data_18221 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18221 _Entry.Title ; Backbone structure of human membrane protein FAM14B (Interferon alpha-inducible protein 27-like protein 1) ; _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 Christian Klammt . . . 18221 2 Ellis Chui . JC . 18221 3 Innokentiy Maslennikov . . . 18221 4 Witek Kwiatkowski . . . 18221 5 Senyon Choe . . . 18221 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' . 18221 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Backbone structure' . 18221 'Helical bundle' . 18221 'Homo sapiens' . 18221 'Membrane protein' . 18221 'Paramagnetic relaxation enhancement' . 18221 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18221 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 350 18221 '15N chemical shifts' 107 18221 '1H chemical shifts' 428 18221 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' 18221 1 . . 2012-05-22 2012-01-26 original author 'original release' 18221 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18217 HIGD1A 18221 BMRB 18218 HIGD1B 18221 BMRB 18219 TMEM14A(NOE) 18221 BMRB 18220 TMEM14A(PRE) 18221 BMRB 18222 TMEM141 18221 BMRB 18223 TMEM14C 18221 PDB 2LOQ 'BMRB Entry Tracking System' 18221 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18221 _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 . . . 18221 1 2 Innokentiy Maslennikov . . . 18221 1 3 Monika Bayrhuber . . . 18221 1 4 Cedric Eichmann . . . 18221 1 5 Navratna Vajpai . . . 18221 1 6 'Ellis Jeremy Chua' Chiu . . . 18221 1 7 Katherine Blain . Y. . 18221 1 8 Luis Esquivies . . . 18221 1 9 'June Hyun Jung' Kwon . . . 18221 1 10 Bartosz Balana . . . 18221 1 11 Ursula Pieper . . . 18221 1 12 Andrej Sali . . . 18221 1 13 Paul Slesinger . A. . 18221 1 14 Witek Kwiatkowski . . . 18221 1 15 Roland Riek . . . 18221 1 16 Senyon Choe . . . 18221 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18221 _Assembly.ID 1 _Assembly.Name FAM14B _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 FAM14B 1 $entity A . yes native no no . . . 18221 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18221 _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 ; MTSLYKKVGMGKESGWDSGR AAVAAVVGGVVAVGTVLVAL SAMGFTSVGIAASSIAAKMM STAAIANGGGVAAGSLVAIL QSVGAAGLSVTSKVIGGFAG TALGAWLGSPPSS ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'The following single-cysteine mutations were made for spin-labeling with MTSL: S9C, T26C, S38C, S52C, S66C, S73C, S83C, S100C' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9553.060 _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 PDB 2LOQ . "Backbone Structure Of Human Membrane Protein Fam14b (Interferon Alpha- Inducible Protein 27-Like Protein 1)" . . . . . 100.00 113 100.00 100.00 2.27e-64 . . . . 18221 1 2 no GB AAH15423 . "Interferon, alpha-inducible protein 27-like 1 [Homo sapiens]" . . . . . 92.04 104 100.00 100.00 5.54e-57 . . . . 18221 1 3 no GB ACT64524 . "family with sequence similarity 14, member B protein [synthetic construct]" . . . . . 92.04 104 100.00 100.00 5.54e-57 . . . . 18221 1 4 no GB ACT64525 . "family with sequence similarity 14, member B protein [synthetic construct]" . . . . . 92.04 104 100.00 100.00 5.54e-57 . . . . 18221 1 5 no GB ADZ15768 . "interferon, alpha-inducible protein 27-like 1 [synthetic construct]" . . . . . 92.04 104 100.00 100.00 5.54e-57 . . . . 18221 1 6 no GB AIC52948 . "IFI27L1, partial [synthetic construct]" . . . . . 92.04 104 100.00 100.00 5.54e-57 . . . . 18221 1 7 no REF NP_660292 . "interferon alpha-inducible protein 27-like protein 1 [Homo sapiens]" . . . . . 92.04 104 100.00 100.00 5.54e-57 . . . . 18221 1 8 no REF NP_996832 . "interferon alpha-inducible protein 27-like protein 1 [Homo sapiens]" . . . . . 92.04 104 100.00 100.00 5.54e-57 . . . . 18221 1 9 no REF XP_009426632 . "PREDICTED: LOW QUALITY PROTEIN: interferon alpha-inducible protein 27-like protein 1 [Pan troglodytes]" . . . . . 92.04 104 97.12 97.12 4.48e-41 . . . . 18221 1 10 no REF XP_011534707 . "PREDICTED: interferon alpha-inducible protein 27-like protein 1 isoform X2 [Homo sapiens]" . . . . . 92.04 104 100.00 100.00 5.54e-57 . . . . 18221 1 11 no REF XP_011534708 . "PREDICTED: interferon alpha-inducible protein 27-like protein 1 isoform X3 [Homo sapiens]" . . . . . 85.84 103 97.94 97.94 2.48e-49 . . . . 18221 1 12 no SP Q96BM0 . "RecName: Full=Interferon alpha-inducible protein 27-like protein 1; AltName: Full=Interferon-stimulated gene 12c protein; Short" . . . . . 92.04 104 100.00 100.00 5.54e-57 . . . . 18221 1 13 no TPE CAE00392 . "TPA: putative ISG12(c) protein [Homo sapiens]" . . . . . 92.04 104 100.00 100.00 5.54e-57 . . . . 18221 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18221 1 2 . THR . 18221 1 3 . SER . 18221 1 4 -5 LEU . 18221 1 5 -4 TYR . 18221 1 6 -3 LYS . 18221 1 7 -2 LYS . 18221 1 8 -1 VAL . 18221 1 9 0 GLY . 18221 1 10 1 MET . 18221 1 11 2 GLY . 18221 1 12 3 LYS . 18221 1 13 4 GLU . 18221 1 14 5 SER . 18221 1 15 6 GLY . 18221 1 16 7 TRP . 18221 1 17 8 ASP . 18221 1 18 9 SER . 18221 1 19 10 GLY . 18221 1 20 11 ARG . 18221 1 21 12 ALA . 18221 1 22 13 ALA . 18221 1 23 14 VAL . 18221 1 24 15 ALA . 18221 1 25 16 ALA . 18221 1 26 17 VAL . 18221 1 27 18 VAL . 18221 1 28 19 GLY . 18221 1 29 20 GLY . 18221 1 30 21 VAL . 18221 1 31 22 VAL . 18221 1 32 23 ALA . 18221 1 33 24 VAL . 18221 1 34 25 GLY . 18221 1 35 26 THR . 18221 1 36 27 VAL . 18221 1 37 28 LEU . 18221 1 38 29 VAL . 18221 1 39 30 ALA . 18221 1 40 31 LEU . 18221 1 41 32 SER . 18221 1 42 33 ALA . 18221 1 43 34 MET . 18221 1 44 35 GLY . 18221 1 45 36 PHE . 18221 1 46 37 THR . 18221 1 47 38 SER . 18221 1 48 39 VAL . 18221 1 49 40 GLY . 18221 1 50 41 ILE . 18221 1 51 42 ALA . 18221 1 52 43 ALA . 18221 1 53 44 SER . 18221 1 54 45 SER . 18221 1 55 46 ILE . 18221 1 56 47 ALA . 18221 1 57 48 ALA . 18221 1 58 49 LYS . 18221 1 59 50 MET . 18221 1 60 51 MET . 18221 1 61 52 SER . 18221 1 62 53 THR . 18221 1 63 54 ALA . 18221 1 64 55 ALA . 18221 1 65 56 ILE . 18221 1 66 57 ALA . 18221 1 67 58 ASN . 18221 1 68 59 GLY . 18221 1 69 60 GLY . 18221 1 70 61 GLY . 18221 1 71 62 VAL . 18221 1 72 63 ALA . 18221 1 73 64 ALA . 18221 1 74 65 GLY . 18221 1 75 66 SER . 18221 1 76 67 LEU . 18221 1 77 68 VAL . 18221 1 78 69 ALA . 18221 1 79 70 ILE . 18221 1 80 71 LEU . 18221 1 81 72 GLN . 18221 1 82 73 SER . 18221 1 83 74 VAL . 18221 1 84 75 GLY . 18221 1 85 76 ALA . 18221 1 86 77 ALA . 18221 1 87 78 GLY . 18221 1 88 79 LEU . 18221 1 89 80 SER . 18221 1 90 81 VAL . 18221 1 91 82 THR . 18221 1 92 83 SER . 18221 1 93 84 LYS . 18221 1 94 85 VAL . 18221 1 95 86 ILE . 18221 1 96 87 GLY . 18221 1 97 88 GLY . 18221 1 98 89 PHE . 18221 1 99 90 ALA . 18221 1 100 91 GLY . 18221 1 101 92 THR . 18221 1 102 93 ALA . 18221 1 103 94 LEU . 18221 1 104 95 GLY . 18221 1 105 96 ALA . 18221 1 106 97 TRP . 18221 1 107 98 LEU . 18221 1 108 99 GLY . 18221 1 109 100 SER . 18221 1 110 101 PRO . 18221 1 111 102 PRO . 18221 1 112 103 SER . 18221 1 113 104 SER . 18221 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 18221 1 . THR 2 2 18221 1 . SER 3 3 18221 1 . LEU 4 4 18221 1 . TYR 5 5 18221 1 . LYS 6 6 18221 1 . LYS 7 7 18221 1 . VAL 8 8 18221 1 . GLY 9 9 18221 1 . MET 10 10 18221 1 . GLY 11 11 18221 1 . LYS 12 12 18221 1 . GLU 13 13 18221 1 . SER 14 14 18221 1 . GLY 15 15 18221 1 . TRP 16 16 18221 1 . ASP 17 17 18221 1 . SER 18 18 18221 1 . GLY 19 19 18221 1 . ARG 20 20 18221 1 . ALA 21 21 18221 1 . ALA 22 22 18221 1 . VAL 23 23 18221 1 . ALA 24 24 18221 1 . ALA 25 25 18221 1 . VAL 26 26 18221 1 . VAL 27 27 18221 1 . GLY 28 28 18221 1 . GLY 29 29 18221 1 . VAL 30 30 18221 1 . VAL 31 31 18221 1 . ALA 32 32 18221 1 . VAL 33 33 18221 1 . GLY 34 34 18221 1 . THR 35 35 18221 1 . VAL 36 36 18221 1 . LEU 37 37 18221 1 . VAL 38 38 18221 1 . ALA 39 39 18221 1 . LEU 40 40 18221 1 . SER 41 41 18221 1 . ALA 42 42 18221 1 . MET 43 43 18221 1 . GLY 44 44 18221 1 . PHE 45 45 18221 1 . THR 46 46 18221 1 . SER 47 47 18221 1 . VAL 48 48 18221 1 . GLY 49 49 18221 1 . ILE 50 50 18221 1 . ALA 51 51 18221 1 . ALA 52 52 18221 1 . SER 53 53 18221 1 . SER 54 54 18221 1 . ILE 55 55 18221 1 . ALA 56 56 18221 1 . ALA 57 57 18221 1 . LYS 58 58 18221 1 . MET 59 59 18221 1 . MET 60 60 18221 1 . SER 61 61 18221 1 . THR 62 62 18221 1 . ALA 63 63 18221 1 . ALA 64 64 18221 1 . ILE 65 65 18221 1 . ALA 66 66 18221 1 . ASN 67 67 18221 1 . GLY 68 68 18221 1 . GLY 69 69 18221 1 . GLY 70 70 18221 1 . VAL 71 71 18221 1 . ALA 72 72 18221 1 . ALA 73 73 18221 1 . GLY 74 74 18221 1 . SER 75 75 18221 1 . LEU 76 76 18221 1 . VAL 77 77 18221 1 . ALA 78 78 18221 1 . ILE 79 79 18221 1 . LEU 80 80 18221 1 . GLN 81 81 18221 1 . SER 82 82 18221 1 . VAL 83 83 18221 1 . GLY 84 84 18221 1 . ALA 85 85 18221 1 . ALA 86 86 18221 1 . GLY 87 87 18221 1 . LEU 88 88 18221 1 . SER 89 89 18221 1 . VAL 90 90 18221 1 . THR 91 91 18221 1 . SER 92 92 18221 1 . LYS 93 93 18221 1 . VAL 94 94 18221 1 . ILE 95 95 18221 1 . GLY 96 96 18221 1 . GLY 97 97 18221 1 . PHE 98 98 18221 1 . ALA 99 99 18221 1 . GLY 100 100 18221 1 . THR 101 101 18221 1 . ALA 102 102 18221 1 . LEU 103 103 18221 1 . GLY 104 104 18221 1 . ALA 105 105 18221 1 . TRP 106 106 18221 1 . LEU 107 107 18221 1 . GLY 108 108 18221 1 . SER 109 109 18221 1 . PRO 110 110 18221 1 . PRO 111 111 18221 1 . SER 112 112 18221 1 . SER 113 113 18221 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 18221 _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 $entity . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18221 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 18221 _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 $entity . 'cell free synthesis' 'E. coli - cell free' . . . . . . . . . . . . . . . . . . . . . p23-GWN . . . . . . 18221 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18221 _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 MES-Bis-TRIS 'natural abundance' . . 1 $entity . . 20 . . mM . . . . 18221 1 2 LMPG 'natural abundance' . . . . . . 3 . . % . . . . 18221 1 3 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18221 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18221 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18221 1 stop_ save_ save_sample_NC _Sample.Sf_category sample _Sample.Sf_framecode sample_NC _Sample.Entry_ID 18221 _Sample.ID 2 _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 MES-Bis-TRIS 'natural abundance' . . 1 $entity . . 20 . . mM . . . . 18221 2 2 LMPG 'natural abundance' . . . . . . 3 . . % . . . . 18221 2 3 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18221 2 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18221 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18221 2 stop_ save_ save_sample_NCD _Sample.Sf_category sample _Sample.Sf_framecode sample_NCD _Sample.Entry_ID 18221 _Sample.ID 3 _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 MES-Bis-TRIS 'natural abundance' . . 1 $entity . . 20 . . mM . . . . 18221 3 2 LMPG 'natural abundance' . . . . . . 3 . . % . . . . 18221 3 3 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18221 3 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18221 3 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18221 3 stop_ save_ save_sample_ND _Sample.Sf_category sample _Sample.Sf_framecode sample_ND _Sample.Entry_ID 18221 _Sample.ID 4 _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 MES-Bis-TRIS 'natural abundance' . . 1 $entity . . 20 . . mM . . . . 18221 4 2 LMPG 'natural abundance' . . . . . . 3 . . % . . . . 18221 4 3 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18221 4 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18221 4 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18221 4 stop_ save_ save_samples_CDL _Sample.Sf_category sample _Sample.Sf_framecode samples_CDL _Sample.Entry_ID 18221 _Sample.ID 5 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'Combinatorial residue-selective 15N-13C1-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 MES-Bis-TRIS 'natural abundance' . . 1 $entity . . 20 . . mM . . . . 18221 5 2 LMPG 'natural abundance' . . . . . . 3 . . % . . . . 18221 5 3 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18221 5 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18221 5 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18221 5 stop_ save_ save_samples_SL _Sample.Sf_category sample _Sample.Sf_framecode samples_SL _Sample.Entry_ID 18221 _Sample.ID 6 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'Single-cysteine U-15N-labeled 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 MES-Bis-TRIS 'natural abundance' . . 1 $entity . . 20 . . mM . . . . 18221 6 2 LMPG 'natural abundance' . . . . . . 3 . . % . . . . 18221 6 3 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18221 6 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18221 6 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18221 6 stop_ save_ save_samples_DL _Sample.Sf_category sample _Sample.Sf_framecode samples_DL _Sample.Entry_ID 18221 _Sample.ID 7 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'Single-cysteine U-15N-labeled 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 MES-Bis-TRIS 'natural abundance' . . 1 $entity . . 20 . . mM . . . . 18221 7 2 LMPG 'natural abundance' . . . . . . 3 . . % . . . . 18221 7 3 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18221 7 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18221 7 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18221 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 18221 _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' 60 . mM 18221 1 pH 6.0 . pH 18221 1 pressure 1 . atm 18221 1 temperature 310 . K 18221 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18221 _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' . . 18221 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18221 1 processing 18221 1 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 18221 _Software.ID 2 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 18221 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18221 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18221 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18221 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18221 3 'data analysis' 18221 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18221 _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' . . 18221 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18221 4 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 18221 _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' . . 18221 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure analysis' 18221 5 'structure visualization' 18221 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 18221 _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 18221 _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 . . . 18221 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 18221 _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 . . . . . . . . . . 5 $samples_CDL isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18221 1 2 '2D HNCO' no . . . . . . . . . . 5 $samples_CDL isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18221 1 3 '3D HNCO' no . . . . . . . . . . 3 $sample_NCD isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18221 1 4 '3D HNCA' no . . . . . . . . . . 3 $sample_NCD isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18221 1 5 '3D HNCACB' no . . . . . . . . . . 3 $sample_NCD isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18221 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $samples_SL isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18221 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $samples_DL isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18221 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18221 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $sample_ND isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18221 1 10 '3D 13C-15N HSQC-NOESY-HSQC' no . . . . . . . . . . 2 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18221 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 18221 _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 . . . . . . . . . 18221 1 H 1 water protons . . . . ppm 4.703 internal direct 1.00000000 . . . . . . . . . 18221 1 N 15 water protons . . . . ppm 4.703 internal indirect 0.101329118 . . . . . . . . . 18221 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 18221 _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 1 '2D 1H-15N HSQC' . . . 18221 1 2 '2D HNCO' . . . 18221 1 3 '3D HNCO' . . . 18221 1 4 '3D HNCA' . . . 18221 1 5 '3D HNCACB' . . . 18221 1 8 '3D 1H-15N NOESY' . . . 18221 1 9 '3D 1H-15N NOESY' . . . 18221 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 4 4 LEU H H 1 8.599 0.010 . 1 . . . . -5 LEU H . 18221 1 2 . 1 1 4 4 LEU C C 13 177.486 0.100 . 1 . . . . -5 LEU C . 18221 1 3 . 1 1 4 4 LEU CA C 13 57.048 0.100 . 1 . . . . -5 LEU CA . 18221 1 4 . 1 1 4 4 LEU CB C 13 41.418 0.100 . 1 . . . . -5 LEU CB . 18221 1 5 . 1 1 4 4 LEU N N 15 125.252 0.100 . 1 . . . . -5 LEU N . 18221 1 6 . 1 1 5 5 TYR H H 1 7.58 0.010 . 1 . . . . -4 TYR H . 18221 1 7 . 1 1 5 5 TYR CA C 13 58.761 0.100 . 1 . . . . -4 TYR CA . 18221 1 8 . 1 1 5 5 TYR N N 15 115.731 0.100 . 1 . . . . -4 TYR N . 18221 1 9 . 1 1 6 6 LYS H H 1 7.446 0.010 . 1 . . . . -3 LYS H . 18221 1 10 . 1 1 6 6 LYS C C 13 177.876 0.100 . 1 . . . . -3 LYS C . 18221 1 11 . 1 1 6 6 LYS CA C 13 56.565 0.100 . 1 . . . . -3 LYS CA . 18221 1 12 . 1 1 6 6 LYS CB C 13 31.625 0.100 . 1 . . . . -3 LYS CB . 18221 1 13 . 1 1 6 6 LYS N N 15 119.634 0.100 . 1 . . . . -3 LYS N . 18221 1 14 . 1 1 7 7 LYS H H 1 7.881 0.010 . 1 . . . . -2 LYS H . 18221 1 15 . 1 1 7 7 LYS C C 13 177.398 0.100 . 1 . . . . -2 LYS C . 18221 1 16 . 1 1 7 7 LYS CA C 13 56.641 0.100 . 1 . . . . -2 LYS CA . 18221 1 17 . 1 1 7 7 LYS CB C 13 31.625 0.100 . 1 . . . . -2 LYS CB . 18221 1 18 . 1 1 7 7 LYS N N 15 119.784 0.100 . 1 . . . . -2 LYS N . 18221 1 19 . 1 1 8 8 VAL H H 1 7.632 0.010 . 1 . . . . -1 VAL H . 18221 1 20 . 1 1 8 8 VAL HA H 1 4.019 0.010 . 1 . . . . -1 VAL HA . 18221 1 21 . 1 1 8 8 VAL HB H 1 2.164 0.010 . 1 . . . . -1 VAL HB . 18221 1 22 . 1 1 8 8 VAL HG11 H 1 0.949 0.010 . 2 . . . . -1 VAL HG . 18221 1 23 . 1 1 8 8 VAL HG12 H 1 0.949 0.010 . 2 . . . . -1 VAL HG . 18221 1 24 . 1 1 8 8 VAL HG13 H 1 0.949 0.010 . 2 . . . . -1 VAL HG . 18221 1 25 . 1 1 8 8 VAL HG21 H 1 0.949 0.010 . 2 . . . . -1 VAL HG . 18221 1 26 . 1 1 8 8 VAL HG22 H 1 0.949 0.010 . 2 . . . . -1 VAL HG . 18221 1 27 . 1 1 8 8 VAL HG23 H 1 0.949 0.010 . 2 . . . . -1 VAL HG . 18221 1 28 . 1 1 8 8 VAL C C 13 176.077 0.100 . 1 . . . . -1 VAL C . 18221 1 29 . 1 1 8 8 VAL CA C 13 62.656 0.100 . 1 . . . . -1 VAL CA . 18221 1 30 . 1 1 8 8 VAL CB C 13 31.404 0.100 . 1 . . . . -1 VAL CB . 18221 1 31 . 1 1 8 8 VAL N N 15 116.206 0.100 . 1 . . . . -1 VAL N . 18221 1 32 . 1 1 9 9 GLY H H 1 7.854 0.010 . 1 . . . . 0 GLY H . 18221 1 33 . 1 1 9 9 GLY HA2 H 1 3.855 0.010 . 2 . . . . 0 GLY HA2 . 18221 1 34 . 1 1 9 9 GLY HA3 H 1 4.019 0.010 . 2 . . . . 0 GLY HA3 . 18221 1 35 . 1 1 9 9 GLY C C 13 174.594 0.100 . 1 . . . . 0 GLY C . 18221 1 36 . 1 1 9 9 GLY CA C 13 45.655 0.100 . 1 . . . . 0 GLY CA . 18221 1 37 . 1 1 9 9 GLY N N 15 108.732 0.100 . 1 . . . . 0 GLY N . 18221 1 38 . 1 1 10 10 MET H H 1 7.866 0.010 . 1 . . . A 1 MET H . 18221 1 39 . 1 1 10 10 MET C C 13 176.857 0.100 . 1 . . . A 1 MET C . 18221 1 40 . 1 1 10 10 MET CA C 13 55.956 0.100 . 1 . . . A 1 MET CA . 18221 1 41 . 1 1 10 10 MET CB C 13 32.361 0.100 . 1 . . . A 1 MET CB . 18221 1 42 . 1 1 10 10 MET N N 15 119.382 0.100 . 1 . . . A 1 MET N . 18221 1 43 . 1 1 11 11 GLY H H 1 8.271 0.010 . 1 . . . A 2 GLY H . 18221 1 44 . 1 1 11 11 GLY HA2 H 1 3.861 0.010 . 2 . . . A 2 GLY HA2 . 18221 1 45 . 1 1 11 11 GLY HA3 H 1 3.861 0.010 . 2 . . . A 2 GLY HA3 . 18221 1 46 . 1 1 11 11 GLY C C 13 174.543 0.100 . 1 . . . A 2 GLY C . 18221 1 47 . 1 1 11 11 GLY CA C 13 45.695 0.100 . 1 . . . A 2 GLY CA . 18221 1 48 . 1 1 11 11 GLY N N 15 109.366 0.100 . 1 . . . A 2 GLY N . 18221 1 49 . 1 1 12 12 LYS H H 1 8.057 0.010 . 1 . . . A 3 LYS H . 18221 1 50 . 1 1 12 12 LYS HA H 1 4.132 0.010 . 1 . . . A 3 LYS HA . 18221 1 51 . 1 1 12 12 LYS HB2 H 1 1.757 0.010 . 2 . . . A 3 LYS HB2 . 18221 1 52 . 1 1 12 12 LYS HB3 H 1 1.757 0.010 . 2 . . . A 3 LYS HB3 . 18221 1 53 . 1 1 12 12 LYS C C 13 177.234 0.100 . 1 . . . A 3 LYS C . 18221 1 54 . 1 1 12 12 LYS CA C 13 56.812 0.100 . 1 . . . A 3 LYS CA . 18221 1 55 . 1 1 12 12 LYS CB C 13 31.846 0.100 . 1 . . . A 3 LYS CB . 18221 1 56 . 1 1 12 12 LYS CG C 13 23.911 0.100 . 1 . . . A 3 LYS CG . 18221 1 57 . 1 1 12 12 LYS N N 15 121.129 0.100 . 1 . . . A 3 LYS N . 18221 1 58 . 1 1 13 13 GLU H H 1 8.398 0.010 . 1 . . . A 4 GLU H . 18221 1 59 . 1 1 13 13 GLU HA H 1 4.155 0.010 . 1 . . . A 4 GLU HA . 18221 1 60 . 1 1 13 13 GLU HB2 H 1 1.939 0.010 . 2 . . . A 4 GLU HB2 . 18221 1 61 . 1 1 13 13 GLU HB3 H 1 2.059 0.010 . 2 . . . A 4 GLU HB3 . 18221 1 62 . 1 1 13 13 GLU HG2 H 1 2.273 0.010 . 2 . . . A 4 GLU HG2 . 18221 1 63 . 1 1 13 13 GLU HG3 H 1 2.273 0.010 . 2 . . . A 4 GLU HG3 . 18221 1 64 . 1 1 13 13 GLU C C 13 176.857 0.100 . 1 . . . A 4 GLU C . 18221 1 65 . 1 1 13 13 GLU CA C 13 56.871 0.100 . 1 . . . A 4 GLU CA . 18221 1 66 . 1 1 13 13 GLU CB C 13 28.388 0.100 . 1 . . . A 4 GLU CB . 18221 1 67 . 1 1 13 13 GLU CG C 13 34.766 0.100 . 1 . . . A 4 GLU CG . 18221 1 68 . 1 1 13 13 GLU N N 15 120.318 0.100 . 1 . . . A 4 GLU N . 18221 1 69 . 1 1 14 14 SER H H 1 8.089 0.010 . 1 . . . A 5 SER H . 18221 1 70 . 1 1 14 14 SER HA H 1 3.843 0.010 . 1 . . . A 5 SER HA . 18221 1 71 . 1 1 14 14 SER HB2 H 1 4.192 0.010 . 2 . . . A 5 SER HB2 . 18221 1 72 . 1 1 14 14 SER HB3 H 1 4.395 0.010 . 2 . . . A 5 SER HB3 . 18221 1 73 . 1 1 14 14 SER C C 13 175.337 0.100 . 1 . . . A 5 SER C . 18221 1 74 . 1 1 14 14 SER CA C 13 58.524 0.100 . 1 . . . A 5 SER CA . 18221 1 75 . 1 1 14 14 SER CB C 13 63.36 0.100 . 1 . . . A 5 SER CB . 18221 1 76 . 1 1 14 14 SER N N 15 115.504 0.100 . 1 . . . A 5 SER N . 18221 1 77 . 1 1 15 15 GLY H H 1 8.197 0.010 . 1 . . . A 6 GLY H . 18221 1 78 . 1 1 15 15 GLY HA2 H 1 3.898 0.010 . 2 . . . A 6 GLY HA2 . 18221 1 79 . 1 1 15 15 GLY HA3 H 1 3.898 0.010 . 2 . . . A 6 GLY HA3 . 18221 1 80 . 1 1 15 15 GLY C C 13 174.581 0.100 . 1 . . . A 6 GLY C . 18221 1 81 . 1 1 15 15 GLY CA C 13 45.566 0.100 . 1 . . . A 6 GLY CA . 18221 1 82 . 1 1 15 15 GLY N N 15 110.761 0.100 . 1 . . . A 6 GLY N . 18221 1 83 . 1 1 16 16 TRP H H 1 8.184 0.010 . 1 . . . A 7 TRP H . 18221 1 84 . 1 1 16 16 TRP HA H 1 4.56 0.010 . 1 . . . A 7 TRP HA . 18221 1 85 . 1 1 16 16 TRP HB2 H 1 3.19 0.010 . 2 . . . A 7 TRP HB2 . 18221 1 86 . 1 1 16 16 TRP HB3 H 1 3.309 0.010 . 2 . . . A 7 TRP HB3 . 18221 1 87 . 1 1 16 16 TRP HD1 H 1 7.227 0.010 . 1 . . . A 7 TRP HD1 . 18221 1 88 . 1 1 16 16 TRP C C 13 176.92 0.100 . 1 . . . A 7 TRP C . 18221 1 89 . 1 1 16 16 TRP CA C 13 58.081 0.100 . 1 . . . A 7 TRP CA . 18221 1 90 . 1 1 16 16 TRP CB C 13 28.679 0.100 . 1 . . . A 7 TRP CB . 18221 1 91 . 1 1 16 16 TRP N N 15 121.8 0.100 . 1 . . . A 7 TRP N . 18221 1 92 . 1 1 17 17 ASP H H 1 8.332 0.010 . 1 . . . A 8 ASP H . 18221 1 93 . 1 1 17 17 ASP HA H 1 4.395 0.010 . 1 . . . A 8 ASP HA . 18221 1 94 . 1 1 17 17 ASP HB2 H 1 2.647 0.010 . 2 . . . A 8 ASP HB2 . 18221 1 95 . 1 1 17 17 ASP HB3 H 1 2.647 0.010 . 2 . . . A 8 ASP HB3 . 18221 1 96 . 1 1 17 17 ASP C C 13 176.941 0.100 . 1 . . . A 8 ASP C . 18221 1 97 . 1 1 17 17 ASP CA C 13 56.244 0.100 . 1 . . . A 8 ASP CA . 18221 1 98 . 1 1 17 17 ASP CB C 13 39.945 0.100 . 1 . . . A 8 ASP CB . 18221 1 99 . 1 1 17 17 ASP N N 15 121.132 0.100 . 1 . . . A 8 ASP N . 18221 1 100 . 1 1 18 18 SER H H 1 8.129 0.010 . 1 . . . A 9 SER H . 18221 1 101 . 1 1 18 18 SER HA H 1 3.861 0.010 . 1 . . . A 9 SER HA . 18221 1 102 . 1 1 18 18 SER HB2 H 1 4.247 0.010 . 2 . . . A 9 SER HB2 . 18221 1 103 . 1 1 18 18 SER HB3 H 1 4.404 0.010 . 2 . . . A 9 SER HB3 . 18221 1 104 . 1 1 18 18 SER CA C 13 60.081 0.100 . 1 . . . A 9 SER CA . 18221 1 105 . 1 1 18 18 SER CB C 13 62.255 0.100 . 1 . . . A 9 SER CB . 18221 1 106 . 1 1 18 18 SER N N 15 116.148 0.100 . 1 . . . A 9 SER N . 18221 1 107 . 1 1 19 19 GLY H H 1 8.216 0.010 . 1 . . . A 10 GLY H . 18221 1 108 . 1 1 19 19 GLY HA2 H 1 3.627 0.010 . 2 . . . A 10 GLY HA2 . 18221 1 109 . 1 1 19 19 GLY HA3 H 1 3.87 0.010 . 2 . . . A 10 GLY HA3 . 18221 1 110 . 1 1 19 19 GLY C C 13 174.682 0.100 . 1 . . . A 10 GLY C . 18221 1 111 . 1 1 19 19 GLY CA C 13 46.6 0.100 . 1 . . . A 10 GLY CA . 18221 1 112 . 1 1 19 19 GLY N N 15 110.747 0.100 . 1 . . . A 10 GLY N . 18221 1 113 . 1 1 20 20 ARG H H 1 8.158 0.010 . 1 . . . A 11 ARG H . 18221 1 114 . 1 1 20 20 ARG HA H 1 3.857 0.010 . 1 . . . A 11 ARG HA . 18221 1 115 . 1 1 20 20 ARG HB2 H 1 1.792 0.010 . 2 . . . A 11 ARG HB2 . 18221 1 116 . 1 1 20 20 ARG HB3 H 1 1.792 0.010 . 2 . . . A 11 ARG HB3 . 18221 1 117 . 1 1 20 20 ARG C C 13 178.328 0.100 . 1 . . . A 11 ARG C . 18221 1 118 . 1 1 20 20 ARG CA C 13 59.085 0.100 . 1 . . . A 11 ARG CA . 18221 1 119 . 1 1 20 20 ARG CB C 13 29.047 0.100 . 1 . . . A 11 ARG CB . 18221 1 120 . 1 1 20 20 ARG N N 15 121.405 0.100 . 1 . . . A 11 ARG N . 18221 1 121 . 1 1 21 21 ALA H H 1 7.963 0.010 . 1 . . . A 12 ALA H . 18221 1 122 . 1 1 21 21 ALA HA H 1 4.1 0.010 . 1 . . . A 12 ALA HA . 18221 1 123 . 1 1 21 21 ALA HB1 H 1 1.488 0.010 . 1 . . . A 12 ALA HB1 . 18221 1 124 . 1 1 21 21 ALA HB2 H 1 1.488 0.010 . 1 . . . A 12 ALA HB2 . 18221 1 125 . 1 1 21 21 ALA HB3 H 1 1.488 0.010 . 1 . . . A 12 ALA HB3 . 18221 1 126 . 1 1 21 21 ALA C C 13 180.129 0.100 . 1 . . . A 12 ALA C . 18221 1 127 . 1 1 21 21 ALA CA C 13 54.392 0.100 . 1 . . . A 12 ALA CA . 18221 1 128 . 1 1 21 21 ALA CB C 13 17.414 0.100 . 1 . . . A 12 ALA CB . 18221 1 129 . 1 1 21 21 ALA N N 15 122.167 0.100 . 1 . . . A 12 ALA N . 18221 1 130 . 1 1 22 22 ALA H H 1 7.881 0.010 . 1 . . . A 13 ALA H . 18221 1 131 . 1 1 22 22 ALA HA H 1 4.037 0.010 . 1 . . . A 13 ALA HA . 18221 1 132 . 1 1 22 22 ALA HB1 H 1 1.448 0.010 . 1 . . . A 13 ALA HB1 . 18221 1 133 . 1 1 22 22 ALA HB2 H 1 1.448 0.010 . 1 . . . A 13 ALA HB2 . 18221 1 134 . 1 1 22 22 ALA HB3 H 1 1.448 0.010 . 1 . . . A 13 ALA HB3 . 18221 1 135 . 1 1 22 22 ALA C C 13 179.095 0.100 . 1 . . . A 13 ALA C . 18221 1 136 . 1 1 22 22 ALA CA C 13 54.716 0.100 . 1 . . . A 13 ALA CA . 18221 1 137 . 1 1 22 22 ALA CB C 13 17.561 0.100 . 1 . . . A 13 ALA CB . 18221 1 138 . 1 1 22 22 ALA N N 15 122.15 0.100 . 1 . . . A 13 ALA N . 18221 1 139 . 1 1 23 23 VAL H H 1 7.888 0.010 . 1 . . . A 14 VAL H . 18221 1 140 . 1 1 23 23 VAL HA H 1 3.48 0.010 . 1 . . . A 14 VAL HA . 18221 1 141 . 1 1 23 23 VAL HB H 1 2.123 0.010 . 1 . . . A 14 VAL HB . 18221 1 142 . 1 1 23 23 VAL HG11 H 1 0.909 0.010 . 2 . . . A 14 VAL HG11 . 18221 1 143 . 1 1 23 23 VAL HG12 H 1 0.909 0.010 . 2 . . . A 14 VAL HG12 . 18221 1 144 . 1 1 23 23 VAL HG13 H 1 0.909 0.010 . 2 . . . A 14 VAL HG13 . 18221 1 145 . 1 1 23 23 VAL HG21 H 1 1.038 0.010 . 2 . . . A 14 VAL HG21 . 18221 1 146 . 1 1 23 23 VAL HG22 H 1 1.038 0.010 . 2 . . . A 14 VAL HG22 . 18221 1 147 . 1 1 23 23 VAL HG23 H 1 1.038 0.010 . 2 . . . A 14 VAL HG23 . 18221 1 148 . 1 1 23 23 VAL C C 13 177.586 0.100 . 1 . . . A 14 VAL C . 18221 1 149 . 1 1 23 23 VAL CA C 13 66.198 0.100 . 1 . . . A 14 VAL CA . 18221 1 150 . 1 1 23 23 VAL CB C 13 30.52 0.100 . 1 . . . A 14 VAL CB . 18221 1 151 . 1 1 23 23 VAL CG1 C 13 20.996 0.100 . 2 . . . A 14 VAL CG1 . 18221 1 152 . 1 1 23 23 VAL CG2 C 13 22.425 0.100 . 2 . . . A 14 VAL CG2 . 18221 1 153 . 1 1 23 23 VAL N N 15 117.107 0.100 . 1 . . . A 14 VAL N . 18221 1 154 . 1 1 24 24 ALA H H 1 8.037 0.010 . 1 . . . A 15 ALA H . 18221 1 155 . 1 1 24 24 ALA HA H 1 3.981 0.010 . 1 . . . A 15 ALA HA . 18221 1 156 . 1 1 24 24 ALA HB1 H 1 1.452 0.010 . 1 . . . A 15 ALA HB1 . 18221 1 157 . 1 1 24 24 ALA HB2 H 1 1.452 0.010 . 1 . . . A 15 ALA HB2 . 18221 1 158 . 1 1 24 24 ALA HB3 H 1 1.452 0.010 . 1 . . . A 15 ALA HB3 . 18221 1 159 . 1 1 24 24 ALA C C 13 180.373 0.100 . 1 . . . A 15 ALA C . 18221 1 160 . 1 1 24 24 ALA CA C 13 55.011 0.100 . 1 . . . A 15 ALA CA . 18221 1 161 . 1 1 24 24 ALA CB C 13 17.252 0.100 . 1 . . . A 15 ALA CB . 18221 1 162 . 1 1 24 24 ALA N N 15 121.333 0.100 . 1 . . . A 15 ALA N . 18221 1 163 . 1 1 25 25 ALA H H 1 7.819 0.010 . 1 . . . A 16 ALA H . 18221 1 164 . 1 1 25 25 ALA HA H 1 4.146 0.010 . 1 . . . A 16 ALA HA . 18221 1 165 . 1 1 25 25 ALA HB1 H 1 1.488 0.010 . 1 . . . A 16 ALA HB1 . 18221 1 166 . 1 1 25 25 ALA HB2 H 1 1.488 0.010 . 1 . . . A 16 ALA HB2 . 18221 1 167 . 1 1 25 25 ALA HB3 H 1 1.488 0.010 . 1 . . . A 16 ALA HB3 . 18221 1 168 . 1 1 25 25 ALA C C 13 179.828 0.100 . 1 . . . A 16 ALA C . 18221 1 169 . 1 1 25 25 ALA CA C 13 54.451 0.100 . 1 . . . A 16 ALA CA . 18221 1 170 . 1 1 25 25 ALA CB C 13 17.487 0.100 . 1 . . . A 16 ALA CB . 18221 1 171 . 1 1 25 25 ALA N N 15 121.158 0.100 . 1 . . . A 16 ALA N . 18221 1 172 . 1 1 26 26 VAL H H 1 7.848 0.010 . 1 . . . A 17 VAL H . 18221 1 173 . 1 1 26 26 VAL HA H 1 3.778 0.010 . 1 . . . A 17 VAL HA . 18221 1 174 . 1 1 26 26 VAL HB H 1 2.235 0.010 . 1 . . . A 17 VAL HB . 18221 1 175 . 1 1 26 26 VAL HG11 H 1 1.041 0.010 . 2 . . . A 17 VAL HG11 . 18221 1 176 . 1 1 26 26 VAL HG12 H 1 1.041 0.010 . 2 . . . A 17 VAL HG12 . 18221 1 177 . 1 1 26 26 VAL HG13 H 1 1.041 0.010 . 2 . . . A 17 VAL HG13 . 18221 1 178 . 1 1 26 26 VAL HG21 H 1 1.041 0.010 . 2 . . . A 17 VAL HG21 . 18221 1 179 . 1 1 26 26 VAL HG22 H 1 1.041 0.010 . 2 . . . A 17 VAL HG22 . 18221 1 180 . 1 1 26 26 VAL HG23 H 1 1.041 0.010 . 2 . . . A 17 VAL HG23 . 18221 1 181 . 1 1 26 26 VAL C C 13 178.02 0.100 . 1 . . . A 17 VAL C . 18221 1 182 . 1 1 26 26 VAL CA C 13 65.578 0.100 . 1 . . . A 17 VAL CA . 18221 1 183 . 1 1 26 26 VAL CB C 13 31.085 0.100 . 1 . . . A 17 VAL CB . 18221 1 184 . 1 1 26 26 VAL N N 15 118.417 0.100 . 1 . . . A 17 VAL N . 18221 1 185 . 1 1 27 27 VAL H H 1 8.377 0.010 . 1 . . . A 18 VAL H . 18221 1 186 . 1 1 27 27 VAL C C 13 177.719 0.100 . 1 . . . A 18 VAL C . 18221 1 187 . 1 1 27 27 VAL CA C 13 65.991 0.100 . 1 . . . A 18 VAL CA . 18221 1 188 . 1 1 27 27 VAL CB C 13 30.187 0.100 . 1 . . . A 18 VAL CB . 18221 1 189 . 1 1 27 27 VAL CG1 C 13 21.286 0.100 . 2 . . . A 18 VAL CG1 . 18221 1 190 . 1 1 27 27 VAL CG2 C 13 22.323 0.100 . 2 . . . A 18 VAL CG2 . 18221 1 191 . 1 1 27 27 VAL N N 15 119.24 0.100 . 1 . . . A 18 VAL N . 18221 1 192 . 1 1 28 28 GLY H H 1 8.122 0.010 . 1 . . . A 19 GLY H . 18221 1 193 . 1 1 28 28 GLY HA2 H 1 3.886 0.010 . 2 . . . A 19 GLY HA2 . 18221 1 194 . 1 1 28 28 GLY HA3 H 1 3.886 0.010 . 2 . . . A 19 GLY HA3 . 18221 1 195 . 1 1 28 28 GLY C C 13 176.212 0.100 . 1 . . . A 19 GLY C . 18221 1 196 . 1 1 28 28 GLY CA C 13 46.244 0.100 . 1 . . . A 19 GLY CA . 18221 1 197 . 1 1 28 28 GLY N N 15 106.009 0.100 . 1 . . . A 19 GLY N . 18221 1 198 . 1 1 29 29 GLY H H 1 8.039 0.010 . 1 . . . A 20 GLY H . 18221 1 199 . 1 1 29 29 GLY HA2 H 1 3.765 0.010 . 2 . . . A 20 GLY HA2 . 18221 1 200 . 1 1 29 29 GLY HA3 H 1 4.007 0.010 . 2 . . . A 20 GLY HA3 . 18221 1 201 . 1 1 29 29 GLY C C 13 174.097 0.100 . 1 . . . A 20 GLY C . 18221 1 202 . 1 1 29 29 GLY CA C 13 46.334 0.100 . 1 . . . A 20 GLY CA . 18221 1 203 . 1 1 29 29 GLY N N 15 110.216 0.100 . 1 . . . A 20 GLY N . 18221 1 204 . 1 1 30 30 VAL H H 1 7.983 0.010 . 1 . . . A 21 VAL H . 18221 1 205 . 1 1 30 30 VAL C C 13 177.073 0.100 . 1 . . . A 21 VAL C . 18221 1 206 . 1 1 30 30 VAL CA C 13 62.574 0.100 . 1 . . . A 21 VAL CA . 18221 1 207 . 1 1 30 30 VAL CB C 13 30.79 0.100 . 1 . . . A 21 VAL CB . 18221 1 208 . 1 1 30 30 VAL N N 15 121.188 0.100 . 1 . . . A 21 VAL N . 18221 1 209 . 1 1 32 32 ALA H H 1 8.036 0.010 . 1 . . . A 23 ALA H . 18221 1 210 . 1 1 32 32 ALA HA H 1 4.26 0.010 . 1 . . . A 23 ALA HA . 18221 1 211 . 1 1 32 32 ALA HB1 H 1 1.499 0.010 . 1 . . . A 23 ALA HB1 . 18221 1 212 . 1 1 32 32 ALA HB2 H 1 1.499 0.010 . 1 . . . A 23 ALA HB2 . 18221 1 213 . 1 1 32 32 ALA HB3 H 1 1.499 0.010 . 1 . . . A 23 ALA HB3 . 18221 1 214 . 1 1 32 32 ALA C C 13 179.523 0.100 . 1 . . . A 23 ALA C . 18221 1 215 . 1 1 32 32 ALA CA C 13 53.683 0.100 . 1 . . . A 23 ALA CA . 18221 1 216 . 1 1 32 32 ALA CB C 13 16.383 0.100 . 1 . . . A 23 ALA CB . 18221 1 217 . 1 1 32 32 ALA N N 15 125.091 0.100 . 1 . . . A 23 ALA N . 18221 1 218 . 1 1 33 33 VAL H H 1 8.195 0.010 . 1 . . . A 24 VAL H . 18221 1 219 . 1 1 33 33 VAL HA H 1 3.708 0.010 . 1 . . . A 24 VAL HA . 18221 1 220 . 1 1 33 33 VAL HB H 1 2.201 0.010 . 1 . . . A 24 VAL HB . 18221 1 221 . 1 1 33 33 VAL HG11 H 1 0.925 0.010 . 2 . . . A 24 VAL HG11 . 18221 1 222 . 1 1 33 33 VAL HG12 H 1 0.925 0.010 . 2 . . . A 24 VAL HG12 . 18221 1 223 . 1 1 33 33 VAL HG13 H 1 0.925 0.010 . 2 . . . A 24 VAL HG13 . 18221 1 224 . 1 1 33 33 VAL HG21 H 1 1.058 0.010 . 2 . . . A 24 VAL HG21 . 18221 1 225 . 1 1 33 33 VAL HG22 H 1 1.058 0.010 . 2 . . . A 24 VAL HG22 . 18221 1 226 . 1 1 33 33 VAL HG23 H 1 1.058 0.010 . 2 . . . A 24 VAL HG23 . 18221 1 227 . 1 1 33 33 VAL C C 13 177.901 0.100 . 1 . . . A 24 VAL C . 18221 1 228 . 1 1 33 33 VAL CA C 13 65.43 0.100 . 1 . . . A 24 VAL CA . 18221 1 229 . 1 1 33 33 VAL CB C 13 31.318 0.100 . 1 . . . A 24 VAL CB . 18221 1 230 . 1 1 33 33 VAL CG1 C 13 20.912 0.100 . 2 . . . A 24 VAL CG1 . 18221 1 231 . 1 1 33 33 VAL CG2 C 13 22.013 0.100 . 2 . . . A 24 VAL CG2 . 18221 1 232 . 1 1 33 33 VAL N N 15 118.793 0.100 . 1 . . . A 24 VAL N . 18221 1 233 . 1 1 34 34 GLY H H 1 8.651 0.010 . 1 . . . A 25 GLY H . 18221 1 234 . 1 1 34 34 GLY HA2 H 1 3.706 0.010 . 2 . . . A 25 GLY HA2 . 18221 1 235 . 1 1 34 34 GLY HA3 H 1 3.901 0.010 . 2 . . . A 25 GLY HA3 . 18221 1 236 . 1 1 34 34 GLY C C 13 175.424 0.100 . 1 . . . A 25 GLY C . 18221 1 237 . 1 1 34 34 GLY CA C 13 47.334 0.100 . 1 . . . A 25 GLY CA . 18221 1 238 . 1 1 34 34 GLY N N 15 108.367 0.100 . 1 . . . A 25 GLY N . 18221 1 239 . 1 1 35 35 THR H H 1 7.975 0.010 . 1 . . . A 26 THR H . 18221 1 240 . 1 1 35 35 THR C C 13 176.843 0.100 . 1 . . . A 26 THR C . 18221 1 241 . 1 1 35 35 THR CA C 13 65.962 0.100 . 1 . . . A 26 THR CA . 18221 1 242 . 1 1 35 35 THR CB C 13 68.414 0.100 . 1 . . . A 26 THR CB . 18221 1 243 . 1 1 35 35 THR N N 15 116.448 0.100 . 1 . . . A 26 THR N . 18221 1 244 . 1 1 36 36 VAL H H 1 7.559 0.010 . 1 . . . A 27 VAL H . 18221 1 245 . 1 1 36 36 VAL HA H 1 3.719 0.010 . 1 . . . A 27 VAL HA . 18221 1 246 . 1 1 36 36 VAL HB H 1 2.294 0.010 . 1 . . . A 27 VAL HB . 18221 1 247 . 1 1 36 36 VAL HG11 H 1 0.934 0.010 . 2 . . . A 27 VAL HG11 . 18221 1 248 . 1 1 36 36 VAL HG12 H 1 0.934 0.010 . 2 . . . A 27 VAL HG12 . 18221 1 249 . 1 1 36 36 VAL HG13 H 1 0.934 0.010 . 2 . . . A 27 VAL HG13 . 18221 1 250 . 1 1 36 36 VAL HG21 H 1 1.064 0.010 . 2 . . . A 27 VAL HG21 . 18221 1 251 . 1 1 36 36 VAL HG22 H 1 1.064 0.010 . 2 . . . A 27 VAL HG22 . 18221 1 252 . 1 1 36 36 VAL HG23 H 1 1.064 0.010 . 2 . . . A 27 VAL HG23 . 18221 1 253 . 1 1 36 36 VAL C C 13 177.618 0.100 . 1 . . . A 27 VAL C . 18221 1 254 . 1 1 36 36 VAL CA C 13 65.726 0.100 . 1 . . . A 27 VAL CA . 18221 1 255 . 1 1 36 36 VAL CB C 13 30.667 0.100 . 1 . . . A 27 VAL CB . 18221 1 256 . 1 1 36 36 VAL CG1 C 13 21.202 0.100 . 2 . . . A 27 VAL CG1 . 18221 1 257 . 1 1 36 36 VAL CG2 C 13 22.183 0.100 . 2 . . . A 27 VAL CG2 . 18221 1 258 . 1 1 36 36 VAL N N 15 122.81 0.100 . 1 . . . A 27 VAL N . 18221 1 259 . 1 1 37 37 LEU H H 1 8.086 0.010 . 1 . . . A 28 LEU H . 18221 1 260 . 1 1 37 37 LEU HA H 1 3.953 0.010 . 1 . . . A 28 LEU HA . 18221 1 261 . 1 1 37 37 LEU HB2 H 1 1.902 0.010 . 2 . . . A 28 LEU HB2 . 18221 1 262 . 1 1 37 37 LEU HB3 H 1 1.902 0.010 . 2 . . . A 28 LEU HB3 . 18221 1 263 . 1 1 37 37 LEU C C 13 179.666 0.100 . 1 . . . A 28 LEU C . 18221 1 264 . 1 1 37 37 LEU CA C 13 57.845 0.100 . 1 . . . A 28 LEU CA . 18221 1 265 . 1 1 37 37 LEU CB C 13 40.166 0.100 . 1 . . . A 28 LEU CB . 18221 1 266 . 1 1 37 37 LEU CG C 13 25.765 0.100 . 1 . . . A 28 LEU CG . 18221 1 267 . 1 1 37 37 LEU N N 15 119.566 0.100 . 1 . . . A 28 LEU N . 18221 1 268 . 1 1 38 38 VAL H H 1 8.066 0.010 . 1 . . . A 29 VAL H . 18221 1 269 . 1 1 38 38 VAL HA H 1 3.653 0.010 . 1 . . . A 29 VAL HA . 18221 1 270 . 1 1 38 38 VAL HB H 1 2.144 0.010 . 1 . . . A 29 VAL HB . 18221 1 271 . 1 1 38 38 VAL HG21 H 1 1.044 0.010 . 2 . . . A 29 VAL HG21 . 18221 1 272 . 1 1 38 38 VAL HG22 H 1 1.044 0.010 . 2 . . . A 29 VAL HG22 . 18221 1 273 . 1 1 38 38 VAL HG23 H 1 1.044 0.010 . 2 . . . A 29 VAL HG23 . 18221 1 274 . 1 1 38 38 VAL C C 13 178.639 0.100 . 1 . . . A 29 VAL C . 18221 1 275 . 1 1 38 38 VAL CA C 13 65.473 0.100 . 1 . . . A 29 VAL CA . 18221 1 276 . 1 1 38 38 VAL CB C 13 30.609 0.100 . 1 . . . A 29 VAL CB . 18221 1 277 . 1 1 38 38 VAL CG1 C 13 20.598 0.100 . 2 . . . A 29 VAL CG1 . 18221 1 278 . 1 1 38 38 VAL CG2 C 13 22.15 0.100 . 2 . . . A 29 VAL CG2 . 18221 1 279 . 1 1 38 38 VAL N N 15 119.468 0.100 . 1 . . . A 29 VAL N . 18221 1 280 . 1 1 39 39 ALA H H 1 7.688 0.010 . 1 . . . A 30 ALA H . 18221 1 281 . 1 1 39 39 ALA HA H 1 4.165 0.010 . 1 . . . A 30 ALA HA . 18221 1 282 . 1 1 39 39 ALA HB1 H 1 1.507 0.010 . 1 . . . A 30 ALA HB1 . 18221 1 283 . 1 1 39 39 ALA HB2 H 1 1.507 0.010 . 1 . . . A 30 ALA HB2 . 18221 1 284 . 1 1 39 39 ALA HB3 H 1 1.507 0.010 . 1 . . . A 30 ALA HB3 . 18221 1 285 . 1 1 39 39 ALA C C 13 180.303 0.100 . 1 . . . A 30 ALA C . 18221 1 286 . 1 1 39 39 ALA CA C 13 54.834 0.100 . 1 . . . A 30 ALA CA . 18221 1 287 . 1 1 39 39 ALA CB C 13 17.708 0.100 . 1 . . . A 30 ALA CB . 18221 1 288 . 1 1 39 39 ALA N N 15 124.255 0.100 . 1 . . . A 30 ALA N . 18221 1 289 . 1 1 40 40 LEU H H 1 8.326 0.010 . 1 . . . A 31 LEU H . 18221 1 290 . 1 1 40 40 LEU HA H 1 4.141 0.010 . 1 . . . A 31 LEU HA . 18221 1 291 . 1 1 40 40 LEU HB2 H 1 1.902 0.010 . 2 . . . A 31 LEU HB2 . 18221 1 292 . 1 1 40 40 LEU HB3 H 1 1.902 0.010 . 2 . . . A 31 LEU HB3 . 18221 1 293 . 1 1 40 40 LEU HD11 H 1 0.828 0.010 . 2 . . . A 31 LEU HD11 . 18221 1 294 . 1 1 40 40 LEU HD12 H 1 0.828 0.010 . 2 . . . A 31 LEU HD12 . 18221 1 295 . 1 1 40 40 LEU HD13 H 1 0.828 0.010 . 2 . . . A 31 LEU HD13 . 18221 1 296 . 1 1 40 40 LEU HD21 H 1 0.828 0.010 . 2 . . . A 31 LEU HD21 . 18221 1 297 . 1 1 40 40 LEU HD22 H 1 0.828 0.010 . 2 . . . A 31 LEU HD22 . 18221 1 298 . 1 1 40 40 LEU HD23 H 1 0.828 0.010 . 2 . . . A 31 LEU HD23 . 18221 1 299 . 1 1 40 40 LEU C C 13 179.271 0.100 . 1 . . . A 31 LEU C . 18221 1 300 . 1 1 40 40 LEU CA C 13 57.078 0.100 . 1 . . . A 31 LEU CA . 18221 1 301 . 1 1 40 40 LEU CB C 13 40.902 0.100 . 1 . . . A 31 LEU CB . 18221 1 302 . 1 1 40 40 LEU CG C 13 25.656 0.100 . 1 . . . A 31 LEU CG . 18221 1 303 . 1 1 40 40 LEU CD1 C 13 22.980 0.100 . 2 . . . A 31 LEU CD1 . 18221 1 304 . 1 1 40 40 LEU CD2 C 13 21.881 0.100 . 2 . . . A 31 LEU CD2 . 18221 1 305 . 1 1 40 40 LEU N N 15 118.268 0.100 . 1 . . . A 31 LEU N . 18221 1 306 . 1 1 41 41 SER H H 1 8.062 0.010 . 1 . . . A 32 SER H . 18221 1 307 . 1 1 41 41 SER HA H 1 3.952 0.010 . 1 . . . A 32 SER HA . 18221 1 308 . 1 1 41 41 SER HB2 H 1 4.128 0.010 . 2 . . . A 32 SER HB2 . 18221 1 309 . 1 1 41 41 SER HB3 H 1 4.128 0.010 . 2 . . . A 32 SER HB3 . 18221 1 310 . 1 1 41 41 SER C C 13 176.284 0.100 . 1 . . . A 32 SER C . 18221 1 311 . 1 1 41 41 SER CA C 13 60.885 0.100 . 1 . . . A 32 SER CA . 18221 1 312 . 1 1 41 41 SER CB C 13 62.41 0.100 . 1 . . . A 32 SER CB . 18221 1 313 . 1 1 41 41 SER N N 15 114.984 0.100 . 1 . . . A 32 SER N . 18221 1 314 . 1 1 42 42 ALA H H 1 7.813 0.010 . 1 . . . A 33 ALA H . 18221 1 315 . 1 1 42 42 ALA HA H 1 4.225 0.010 . 1 . . . A 33 ALA HA . 18221 1 316 . 1 1 42 42 ALA HB1 H 1 1.489 0.010 . 1 . . . A 33 ALA HB1 . 18221 1 317 . 1 1 42 42 ALA HB2 H 1 1.489 0.010 . 1 . . . A 33 ALA HB2 . 18221 1 318 . 1 1 42 42 ALA HB3 H 1 1.489 0.010 . 1 . . . A 33 ALA HB3 . 18221 1 319 . 1 1 42 42 ALA C C 13 179.033 0.100 . 1 . . . A 33 ALA C . 18221 1 320 . 1 1 42 42 ALA CA C 13 53.713 0.100 . 1 . . . A 33 ALA CA . 18221 1 321 . 1 1 42 42 ALA CB C 13 17.929 0.100 . 1 . . . A 33 ALA CB . 18221 1 322 . 1 1 42 42 ALA N N 15 124.588 0.100 . 1 . . . A 33 ALA N . 18221 1 323 . 1 1 43 43 MET H H 1 7.691 0.010 . 1 . . . A 34 MET H . 18221 1 324 . 1 1 43 43 MET HA H 1 4.285 0.010 . 1 . . . A 34 MET HA . 18221 1 325 . 1 1 43 43 MET HB2 H 1 2.107 0.010 . 2 . . . A 34 MET HB2 . 18221 1 326 . 1 1 43 43 MET HB3 H 1 2.107 0.010 . 2 . . . A 34 MET HB3 . 18221 1 327 . 1 1 43 43 MET HG2 H 1 2.578 0.010 . 2 . . . A 34 MET HG2 . 18221 1 328 . 1 1 43 43 MET HG3 H 1 2.706 0.010 . 2 . . . A 34 MET HG3 . 18221 1 329 . 1 1 43 43 MET C C 13 176.807 0.100 . 1 . . . A 34 MET C . 18221 1 330 . 1 1 43 43 MET CA C 13 56.576 0.100 . 1 . . . A 34 MET CA . 18221 1 331 . 1 1 43 43 MET CB C 13 32.435 0.100 . 1 . . . A 34 MET CB . 18221 1 332 . 1 1 43 43 MET CG C 13 32.903 0.100 . 1 . . . A 34 MET CG . 18221 1 333 . 1 1 43 43 MET CE C 13 16.974 0.100 . 1 . . . A 34 MET CE . 18221 1 334 . 1 1 43 43 MET N N 15 116.808 0.100 . 1 . . . A 34 MET N . 18221 1 335 . 1 1 44 44 GLY H H 1 7.793 0.010 . 1 . . . A 35 GLY H . 18221 1 336 . 1 1 44 44 GLY HA2 H 1 3.795 0.010 . 2 . . . A 35 GLY HA2 . 18221 1 337 . 1 1 44 44 GLY HA3 H 1 4.089 0.010 . 2 . . . A 35 GLY HA3 . 18221 1 338 . 1 1 44 44 GLY C C 13 174.493 0.100 . 1 . . . A 35 GLY C . 18221 1 339 . 1 1 44 44 GLY CA C 13 45.065 0.100 . 1 . . . A 35 GLY CA . 18221 1 340 . 1 1 44 44 GLY N N 15 107.02 0.100 . 1 . . . A 35 GLY N . 18221 1 341 . 1 1 45 45 PHE H H 1 8.215 0.010 . 1 . . . A 36 PHE H . 18221 1 342 . 1 1 45 45 PHE HA H 1 4.507 0.010 . 1 . . . A 36 PHE HA . 18221 1 343 . 1 1 45 45 PHE HB2 H 1 3.016 0.010 . 2 . . . A 36 PHE HB2 . 18221 1 344 . 1 1 45 45 PHE HB3 H 1 3.111 0.010 . 2 . . . A 36 PHE HB3 . 18221 1 345 . 1 1 45 45 PHE C C 13 176.876 0.100 . 1 . . . A 36 PHE C . 18221 1 346 . 1 1 45 45 PHE CA C 13 58.937 0.100 . 1 . . . A 36 PHE CA . 18221 1 347 . 1 1 45 45 PHE CB C 13 38.178 0.100 . 1 . . . A 36 PHE CB . 18221 1 348 . 1 1 45 45 PHE N N 15 120.285 0.100 . 1 . . . A 36 PHE N . 18221 1 349 . 1 1 46 46 THR H H 1 8.111 0.010 . 1 . . . A 37 THR H . 18221 1 350 . 1 1 46 46 THR HA H 1 4.08 0.010 . 1 . . . A 37 THR HA . 18221 1 351 . 1 1 46 46 THR HB H 1 4.289 0.010 . 1 . . . A 37 THR HB . 18221 1 352 . 1 1 46 46 THR HG21 H 1 1.23 0.010 . 1 . . . A 37 THR HG21 . 18221 1 353 . 1 1 46 46 THR HG22 H 1 1.23 0.010 . 1 . . . A 37 THR HG22 . 18221 1 354 . 1 1 46 46 THR HG23 H 1 1.23 0.010 . 1 . . . A 37 THR HG23 . 18221 1 355 . 1 1 46 46 THR C C 13 175.751 0.100 . 1 . . . A 37 THR C . 18221 1 356 . 1 1 46 46 THR CA C 13 64.22 0.100 . 1 . . . A 37 THR CA . 18221 1 357 . 1 1 46 46 THR CB C 13 68.514 0.100 . 1 . . . A 37 THR CB . 18221 1 358 . 1 1 46 46 THR CG2 C 13 21.126 0.100 . 1 . . . A 37 THR CG2 . 18221 1 359 . 1 1 46 46 THR N N 15 114.008 0.100 . 1 . . . A 37 THR N . 18221 1 360 . 1 1 47 47 SER H H 1 8.079 0.010 . 1 . . . A 38 SER H . 18221 1 361 . 1 1 47 47 SER HA H 1 3.918 0.010 . 1 . . . A 38 SER HA . 18221 1 362 . 1 1 47 47 SER HB2 H 1 4.298 0.010 . 2 . . . A 38 SER HB2 . 18221 1 363 . 1 1 47 47 SER HB3 H 1 4.298 0.010 . 2 . . . A 38 SER HB3 . 18221 1 364 . 1 1 47 47 SER C C 13 176.744 0.100 . 1 . . . A 38 SER C . 18221 1 365 . 1 1 47 47 SER CA C 13 59.911 0.100 . 1 . . . A 38 SER CA . 18221 1 366 . 1 1 47 47 SER CB C 13 62.624 0.100 . 1 . . . A 38 SER CB . 18221 1 367 . 1 1 47 47 SER N N 15 116.646 0.100 . 1 . . . A 38 SER N . 18221 1 368 . 1 1 48 48 VAL H H 1 7.985 0.010 . 1 . . . A 39 VAL H . 18221 1 369 . 1 1 48 48 VAL HA H 1 3.909 0.010 . 1 . . . A 39 VAL HA . 18221 1 370 . 1 1 48 48 VAL HB H 1 2.152 0.010 . 1 . . . A 39 VAL HB . 18221 1 371 . 1 1 48 48 VAL HG11 H 1 1.022 0.010 . 2 . . . A 39 VAL HG11 . 18221 1 372 . 1 1 48 48 VAL HG12 H 1 1.022 0.010 . 2 . . . A 39 VAL HG12 . 18221 1 373 . 1 1 48 48 VAL HG13 H 1 1.022 0.010 . 2 . . . A 39 VAL HG13 . 18221 1 374 . 1 1 48 48 VAL HG21 H 1 1.022 0.010 . 2 . . . A 39 VAL HG21 . 18221 1 375 . 1 1 48 48 VAL HG22 H 1 1.022 0.010 . 2 . . . A 39 VAL HG22 . 18221 1 376 . 1 1 48 48 VAL HG23 H 1 1.022 0.010 . 2 . . . A 39 VAL HG23 . 18221 1 377 . 1 1 48 48 VAL C C 13 177.033 0.100 . 1 . . . A 39 VAL C . 18221 1 378 . 1 1 48 48 VAL CA C 13 64.988 0.100 . 1 . . . A 39 VAL CA . 18221 1 379 . 1 1 48 48 VAL CB C 13 30.667 0.100 . 1 . . . A 39 VAL CB . 18221 1 380 . 1 1 48 48 VAL CG1 C 13 20.975 0.100 . 2 . . . A 39 VAL CG1 . 18221 1 381 . 1 1 48 48 VAL CG2 C 13 21.956 0.100 . 2 . . . A 39 VAL CG2 . 18221 1 382 . 1 1 48 48 VAL N N 15 121.929 0.100 . 1 . . . A 39 VAL N . 18221 1 383 . 1 1 49 49 GLY H H 1 8.267 0.010 . 1 . . . A 40 GLY H . 18221 1 384 . 1 1 49 49 GLY HA2 H 1 3.738 0.010 . 2 . . . A 40 GLY HA2 . 18221 1 385 . 1 1 49 49 GLY HA3 H 1 3.909 0.010 . 2 . . . A 40 GLY HA3 . 18221 1 386 . 1 1 49 49 GLY C C 13 176.038 0.100 . 1 . . . A 40 GLY C . 18221 1 387 . 1 1 49 49 GLY CA C 13 46.865 0.100 . 1 . . . A 40 GLY CA . 18221 1 388 . 1 1 49 49 GLY N N 15 108.633 0.100 . 1 . . . A 40 GLY N . 18221 1 389 . 1 1 50 50 ILE H H 1 7.865 0.010 . 1 . . . A 41 ILE H . 18221 1 390 . 1 1 50 50 ILE HA H 1 3.871 0.010 . 1 . . . A 41 ILE HA . 18221 1 391 . 1 1 50 50 ILE HB H 1 1.848 0.010 . 1 . . . A 41 ILE HB . 18221 1 392 . 1 1 50 50 ILE HD11 H 1 0.908 0.010 . 1 . . . A 41 ILE HD11 . 18221 1 393 . 1 1 50 50 ILE HD12 H 1 0.908 0.010 . 1 . . . A 41 ILE HD12 . 18221 1 394 . 1 1 50 50 ILE HD13 H 1 0.908 0.010 . 1 . . . A 41 ILE HD13 . 18221 1 395 . 1 1 50 50 ILE C C 13 178.363 0.100 . 1 . . . A 41 ILE C . 18221 1 396 . 1 1 50 50 ILE CA C 13 63.515 0.100 . 1 . . . A 41 ILE CA . 18221 1 397 . 1 1 50 50 ILE CB C 13 37.238 0.100 . 1 . . . A 41 ILE CB . 18221 1 398 . 1 1 50 50 ILE CG1 C 13 27.77 0.100 . 1 . . . A 41 ILE CG1 . 18221 1 399 . 1 1 50 50 ILE CG2 C 13 16.294 0.100 . 1 . . . A 41 ILE CG2 . 18221 1 400 . 1 1 50 50 ILE CD1 C 13 12.217 0.100 . 1 . . . A 41 ILE CD1 . 18221 1 401 . 1 1 50 50 ILE N N 15 122.466 0.100 . 1 . . . A 41 ILE N . 18221 1 402 . 1 1 51 51 ALA H H 1 7.93 0.010 . 1 . . . A 42 ALA H . 18221 1 403 . 1 1 51 51 ALA HA H 1 4.099 0.010 . 1 . . . A 42 ALA HA . 18221 1 404 . 1 1 51 51 ALA HB1 H 1 1.439 0.010 . 1 . . . A 42 ALA HB1 . 18221 1 405 . 1 1 51 51 ALA HB2 H 1 1.439 0.010 . 1 . . . A 42 ALA HB2 . 18221 1 406 . 1 1 51 51 ALA HB3 H 1 1.439 0.010 . 1 . . . A 42 ALA HB3 . 18221 1 407 . 1 1 51 51 ALA C C 13 179.385 0.100 . 1 . . . A 42 ALA C . 18221 1 408 . 1 1 51 51 ALA CA C 13 54.48 0.100 . 1 . . . A 42 ALA CA . 18221 1 409 . 1 1 51 51 ALA CB C 13 17.487 0.100 . 1 . . . A 42 ALA CB . 18221 1 410 . 1 1 51 51 ALA N N 15 125.064 0.100 . 1 . . . A 42 ALA N . 18221 1 411 . 1 1 52 52 ALA H H 1 8.639 0.010 . 1 . . . A 43 ALA H . 18221 1 412 . 1 1 52 52 ALA HA H 1 3.937 0.010 . 1 . . . A 43 ALA HA . 18221 1 413 . 1 1 52 52 ALA HB1 H 1 1.439 0.010 . 1 . . . A 43 ALA HB1 . 18221 1 414 . 1 1 52 52 ALA HB2 H 1 1.439 0.010 . 1 . . . A 43 ALA HB2 . 18221 1 415 . 1 1 52 52 ALA HB3 H 1 1.439 0.010 . 1 . . . A 43 ALA HB3 . 18221 1 416 . 1 1 52 52 ALA C C 13 179.088 0.100 . 1 . . . A 43 ALA C . 18221 1 417 . 1 1 52 52 ALA CA C 13 55.1 0.100 . 1 . . . A 43 ALA CA . 18221 1 418 . 1 1 52 52 ALA CB C 13 17.635 0.100 . 1 . . . A 43 ALA CB . 18221 1 419 . 1 1 52 52 ALA N N 15 120.594 0.100 . 1 . . . A 43 ALA N . 18221 1 420 . 1 1 53 53 SER H H 1 8.193 0.010 . 1 . . . A 44 SER H . 18221 1 421 . 1 1 53 53 SER HA H 1 3.966 0.010 . 1 . . . A 44 SER HA . 18221 1 422 . 1 1 53 53 SER HB2 H 1 4.07 0.010 . 2 . . . A 44 SER HB2 . 18221 1 423 . 1 1 53 53 SER HB3 H 1 4.07 0.010 . 2 . . . A 44 SER HB3 . 18221 1 424 . 1 1 53 53 SER C C 13 176.898 0.100 . 1 . . . A 44 SER C . 18221 1 425 . 1 1 53 53 SER CA C 13 61.139 0.100 . 1 . . . A 44 SER CA . 18221 1 426 . 1 1 53 53 SER CB C 13 62.347 0.100 . 1 . . . A 44 SER CB . 18221 1 427 . 1 1 53 53 SER N N 15 113.012 0.100 . 1 . . . A 44 SER N . 18221 1 428 . 1 1 54 54 SER H H 1 7.944 0.010 . 1 . . . A 45 SER H . 18221 1 429 . 1 1 54 54 SER HA H 1 3.975 0.010 . 1 . . . A 45 SER HA . 18221 1 430 . 1 1 54 54 SER HB2 H 1 4.07 0.010 . 2 . . . A 45 SER HB2 . 18221 1 431 . 1 1 54 54 SER HB3 H 1 4.308 0.010 . 2 . . . A 45 SER HB3 . 18221 1 432 . 1 1 54 54 SER C C 13 177.131 0.100 . 1 . . . A 45 SER C . 18221 1 433 . 1 1 54 54 SER CA C 13 61.21 0.100 . 1 . . . A 45 SER CA . 18221 1 434 . 1 1 54 54 SER CB C 13 62.255 0.100 . 1 . . . A 45 SER CB . 18221 1 435 . 1 1 54 54 SER N N 15 118.714 0.100 . 1 . . . A 45 SER N . 18221 1 436 . 1 1 55 55 ILE H H 1 8.028 0.010 . 1 . . . A 46 ILE H . 18221 1 437 . 1 1 55 55 ILE HA H 1 3.757 0.010 . 1 . . . A 46 ILE HA . 18221 1 438 . 1 1 55 55 ILE HB H 1 1.924 0.010 . 1 . . . A 46 ILE HB . 18221 1 439 . 1 1 55 55 ILE HD11 H 1 0.889 0.010 . 1 . . . A 46 ILE HD11 . 18221 1 440 . 1 1 55 55 ILE HD12 H 1 0.889 0.010 . 1 . . . A 46 ILE HD12 . 18221 1 441 . 1 1 55 55 ILE HD13 H 1 0.889 0.010 . 1 . . . A 46 ILE HD13 . 18221 1 442 . 1 1 55 55 ILE C C 13 177.813 0.100 . 1 . . . A 46 ILE C . 18221 1 443 . 1 1 55 55 ILE CA C 13 64.191 0.100 . 1 . . . A 46 ILE CA . 18221 1 444 . 1 1 55 55 ILE CB C 13 36.926 0.100 . 1 . . . A 46 ILE CB . 18221 1 445 . 1 1 55 55 ILE CG1 C 13 28.298 0.100 . 1 . . . A 46 ILE CG1 . 18221 1 446 . 1 1 55 55 ILE CG2 C 13 17.125 0.100 . 1 . . . A 46 ILE CG2 . 18221 1 447 . 1 1 55 55 ILE CD1 C 13 12.67 0.100 . 1 . . . A 46 ILE CD1 . 18221 1 448 . 1 1 55 55 ILE N N 15 122.912 0.100 . 1 . . . A 46 ILE N . 18221 1 449 . 1 1 56 56 ALA H H 1 8.333 0.010 . 1 . . . A 47 ALA H . 18221 1 450 . 1 1 56 56 ALA HA H 1 3.956 0.010 . 1 . . . A 47 ALA HA . 18221 1 451 . 1 1 56 56 ALA HB1 H 1 1.458 0.010 . 1 . . . A 47 ALA HB1 . 18221 1 452 . 1 1 56 56 ALA HB2 H 1 1.458 0.010 . 1 . . . A 47 ALA HB2 . 18221 1 453 . 1 1 56 56 ALA HB3 H 1 1.458 0.010 . 1 . . . A 47 ALA HB3 . 18221 1 454 . 1 1 56 56 ALA C C 13 180.294 0.100 . 1 . . . A 47 ALA C . 18221 1 455 . 1 1 56 56 ALA CA C 13 54.338 0.100 . 1 . . . A 47 ALA CA . 18221 1 456 . 1 1 56 56 ALA CB C 13 17.702 0.100 . 1 . . . A 47 ALA CB . 18221 1 457 . 1 1 56 56 ALA N N 15 122.99 0.100 . 1 . . . A 47 ALA N . 18221 1 458 . 1 1 57 57 ALA H H 1 7.879 0.010 . 1 . . . A 48 ALA H . 18221 1 459 . 1 1 57 57 ALA HA H 1 4.068 0.010 . 1 . . . A 48 ALA HA . 18221 1 460 . 1 1 57 57 ALA HB1 H 1 1.496 0.010 . 1 . . . A 48 ALA HB1 . 18221 1 461 . 1 1 57 57 ALA HB2 H 1 1.496 0.010 . 1 . . . A 48 ALA HB2 . 18221 1 462 . 1 1 57 57 ALA HB3 H 1 1.496 0.010 . 1 . . . A 48 ALA HB3 . 18221 1 463 . 1 1 57 57 ALA CA C 13 54.421 0.100 . 1 . . . A 48 ALA CA . 18221 1 464 . 1 1 57 57 ALA CB C 13 17.702 0.100 . 1 . . . A 48 ALA CB . 18221 1 465 . 1 1 57 57 ALA N N 15 121.988 0.100 . 1 . . . A 48 ALA N . 18221 1 466 . 1 1 58 58 LYS H H 1 7.727 0.010 . 1 . . . A 49 LYS H . 18221 1 467 . 1 1 58 58 LYS HA H 1 4.146 0.010 . 1 . . . A 49 LYS HA . 18221 1 468 . 1 1 58 58 LYS HB2 H 1 1.952 0.010 . 2 . . . A 49 LYS HB2 . 18221 1 469 . 1 1 58 58 LYS HB3 H 1 1.952 0.010 . 2 . . . A 49 LYS HB3 . 18221 1 470 . 1 1 58 58 LYS C C 13 179.649 0.100 . 1 . . . A 49 LYS C . 18221 1 471 . 1 1 58 58 LYS CA C 13 57.157 0.100 . 1 . . . A 49 LYS CA . 18221 1 472 . 1 1 58 58 LYS CB C 13 31.33 0.100 . 1 . . . A 49 LYS CB . 18221 1 473 . 1 1 58 58 LYS CG C 13 24.221 0.100 . 1 . . . A 49 LYS CG . 18221 1 474 . 1 1 58 58 LYS N N 15 119.094 0.100 . 1 . . . A 49 LYS N . 18221 1 475 . 1 1 59 59 MET H H 1 8.395 0.010 . 1 . . . A 50 MET H . 18221 1 476 . 1 1 59 59 MET HA H 1 4.156 0.010 . 1 . . . A 50 MET HA . 18221 1 477 . 1 1 59 59 MET HB2 H 1 2.028 0.010 . 2 . . . A 50 MET HB2 . 18221 1 478 . 1 1 59 59 MET HB3 H 1 2.209 0.010 . 2 . . . A 50 MET HB3 . 18221 1 479 . 1 1 59 59 MET HG2 H 1 2.494 0.010 . 2 . . . A 50 MET HG2 . 18221 1 480 . 1 1 59 59 MET HG3 H 1 2.674 0.010 . 2 . . . A 50 MET HG3 . 18221 1 481 . 1 1 59 59 MET C C 13 177.949 0.100 . 1 . . . A 50 MET C . 18221 1 482 . 1 1 59 59 MET CA C 13 57.136 0.100 . 1 . . . A 50 MET CA . 18221 1 483 . 1 1 59 59 MET CB C 13 31.922 0.100 . 1 . . . A 50 MET CB . 18221 1 484 . 1 1 59 59 MET CG C 13 31.33 0.100 . 1 . . . A 50 MET CG . 18221 1 485 . 1 1 59 59 MET CE C 13 17.276 0.100 . 1 . . . A 50 MET CE . 18221 1 486 . 1 1 59 59 MET N N 15 120.498 0.100 . 1 . . . A 50 MET N . 18221 1 487 . 1 1 60 60 MET H H 1 8.234 0.010 . 1 . . . A 51 MET H . 18221 1 488 . 1 1 60 60 MET HA H 1 4.222 0.010 . 1 . . . A 51 MET HA . 18221 1 489 . 1 1 60 60 MET HB2 H 1 2.148 0.010 . 2 . . . A 51 MET HB2 . 18221 1 490 . 1 1 60 60 MET HB3 H 1 2.148 0.010 . 2 . . . A 51 MET HB3 . 18221 1 491 . 1 1 60 60 MET HG2 H 1 2.532 0.010 . 2 . . . A 51 MET HG2 . 18221 1 492 . 1 1 60 60 MET HG3 H 1 2.674 0.010 . 2 . . . A 51 MET HG3 . 18221 1 493 . 1 1 60 60 MET C C 13 177.674 0.100 . 1 . . . A 51 MET C . 18221 1 494 . 1 1 60 60 MET CA C 13 57.638 0.100 . 1 . . . A 51 MET CA . 18221 1 495 . 1 1 60 60 MET CB C 13 31.785 0.100 . 1 . . . A 51 MET CB . 18221 1 496 . 1 1 60 60 MET CG C 13 31.394 0.100 . 1 . . . A 51 MET CG . 18221 1 497 . 1 1 60 60 MET CE C 13 16.823 0.100 . 1 . . . A 51 MET CE . 18221 1 498 . 1 1 60 60 MET N N 15 117.689 0.100 . 1 . . . A 51 MET N . 18221 1 499 . 1 1 61 61 SER H H 1 7.893 0.010 . 1 . . . A 52 SER H . 18221 1 500 . 1 1 61 61 SER HA H 1 4.001 0.010 . 1 . . . A 52 SER HA . 18221 1 501 . 1 1 61 61 SER HB2 H 1 4.361 0.010 . 2 . . . A 52 SER HB2 . 18221 1 502 . 1 1 61 61 SER HB3 H 1 4.629 0.010 . 2 . . . A 52 SER HB3 . 18221 1 503 . 1 1 61 61 SER C C 13 176.079 0.100 . 1 . . . A 52 SER C . 18221 1 504 . 1 1 61 61 SER CA C 13 59.911 0.100 . 1 . . . A 52 SER CA . 18221 1 505 . 1 1 61 61 SER CB C 13 62.624 0.100 . 1 . . . A 52 SER CB . 18221 1 506 . 1 1 61 61 SER N N 15 114.385 0.100 . 1 . . . A 52 SER N . 18221 1 507 . 1 1 62 62 THR H H 1 7.794 0.010 . 1 . . . A 53 THR H . 18221 1 508 . 1 1 62 62 THR HA H 1 4.104 0.010 . 1 . . . A 53 THR HA . 18221 1 509 . 1 1 62 62 THR HB H 1 4.248 0.010 . 1 . . . A 53 THR HB . 18221 1 510 . 1 1 62 62 THR HG21 H 1 1.241 0.010 . 1 . . . A 53 THR HG21 . 18221 1 511 . 1 1 62 62 THR HG22 H 1 1.241 0.010 . 1 . . . A 53 THR HG22 . 18221 1 512 . 1 1 62 62 THR HG23 H 1 1.241 0.010 . 1 . . . A 53 THR HG23 . 18221 1 513 . 1 1 62 62 THR C C 13 175.436 0.100 . 1 . . . A 53 THR C . 18221 1 514 . 1 1 62 62 THR CA C 13 64.22 0.100 . 1 . . . A 53 THR CA . 18221 1 515 . 1 1 62 62 THR CB C 13 68.514 0.100 . 1 . . . A 53 THR CB . 18221 1 516 . 1 1 62 62 THR CG2 C 13 20.975 0.100 . 1 . . . A 53 THR CG2 . 18221 1 517 . 1 1 62 62 THR N N 15 117.304 0.100 . 1 . . . A 53 THR N . 18221 1 518 . 1 1 63 63 ALA H H 1 8.204 0.010 . 1 . . . A 54 ALA H . 18221 1 519 . 1 1 63 63 ALA HA H 1 4.094 0.010 . 1 . . . A 54 ALA HA . 18221 1 520 . 1 1 63 63 ALA HB1 H 1 1.427 0.010 . 1 . . . A 54 ALA HB1 . 18221 1 521 . 1 1 63 63 ALA HB2 H 1 1.427 0.010 . 1 . . . A 54 ALA HB2 . 18221 1 522 . 1 1 63 63 ALA HB3 H 1 1.427 0.010 . 1 . . . A 54 ALA HB3 . 18221 1 523 . 1 1 63 63 ALA C C 13 178.328 0.100 . 1 . . . A 54 ALA C . 18221 1 524 . 1 1 63 63 ALA CA C 13 54.096 0.100 . 1 . . . A 54 ALA CA . 18221 1 525 . 1 1 63 63 ALA CB C 13 17.708 0.100 . 1 . . . A 54 ALA CB . 18221 1 526 . 1 1 63 63 ALA N N 15 125.382 0.100 . 1 . . . A 54 ALA N . 18221 1 527 . 1 1 64 64 ALA H H 1 7.951 0.010 . 1 . . . A 55 ALA H . 18221 1 528 . 1 1 64 64 ALA HA H 1 4.125 0.010 . 1 . . . A 55 ALA HA . 18221 1 529 . 1 1 64 64 ALA HB1 H 1 1.427 0.010 . 1 . . . A 55 ALA HB1 . 18221 1 530 . 1 1 64 64 ALA HB2 H 1 1.427 0.010 . 1 . . . A 55 ALA HB2 . 18221 1 531 . 1 1 64 64 ALA HB3 H 1 1.427 0.010 . 1 . . . A 55 ALA HB3 . 18221 1 532 . 1 1 64 64 ALA C C 13 179.183 0.100 . 1 . . . A 55 ALA C . 18221 1 533 . 1 1 64 64 ALA CA C 13 54.037 0.100 . 1 . . . A 55 ALA CA . 18221 1 534 . 1 1 64 64 ALA CB C 13 17.708 0.100 . 1 . . . A 55 ALA CB . 18221 1 535 . 1 1 64 64 ALA N N 15 119.929 0.100 . 1 . . . A 55 ALA N . 18221 1 536 . 1 1 65 65 ILE H H 1 7.561 0.010 . 1 . . . A 56 ILE H . 18221 1 537 . 1 1 65 65 ILE HA H 1 3.95 0.010 . 1 . . . A 56 ILE HA . 18221 1 538 . 1 1 65 65 ILE HB H 1 1.954 0.010 . 1 . . . A 56 ILE HB . 18221 1 539 . 1 1 65 65 ILE HG12 H 1 1.561 0.010 . 2 . . . A 56 ILE HG12 . 18221 1 540 . 1 1 65 65 ILE HG13 H 1 1.561 0.010 . 2 . . . A 56 ILE HG13 . 18221 1 541 . 1 1 65 65 ILE HG21 H 1 1.2 0.010 . 1 . . . A 56 ILE HG21 . 18221 1 542 . 1 1 65 65 ILE HG22 H 1 1.2 0.010 . 1 . . . A 56 ILE HG22 . 18221 1 543 . 1 1 65 65 ILE HG23 H 1 1.2 0.010 . 1 . . . A 56 ILE HG23 . 18221 1 544 . 1 1 65 65 ILE HD11 H 1 0.889 0.010 . 1 . . . A 56 ILE HD11 . 18221 1 545 . 1 1 65 65 ILE HD12 H 1 0.889 0.010 . 1 . . . A 56 ILE HD12 . 18221 1 546 . 1 1 65 65 ILE HD13 H 1 0.889 0.010 . 1 . . . A 56 ILE HD13 . 18221 1 547 . 1 1 65 65 ILE C C 13 177.222 0.100 . 1 . . . A 56 ILE C . 18221 1 548 . 1 1 65 65 ILE CA C 13 62.184 0.100 . 1 . . . A 56 ILE CA . 18221 1 549 . 1 1 65 65 ILE CB C 13 37.073 0.100 . 1 . . . A 56 ILE CB . 18221 1 550 . 1 1 65 65 ILE CG1 C 13 27.241 0.100 . 1 . . . A 56 ILE CG1 . 18221 1 551 . 1 1 65 65 ILE CG2 C 13 17.125 0.100 . 1 . . . A 56 ILE CG2 . 18221 1 552 . 1 1 65 65 ILE CD1 C 13 12.217 0.100 . 1 . . . A 56 ILE CD1 . 18221 1 553 . 1 1 65 65 ILE N N 15 117.016 0.100 . 1 . . . A 56 ILE N . 18221 1 554 . 1 1 66 66 ALA H H 1 7.982 0.010 . 1 . . . A 57 ALA H . 18221 1 555 . 1 1 66 66 ALA HA H 1 4.177 0.010 . 1 . . . A 57 ALA HA . 18221 1 556 . 1 1 66 66 ALA HB1 H 1 1.406 0.010 . 1 . . . A 57 ALA HB1 . 18221 1 557 . 1 1 66 66 ALA HB2 H 1 1.406 0.010 . 1 . . . A 57 ALA HB2 . 18221 1 558 . 1 1 66 66 ALA HB3 H 1 1.406 0.010 . 1 . . . A 57 ALA HB3 . 18221 1 559 . 1 1 66 66 ALA C C 13 178.19 0.100 . 1 . . . A 57 ALA C . 18221 1 560 . 1 1 66 66 ALA CA C 13 53.536 0.100 . 1 . . . A 57 ALA CA . 18221 1 561 . 1 1 66 66 ALA CB C 13 17.929 0.100 . 1 . . . A 57 ALA CB . 18221 1 562 . 1 1 66 66 ALA N N 15 124.191 0.100 . 1 . . . A 57 ALA N . 18221 1 563 . 1 1 67 67 ASN H H 1 8.113 0.010 . 1 . . . A 58 ASN H . 18221 1 564 . 1 1 67 67 ASN HA H 1 4.673 0.010 . 1 . . . A 58 ASN HA . 18221 1 565 . 1 1 67 67 ASN HB2 H 1 2.73 0.010 . 2 . . . A 58 ASN HB2 . 18221 1 566 . 1 1 67 67 ASN HB3 H 1 2.854 0.010 . 2 . . . A 58 ASN HB3 . 18221 1 567 . 1 1 67 67 ASN C C 13 176.344 0.100 . 1 . . . A 58 ASN C . 18221 1 568 . 1 1 67 67 ASN CA C 13 53.477 0.100 . 1 . . . A 58 ASN CA . 18221 1 569 . 1 1 67 67 ASN CB C 13 38.472 0.100 . 1 . . . A 58 ASN CB . 18221 1 570 . 1 1 67 67 ASN CG C 13 176.897 0.100 . 1 . . . A 58 ASN CG . 18221 1 571 . 1 1 67 67 ASN N N 15 116.132 0.100 . 1 . . . A 58 ASN N . 18221 1 572 . 1 1 68 68 GLY H H 1 8.152 0.010 . 1 . . . A 59 GLY H . 18221 1 573 . 1 1 68 68 GLY HA2 H 1 3.95 0.010 . 2 . . . A 59 GLY HA2 . 18221 1 574 . 1 1 68 68 GLY HA3 H 1 3.95 0.010 . 2 . . . A 59 GLY HA3 . 18221 1 575 . 1 1 68 68 GLY C C 13 174.958 0.100 . 1 . . . A 59 GLY C . 18221 1 576 . 1 1 68 68 GLY CA C 13 45.655 0.100 . 1 . . . A 59 GLY CA . 18221 1 577 . 1 1 68 68 GLY N N 15 108.808 0.100 . 1 . . . A 59 GLY N . 18221 1 578 . 1 1 69 69 GLY H H 1 8.218 0.010 . 1 . . . A 60 GLY H . 18221 1 579 . 1 1 69 69 GLY HA2 H 1 3.933 0.010 . 2 . . . A 60 GLY HA2 . 18221 1 580 . 1 1 69 69 GLY HA3 H 1 3.933 0.010 . 2 . . . A 60 GLY HA3 . 18221 1 581 . 1 1 69 69 GLY C C 13 174.631 0.100 . 1 . . . A 60 GLY C . 18221 1 582 . 1 1 69 69 GLY CA C 13 45.419 0.100 . 1 . . . A 60 GLY CA . 18221 1 583 . 1 1 69 69 GLY N N 15 108.832 0.100 . 1 . . . A 60 GLY N . 18221 1 584 . 1 1 70 70 GLY H H 1 8.175 0.010 . 1 . . . A 61 GLY H . 18221 1 585 . 1 1 70 70 GLY HA2 H 1 3.939 0.010 . 2 . . . A 61 GLY HA2 . 18221 1 586 . 1 1 70 70 GLY HA3 H 1 3.939 0.010 . 2 . . . A 61 GLY HA3 . 18221 1 587 . 1 1 70 70 GLY C C 13 174.594 0.100 . 1 . . . A 61 GLY C . 18221 1 588 . 1 1 70 70 GLY CA C 13 45.36 0.100 . 1 . . . A 61 GLY CA . 18221 1 589 . 1 1 70 70 GLY N N 15 108.966 0.100 . 1 . . . A 61 GLY N . 18221 1 590 . 1 1 71 71 VAL H H 1 7.882 0.010 . 1 . . . A 62 VAL H . 18221 1 591 . 1 1 71 71 VAL HA H 1 4.006 0.010 . 1 . . . A 62 VAL HA . 18221 1 592 . 1 1 71 71 VAL HB H 1 2.054 0.010 . 1 . . . A 62 VAL HB . 18221 1 593 . 1 1 71 71 VAL HG11 H 1 0.914 0.010 . 2 . . . A 62 VAL HG11 . 18221 1 594 . 1 1 71 71 VAL HG12 H 1 0.914 0.010 . 2 . . . A 62 VAL HG12 . 18221 1 595 . 1 1 71 71 VAL HG13 H 1 0.914 0.010 . 2 . . . A 62 VAL HG13 . 18221 1 596 . 1 1 71 71 VAL HG21 H 1 0.914 0.010 . 2 . . . A 62 VAL HG21 . 18221 1 597 . 1 1 71 71 VAL HG22 H 1 0.914 0.010 . 2 . . . A 62 VAL HG22 . 18221 1 598 . 1 1 71 71 VAL HG23 H 1 0.914 0.010 . 2 . . . A 62 VAL HG23 . 18221 1 599 . 1 1 71 71 VAL C C 13 176.077 0.100 . 1 . . . A 62 VAL C . 18221 1 600 . 1 1 71 71 VAL CA C 13 62.39 0.100 . 1 . . . A 62 VAL CA . 18221 1 601 . 1 1 71 71 VAL CB C 13 31.698 0.100 . 1 . . . A 62 VAL CB . 18221 1 602 . 1 1 71 71 VAL N N 15 120.209 0.100 . 1 . . . A 62 VAL N . 18221 1 603 . 1 1 72 72 ALA H H 1 8.237 0.010 . 1 . . . A 63 ALA H . 18221 1 604 . 1 1 72 72 ALA HA H 1 4.026 0.010 . 1 . . . A 63 ALA HA . 18221 1 605 . 1 1 72 72 ALA HB1 H 1 1.406 0.010 . 1 . . . A 63 ALA HB1 . 18221 1 606 . 1 1 72 72 ALA HB2 H 1 1.406 0.010 . 1 . . . A 63 ALA HB2 . 18221 1 607 . 1 1 72 72 ALA HB3 H 1 1.406 0.010 . 1 . . . A 63 ALA HB3 . 18221 1 608 . 1 1 72 72 ALA C C 13 178.064 0.100 . 1 . . . A 63 ALA C . 18221 1 609 . 1 1 72 72 ALA CA C 13 52.503 0.100 . 1 . . . A 63 ALA CA . 18221 1 610 . 1 1 72 72 ALA CB C 13 18.225 0.100 . 1 . . . A 63 ALA CB . 18221 1 611 . 1 1 72 72 ALA N N 15 126.966 0.100 . 1 . . . A 63 ALA N . 18221 1 612 . 1 1 73 73 ALA H H 1 8.421 0.010 . 1 . . . A 64 ALA H . 18221 1 613 . 1 1 73 73 ALA HA H 1 4.015 0.010 . 1 . . . A 64 ALA HA . 18221 1 614 . 1 1 73 73 ALA HB1 H 1 1.416 0.010 . 1 . . . A 64 ALA HB1 . 18221 1 615 . 1 1 73 73 ALA HB2 H 1 1.416 0.010 . 1 . . . A 64 ALA HB2 . 18221 1 616 . 1 1 73 73 ALA HB3 H 1 1.416 0.010 . 1 . . . A 64 ALA HB3 . 18221 1 617 . 1 1 73 73 ALA C C 13 178.995 0.100 . 1 . . . A 64 ALA C . 18221 1 618 . 1 1 73 73 ALA CA C 13 54.421 0.100 . 1 . . . A 64 ALA CA . 18221 1 619 . 1 1 73 73 ALA CB C 13 18.003 0.100 . 1 . . . A 64 ALA CB . 18221 1 620 . 1 1 73 73 ALA N N 15 123.432 0.100 . 1 . . . A 64 ALA N . 18221 1 621 . 1 1 74 74 GLY H H 1 8.448 0.010 . 1 . . . A 65 GLY H . 18221 1 622 . 1 1 74 74 GLY HA2 H 1 3.824 0.010 . 2 . . . A 65 GLY HA2 . 18221 1 623 . 1 1 74 74 GLY HA3 H 1 4.002 0.010 . 2 . . . A 65 GLY HA3 . 18221 1 624 . 1 1 74 74 GLY C C 13 176.367 0.100 . 1 . . . A 65 GLY C . 18221 1 625 . 1 1 74 74 GLY CA C 13 46.244 0.100 . 1 . . . A 65 GLY CA . 18221 1 626 . 1 1 74 74 GLY N N 15 105.577 0.100 . 1 . . . A 65 GLY N . 18221 1 627 . 1 1 75 75 SER H H 1 7.899 0.010 . 1 . . . A 66 SER H . 18221 1 628 . 1 1 75 75 SER HA H 1 4.394 0.010 . 1 . . . A 66 SER HA . 18221 1 629 . 1 1 75 75 SER C C 13 176.329 0.100 . 1 . . . A 66 SER C . 18221 1 630 . 1 1 75 75 SER CA C 13 60.236 0.100 . 1 . . . A 66 SER CA . 18221 1 631 . 1 1 75 75 SER CB C 13 62.476 0.100 . 1 . . . A 66 SER CB . 18221 1 632 . 1 1 75 75 SER N N 15 117.656 0.100 . 1 . . . A 66 SER N . 18221 1 633 . 1 1 76 76 LEU H H 1 7.955 0.010 . 1 . . . A 67 LEU H . 18221 1 634 . 1 1 76 76 LEU HA H 1 4.05 0.010 . 1 . . . A 67 LEU HA . 18221 1 635 . 1 1 76 76 LEU HB2 H 1 1.702 0.010 . 2 . . . A 67 LEU HB2 . 18221 1 636 . 1 1 76 76 LEU HB3 H 1 1.702 0.010 . 2 . . . A 67 LEU HB3 . 18221 1 637 . 1 1 76 76 LEU HD11 H 1 0.879 0.010 . 2 . . . A 67 LEU HD11 . 18221 1 638 . 1 1 76 76 LEU HD12 H 1 0.879 0.010 . 2 . . . A 67 LEU HD12 . 18221 1 639 . 1 1 76 76 LEU HD13 H 1 0.879 0.010 . 2 . . . A 67 LEU HD13 . 18221 1 640 . 1 1 76 76 LEU HD21 H 1 0.879 0.010 . 2 . . . A 67 LEU HD21 . 18221 1 641 . 1 1 76 76 LEU HD22 H 1 0.879 0.010 . 2 . . . A 67 LEU HD22 . 18221 1 642 . 1 1 76 76 LEU HD23 H 1 0.879 0.010 . 2 . . . A 67 LEU HD23 . 18221 1 643 . 1 1 76 76 LEU C C 13 178.442 0.100 . 1 . . . A 67 LEU C . 18221 1 644 . 1 1 76 76 LEU CA C 13 57.52 0.100 . 1 . . . A 67 LEU CA . 18221 1 645 . 1 1 76 76 LEU CB C 13 40.681 0.100 . 1 . . . A 67 LEU CB . 18221 1 646 . 1 1 76 76 LEU CG C 13 26.438 0.100 . 1 . . . A 67 LEU CG . 18221 1 647 . 1 1 76 76 LEU N N 15 122.743 0.100 . 1 . . . A 67 LEU N . 18221 1 648 . 1 1 77 77 VAL H H 1 8.039 0.010 . 1 . . . A 68 VAL H . 18221 1 649 . 1 1 77 77 VAL HA H 1 3.471 0.010 . 1 . . . A 68 VAL HA . 18221 1 650 . 1 1 77 77 VAL HB H 1 2.089 0.010 . 1 . . . A 68 VAL HB . 18221 1 651 . 1 1 77 77 VAL HG11 H 1 0.891 0.010 . 2 . . . A 68 VAL HG11 . 18221 1 652 . 1 1 77 77 VAL HG12 H 1 0.891 0.010 . 2 . . . A 68 VAL HG12 . 18221 1 653 . 1 1 77 77 VAL HG13 H 1 0.891 0.010 . 2 . . . A 68 VAL HG13 . 18221 1 654 . 1 1 77 77 VAL HG21 H 1 1.031 0.010 . 2 . . . A 68 VAL HG21 . 18221 1 655 . 1 1 77 77 VAL HG22 H 1 1.031 0.010 . 2 . . . A 68 VAL HG22 . 18221 1 656 . 1 1 77 77 VAL HG23 H 1 1.031 0.010 . 2 . . . A 68 VAL HG23 . 18221 1 657 . 1 1 77 77 VAL C C 13 177.297 0.100 . 1 . . . A 68 VAL C . 18221 1 658 . 1 1 77 77 VAL CA C 13 66.67 0.100 . 1 . . . A 68 VAL CA . 18221 1 659 . 1 1 77 77 VAL CB C 13 30.52 0.100 . 1 . . . A 68 VAL CB . 18221 1 660 . 1 1 77 77 VAL CG1 C 13 20.388 0.100 . 2 . . . A 68 VAL CG1 . 18221 1 661 . 1 1 77 77 VAL CG2 C 13 22.454 0.100 . 2 . . . A 68 VAL CG2 . 18221 1 662 . 1 1 77 77 VAL N N 15 118.4 0.100 . 1 . . . A 68 VAL N . 18221 1 663 . 1 1 78 78 ALA H H 1 7.631 0.010 . 1 . . . A 69 ALA H . 18221 1 664 . 1 1 78 78 ALA HA H 1 4.205 0.010 . 1 . . . A 69 ALA HA . 18221 1 665 . 1 1 78 78 ALA HB1 H 1 1.495 0.010 . 1 . . . A 69 ALA HB1 . 18221 1 666 . 1 1 78 78 ALA HB2 H 1 1.495 0.010 . 1 . . . A 69 ALA HB2 . 18221 1 667 . 1 1 78 78 ALA HB3 H 1 1.495 0.010 . 1 . . . A 69 ALA HB3 . 18221 1 668 . 1 1 78 78 ALA C C 13 181.258 0.100 . 1 . . . A 69 ALA C . 18221 1 669 . 1 1 78 78 ALA CA C 13 54.982 0.100 . 1 . . . A 69 ALA CA . 18221 1 670 . 1 1 78 78 ALA CB C 13 17.414 0.100 . 1 . . . A 69 ALA CB . 18221 1 671 . 1 1 78 78 ALA N N 15 121.927 0.100 . 1 . . . A 69 ALA N . 18221 1 672 . 1 1 79 79 ILE H H 1 7.841 0.010 . 1 . . . A 70 ILE H . 18221 1 673 . 1 1 79 79 ILE HA H 1 3.796 0.010 . 1 . . . A 70 ILE HA . 18221 1 674 . 1 1 79 79 ILE HB H 1 1.819 0.010 . 1 . . . A 70 ILE HB . 18221 1 675 . 1 1 79 79 ILE HD11 H 1 0.872 0.010 . 1 . . . A 70 ILE HD11 . 18221 1 676 . 1 1 79 79 ILE HD12 H 1 0.872 0.010 . 1 . . . A 70 ILE HD12 . 18221 1 677 . 1 1 79 79 ILE HD13 H 1 0.872 0.010 . 1 . . . A 70 ILE HD13 . 18221 1 678 . 1 1 79 79 ILE C C 13 178.253 0.100 . 1 . . . A 70 ILE C . 18221 1 679 . 1 1 79 79 ILE CA C 13 64.352 0.100 . 1 . . . A 70 ILE CA . 18221 1 680 . 1 1 79 79 ILE CB C 13 37.073 0.100 . 1 . . . A 70 ILE CB . 18221 1 681 . 1 1 79 79 ILE CG1 C 13 28.135 0.100 . 1 . . . A 70 ILE CG1 . 18221 1 682 . 1 1 79 79 ILE CG2 C 13 16.846 0.100 . 1 . . . A 70 ILE CG2 . 18221 1 683 . 1 1 79 79 ILE CD1 C 13 12.788 0.100 . 1 . . . A 70 ILE CD1 . 18221 1 684 . 1 1 79 79 ILE N N 15 119.782 0.100 . 1 . . . A 70 ILE N . 18221 1 685 . 1 1 80 80 LEU H H 1 8.19 0.010 . 1 . . . A 71 LEU H . 18221 1 686 . 1 1 80 80 LEU HA H 1 3.937 0.010 . 1 . . . A 71 LEU HA . 18221 1 687 . 1 1 80 80 LEU HB2 H 1 1.924 0.010 . 2 . . . A 71 LEU HB2 . 18221 1 688 . 1 1 80 80 LEU HB3 H 1 1.924 0.010 . 2 . . . A 71 LEU HB3 . 18221 1 689 . 1 1 80 80 LEU HD11 H 1 0.841 0.010 . 2 . . . A 71 LEU HD11 . 18221 1 690 . 1 1 80 80 LEU HD12 H 1 0.841 0.010 . 2 . . . A 71 LEU HD12 . 18221 1 691 . 1 1 80 80 LEU HD13 H 1 0.841 0.010 . 2 . . . A 71 LEU HD13 . 18221 1 692 . 1 1 80 80 LEU HD21 H 1 0.841 0.010 . 2 . . . A 71 LEU HD21 . 18221 1 693 . 1 1 80 80 LEU HD22 H 1 0.841 0.010 . 2 . . . A 71 LEU HD22 . 18221 1 694 . 1 1 80 80 LEU HD23 H 1 0.841 0.010 . 2 . . . A 71 LEU HD23 . 18221 1 695 . 1 1 80 80 LEU C C 13 179.234 0.100 . 1 . . . A 71 LEU C . 18221 1 696 . 1 1 80 80 LEU CA C 13 57.845 0.100 . 1 . . . A 71 LEU CA . 18221 1 697 . 1 1 80 80 LEU CB C 13 40.019 0.100 . 1 . . . A 71 LEU CB . 18221 1 698 . 1 1 80 80 LEU CG C 13 26.069 0.100 . 1 . . . A 71 LEU CG . 18221 1 699 . 1 1 80 80 LEU N N 15 120.841 0.100 . 1 . . . A 71 LEU N . 18221 1 700 . 1 1 81 81 GLN H H 1 8.489 0.010 . 1 . . . A 72 GLN H . 18221 1 701 . 1 1 81 81 GLN HA H 1 3.969 0.010 . 1 . . . A 72 GLN HA . 18221 1 702 . 1 1 81 81 GLN HB2 H 1 2.082 0.010 . 2 . . . A 72 GLN HB2 . 18221 1 703 . 1 1 81 81 GLN HB3 H 1 2.082 0.010 . 2 . . . A 72 GLN HB3 . 18221 1 704 . 1 1 81 81 GLN HG2 H 1 2.228 0.010 . 2 . . . A 72 GLN HG2 . 18221 1 705 . 1 1 81 81 GLN HG3 H 1 2.228 0.010 . 2 . . . A 72 GLN HG3 . 18221 1 706 . 1 1 81 81 GLN C C 13 178.53 0.100 . 1 . . . A 72 GLN C . 18221 1 707 . 1 1 81 81 GLN CA C 13 58.819 0.100 . 1 . . . A 72 GLN CA . 18221 1 708 . 1 1 81 81 GLN CB C 13 27.28 0.100 . 1 . . . A 72 GLN CB . 18221 1 709 . 1 1 81 81 GLN CG C 13 33.743 0.100 . 1 . . . A 72 GLN CG . 18221 1 710 . 1 1 81 81 GLN N N 15 117.558 0.100 . 1 . . . A 72 GLN N . 18221 1 711 . 1 1 82 82 SER H H 1 7.855 0.010 . 1 . . . A 73 SER H . 18221 1 712 . 1 1 82 82 SER HA H 1 4.233 0.010 . 1 . . . A 73 SER HA . 18221 1 713 . 1 1 82 82 SER HB2 H 1 3.779 0.010 . 2 . . . A 73 SER HB2 . 18221 1 714 . 1 1 82 82 SER HB3 H 1 3.779 0.010 . 2 . . . A 73 SER HB3 . 18221 1 715 . 1 1 82 82 SER C C 13 177.243 0.100 . 1 . . . A 73 SER C . 18221 1 716 . 1 1 82 82 SER CA C 13 61.044 0.100 . 1 . . . A 73 SER CA . 18221 1 717 . 1 1 82 82 SER CB C 13 62.257 0.100 . 1 . . . A 73 SER CB . 18221 1 718 . 1 1 82 82 SER N N 15 116.103 0.100 . 1 . . . A 73 SER N . 18221 1 719 . 1 1 83 83 VAL H H 1 8.03 0.010 . 1 . . . A 74 VAL H . 18221 1 720 . 1 1 83 83 VAL C C 13 177.979 0.100 . 1 . . . A 74 VAL C . 18221 1 721 . 1 1 83 83 VAL CA C 13 65.106 0.100 . 1 . . . A 74 VAL CA . 18221 1 722 . 1 1 83 83 VAL CB C 13 30.741 0.100 . 1 . . . A 74 VAL CB . 18221 1 723 . 1 1 83 83 VAL CG1 C 13 20.83 0.100 . 2 . . . A 74 VAL CG1 . 18221 1 724 . 1 1 83 83 VAL CG2 C 13 21.716 0.100 . 2 . . . A 74 VAL CG2 . 18221 1 725 . 1 1 83 83 VAL N N 15 120.362 0.100 . 1 . . . A 74 VAL N . 18221 1 726 . 1 1 84 84 GLY H H 1 8.369 0.010 . 1 . . . A 75 GLY H . 18221 1 727 . 1 1 84 84 GLY HA2 H 1 3.757 0.010 . 2 . . . A 75 GLY HA2 . 18221 1 728 . 1 1 84 84 GLY HA3 H 1 3.757 0.010 . 2 . . . A 75 GLY HA3 . 18221 1 729 . 1 1 84 84 GLY C C 13 174.913 0.100 . 1 . . . A 75 GLY C . 18221 1 730 . 1 1 84 84 GLY CA C 13 46.777 0.100 . 1 . . . A 75 GLY CA . 18221 1 731 . 1 1 84 84 GLY N N 15 108.223 0.100 . 1 . . . A 75 GLY N . 18221 1 732 . 1 1 85 85 ALA H H 1 8.115 0.010 . 1 . . . A 76 ALA H . 18221 1 733 . 1 1 85 85 ALA HA H 1 4.094 0.010 . 1 . . . A 76 ALA HA . 18221 1 734 . 1 1 85 85 ALA HB1 H 1 1.484 0.010 . 1 . . . A 76 ALA HB1 . 18221 1 735 . 1 1 85 85 ALA HB2 H 1 1.484 0.010 . 1 . . . A 76 ALA HB2 . 18221 1 736 . 1 1 85 85 ALA HB3 H 1 1.484 0.010 . 1 . . . A 76 ALA HB3 . 18221 1 737 . 1 1 85 85 ALA CA C 13 54.598 0.100 . 1 . . . A 76 ALA CA . 18221 1 738 . 1 1 85 85 ALA CB C 13 17.623 0.100 . 1 . . . A 76 ALA CB . 18221 1 739 . 1 1 85 85 ALA N N 15 123.55 0.100 . 1 . . . A 76 ALA N . 18221 1 740 . 1 1 86 86 ALA H H 1 8.632 0.010 . 1 . . . A 77 ALA H . 18221 1 741 . 1 1 86 86 ALA C C 13 178.988 0.100 . 1 . . . A 77 ALA C . 18221 1 742 . 1 1 86 86 ALA CA C 13 54.836 0.100 . 1 . . . A 77 ALA CA . 18221 1 743 . 1 1 86 86 ALA CB C 13 17.51 0.100 . 1 . . . A 77 ALA CB . 18221 1 744 . 1 1 86 86 ALA N N 15 120.41 0.100 . 1 . . . A 77 ALA N . 18221 1 745 . 1 1 87 87 GLY H H 1 8.196 0.010 . 1 . . . A 78 GLY H . 18221 1 746 . 1 1 87 87 GLY HA2 H 1 3.91 0.010 . 2 . . . A 78 GLY HA2 . 18221 1 747 . 1 1 87 87 GLY HA3 H 1 3.91 0.010 . 2 . . . A 78 GLY HA3 . 18221 1 748 . 1 1 87 87 GLY C C 13 175.939 0.100 . 1 . . . A 78 GLY C . 18221 1 749 . 1 1 87 87 GLY CA C 13 46.118 0.100 . 1 . . . A 78 GLY CA . 18221 1 750 . 1 1 87 87 GLY N N 15 105.706 0.100 . 1 . . . A 78 GLY N . 18221 1 751 . 1 1 88 88 LEU H H 1 8.449 0.010 . 1 . . . A 79 LEU H . 18221 1 752 . 1 1 88 88 LEU CA C 13 57.402 0.100 . 1 . . . A 79 LEU CA . 18221 1 753 . 1 1 88 88 LEU CB C 13 40.387 0.100 . 1 . . . A 79 LEU CB . 18221 1 754 . 1 1 88 88 LEU CG C 13 26.217 0.100 . 1 . . . A 79 LEU CG . 18221 1 755 . 1 1 88 88 LEU N N 15 124.128 0.100 . 1 . . . A 79 LEU N . 18221 1 756 . 1 1 89 89 SER H H 1 8.12 0.010 . 1 . . . A 80 SER H . 18221 1 757 . 1 1 89 89 SER C C 13 179.153 0.100 . 1 . . . A 80 SER C . 18221 1 758 . 1 1 89 89 SER CA C 13 61.023 0.100 . 1 . . . A 80 SER CA . 18221 1 759 . 1 1 89 89 SER CB C 13 62.255 0.100 . 1 . . . A 80 SER CB . 18221 1 760 . 1 1 89 89 SER N N 15 116.251 0.100 . 1 . . . A 80 SER N . 18221 1 761 . 1 1 90 90 VAL H H 1 7.955 0.010 . 1 . . . A 81 VAL H . 18221 1 762 . 1 1 90 90 VAL C C 13 177.652 0.100 . 1 . . . A 81 VAL C . 18221 1 763 . 1 1 90 90 VAL CA C 13 65.076 0.100 . 1 . . . A 81 VAL CA . 18221 1 764 . 1 1 90 90 VAL CB C 13 31.33 0.100 . 1 . . . A 81 VAL CB . 18221 1 765 . 1 1 90 90 VAL CG1 C 13 20.883 0.100 . 2 . . . A 81 VAL CG1 . 18221 1 766 . 1 1 90 90 VAL CG2 C 13 21.799 0.100 . 2 . . . A 81 VAL CG2 . 18221 1 767 . 1 1 90 90 VAL N N 15 119.31 0.100 . 1 . . . A 81 VAL N . 18221 1 768 . 1 1 91 91 THR H H 1 7.888 0.010 . 1 . . . A 82 THR H . 18221 1 769 . 1 1 91 91 THR C C 13 176.571 0.100 . 1 . . . A 82 THR C . 18221 1 770 . 1 1 91 91 THR CA C 13 66.434 0.100 . 1 . . . A 82 THR CA . 18221 1 771 . 1 1 91 91 THR CB C 13 67.742 0.100 . 1 . . . A 82 THR CB . 18221 1 772 . 1 1 91 91 THR CG2 C 13 21.112 0.100 . 1 . . . A 82 THR CG2 . 18221 1 773 . 1 1 91 91 THR N N 15 115.535 0.100 . 1 . . . A 82 THR N . 18221 1 774 . 1 1 92 92 SER H H 1 8.212 0.010 . 1 . . . A 83 SER H . 18221 1 775 . 1 1 92 92 SER HA H 1 4.04 0.010 . 1 . . . A 83 SER HA . 18221 1 776 . 1 1 92 92 SER HB2 H 1 3.961 0.010 . 2 . . . A 83 SER HB2 . 18221 1 777 . 1 1 92 92 SER HB3 H 1 3.961 0.010 . 2 . . . A 83 SER HB3 . 18221 1 778 . 1 1 92 92 SER C C 13 176.761 0.100 . 1 . . . A 83 SER C . 18221 1 779 . 1 1 92 92 SER CA C 13 61.564 0.100 . 1 . . . A 83 SER CA . 18221 1 780 . 1 1 92 92 SER CB C 13 62.009 0.100 . 1 . . . A 83 SER CB . 18221 1 781 . 1 1 92 92 SER N N 15 116.537 0.100 . 1 . . . A 83 SER N . 18221 1 782 . 1 1 93 93 LYS H H 1 7.642 0.010 . 1 . . . A 84 LYS H . 18221 1 783 . 1 1 93 93 LYS HA H 1 4.119 0.010 . 1 . . . A 84 LYS HA . 18221 1 784 . 1 1 93 93 LYS HB2 H 1 1.955 0.010 . 2 . . . A 84 LYS HB2 . 18221 1 785 . 1 1 93 93 LYS HB3 H 1 1.955 0.010 . 2 . . . A 84 LYS HB3 . 18221 1 786 . 1 1 93 93 LYS C C 13 172.812 0.100 . 1 . . . A 84 LYS C . 18221 1 787 . 1 1 93 93 LYS CA C 13 58.435 0.100 . 1 . . . A 84 LYS CA . 18221 1 788 . 1 1 93 93 LYS CB C 13 31.477 0.100 . 1 . . . A 84 LYS CB . 18221 1 789 . 1 1 93 93 LYS CG C 13 24.393 0.100 . 1 . . . A 84 LYS CG . 18221 1 790 . 1 1 93 93 LYS N N 15 122.353 0.100 . 1 . . . A 84 LYS N . 18221 1 791 . 1 1 94 94 VAL H H 1 8.414 0.010 . 1 . . . A 85 VAL H . 18221 1 792 . 1 1 94 94 VAL C C 13 177.948 0.100 . 1 . . . A 85 VAL C . 18221 1 793 . 1 1 94 94 VAL CA C 13 65.389 0.100 . 1 . . . A 85 VAL CA . 18221 1 794 . 1 1 94 94 VAL CB C 13 31.846 0.100 . 1 . . . A 85 VAL CB . 18221 1 795 . 1 1 94 94 VAL N N 15 119.348 0.100 . 1 . . . A 85 VAL N . 18221 1 796 . 1 1 95 95 ILE H H 1 8.169 0.010 . 1 . . . A 86 ILE H . 18221 1 797 . 1 1 95 95 ILE C C 13 177.972 0.100 . 1 . . . A 86 ILE C . 18221 1 798 . 1 1 95 95 ILE CA C 13 63.837 0.100 . 1 . . . A 86 ILE CA . 18221 1 799 . 1 1 95 95 ILE CB C 13 36.632 0.100 . 1 . . . A 86 ILE CB . 18221 1 800 . 1 1 95 95 ILE CG1 C 13 27.903 0.100 . 1 . . . A 86 ILE CG1 . 18221 1 801 . 1 1 95 95 ILE CG2 C 13 17.145 0.100 . 1 . . . A 86 ILE CG2 . 18221 1 802 . 1 1 95 95 ILE N N 15 118.769 0.100 . 1 . . . A 86 ILE N . 18221 1 803 . 1 1 96 96 GLY H H 1 8.182 0.010 . 1 . . . A 87 GLY H . 18221 1 804 . 1 1 96 96 GLY C C 13 176.571 0.100 . 1 . . . A 87 GLY C . 18221 1 805 . 1 1 96 96 GLY CA C 13 46.511 0.100 . 1 . . . A 87 GLY CA . 18221 1 806 . 1 1 96 96 GLY N N 15 107.955 0.100 . 1 . . . A 87 GLY N . 18221 1 807 . 1 1 97 97 GLY H H 1 7.953 0.010 . 1 . . . A 88 GLY H . 18221 1 808 . 1 1 97 97 GLY HA2 H 1 3.835 0.010 . 2 . . . A 88 GLY HA2 . 18221 1 809 . 1 1 97 97 GLY HA3 H 1 4.026 0.010 . 2 . . . A 88 GLY HA3 . 18221 1 810 . 1 1 97 97 GLY C C 13 175.524 0.100 . 1 . . . A 88 GLY C . 18221 1 811 . 1 1 97 97 GLY CA C 13 45.832 0.100 . 1 . . . A 88 GLY CA . 18221 1 812 . 1 1 97 97 GLY N N 15 109.117 0.100 . 1 . . . A 88 GLY N . 18221 1 813 . 1 1 98 98 PHE H H 1 8 0.010 . 1 . . . A 89 PHE H . 18221 1 814 . 1 1 98 98 PHE HB2 H 1 3.141 0.010 . 2 . . . A 89 PHE HB2 . 18221 1 815 . 1 1 98 98 PHE HB3 H 1 3.141 0.010 . 2 . . . A 89 PHE HB3 . 18221 1 816 . 1 1 98 98 PHE C C 13 176.367 0.100 . 1 . . . A 89 PHE C . 18221 1 817 . 1 1 98 98 PHE CA C 13 56.9 0.100 . 1 . . . A 89 PHE CA . 18221 1 818 . 1 1 98 98 PHE CB C 13 38.832 0.100 . 1 . . . A 89 PHE CB . 18221 1 819 . 1 1 98 98 PHE N N 15 121.1 0.100 . 1 . . . A 89 PHE N . 18221 1 820 . 1 1 99 99 ALA H H 1 8.322 0.010 . 1 . . . A 90 ALA H . 18221 1 821 . 1 1 99 99 ALA HB1 H 1 1.439 0.010 . 1 . . . A 90 ALA HB1 . 18221 1 822 . 1 1 99 99 ALA HB2 H 1 1.439 0.010 . 1 . . . A 90 ALA HB2 . 18221 1 823 . 1 1 99 99 ALA HB3 H 1 1.439 0.010 . 1 . . . A 90 ALA HB3 . 18221 1 824 . 1 1 99 99 ALA C C 13 178.348 0.100 . 1 . . . A 90 ALA C . 18221 1 825 . 1 1 99 99 ALA CA C 13 55.277 0.100 . 1 . . . A 90 ALA CA . 18221 1 826 . 1 1 99 99 ALA CB C 13 17.414 0.100 . 1 . . . A 90 ALA CB . 18221 1 827 . 1 1 99 99 ALA N N 15 122.834 0.100 . 1 . . . A 90 ALA N . 18221 1 828 . 1 1 100 100 GLY H H 1 8 0.010 . 1 . . . A 91 GLY H . 18221 1 829 . 1 1 100 100 GLY C C 13 175.878 0.100 . 1 . . . A 91 GLY C . 18221 1 830 . 1 1 100 100 GLY CA C 13 45.626 0.100 . 1 . . . A 91 GLY CA . 18221 1 831 . 1 1 100 100 GLY N N 15 106.688 0.100 . 1 . . . A 91 GLY N . 18221 1 832 . 1 1 101 101 THR H H 1 7.754 0.010 . 1 . . . A 92 THR H . 18221 1 833 . 1 1 101 101 THR C C 13 178.476 0.100 . 1 . . . A 92 THR C . 18221 1 834 . 1 1 101 101 THR CA C 13 63.364 0.100 . 1 . . . A 92 THR CA . 18221 1 835 . 1 1 101 101 THR CB C 13 69.619 0.100 . 1 . . . A 92 THR CB . 18221 1 836 . 1 1 101 101 THR CG2 C 13 20.927 0.100 . 1 . . . A 92 THR CG2 . 18221 1 837 . 1 1 101 101 THR N N 15 115.689 0.100 . 1 . . . A 92 THR N . 18221 1 838 . 1 1 102 102 ALA H H 1 7.919 0.010 . 1 . . . A 93 ALA H . 18221 1 839 . 1 1 102 102 ALA CA C 13 54.311 0.100 . 1 . . . A 93 ALA CA . 18221 1 840 . 1 1 102 102 ALA CB C 13 17.679 0.100 . 1 . . . A 93 ALA CB . 18221 1 841 . 1 1 102 102 ALA N N 15 124.835 0.100 . 1 . . . A 93 ALA N . 18221 1 842 . 1 1 103 103 LEU H H 1 8.037 0.010 . 1 . . . A 94 LEU H . 18221 1 843 . 1 1 103 103 LEU CA C 13 56.782 0.100 . 1 . . . A 94 LEU CA . 18221 1 844 . 1 1 103 103 LEU CB C 13 40.902 0.100 . 1 . . . A 94 LEU CB . 18221 1 845 . 1 1 103 103 LEU CG C 13 26.759 0.100 . 1 . . . A 94 LEU CG . 18221 1 846 . 1 1 103 103 LEU N N 15 117.445 0.100 . 1 . . . A 94 LEU N . 18221 1 847 . 1 1 104 104 GLY H H 1 7.9 0.010 . 1 . . . A 95 GLY H . 18221 1 848 . 1 1 104 104 GLY C C 13 175.851 0.100 . 1 . . . A 95 GLY C . 18221 1 849 . 1 1 104 104 GLY CA C 13 46.57 0.100 . 1 . . . A 95 GLY CA . 18221 1 850 . 1 1 104 104 GLY N N 15 106.296 0.100 . 1 . . . A 95 GLY N . 18221 1 851 . 1 1 105 105 ALA H H 1 7.804 0.010 . 1 . . . A 96 ALA H . 18221 1 852 . 1 1 105 105 ALA CA C 13 54.126 0.100 . 1 . . . A 96 ALA CA . 18221 1 853 . 1 1 105 105 ALA CB C 13 17.587 0.100 . 1 . . . A 96 ALA CB . 18221 1 854 . 1 1 105 105 ALA N N 15 123.872 0.100 . 1 . . . A 96 ALA N . 18221 1 855 . 1 1 106 106 TRP H H 1 8.385 0.010 . 1 . . . A 97 TRP H . 18221 1 856 . 1 1 106 106 TRP C C 13 176.857 0.100 . 1 . . . A 97 TRP C . 18221 1 857 . 1 1 106 106 TRP CA C 13 56.9 0.100 . 1 . . . A 97 TRP CA . 18221 1 858 . 1 1 106 106 TRP N N 15 120.348 0.100 . 1 . . . A 97 TRP N . 18221 1 859 . 1 1 107 107 LEU H H 1 7.88 0.010 . 1 . . . A 98 LEU H . 18221 1 860 . 1 1 107 107 LEU C C 13 177.659 0.100 . 1 . . . A 98 LEU C . 18221 1 861 . 1 1 107 107 LEU CA C 13 55.103 0.100 . 1 . . . A 98 LEU CA . 18221 1 862 . 1 1 107 107 LEU CB C 13 41.418 0.100 . 1 . . . A 98 LEU CB . 18221 1 863 . 1 1 107 107 LEU CG C 13 26.051 0.100 . 1 . . . A 98 LEU CG . 18221 1 864 . 1 1 107 107 LEU N N 15 117.756 0.100 . 1 . . . A 98 LEU N . 18221 1 865 . 1 1 108 108 GLY H H 1 7.694 0.010 . 1 . . . A 99 GLY H . 18221 1 866 . 1 1 108 108 GLY C C 13 173.815 0.100 . 1 . . . A 99 GLY C . 18221 1 867 . 1 1 108 108 GLY CA C 13 44.947 0.100 . 1 . . . A 99 GLY CA . 18221 1 868 . 1 1 108 108 GLY N N 15 107.285 0.100 . 1 . . . A 99 GLY N . 18221 1 869 . 1 1 109 109 SER H H 1 8.03 0.010 . 1 . . . A 100 SER H . 18221 1 870 . 1 1 109 109 SER C C 13 172.179 0.100 . 1 . . . A 100 SER C . 18221 1 871 . 1 1 109 109 SER CA C 13 56.015 0.100 . 1 . . . A 100 SER CA . 18221 1 872 . 1 1 109 109 SER CB C 13 62.771 0.100 . 1 . . . A 100 SER CB . 18221 1 873 . 1 1 109 109 SER N N 15 117.139 0.100 . 1 . . . A 100 SER N . 18221 1 874 . 1 1 111 111 PRO C C 13 177.073 0.100 . 1 . . . A 102 PRO C . 18221 1 875 . 1 1 111 111 PRO CA C 13 62.199 0.100 . 1 . . . A 102 PRO CA . 18221 1 876 . 1 1 111 111 PRO CB C 13 31.211 0.100 . 1 . . . A 102 PRO CB . 18221 1 877 . 1 1 112 112 SER H H 1 8.345 0.010 . 1 . . . A 103 SER H . 18221 1 878 . 1 1 112 112 SER C C 13 173.898 0.100 . 1 . . . A 103 SER C . 18221 1 879 . 1 1 112 112 SER CA C 13 57.904 0.100 . 1 . . . A 103 SER CA . 18221 1 880 . 1 1 112 112 SER CB C 13 63.36 0.100 . 1 . . . A 103 SER CB . 18221 1 881 . 1 1 112 112 SER N N 15 117.115 0.100 . 1 . . . A 103 SER N . 18221 1 882 . 1 1 113 113 SER H H 1 7.899 0.010 . 1 . . . A 104 SER H . 18221 1 883 . 1 1 113 113 SER CA C 13 59.616 0.100 . 1 . . . A 104 SER CA . 18221 1 884 . 1 1 113 113 SER CB C 13 64.17 0.100 . 1 . . . A 104 SER CB . 18221 1 885 . 1 1 113 113 SER N N 15 123.608 0.100 . 1 . . . A 104 SER N . 18221 1 stop_ save_