215 . 1 1 37 37 SER H H 1 7.948 0.01 . 1 . . . A 28 SER H . 18220 1 216 . 1 1 37 37 SER HA H 1 4.28 0.01 . 1 . . . A 28 SER HA . 18220 1 217 . 1 1 37 37 SER CA C 13 61.1 0.1 . 1 . . . A 28 SER CA . 18220 1 218 . 1 1 37 37 SER N N 15 116.023 0.1 . 1 . . . A 28 SER N . 18220 1 219 . 1 1 38 38 LEU H H 1 8.201 0.01 . 1 . . . A 29 LEU H . 18220 1 220 . 1 1 38 38 LEU HA H 1 4.17 0.01 . 1 . . . A 29 LEU HA . 18220 1 221 . 1 1 38 38 LEU C C 13 176.132 0.1 . 1 . . . A 29 LEU C . 18220 1 222 . 1 1 38 38 LEU CA C 13 57.5 0.1 . 1 . . . A 29 LEU CA . 18220 1 223 . 1 1 38 38 LEU CB C 13 42.038 0.1 . 1 . . . A 29 LEU CB . 18220 1 224 . 1 1 38 38 LEU CG C 13 26.907 0.1 . 1 . . . A 29 LEU CG . 18220 1 225 . 1 1 38 38 LEU N N 15 124.029 0.1 . 1 . . . A 29 LEU N . 18220 1 226 . 1 1 39 39 ILE H H 1 7.662 0.01 . 1 . . . A 30 ILE H . 18220 1 227 . 1 1 39 39 ILE HA H 1 4.37 0.01 . 1 . . . A 30 ILE HA . 18220 1 228 . 1 1 39 39 ILE C C 13 176.478 0.1 . 1 . . . A 30 ILE C . 18220 1 229 . 1 1 39 39 ILE CA C 13 63.079 0.1 . 1 . . . A 30 ILE CA . 18220 1 230 . 1 1 39 39 ILE CB C 13 36.973 0.1 . 1 . . . A 30 ILE CB . 18220 1 231 . 1 1 39 39 ILE CG1 C 13 28.056 0.1 . 1 . . . A 30 ILE CG1 . 18220 1 232 . 1 1 39 39 ILE CD1 C 13 13.109 0.1 . 1 . . . A 30 ILE CD1 . 18220 1 233 . 1 1 39 39 ILE N N 15 117.098 0.1 . 1 . . . A 30 ILE N . 18220 1 234 . 1 1 40 40 ALA H H 1 8.096 0.01 . 1 . . . A 31 ALA H . 18220 1 235 . 1 1 40 40 ALA HA H 1 4.034 0.01 . 1 . . . A 31 ALA HA . 18220 1 236 . 1 1 40 40 ALA HB1 H 1 1.45 0.01 . 1 . . . A 31 ALA HB1 . 18220 1 237 . 1 1 40 40 ALA HB2 H 1 1.45 0.01 . 1 . . . A 31 ALA HB2 . 18220 1 238 . 1 1 40 40 ALA HB3 H 1 1.45 0.01 . 1 . . . A 31 ALA HB3 . 18220 1 239 . 1 1 40 40 ALA C C 13 177.067 0.1 . 1 . . . A 31 ALA C . 18220 1 240 . 1 1 40 40 ALA CA C 13 55.962 0.1 . 1 . . . A 31 ALA CA . 18220 1 241 . 1 1 40 40 ALA CB C 13 17.856 0.1 . 1 . . . A 31 ALA CB . 18220 1 242 . 1 1 40 40 ALA N N 15 122.447 0.1 . 1 . . . A 31 ALA N . 18220 1 243 . 1 1 41 41 GLY H H 1 8.123 0.01 . 1 . . . A 32 GLY H . 18220 1 244 . 1 1 41 41 GLY HA2 H 1 3.87 0.01 . 2 . . . A 32 GLY HA2 . 18220 1 245 . 1 1 41 41 GLY HA3 H 1 3.95 0.01 . 2 . . . A 32 GLY HA3 . 18220 1 246 . 1 1 41 41 GLY C C 13 174.251 0.1 . 1 . . . A 32 GLY C . 18220 1 247 . 1 1 41 41 GLY CA C 13 46.5 0.1 . 1 . . . A 32 GLY CA . 18220 1 248 . 1 1 41 41 GLY N N 15 104.056 0.1 . 1 . . . A 32 GLY N . 18220 1 249 . 1 1 42 42 LEU H H 1 7.914 0.01 . 1 . . . A 33 LEU H . 18220 1 250 . 1 1 42 42 LEU HA H 1 3.857 0.01 . 1 . . . A 33 LEU HA . 18220 1 251 . 1 1 42 42 LEU HB2 H 1 1.511 0.01 . 2 . . . A 33 LEU HB2 . 18220 1 252 . 1 1 42 42 LEU HB3 H 1 1.835 0.01 . 2 . . . A 33 LEU HB3 . 18220 1 253 . 1 1 42 42 LEU HG H 1 1.195 0.01 . 1 . . . A 33 LEU HG . 18220 1 254 . 1 1 42 42 LEU HD11 H 1 0.824 0.01 . 2 . . . A 33 LEU HD11 . 18220 1 255 . 1 1 42 42 LEU HD12 H 1 0.824 0.01 . 2 . . . A 33 LEU HD12 . 18220 1 256 . 1 1 42 42 LEU HD13 H 1 0.824 0.01 . 2 . . . A 33 LEU HD13 . 18220 1 257 . 1 1 42 42 LEU HD21 H 1 0.824 0.01 . 2 . . . A 33 LEU HD21 . 18220 1 258 . 1 1 42 42 LEU HD22 H 1 0.824 0.01 . 2 . . . A 33 LEU HD22 . 18220 1 259 . 1 1 42 42 LEU HD23 H 1 0.824 0.01 . 2 . . . A 33 LEU HD23 . 18220 1 260 . 1 1 42 42 LEU C C 13 176.033 0.1 . 1 . . . A 33 LEU C . 18220 1 261 . 1 1 42 42 LEU CA C 13 56.668 0.1 . 1 . . . A 33 LEU CA . 18220 1 262 . 1 1 42 42 LEU CB C 13 41.721 0.1 . 1 . . . A 33 LEU CB . 18220 1 263 . 1 1 42 42 LEU CG C 13 26.324 0.1 . 1 . . . A 33 LEU CG . 18220 1 264 . 1 1 42 42 LEU CD1 C 13 24.832 0.1 . 2 . . . A 33 LEU CD1 . 18220 1 265 . 1 1 42 42 LEU CD2 C 13 23.373 0.1 . 2 . . . A 33 LEU CD2 . 18220 1 266 . 1 1 42 42 LEU N N 15 123.25 0.1 . 1 . . . A 33 LEU N . 18220 1 267 . 1 1 43 43 PHE H H 1 8.287 0.01 . 1 . . . A 34 PHE H . 18220 1 268 . 1 1 43 43 PHE HA H 1 4.2 0.01 . 1 . . . A 34 PHE HA . 18220 1 269 . 1 1 43 43 PHE HB2 H 1 3.109 0.01 . 2 . . . A 34 PHE HB2 . 18220 1 270 . 1 1 43 43 PHE HB3 H 1 3.262 0.01 . 2 . . . A 34 PHE HB3 . 18220 1 271 . 1 1 43 43 PHE C C 13 174.374 0.1 . 1 . . . A 34 PHE C . 18220 1 272 . 1 1 43 43 PHE CA C 13 59.876 0.1 . 1 . . . A 34 PHE CA . 18220 1 273 . 1 1 43 43 PHE CB C 13 38.834 0.1 . 1 . . . A 34 PHE CB . 18220 1 274 . 1 1 43 43 PHE N N 15 119.757 0.1 . 1 . . . A 34 PHE N . 18220 1 275 . 1 1 44 44 VAL H H 1 8.235 0.01 . 1 . . . A 35 VAL H . 18220 1 276 . 1 1 44 44 VAL HA H 1 3.61 0.01 . 1 . . . A 35 VAL HA . 18220 1 277 . 1 1 44 44 VAL HB H 1 2.17 0.01 . 1 . . . A 35 VAL HB . 18220 1 278 . 1 1 44 44 VAL HG11 H 1 0.998 0.01 . 2 . . . A 35 VAL HG11 . 18220 1 279 . 1 1 44 44 VAL HG12 H 1 0.998 0.01 . 2 . . . A 35 VAL HG12 . 18220 1 280 . 1 1 44 44 VAL HG13 H 1 0.998 0.01 . 2 . . . A 35 VAL HG13 . 18220 1 281 . 1 1 44 44 VAL HG21 H 1 1.161 0.01 . 2 . . . A 35 VAL HG21 . 18220 1 282 . 1 1 44 44 VAL HG22 H 1 1.161 0.01 . 2 . . . A 35 VAL HG22 . 18220 1 283 . 1 1 44 44 VAL HG23 H 1 1.161 0.01 . 2 . . . A 35 VAL HG23 . 18220 1 284 . 1 1 44 44 VAL C C 13 176.205 0.1 . 1 . . . A 35 VAL C . 18220 1 285 . 1 1 44 44 VAL CA C 13 64.559 0.1 . 1 . . . A 35 VAL CA . 18220 1 286 . 1 1 44 44 VAL CB C 13 31.432 0.1 . 1 . . . A 35 VAL CB . 18220 1 287 . 1 1 44 44 VAL CG1 C 13 21.196 0.1 . 2 . . . A 35 VAL CG1 . 18220 1 288 . 1 1 44 44 VAL CG2 C 13 22.16 0.1 . 2 . . . A 35 VAL CG2 . 18220 1 289 . 1 1 44 44 VAL N N 15 117.791 0.1 . 1 . . . A 35 VAL N . 18220 1 290 . 1 1 45 45 GLY H H 1 8.178 0.01 . 1 . . . A 36 GLY H . 18220 1 291 . 1 1 45 45 GLY HA2 H 1 3.871 0.01 . 2 . . . A 36 GLY HA2 . 18220 1 292 . 1 1 45 45 GLY HA3 H 1 3.958 0.01 . 2 . . . A 36 GLY HA3 . 18220 1 293 . 1 1 45 45 GLY C C 13 173.749 0.1 . 1 . . . A 36 GLY C . 18220 1 294 . 1 1 45 45 GLY CA C 13 46.083 0.1 . 1 . . . A 36 GLY CA . 18220 1 295 . 1 1 45 45 GLY N N 15 108.551 0.1 . 1 . . . A 36 GLY N . 18220 1 296 . 1 1 46 46 CYS H H 1 8.253 0.01 . 1 . . . A 37 CYS H . 18220 1 297 . 1 1 46 46 CYS HA H 1 4.18 0.01 . 1 . . . A 37 CYS HA . 18220 1 298 . 1 1 46 46 CYS HB2 H 1 3.055 0.01 . 2 . . . A 37 CYS HB2 . 18220 1 299 . 1 1 46 46 CYS HB3 H 1 3.055 0.01 . 2 . . . A 37 CYS HB3 . 18220 1 300 . 1 1 46 46 CYS C C 13 173.71 0.1 . 1 . . . A 37 CYS C . 18220 1 301 . 1 1 46 46 CYS CA C 13 63 0.1 . 1 . . . A 37 CYS CA . 18220 1 302 . 1 1 46 46 CYS CB C 13 26.72 0.1 . 1 . . . A 37 CYS CB . 18220 1 303 . 1 1 46 46 CYS N N 15 121.173 0.1 . 1 . . . A 37 CYS N . 18220 1 304 . 1 1 47 47 LEU H H 1 7.965 0.01 . 1 . . . A 38 LEU H . 18220 1 305 . 1 1 47 47 LEU HA H 1 4.06 0.01 . 1 . . . A 38 LEU HA . 18220 1 306 . 1 1 47 47 LEU C C 13 176.679 0.1 . 1 . . . A 38 LEU C . 18220 1 307 . 1 1 47 47 LEU CA C 13 56.027 0.1 . 1 . . . A 38 LEU CA . 18220 1 308 . 1 1 47 47 LEU CB C 13 41.464 0.1 . 1 . . . A 38 LEU CB . 18220 1 309 . 1 1 47 47 LEU CG C 13 26.645 0.1 . 1 . . . A 38 LEU CG . 18220 1 310 . 1 1 47 47 LEU N N 15 120.283 0.1 . 1 . . . A 38 LEU N . 18220 1 311 . 1 1 48 48 ALA H H 1 8.066 0.01 . 1 . . . A 39 ALA H . 18220 1 312 . 1 1 48 48 ALA HA H 1 4.142 0.01 . 1 . . . A 39 ALA HA . 18220 1 313 . 1 1 48 48 ALA HB1 H 1 1.421 0.01 . 1 . . . A 39 ALA HB1 . 18220 1 314 . 1 1 48 48 ALA HB2 H 1 1.421 0.01 . 1 . . . A 39 ALA HB2 . 18220 1 315 . 1 1 48 48 ALA HB3 H 1 1.421 0.01 . 1 . . . A 39 ALA HB3 . 18220 1 316 . 1 1 48 48 ALA C C 13 177.915 0.1 . 1 . . . A 39 ALA C . 18220 1 317 . 1 1 48 48 ALA CA C 13 53.717 0.1 . 1 . . . A 39 ALA CA . 18220 1 318 . 1 1 48 48 ALA CB C 13 17.985 0.1 . 1 . . . A 39 ALA CB . 18220 1 319 . 1 1 48 48 ALA N N 15 122.249 0.1 . 1 . . . A 39 ALA N . 18220 1 320 . 1 1 49 49 GLY H H 1 8.172 0.01 . 1 . . . A 40 GLY H . 18220 1 321 . 1 1 49 49 GLY HA2 H 1 3.73 0.01 . 2 . . . A 40 GLY HA2 . 18220 1 322 . 1 1 49 49 GLY HA3 H 1 3.92 0.01 . 2 . . . A 40 GLY HA3 . 18220 1 323 . 1 1 49 49 GLY C C 13 172.527 0.1 . 1 . . . A 40 GLY C . 18220 1 324 . 1 1 49 49 GLY CA C 13 45.45 0.1 . 1 . . . A 40 GLY CA . 18220 1 325 . 1 1 49 49 GLY N N 15 107.377 0.1 . 1 . . . A 40 GLY N . 18220 1 326 . 1 1 50 50 TYR H H 1 7.8 0.01 . 1 . . . A 41 TYR H . 18220 1 327 . 1 1 50 50 TYR HA H 1 3.799 0.01 . 1 . . . A 41 TYR HA . 18220 1 328 . 1 1 50 50 TYR HB2 H 1 3.018 0.01 . 2 . . . A 41 TYR HB2 . 18220 1 329 . 1 1 50 50 TYR HB3 H 1 3.018 0.01 . 2 . . . A 41 TYR HB3 . 18220 1 330 . 1 1 50 50 TYR HD1 H 1 7.025 0.01 . 3 . . . A 41 TYR HD1 . 18220 1 331 . 1 1 50 50 TYR HD2 H 1 7.025 0.01 . 3 . . . A 41 TYR HD2 . 18220 1 332 . 1 1 50 50 TYR C C 13 174.208 0.1 . 1 . . . A 41 TYR C . 18220 1 333 . 1 1 50 50 TYR CA C 13 59.245 0.1 . 1 . . . A 41 TYR CA . 18220 1 334 . 1 1 50 50 TYR CB C 13 37.936 0.1 . 1 . . . A 41 TYR CB . 18220 1 335 . 1 1 50 50 TYR N N 15 122.409 0.1 . 1 . . . A 41 TYR N . 18220 1 336 . 1 1 51 51 GLY H H 1 8.199 0.01 . 1 . . . A 42 GLY H . 18220 1 337 . 1 1 51 51 GLY HA2 H 1 3.64 0.01 . 2 . . . A 42 GLY HA2 . 18220 1 338 . 1 1 51 51 GLY HA3 H 1 3.86 0.01 . 2 . . . A 42 GLY HA3 . 18220 1 339 . 1 1 51 51 GLY C C 13 172.642 0.1 . 1 . . . A 42 GLY C . 18220 1 340 . 1 1 51 51 GLY CA C 13 46.265 0.1 . 1 . . . A 42 GLY CA . 18220 1 341 . 1 1 51 51 GLY N N 15 106.935 0.1 . 1 . . . A 42 GLY N . 18220 1 342 . 1 1 52 52 ALA H H 1 7.758 0.01 . 1 . . . A 43 ALA H . 18220 1 343 . 1 1 52 52 ALA HA H 1 4.15 0.01 . 1 . . . A 43 ALA HA . 18220 1 344 . 1 1 52 52 ALA HB1 H 1 1.327 0.01 . 1 . . . A 43 ALA HB1 . 18220 1 345 . 1 1 52 52 ALA HB2 H 1 1.327 0.01 . 1 . . . A 43 ALA HB2 . 18220 1 346 . 1 1 52 52 ALA HB3 H 1 1.327 0.01 . 1 . . . A 43 ALA HB3 . 18220 1 347 . 1 1 52 52 ALA C C 13 176.398 0.1 . 1 . . . A 43 ALA C . 18220 1 348 . 1 1 52 52 ALA CA C 13 52.883 0.1 . 1 . . . A 43 ALA CA . 18220 1 349 . 1 1 52 52 ALA CB C 13 18.241 0.1 . 1 . . . A 43 ALA CB . 18220 1 350 . 1 1 52 52 ALA N N 15 123.018 0.1 . 1 . . . A 43 ALA N . 18220 1 351 . 1 1 53 53 TYR H H 1 7.92 0.01 . 1 . . . A 44 TYR H . 18220 1 352 . 1 1 53 53 TYR HA H 1 4.318 0.01 . 1 . . . A 44 TYR HA . 18220 1 353 . 1 1 53 53 TYR HB2 H 1 3.008 0.01 . 2 . . . A 44 TYR HB2 . 18220 1 354 . 1 1 53 53 TYR HB3 H 1 3.008 0.01 . 2 . . . A 44 TYR HB3 . 18220 1 355 . 1 1 53 53 TYR HD1 H 1 6.988 0.01 . 3 . . . A 44 TYR HD1 . 18220 1 356 . 1 1 53 53 TYR HD2 H 1 6.988 0.01 . 3 . . . A 44 TYR HD2 . 18220 1 357 . 1 1 53 53 TYR C C 13 174.18 0.1 . 1 . . . A 44 TYR C . 18220 1 358 . 1 1 53 53 TYR CA C 13 58.593 0.1 . 1 . . . A 44 TYR CA . 18220 1 359 . 1 1 53 53 TYR CB C 13 38.192 0.1 . 1 . . . A 44 TYR CB . 18220 1 360 . 1 1 53 53 TYR N N 15 119.664 0.1 . 1 . . . A 44 TYR N . 18220 1 361 . 1 1 54 54 ARG H H 1 7.956 0.01 . 1 . . . A 45 ARG H . 18220 1 362 . 1 1 54 54 ARG HA H 1 3.93 0.01 . 1 . . . A 45 ARG HA . 18220 1 363 . 1 1 54 54 ARG HB2 H 1 1.685 0.01 . 2 . . . A 45 ARG HB2 . 18220 1 364 . 1 1 54 54 ARG HB3 H 1 1.685 0.01 . 2 . . . A 45 ARG HB3 . 18220 1 365 . 1 1 54 54 ARG C C 13 174.423 0.1 . 1 . . . A 45 ARG C . 18220 1 366 . 1 1 54 54 ARG CA C 13 56.027 0.1 . 1 . . . A 45 ARG CA . 18220 1 367 . 1 1 54 54 ARG CB C 13 30.173 0.1 . 1 . . . A 45 ARG CB . 18220 1 368 . 1 1 54 54 ARG CG C 13 26.536 0.1 . 1 . . . A 45 ARG CG . 18220 1 369 . 1 1 54 54 ARG N N 15 119.516 0.1 . 1 . . . A 45 ARG N . 18220 1 370 . 1 1 55 55 VAL H H 1 7.489 0.01 . 1 . . . A 46 VAL H . 18220 1 371 . 1 1 55 55 VAL HA H 1 4.06 0.01 . 1 . . . A 46 VAL HA . 18220 1 372 . 1 1 55 55 VAL HB H 1 2.09 0.01 . 1 . . . A 46 VAL HB . 18220 1 373 . 1 1 55 55 VAL HG11 H 1 0.886 0.01 . 2 . . . A 46 VAL HG11 . 18220 1 374 . 1 1 55 55 VAL HG12 H 1 0.886 0.01 . 2 . . . A 46 VAL HG12 . 18220 1 375 . 1 1 55 55 VAL HG13 H 1 0.886 0.01 . 2 . . . A 46 VAL HG13 . 18220 1 376 . 1 1 55 55 VAL HG21 H 1 0.886 0.01 . 2 . . . A 46 VAL HG21 . 18220 1 377 . 1 1 55 55 VAL HG22 H 1 0.886 0.01 . 2 . . . A 46 VAL HG22 . 18220 1 378 . 1 1 55 55 VAL HG23 H 1 0.886 0.01 . 2 . . . A 46 VAL HG23 . 18220 1 379 . 1 1 55 55 VAL C C 13 173.806 0.1 . 1 . . . A 46 VAL C . 18220 1 380 . 1 1 55 55 VAL CA C 13 62.3 0.1 . 1 . . . A 46 VAL CA . 18220 1 381 . 1 1 55 55 VAL CB C 13 31.521 0.1 . 1 . . . A 46 VAL CB . 18220 1 382 . 1 1 55 55 VAL CG1 C 13 19.973 0.1 . 2 . . . A 46 VAL CG1 . 18220 1 383 . 1 1 55 55 VAL CG2 C 13 20.64 0.1 . 2 . . . A 46 VAL CG2 . 18220 1 384 . 1 1 55 55 VAL N N 15 116.437 0.1 . 1 . . . A 46 VAL N . 18220 1 385 . 1 1 56 56 SER H H 1 7.728 0.01 . 1 . . . A 47 SER H . 18220 1 386 . 1 1 56 56 SER HA H 1 4.401 0.01 . 1 . . . A 47 SER HA . 18220 1 387 . 1 1 56 56 SER HB2 H 1 3.848 0.01 . 2 . . . A 47 SER HB2 . 18220 1 388 . 1 1 56 56 SER HB3 H 1 3.848 0.01 . 2 . . . A 47 SER HB3 . 18220 1 389 . 1 1 56 56 SER C C 13 172.074 0.1 . 1 . . . A 47 SER C . 18220 1 390 . 1 1 56 56 SER CA C 13 58.133 0.1 . 1 . . . A 47 SER CA . 18220 1 391 . 1 1 56 56 SER CB C 13 63.468 0.1 . 1 . . . A 47 SER CB . 18220 1 392 . 1 1 56 56 SER N N 15 117.185 0.1 . 1 . . . A 47 SER N . 18220 1 393 . 1 1 57 57 ASN H H 1 8.228 0.01 . 1 . . . A 48 ASN H . 18220 1 394 . 1 1 57 57 ASN HA H 1 4.59 0.01 . 1 . . . A 48 ASN HA . 18220 1 395 . 1 1 57 57 ASN HB2 H 1 2.662 0.01 . 2 . . . A 48 ASN HB2 . 18220 1 396 . 1 1 57 57 ASN HB3 H 1 2.662 0.01 . 2 . . . A 48 ASN HB3 . 18220 1 397 . 1 1 57 57 ASN HD21 H 1 7.414 0.01 . 2 . . . A 48 ASN HD21 . 18220 1 398 . 1 1 57 57 ASN HD22 H 1 6.745 0.01 . 2 . . . A 48 ASN HD22 . 18220 1 399 . 1 1 57 57 ASN CA C 13 53.6 0.1 . 1 . . . A 48 ASN CA . 18220 1 400 . 1 1 57 57 ASN CB C 13 38.641 0.1 . 1 . . . A 48 ASN CB . 18220 1 401 . 1 1 57 57 ASN N N 15 121.049 0.1 . 1 . . . A 48 ASN N . 18220 1 402 . 1 1 57 57 ASN ND2 N 15 113.237 0.1 . 1 . . . A 48 ASN ND2 . 18220 1 403 . 1 1 58 58 ASP H H 1 8.192 0.01 . 1 . . . A 49 ASP H . 18220 1 404 . 1 1 58 58 ASP HA H 1 4.53 0.01 . 1 . . . A 49 ASP HA . 18220 1 405 . 1 1 58 58 ASP HB2 H 1 2.608 0.01 . 2 . . . A 49 ASP HB2 . 18220 1 406 . 1 1 58 58 ASP HB3 H 1 2.608 0.01 . 2 . . . A 49 ASP HB3 . 18220 1 407 . 1 1 58 58 ASP CA C 13 54.202 0.1 . 1 . . . A 49 ASP CA . 18220 1 408 . 1 1 58 58 ASP CB C 13 40.374 0.1 . 1 . . . A 49 ASP CB . 18220 1 409 . 1 1 58 58 ASP N N 15 120.276 0.1 . 1 . . . A 49 ASP N . 18220 1 410 . 1 1 59 59 LYS H H 1 8.003 0.01 . 1 . . . A 50 LYS H . 18220 1 411 . 1 1 59 59 LYS HA H 1 4.2 0.01 . 1 . . . A 50 LYS HA . 18220 1 412 . 1 1 59 59 LYS HB2 H 1 1.772 0.01 . 2 . . . A 50 LYS HB2 . 18220 1 413 . 1 1 59 59 LYS HB3 H 1 1.772 0.01 . 2 . . . A 50 LYS HB3 . 18220 1 414 . 1 1 59 59 LYS HG2 H 1 1.358 0.01 . 2 . . . A 50 LYS HG2 . 18220 1 415 . 1 1 59 59 LYS HG3 H 1 1.358 0.01 . 2 . . . A 50 LYS HG3 . 18220 1 416 . 1 1 59 59 LYS C C 13 173.474 0.1 . 1 . . . A 50 LYS C . 18220 1 417 . 1 1 59 59 LYS CA C 13 56.3 0.1 . 1 . . . A 50 LYS CA . 18220 1 418 . 1 1 59 59 LYS CB C 13 32.034 0.1 . 1 . . . A 50 LYS CB . 18220 1 419 . 1 1 59 59 LYS CG C 13 24.336 0.1 . 1 . . . A 50 LYS CG . 18220 1 420 . 1 1 59 59 LYS CD C 13 28.505 0.1 . 1 . . . A 50 LYS CD . 18220 1 421 . 1 1 59 59 LYS N N 15 120.66 0.1 . 1 . . . A 50 LYS N . 18220 1 422 . 1 1 60 60 ARG H H 1 8.091 0.01 . 1 . . . A 51 ARG H . 18220 1 423 . 1 1 60 60 ARG HA H 1 4.2 0.01 . 1 . . . A 51 ARG HA . 18220 1 424 . 1 1 60 60 ARG HB2 H 1 1.769 0.01 . 2 . . . A 51 ARG HB2 . 18220 1 425 . 1 1 60 60 ARG HB3 H 1 1.769 0.01 . 2 . . . A 51 ARG HB3 . 18220 1 426 . 1 1 60 60 ARG C C 13 173.303 0.1 . 1 . . . A 51 ARG C . 18220 1 427 . 1 1 60 60 ARG CA C 13 56.283 0.1 . 1 . . . A 51 ARG CA . 18220 1 428 . 1 1 60 60 ARG CB C 13 30.238 0.1 . 1 . . . A 51 ARG CB . 18220 1 429 . 1 1 60 60 ARG CG C 13 26.709 0.1 . 1 . . . A 51 ARG CG . 18220 1 430 . 1 1 60 60 ARG CD C 13 43.453 0.1 . 1 . . . A 51 ARG CD . 18220 1 431 . 1 1 60 60 ARG N N 15 121.278 0.1 . 1 . . . A 51 ARG N . 18220 1 432 . 1 1 61 61 ASP H H 1 8.261 0.01 . 1 . . . A 52 ASP H . 18220 1 433 . 1 1 61 61 ASP HA H 1 4.615 0.01 . 1 . . . A 52 ASP HA . 18220 1 434 . 1 1 61 61 ASP HB2 H 1 2.674 0.01 . 2 . . . A 52 ASP HB2 . 18220 1 435 . 1 1 61 61 ASP HB3 H 1 2.674 0.01 . 2 . . . A 52 ASP HB3 . 18220 1 436 . 1 1 61 61 ASP C C 13 173.777 0.1 . 1 . . . A 52 ASP C . 18220 1 437 . 1 1 61 61 ASP CA C 13 53.979 0.1 . 1 . . . A 52 ASP CA . 18220 1 438 . 1 1 61 61 ASP CB C 13 40.245 0.1 . 1 . . . A 52 ASP CB . 18220 1 439 . 1 1 61 61 ASP N N 15 121.185 0.1 . 1 . . . A 52 ASP N . 18220 1 440 . 1 1 62 62 VAL H H 1 7.997 0.01 . 1 . . . A 53 VAL H . 18220 1 441 . 1 1 62 62 VAL HA H 1 3.95 0.01 . 1 . . . A 53 VAL HA . 18220 1 442 . 1 1 62 62 VAL HB H 1 1.796 0.01 . 1 . . . A 53 VAL HB . 18220 1 443 . 1 1 62 62 VAL HG11 H 1 0.921 0.01 . 2 . . . A 53 VAL HG11 . 18220 1 444 . 1 1 62 62 VAL HG12 H 1 0.921 0.01 . 2 . . . A 53 VAL HG12 . 18220 1 445 . 1 1 62 62 VAL HG13 H 1 0.921 0.01 . 2 . . . A 53 VAL HG13 . 18220 1 446 . 1 1 62 62 VAL HG21 H 1 0.921 0.01 . 2 . . . A 53 VAL HG21 . 18220 1 447 . 1 1 62 62 VAL HG22 H 1 0.921 0.01 . 2 . . . A 53 VAL HG22 . 18220 1 448 . 1 1 62 62 VAL HG23 H 1 0.921 0.01 . 2 . . . A 53 VAL HG23 . 18220 1 449 . 1 1 62 62 VAL C C 13 173.279 0.1 . 1 . . . A 53 VAL C . 18220 1 450 . 1 1 62 62 VAL CA C 13 63.176 0.1 . 1 . . . A 53 VAL CA . 18220 1 451 . 1 1 62 62 VAL CB C 13 32.099 0.1 . 1 . . . A 53 VAL CB . 18220 1 452 . 1 1 62 62 VAL CG1 C 13 20.794 0.1 . 2 . . . A 53 VAL CG1 . 18220 1 453 . 1 1 62 62 VAL CG2 C 13 21.11 0.1 . 2 . . . A 53 VAL CG2 . 18220 1 454 . 1 1 62 62 VAL N N 15 121.902 0.1 . 1 . . . A 53 VAL N . 18220 1 455 . 1 1 63 63 LYS H H 1 8.054 0.01 . 1 . . . A 54 LYS H . 18220 1 456 . 1 1 63 63 LYS HA H 1 4.26 0.01 . 1 . . . A 54 LYS HA . 18220 1 457 . 1 1 63 63 LYS HB2 H 1 1.846 0.01 . 2 . . . A 54 LYS HB2 . 18220 1 458 . 1 1 63 63 LYS HB3 H 1 1.846 0.01 . 2 . . . A 54 LYS HB3 . 18220 1 459 . 1 1 63 63 LYS HG2 H 1 1.457 0.01 . 2 . . . A 54 LYS HG2 . 18220 1 460 . 1 1 63 63 LYS HG3 H 1 1.457 0.01 . 2 . . . A 54 LYS HG3 . 18220 1 461 . 1 1 63 63 LYS C C 13 174.481 0.1 . 1 . . . A 54 LYS C . 18220 1 462 . 1 1 63 63 LYS CA C 13 56.347 0.1 . 1 . . . A 54 LYS CA . 18220 1 463 . 1 1 63 63 LYS CB C 13 32.099 0.1 . 1 . . . A 54 LYS CB . 18220 1 464 . 1 1 63 63 LYS CG C 13 24.756 0.1 . 1 . . . A 54 LYS CG . 18220 1 465 . 1 1 63 63 LYS CE C 13 41.444 0.1 . 1 . . . A 54 LYS CE . 18220 1 466 . 1 1 63 63 LYS N N 15 123.522 0.1 . 1 . . . A 54 LYS N . 18220 1 467 . 1 1 64 64 VAL H H 1 8.225 0.01 . 1 . . . A 55 VAL H . 18220 1 468 . 1 1 64 64 VAL HA H 1 3.947 0.01 . 1 . . . A 55 VAL HA . 18220 1 469 . 1 1 64 64 VAL HB H 1 2.081 0.01 . 1 . . . A 55 VAL HB . 18220 1 470 . 1 1 64 64 VAL HG11 H 1 0.93 0.01 . 2 . . . A 55 VAL HG11 . 18220 1 471 . 1 1 64 64 VAL HG12 H 1 0.93 0.01 . 2 . . . A 55 VAL HG12 . 18220 1 472 . 1 1 64 64 VAL HG13 H 1 0.93 0.01 . 2 . . . A 55 VAL HG13 . 18220 1 473 . 1 1 64 64 VAL HG21 H 1 0.93 0.01 . 2 . . . A 55 VAL HG21 . 18220 1 474 . 1 1 64 64 VAL HG22 H 1 0.93 0.01 . 2 . . . A 55 VAL HG22 . 18220 1 475 . 1 1 64 64 VAL HG23 H 1 0.93 0.01 . 2 . . . A 55 VAL HG23 . 18220 1 476 . 1 1 64 64 VAL C C 13 174.955 0.1 . 1 . . . A 55 VAL C . 18220 1 477 . 1 1 64 64 VAL CA C 13 64.6 0.1 . 1 . . . A 55 VAL CA . 18220 1 478 . 1 1 64 64 VAL CB C 13 31.877 0.1 . 1 . . . A 55 VAL CB . 18220 1 479 . 1 1 64 64 VAL CG1 C 13 21.27 0.1 . 2 . . . A 55 VAL CG1 . 18220 1 480 . 1 1 64 64 VAL CG2 C 13 21.938 0.1 . 2 . . . A 55 VAL CG2 . 18220 1 481 . 1 1 64 64 VAL N N 15 120.647 0.1 . 1 . . . A 55 VAL N . 18220 1 482 . 1 1 65 65 SER H H 1 8.26 0.01 . 1 . . . A 56 SER H . 18220 1 483 . 1 1 65 65 SER HA H 1 4.39 0.01 . 1 . . . A 56 SER HA . 18220 1 484 . 1 1 65 65 SER HB2 H 1 3.901 0.01 . 2 . . . A 56 SER HB2 . 18220 1 485 . 1 1 65 65 SER HB3 H 1 3.901 0.01 . 2 . . . A 56 SER HB3 . 18220 1 486 . 1 1 65 65 SER C C 13 172.3 0.1 . 1 . . . A 56 SER C . 18220 1 487 . 1 1 65 65 SER CA C 13 60 0.1 . 1 . . . A 56 SER CA . 18220 1 488 . 1 1 65 65 SER CB C 13 62.879 0.1 . 1 . . . A 56 SER CB . 18220 1 489 . 1 1 65 65 SER N N 15 117.785 0.1 . 1 . . . A 56 SER N . 18220 1 490 . 1 1 66 66 LEU H H 1 8.091 0.01 . 1 . . . A 57 LEU H . 18220 1 491 . 1 1 66 66 LEU HA H 1 4.09 0.01 . 1 . . . A 57 LEU HA . 18220 1 492 . 1 1 66 66 LEU C C 13 175.932 0.1 . 1 . . . A 57 LEU C . 18220 1 493 . 1 1 66 66 LEU CA C 13 57.502 0.1 . 1 . . . A 57 LEU CA . 18220 1 494 . 1 1 66 66 LEU CB C 13 41.721 0.1 . 1 . . . A 57 LEU CB . 18220 1 495 . 1 1 66 66 LEU CG C 13 26.581 0.1 . 1 . . . A 57 LEU CG . 18220 1 496 . 1 1 66 66 LEU CD1 C 13 24.592 0.1 . 2 . . . A 57 LEU CD1 . 18220 1 497 . 1 1 66 66 LEU N N 15 123.318 0.1 . 1 . . . A 57 LEU N . 18220 1 498 . 1 1 67 67 PHE H H 1 8.066 0.01 . 1 . . . A 58 PHE H . 18220 1 499 . 1 1 67 67 PHE HA H 1 4.33 0.01 . 1 . . . A 58 PHE HA . 18220 1 500 . 1 1 67 67 PHE HB2 H 1 3.184 0.01 . 2 . . . A 58 PHE HB2 . 18220 1 501 . 1 1 67 67 PHE HB3 H 1 3.184 0.01 . 2 . . . A 58 PHE HB3 . 18220 1 502 . 1 1 67 67 PHE C C 13 174.912 0.1 . 1 . . . A 58 PHE C . 18220 1 503 . 1 1 67 67 PHE CA C 13 60.6 0.1 . 1 . . . A 58 PHE CA . 18220 1 504 . 1 1 67 67 PHE CB C 13 38.552 0.1 . 1 . . . A 58 PHE CB . 18220 1 505 . 1 1 67 67 PHE N N 15 118.02 0.1 . 1 . . . A 58 PHE N . 18220 1 506 . 1 1 68 68 THR H H 1 8.287 0.01 . 1 . . . A 59 THR H . 18220 1 507 . 1 1 68 68 THR HA H 1 4.31 0.01 . 1 . . . A 59 THR HA . 18220 1 508 . 1 1 68 68 THR HB H 1 3.867 0.01 . 1 . . . A 59 THR HB . 18220 1 509 . 1 1 68 68 THR HG21 H 1 1.277 0.01 . 1 . . . A 59 THR HG21 . 18220 1 510 . 1 1 68 68 THR HG22 H 1 1.277 0.01 . 1 . . . A 59 THR HG22 . 18220 1 511 . 1 1 68 68 THR HG23 H 1 1.277 0.01 . 1 . . . A 59 THR HG23 . 18220 1 512 . 1 1 68 68 THR C C 13 173.38 0.1 . 1 . . . A 59 THR C . 18220 1 513 . 1 1 68 68 THR CA C 13 66.313 0.1 . 1 . . . A 59 THR CA . 18220 1 514 . 1 1 68 68 THR CB C 13 67.7 0.1 . 1 . . . A 59 THR CB . 18220 1 515 . 1 1 68 68 THR CG2 C 13 21.419 0.1 . 1 . . . A 59 THR CG2 . 18220 1 516 . 1 1 68 68 THR N N 15 115.324 0.1 . 1 . . . A 59 THR N . 18220 1 517 . 1 1 69 69 ALA H H 1 7.983 0.01 . 1 . . . A 60 ALA H . 18220 1 518 . 1 1 69 69 ALA HA H 1 4.28 0.01 . 1 . . . A 60 ALA HA . 18220 1 519 . 1 1 69 69 ALA HB1 H 1 1.472 0.01 . 1 . . . A 60 ALA HB1 . 18220 1 520 . 1 1 69 69 ALA HB2 H 1 1.472 0.01 . 1 . . . A 60 ALA HB2 . 18220 1 521 . 1 1 69 69 ALA HB3 H 1 1.472 0.01 . 1 . . . A 60 ALA HB3 . 18220 1 522 . 1 1 69 69 ALA C C 13 176.978 0.1 . 1 . . . A 60 ALA C . 18220 1 523 . 1 1 69 69 ALA CA C 13 55.1 0.1 . 1 . . . A 60 ALA CA . 18220 1 524 . 1 1 69 69 ALA CB C 13 17.728 0.1 . 1 . . . A 60 ALA CB . 18220 1 525 . 1 1 69 69 ALA N N 15 123.621 0.1 . 1 . . . A 60 ALA N . 18220 1 526 . 1 1 70 70 PHE H H 1 8.007 0.01 . 1 . . . A 61 PHE H . 18220 1 527 . 1 1 70 70 PHE HA H 1 4.26 0.01 . 1 . . . A 61 PHE HA . 18220 1 528 . 1 1 70 70 PHE HB2 H 1 3.159 0.01 . 2 . . . A 61 PHE HB2 . 18220 1 529 . 1 1 70 70 PHE HB3 H 1 3.159 0.01 . 2 . . . A 61 PHE HB3 . 18220 1 530 . 1 1 70 70 PHE C C 13 175.369 0.1 . 1 . . . A 61 PHE C . 18220 1 531 . 1 1 70 70 PHE CA C 13 60.179 0.1 . 1 . . . A 61 PHE CA . 18220 1 532 . 1 1 70 70 PHE CB C 13 38.706 0.1 . 1 . . . A 61 PHE CB . 18220 1 533 . 1 1 70 70 PHE N N 15 118.52 0.1 . 1 . . . A 61 PHE N . 18220 1 534 . 1 1 71 71 PHE H H 1 8.546 0.01 . 1 . . . A 62 PHE H . 18220 1 535 . 1 1 71 71 PHE HA H 1 4 0.01 . 1 . . . A 62 PHE HA . 18220 1 536 . 1 1 71 71 PHE HB2 H 1 2.993 0.01 . 2 . . . A 62 PHE HB2 . 18220 1 537 . 1 1 71 71 PHE HB3 H 1 3.126 0.01 . 2 . . . A 62 PHE HB3 . 18220 1 538 . 1 1 71 71 PHE C C 13 174.697 0.1 . 1 . . . A 62 PHE C . 18220 1 539 . 1 1 71 71 PHE CA C 13 60.517 0.1 . 1 . . . A 62 PHE CA . 18220 1 540 . 1 1 71 71 PHE CB C 13 38.77 0.1 . 1 . . . A 62 PHE CB . 18220 1 541 . 1 1 71 71 PHE N N 15 122.314 0.1 . 1 . . . A 62 PHE N . 18220 1 542 . 1 1 72 72 LEU H H 1 8.396 0.01 . 1 . . . A 63 LEU H . 18220 1 543 . 1 1 72 72 LEU HA H 1 3.87 0.01 . 1 . . . A 63 LEU HA . 18220 1 544 . 1 1 72 72 LEU HB2 H 1 1.835 0.01 . 2 . . . A 63 LEU HB2 . 18220 1 545 . 1 1 72 72 LEU HB3 H 1 1.835 0.01 . 2 . . . A 63 LEU HB3 . 18220 1 546 . 1 1 72 72 LEU HG H 1 1.493 0.01 . 1 . . . A 63 LEU HG . 18220 1 547 . 1 1 72 72 LEU HD11 H 1 0.876 0.01 . 2 . . . A 63 LEU HD11 . 18220 1 548 . 1 1 72 72 LEU HD12 H 1 0.876 0.01 . 2 . . . A 63 LEU HD12 . 18220 1 549 . 1 1 72 72 LEU HD13 H 1 0.876 0.01 . 2 . . . A 63 LEU HD13 . 18220 1 550 . 1 1 72 72 LEU HD21 H 1 0.876 0.01 . 2 . . . A 63 LEU HD21 . 18220 1 551 . 1 1 72 72 LEU HD22 H 1 0.876 0.01 . 2 . . . A 63 LEU HD22 . 18220 1 552 . 1 1 72 72 LEU HD23 H 1 0.876 0.01 . 2 . . . A 63 LEU HD23 . 18220 1 553 . 1 1 72 72 LEU C C 13 175.774 0.1 . 1 . . . A 63 LEU C . 18220 1 554 . 1 1 72 72 LEU CA C 13 56.925 0.1 . 1 . . . A 63 LEU CA . 18220 1 555 . 1 1 72 72 LEU CB C 13 41.207 0.1 . 1 . . . A 63 LEU CB . 18220 1 556 . 1 1 72 72 LEU CG C 13 26.709 0.1 . 1 . . . A 63 LEU CG . 18220 1 557 . 1 1 72 72 LEU CD1 C 13 24.913 0.1 . 2 . . . A 63 LEU CD1 . 18220 1 558 . 1 1 72 72 LEU CD2 C 13 23.245 0.1 . 2 . . . A 63 LEU CD2 . 18220 1 559 . 1 1 72 72 LEU N N 15 119.399 0.1 . 1 . . . A 63 LEU N . 18220 1 560 . 1 1 73 73 ALA H H 1 8.025 0.01 . 1 . . . A 64 ALA H . 18220 1 561 . 1 1 73 73 ALA HA H 1 3.96 0.01 . 1 . . . A 64 ALA HA . 18220 1 562 . 1 1 73 73 ALA HB1 H 1 1.381 0.01 . 1 . . . A 64 ALA HB1 . 18220 1 563 . 1 1 73 73 ALA HB2 H 1 1.381 0.01 . 1 . . . A 64 ALA HB2 . 18220 1 564 . 1 1 73 73 ALA HB3 H 1 1.381 0.01 . 1 . . . A 64 ALA HB3 . 18220 1 565 . 1 1 73 73 ALA C C 13 177.267 0.1 . 1 . . . A 64 ALA C . 18220 1 566 . 1 1 73 73 ALA CA C 13 54.6 0.1 . 1 . . . A 64 ALA CA . 18220 1 567 . 1 1 73 73 ALA CB C 13 17.784 0.1 . 1 . . . A 64 ALA CB . 18220 1 568 . 1 1 73 73 ALA N N 15 120.221 0.1 . 1 . . . A 64 ALA N . 18220 1 569 . 1 1 74 74 THR H H 1 7.717 0.01 . 1 . . . A 65 THR H . 18220 1 570 . 1 1 74 74 THR HA H 1 3.98 0.01 . 1 . . . A 65 THR HA . 18220 1 571 . 1 1 74 74 THR HB H 1 3.773 0.01 . 1 . . . A 65 THR HB . 18220 1 572 . 1 1 74 74 THR HG21 H 1 0.96 0.01 . 1 . . . A 65 THR HG21 . 18220 1 573 . 1 1 74 74 THR HG22 H 1 0.96 0.01 . 1 . . . A 65 THR HG22 . 18220 1 574 . 1 1 74 74 THR HG23 H 1 0.96 0.01 . 1 . . . A 65 THR HG23 . 18220 1 575 . 1 1 74 74 THR CA C 13 66.291 0.1 . 1 . . . A 65 THR CA . 18220 1 576 . 1 1 74 74 THR CB C 13 67.914 0.1 . 1 . . . A 65 THR CB . 18220 1 577 . 1 1 74 74 THR CG2 C 13 21.085 0.1 . 1 . . . A 65 THR CG2 . 18220 1 578 . 1 1 74 74 THR N N 15 113.648 0.1 . 1 . . . A 65 THR N . 18220 1 579 . 1 1 75 75 ILE H H 1 7.738 0.01 . 1 . . . A 66 ILE H . 18220 1 580 . 1 1 75 75 ILE HA H 1 3.74 0.01 . 1 . . . A 66 ILE HA . 18220 1 581 . 1 1 75 75 ILE HB H 1 1.754 0.01 . 1 . . . A 66 ILE HB . 18220 1 582 . 1 1 75 75 ILE HD11 H 1 0.715 0.01 . 1 . . . A 66 ILE HD11 . 18220 1 583 . 1 1 75 75 ILE HD12 H 1 0.715 0.01 . 1 . . . A 66 ILE HD12 . 18220 1 584 . 1 1 75 75 ILE HD13 H 1 0.715 0.01 . 1 . . . A 66 ILE HD13 . 18220 1 585 . 1 1 75 75 ILE C C 13 174.951 0.1 . 1 . . . A 66 ILE C . 18220 1 586 . 1 1 75 75 ILE CA C 13 64.88 0.1 . 1 . . . A 66 ILE CA . 18220 1 587 . 1 1 75 75 ILE CB C 13 37.166 0.1 . 1 . . . A 66 ILE CB . 18220 1 588 . 1 1 75 75 ILE CG1 C 13 27.736 0.1 . 1 . . . A 66 ILE CG1 . 18220 1 589 . 1 1 75 75 ILE CG2 C 13 17.407 0.1 . 1 . . . A 66 ILE CG2 . 18220 1 590 . 1 1 75 75 ILE N N 15 120.291 0.1 . 1 . . . A 66 ILE N . 18220 1 591 . 1 1 76 76 MET H H 1 7.823 0.01 . 1 . . . A 67 MET H . 18220 1 592 . 1 1 76 76 MET HA H 1 4.22 0.01 . 1 . . . A 67 MET HA . 18220 1 593 . 1 1 76 76 MET HB2 H 1 2.038 0.01 . 2 . . . A 67 MET HB2 . 18220 1 594 . 1 1 76 76 MET HB3 H 1 2.038 0.01 . 2 . . . A 67 MET HB3 . 18220 1 595 . 1 1 76 76 MET C C 13 175.142 0.1 . 1 . . . A 67 MET C . 18220 1 596 . 1 1 76 76 MET CA C 13 56.723 0.1 . 1 . . . A 67 MET CA . 18220 1 597 . 1 1 76 76 MET CB C 13 31.951 0.1 . 1 . . . A 67 MET CB . 18220 1 598 . 1 1 76 76 MET CG C 13 31.283 0.1 . 1 . . . A 67 MET CG . 18220 1 599 . 1 1 76 76 MET CE C 13 17.1 0.1 . 1 . . . A 67 MET CE . 18220 1 600 . 1 1 76 76 MET N N 15 117.618 0.1 . 1 . . . A 67 MET N . 18220 1 601 . 1 1 77 77 GLY H H 1 7.937 0.01 . 1 . . . A 68 GLY H . 18220 1 602 . 1 1 77 77 GLY HA2 H 1 3.78 0.01 . 2 . . . A 68 GLY HA2 . 18220 1 603 . 1 1 77 77 GLY HA3 H 1 3.93 0.01 . 2 . . . A 68 GLY HA3 . 18220 1 604 . 1 1 77 77 GLY C C 13 172.26 0.1 . 1 . . . A 68 GLY C . 18220 1 605 . 1 1 77 77 GLY CA C 13 45.8 0.1 . 1 . . . A 68 GLY CA . 18220 1 606 . 1 1 77 77 GLY N N 15 107.11 0.1 . 1 . . . A 68 GLY N . 18220 1 607 . 1 1 78 78 VAL H H 1 7.697 0.01 . 1 . . . A 69 VAL H . 18220 1 608 . 1 1 78 78 VAL HA H 1 4.22 0.01 . 1 . . . A 69 VAL HA . 18220 1 609 . 1 1 78 78 VAL HB H 1 2.077 0.01 . 1 . . . A 69 VAL HB . 18220 1 610 . 1 1 78 78 VAL HG11 H 1 0.96 0.01 . 2 . . . A 69 VAL HG11 . 18220 1 611 . 1 1 78 78 VAL HG12 H 1 0.96 0.01 . 2 . . . A 69 VAL HG12 . 18220 1 612 . 1 1 78 78 VAL HG13 H 1 0.96 0.01 . 2 . . . A 69 VAL HG13 . 18220 1 613 . 1 1 78 78 VAL HG21 H 1 0.96 0.01 . 2 . . . A 69 VAL HG21 . 18220 1 614 . 1 1 78 78 VAL HG22 H 1 0.96 0.01 . 2 . . . A 69 VAL HG22 . 18220 1 615 . 1 1 78 78 VAL HG23 H 1 0.96 0.01 . 2 . . . A 69 VAL HG23 . 18220 1 616 . 1 1 78 78 VAL CA C 13 63.9 0.1 . 1 . . . A 69 VAL CA . 18220 1 617 . 1 1 78 78 VAL CB C 13 31.506 0.1 . 1 . . . A 69 VAL CB . 18220 1 618 . 1 1 78 78 VAL CG1 C 13 21.641 0.1 . 2 . . . A 69 VAL CG1 . 18220 1 619 . 1 1 78 78 VAL CG2 C 13 21.641 0.1 . 2 . . . A 69 VAL CG2 . 18220 1 620 . 1 1 78 78 VAL N N 15 120.431 0.1 . 1 . . . A 69 VAL N . 18220 1 621 . 1 1 79 79 ARG H H 1 7.889 0.01 . 1 . . . A 70 ARG H . 18220 1 622 . 1 1 79 79 ARG HA H 1 3.81 0.01 . 1 . . . A 70 ARG HA . 18220 1 623 . 1 1 79 79 ARG HB2 H 1 1.729 0.01 . 2 . . . A 70 ARG HB2 . 18220 1 624 . 1 1 79 79 ARG HB3 H 1 1.729 0.01 . 2 . . . A 70 ARG HB3 . 18220 1 625 . 1 1 79 79 ARG CA C 13 56.4 0.1 . 1 . . . A 70 ARG CA . 18220 1 626 . 1 1 79 79 ARG CB C 13 30.097 0.1 . 1 . . . A 70 ARG CB . 18220 1 627 . 1 1 79 79 ARG CG C 13 26.685 0.1 . 1 . . . A 70 ARG CG . 18220 1 628 . 1 1 79 79 ARG CD C 13 42.889 0.1 . 1 . . . A 70 ARG CD . 18220 1 629 . 1 1 79 79 ARG N N 15 121.42 0.1 . 1 . . . A 70 ARG N . 18220 1 630 . 1 1 80 80 PHE H H 1 8.101 0.01 . 1 . . . A 71 PHE H . 18220 1 631 . 1 1 80 80 PHE HA H 1 4.51 0.01 . 1 . . . A 71 PHE HA . 18220 1 632 . 1 1 80 80 PHE HB2 H 1 2.977 0.01 . 2 . . . A 71 PHE HB2 . 18220 1 633 . 1 1 80 80 PHE HB3 H 1 3.141 0.01 . 2 . . . A 71 PHE HB3 . 18220 1 634 . 1 1 80 80 PHE CA C 13 58.6 0.1 . 1 . . . A 71 PHE CA . 18220 1 635 . 1 1 80 80 PHE CB C 13 39.145 0.1 . 1 . . . A 71 PHE CB . 18220 1 636 . 1 1 80 80 PHE N N 15 119.949 0.1 . 1 . . . A 71 PHE N . 18220 1 637 . 1 1 81 81 LYS H H 1 8.09 0.01 . 1 . . . A 72 LYS H . 18220 1 638 . 1 1 81 81 LYS CA C 13 56.8 0.1 . 1 . . . A 72 LYS CA . 18220 1 639 . 1 1 81 81 LYS CB C 13 32.322 0.1 . 1 . . . A 72 LYS CB . 18220 1 640 . 1 1 81 81 LYS CG C 13 24.386 0.1 . 1 . . . A 72 LYS CG . 18220 1 641 . 1 1 81 81 LYS N N 15 122.193 0.1 . 1 . . . A 72 LYS N . 18220 1 642 . 1 1 82 82 ARG H H 1 8.052 0.01 . 1 . . . A 73 ARG H . 18220 1 643 . 1 1 82 82 ARG CA C 13 56.089 0.1 . 1 . . . A 73 ARG CA . 18220 1 644 . 1 1 82 82 ARG CB C 13 30.171 0.1 . 1 . . . A 73 ARG CB . 18220 1 645 . 1 1 82 82 ARG N N 15 119.65 0.1 . 1 . . . A 73 ARG N . 18220 1 646 . 1 1 83 83 SER H H 1 7.912 0.01 . 1 . . . A 74 SER H . 18220 1 647 . 1 1 83 83 SER CA C 13 58.355 0.1 . 1 . . . A 74 SER CA . 18220 1 648 . 1 1 83 83 SER CB C 13 63.404 0.1 . 1 . . . A 74 SER CB . 18220 1 649 . 1 1 83 83 SER N N 15 115.734 0.1 . 1 . . . A 74 SER N . 18220 1 650 . 1 1 84 84 LYS H H 1 8.067 0.01 . 1 . . . A 75 LYS H . 18220 1 651 . 1 1 84 84 LYS CA C 13 56.135 0.1 . 1 . . . A 75 LYS CA . 18220 1 652 . 1 1 84 84 LYS CB C 13 32.175 0.1 . 1 . . . A 75 LYS CB . 18220 1 653 . 1 1 84 84 LYS N N 15 122.37 0.1 . 1 . . . A 75 LYS N . 18220 1 654 . 1 1 86 86 ILE H H 1 7.837 0.01 . 1 . . . A 77 ILE H . 18220 1 655 . 1 1 86 86 ILE HA H 1 3.81 0.01 . 1 . . . A 77 ILE HA . 18220 1 656 . 1 1 86 86 ILE HB H 1 2.097 0.01 . 1 . . . A 77 ILE HB . 18220 1 657 . 1 1 86 86 ILE HG21 H 1 1.014 0.01 . 1 . . . A 77 ILE HG21 . 18220 1 658 . 1 1 86 86 ILE HG22 H 1 1.014 0.01 . 1 . . . A 77 ILE HG22 . 18220 1 659 . 1 1 86 86 ILE HG23 H 1 1.014 0.01 . 1 . . . A 77 ILE HG23 . 18220 1 660 . 1 1 86 86 ILE CA C 13 64.9 0.1 . 1 . . . A 77 ILE CA . 18220 1 661 . 1 1 86 86 ILE CB C 13 39.145 0.1 . 1 . . . A 77 ILE CB . 18220 1 662 . 1 1 86 86 ILE N N 15 119.592 0.1 . 1 . . . A 77 ILE N . 18220 1 663 . 1 1 87 87 MET H H 1 7.95 0.01 . 1 . . . A 78 MET H . 18220 1 664 . 1 1 87 87 MET CA C 13 52.982 0.1 . 1 . . . A 78 MET CA . 18220 1 665 . 1 1 87 87 MET CB C 13 32.173 0.1 . 1 . . . A 78 MET CB . 18220 1 666 . 1 1 87 87 MET N N 15 121.645 0.1 . 1 . . . A 78 MET N . 18220 1 667 . 1 1 88 88 PRO HA H 1 4.14 0.01 . 1 . . . A 79 PRO HA . 18220 1 668 . 1 1 88 88 PRO C C 13 173.921 0.1 . 1 . . . A 79 PRO C . 18220 1 669 . 1 1 88 88 PRO CA C 13 62.8 0.1 . 1 . . . A 79 PRO CA . 18220 1 670 . 1 1 88 88 PRO CB C 13 31.136 0.1 . 1 . . . A 79 PRO CB . 18220 1 671 . 1 1 88 88 PRO CG C 13 27.236 0.1 . 1 . . . A 79 PRO CG . 18220 1 672 . 1 1 89 89 ALA H H 1 8.32 0.01 . 1 . . . A 80 ALA H . 18220 1 673 . 1 1 89 89 ALA HA H 1 4.4 0.01 . 1 . . . A 80 ALA HA . 18220 1 674 . 1 1 89 89 ALA C C 13 176.234 0.1 . 1 . . . A 80 ALA C . 18220 1 675 . 1 1 89 89 ALA CA C 13 53.3 0.1 . 1 . . . A 80 ALA CA . 18220 1 676 . 1 1 89 89 ALA CB C 13 18.498 0.1 . 1 . . . A 80 ALA CB . 18220 1 677 . 1 1 89 89 ALA N N 15 124.431 0.1 . 1 . . . A 80 ALA N . 18220 1 678 . 1 1 90 90 GLY H H 1 8.458 0.01 . 1 . . . A 81 GLY H . 18220 1 679 . 1 1 90 90 GLY HA2 H 1 3.88 0.01 . 2 . . . A 81 GLY HA2 . 18220 1 680 . 1 1 90 90 GLY HA3 H 1 3.96 0.01 . 2 . . . A 81 GLY HA3 . 18220 1 681 . 1 1 90 90 GLY C C 13 172.398 0.1 . 1 . . . A 81 GLY C . 18220 1 682 . 1 1 90 90 GLY CA C 13 45.6 0.1 . 1 . . . A 81 GLY CA . 18220 1 683 . 1 1 90 90 GLY N N 15 106.834 0.1 . 1 . . . A 81 GLY N . 18220 1 684 . 1 1 91 91 LEU H H 1 7.687 0.01 . 1 . . . A 82 LEU H . 18220 1 685 . 1 1 91 91 LEU HA H 1 4.2 0.01 . 1 . . . A 82 LEU HA . 18220 1 686 . 1 1 91 91 LEU C C 13 174.783 0.1 . 1 . . . A 82 LEU C . 18220 1 687 . 1 1 91 91 LEU CA C 13 56.3 0.1 . 1 . . . A 82 LEU CA . 18220 1 688 . 1 1 91 91 LEU CB C 13 42.106 0.1 . 1 . . . A 82 LEU CB . 18220 1 689 . 1 1 91 91 LEU CD1 C 13 24.079 0.1 . 2 . . . A 82 LEU CD1 . 18220 1 690 . 1 1 91 91 LEU CD2 C 13 20.743 0.1 . 2 . . . A 82 LEU CD2 . 18220 1 691 . 1 1 91 91 LEU N N 15 121.043 0.1 . 1 . . . A 82 LEU N . 18220 1 692 . 1 1 92 92 VAL H H 1 7.602 0.01 . 1 . . . A 83 VAL H . 18220 1 693 . 1 1 92 92 VAL HA H 1 3.98 0.01 . 1 . . . A 83 VAL HA . 18220 1 694 . 1 1 92 92 VAL C C 13 173.634 0.1 . 1 . . . A 83 VAL C . 18220 1 695 . 1 1 92 92 VAL CA C 13 62.4 0.1 . 1 . . . A 83 VAL CA . 18220 1 696 . 1 1 92 92 VAL CB C 13 31.585 0.1 . 1 . . . A 83 VAL CB . 18220 1 697 . 1 1 92 92 VAL CG1 C 13 21.192 0.1 . 2 . . . A 83 VAL CG1 . 18220 1 698 . 1 1 92 92 VAL CG2 C 13 20.23 0.1 . 2 . . . A 83 VAL CG2 . 18220 1 699 . 1 1 92 92 VAL N N 15 114.737 0.1 . 1 . . . A 83 VAL N . 18220 1 700 . 1 1 93 93 ALA H H 1 7.891 0.01 . 1 . . . A 84 ALA H . 18220 1 701 . 1 1 93 93 ALA HA H 1 4.15 0.01 . 1 . . . A 84 ALA HA . 18220 1 702 . 1 1 93 93 ALA C C 13 175.746 0.1 . 1 . . . A 84 ALA C . 18220 1 703 . 1 1 93 93 ALA CA C 13 53.3 0.1 . 1 . . . A 84 ALA CA . 18220 1 704 . 1 1 93 93 ALA CB C 13 18.241 0.1 . 1 . . . A 84 ALA CB . 18220 1 705 . 1 1 93 93 ALA N N 15 124.32 0.1 . 1 . . . A 84 ALA N . 18220 1 706 . 1 1 94 94 GLY H H 1 8.204 0.01 . 1 . . . A 85 GLY H . 18220 1 707 . 1 1 94 94 GLY HA2 H 1 3.84 0.01 . 2 . . . A 85 GLY HA2 . 18220 1 708 . 1 1 94 94 GLY HA3 H 1 3.88 0.01 . 2 . . . A 85 GLY HA3 . 18220 1 709 . 1 1 94 94 GLY C C 13 171.752 0.1 . 1 . . . A 85 GLY C . 18220 1 710 . 1 1 94 94 GLY CA C 13 45.249 0.1 . 1 . . . A 85 GLY CA . 18220 1 711 . 1 1 94 94 GLY N N 15 106.807 0.1 . 1 . . . A 85 GLY N . 18220 1 712 . 1 1 95 95 LEU H H 1 7.718 0.01 . 1 . . . A 86 LEU H . 18220 1 713 . 1 1 95 95 LEU HA H 1 4.38 0.01 . 1 . . . A 86 LEU HA . 18220 1 714 . 1 1 95 95 LEU C C 13 173.702 0.1 . 1 . . . A 86 LEU C . 18220 1 715 . 1 1 95 95 LEU CA C 13 55 0.1 . 1 . . . A 86 LEU CA . 18220 1 716 . 1 1 95 95 LEU CB C 13 42.298 0.1 . 1 . . . A 86 LEU CB . 18220 1 717 . 1 1 95 95 LEU CG C 13 26.453 0.1 . 1 . . . A 86 LEU CG . 18220 1 718 . 1 1 95 95 LEU N N 15 121.266 0.1 . 1 . . . A 86 LEU N . 18220 1 719 . 1 1 96 96 SER H H 1 7.659 0.01 . 1 . . . A 87 SER H . 18220 1 720 . 1 1 96 96 SER HA H 1 4.37 0.01 . 1 . . . A 87 SER HA . 18220 1 721 . 1 1 96 96 SER C C 13 172.479 0.1 . 1 . . . A 87 SER C . 18220 1 722 . 1 1 96 96 SER CA C 13 57.2 0.1 . 1 . . . A 87 SER CA . 18220 1 723 . 1 1 96 96 SER CB C 13 64.174 0.1 . 1 . . . A 87 SER CB . 18220 1 724 . 1 1 96 96 SER N N 15 115.658 0.1 . 1 . . . A 87 SER N . 18220 1 725 . 1 1 97 97 LEU H H 1 8.733 0.01 . 1 . . . A 88 LEU H . 18220 1 726 . 1 1 97 97 LEU HA H 1 4.6 0.01 . 1 . . . A 88 LEU HA . 18220 1 727 . 1 1 97 97 LEU C C 13 175.932 0.1 . 1 . . . A 88 LEU C . 18220 1 728 . 1 1 97 97 LEU CA C 13 57.6 0.1 . 1 . . . A 88 LEU CA . 18220 1 729 . 1 1 97 97 LEU CB C 13 41.4 0.1 . 1 . . . A 88 LEU CB . 18220 1 730 . 1 1 97 97 LEU CG C 13 26.902 0.1 . 1 . . . A 88 LEU CG . 18220 1 731 . 1 1 97 97 LEU N N 15 123.72 0.1 . 1 . . . A 88 LEU N . 18220 1 732 . 1 1 98 98 MET H H 1 8.342 0.01 . 1 . . . A 89 MET H . 18220 1 733 . 1 1 98 98 MET HA H 1 4.28 0.01 . 1 . . . A 89 MET HA . 18220 1 734 . 1 1 98 98 MET C C 13 175.789 0.1 . 1 . . . A 89 MET C . 18220 1 735 . 1 1 98 98 MET CA C 13 56.915 0.1 . 1 . . . A 89 MET CA . 18220 1 736 . 1 1 98 98 MET CB C 13 31.007 0.1 . 1 . . . A 89 MET CB . 18220 1 737 . 1 1 98 98 MET CG C 13 31.905 0.1 . 1 . . . A 89 MET CG . 18220 1 738 . 1 1 98 98 MET N N 15 116.684 0.1 . 1 . . . A 89 MET N . 18220 1 739 . 1 1 99 99 MET H H 1 7.72 0.01 . 1 . . . A 90 MET H . 18220 1 740 . 1 1 99 99 MET HA H 1 4.11 0.01 . 1 . . . A 90 MET HA . 18220 1 741 . 1 1 99 99 MET C C 13 175.588 0.1 . 1 . . . A 90 MET C . 18220 1 742 . 1 1 99 99 MET CA C 13 57.951 0.1 . 1 . . . A 90 MET CA . 18220 1 743 . 1 1 99 99 MET CB C 13 32.226 0.1 . 1 . . . A 90 MET CB . 18220 1 744 . 1 1 99 99 MET CG C 13 31.521 0.1 . 1 . . . A 90 MET CG . 18220 1 745 . 1 1 99 99 MET N N 15 119.182 0.1 . 1 . . . A 90 MET N . 18220 1 746 . 1 1 100 100 ILE H H 1 7.662 0.01 . 1 . . . A 91 ILE H . 18220 1 747 . 1 1 100 100 ILE HA H 1 4.11 0.01 . 1 . . . A 91 ILE HA . 18220 1 748 . 1 1 100 100 ILE C C 13 174.634 0.1 . 1 . . . A 91 ILE C . 18220 1 749 . 1 1 100 100 ILE CA C 13 64.1 0.1 . 1 . . . A 91 ILE CA . 18220 1 750 . 1 1 100 100 ILE CB C 13 37.143 0.1 . 1 . . . A 91 ILE CB . 18220 1 751 . 1 1 100 100 ILE CG1 C 13 28.391 0.1 . 1 . . . A 91 ILE CG1 . 18220 1 752 . 1 1 100 100 ILE CD1 C 13 12.963 0.1 . 1 . . . A 91 ILE CD1 . 18220 1 753 . 1 1 100 100 ILE N N 15 119.077 0.1 . 1 . . . A 91 ILE N . 18220 1 754 . 1 1 101 101 LEU H H 1 8.142 0.01 . 1 . . . A 92 LEU H . 18220 1 755 . 1 1 101 101 LEU HA H 1 4.53 0.01 . 1 . . . A 92 LEU HA . 18220 1 756 . 1 1 101 101 LEU C C 13 175.43 0.1 . 1 . . . A 92 LEU C . 18220 1 757 . 1 1 101 101 LEU CA C 13 57.8 0.1 . 1 . . . A 92 LEU CA . 18220 1 758 . 1 1 101 101 LEU CB C 13 40.758 0.1 . 1 . . . A 92 LEU CB . 18220 1 759 . 1 1 101 101 LEU CG C 13 26.517 0.1 . 1 . . . A 92 LEU CG . 18220 1 760 . 1 1 101 101 LEU CD1 C 13 24.079 0.1 . 2 . . . A 92 LEU CD1 . 18220 1 761 . 1 1 101 101 LEU CD2 C 13 23.63 0.1 . 2 . . . A 92 LEU CD2 . 18220 1 762 . 1 1 101 101 LEU N N 15 119.646 0.1 . 1 . . . A 92 LEU N . 18220 1 763 . 1 1 102 102 ARG H H 1 7.893 0.01 . 1 . . . A 93 ARG H . 18220 1 764 . 1 1 102 102 ARG HA H 1 4.14 0.01 . 1 . . . A 93 ARG HA . 18220 1 765 . 1 1 102 102 ARG C C 13 175.961 0.1 . 1 . . . A 93 ARG C . 18220 1 766 . 1 1 102 102 ARG CA C 13 59.1 0.1 . 1 . . . A 93 ARG CA . 18220 1 767 . 1 1 102 102 ARG CB C 13 29.404 0.1 . 1 . . . A 93 ARG CB . 18220 1 768 . 1 1 102 102 ARG CG C 13 28.056 0.1 . 1 . . . A 93 ARG CG . 18220 1 769 . 1 1 102 102 ARG N N 15 116.394 0.1 . 1 . . . A 93 ARG N . 18220 1 770 . 1 1 103 103 LEU H H 1 7.622 0.01 . 1 . . . A 94 LEU H . 18220 1 771 . 1 1 103 103 LEU HA H 1 4.11 0.01 . 1 . . . A 94 LEU HA . 18220 1 772 . 1 1 103 103 LEU C C 13 175.889 0.1 . 1 . . . A 94 LEU C . 18220 1 773 . 1 1 103 103 LEU CA C 13 57.3 0.1 . 1 . . . A 94 LEU CA . 18220 1 774 . 1 1 103 103 LEU CB C 13 41.296 0.1 . 1 . . . A 94 LEU CB . 18220 1 775 . 1 1 103 103 LEU CG C 13 26.611 0.1 . 1 . . . A 94 LEU CG . 18220 1 776 . 1 1 103 103 LEU N N 15 119.114 0.1 . 1 . . . A 94 LEU N . 18220 1 777 . 1 1 104 104 VAL H H 1 8.026 0.01 . 1 . . . A 95 VAL H . 18220 1 778 . 1 1 104 104 VAL HA H 1 3.53 0.01 . 1 . . . A 95 VAL HA . 18220 1 779 . 1 1 104 104 VAL C C 13 175.042 0.1 . 1 . . . A 95 VAL C . 18220 1 780 . 1 1 104 104 VAL CA C 13 66.419 0.1 . 1 . . . A 95 VAL CA . 18220 1 781 . 1 1 104 104 VAL CB C 13 31.357 0.1 . 1 . . . A 95 VAL CB . 18220 1 782 . 1 1 104 104 VAL CG1 C 13 22.383 0.1 . 2 . . . A 95 VAL CG1 . 18220 1 783 . 1 1 104 104 VAL CG2 C 13 21.345 0.1 . 2 . . . A 95 VAL CG2 . 18220 1 784 . 1 1 104 104 VAL N N 15 117.704 0.1 . 1 . . . A 95 VAL N . 18220 1 785 . 1 1 105 105 LEU H H 1 7.893 0.01 . 1 . . . A 96 LEU H . 18220 1 786 . 1 1 105 105 LEU HA H 1 3.98 0.01 . 1 . . . A 96 LEU HA . 18220 1 787 . 1 1 105 105 LEU C C 13 176.579 0.1 . 1 . . . A 96 LEU C . 18220 1 788 . 1 1 105 105 LEU CA C 13 56.8 0.1 . 1 . . . A 96 LEU CA . 18220 1 789 . 1 1 105 105 LEU CB C 13 40.951 0.1 . 1 . . . A 96 LEU CB . 18220 1 790 . 1 1 105 105 LEU CG C 13 26.453 0.1 . 1 . . . A 96 LEU CG . 18220 1 791 . 1 1 105 105 LEU CD1 C 13 25.362 0.1 . 2 . . . A 96 LEU CD1 . 18220 1 792 . 1 1 105 105 LEU CD2 C 13 22.539 0.1 . 2 . . . A 96 LEU CD2 . 18220 1 793 . 1 1 105 105 LEU N N 15 117.185 0.1 . 1 . . . A 96 LEU N . 18220 1 794 . 1 1 106 106 LEU H H 1 7.545 0.01 . 1 . . . A 97 LEU H . 18220 1 795 . 1 1 106 106 LEU HA H 1 4.18 0.01 . 1 . . . A 97 LEU HA . 18220 1 796 . 1 1 106 106 LEU C C 13 175.802 0.1 . 1 . . . A 97 LEU C . 18220 1 797 . 1 1 106 106 LEU CA C 13 56.3 0.1 . 1 . . . A 97 LEU CA . 18220 1 798 . 1 1 106 106 LEU CB C 13 41.592 0.1 . 1 . . . A 97 LEU CB . 18220 1 799 . 1 1 106 106 LEU CG C 13 26.517 0.1 . 1 . . . A 97 LEU CG . 18220 1 800 . 1 1 106 106 LEU CD1 C 13 25.49 0.1 . 2 . . . A 97 LEU CD1 . 18220 1 801 . 1 1 106 106 LEU CD2 C 13 22.603 0.1 . 2 . . . A 97 LEU CD2 . 18220 1 802 . 1 1 106 106 LEU N N 15 118.471 0.1 . 1 . . . A 97 LEU N . 18220 1 803 . 1 1 107 107 LEU H H 1 7.688 0.01 . 1 . . . A 98 LEU H . 18220 1 804 . 1 1 107 107 LEU HA H 1 4.23 0.01 . 1 . . . A 98 LEU HA . 18220 1 805 . 1 1 107 107 LEU C C 13 174.174 0.1 . 1 . . . A 98 LEU C . 18220 1 806 . 1 1 107 107 LEU CA C 13 56.283 0.1 . 1 . . . A 98 LEU CA . 18220 1 807 . 1 1 107 107 LEU CB C 13 42.362 0.1 . 1 . . . A 98 LEU CB . 18220 1 808 . 1 1 107 107 LEU CG C 13 26.26 0.1 . 1 . . . A 98 LEU CG . 18220 1 809 . 1 1 107 107 LEU CD1 C 13 20.037 0.1 . 2 . . . A 98 LEU CD1 . 18220 1 810 . 1 1 107 107 LEU CD2 C 13 21.449 0.1 . 2 . . . A 98 LEU CD2 . 18220 1 811 . 1 1 107 107 LEU N N 15 118.162 0.1 . 1 . . . A 98 LEU N . 18220 1 812 . 1 1 108 108 LEU H H 1 7.287 0.01 . 1 . . . A 99 LEU H . 18220 1 813 . 1 1 108 108 LEU HA H 1 4.23 0.01 . 1 . . . A 99 LEU HA . 18220 1 814 . 1 1 108 108 LEU CA C 13 54.985 0.1 . 1 . . . A 99 LEU CA . 18220 1 815 . 1 1 108 108 LEU CB C 13 42.038 0.1 . 1 . . . A 99 LEU CB . 18220 1 816 . 1 1 108 108 LEU CG C 13 26.166 0.1 . 1 . . . A 99 LEU CG . 18220 1 817 . 1 1 108 108 LEU CD1 C 13 23.437 0.1 . 2 . . . A 99 LEU CD1 . 18220 1 818 . 1 1 108 108 LEU CD2 C 13 22.668 0.1 . 2 . . . A 99 LEU CD2 . 18220 1 819 . 1 1 108 108 LEU N N 15 120.511 0.1 . 1 . . . A 99 LEU N . 18220 1 stop_ save_