data_15458 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15458 _Entry.Title ; NMR Structure of the F0 domain (residues 1-85) of the Talin FERM domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-05 _Entry.Accession_date 2007-09-05 _Entry.Last_release_date 2010-02-18 _Entry.Original_release_date 2010-02-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.109 _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 Benjamin Goult . T. . 15458 2 Paul Elliott . R. . 15458 3 Gordon Roberts . C.K. . 15458 4 David Critchley . R. . 15458 5 Igor Barsukov . L. . 15458 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' . 15458 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID F0 . 15458 FERM . 15458 NMR . 15458 Talin . 15458 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15458 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 365 15458 '15N chemical shifts' 84 15458 '1H chemical shifts' 599 15458 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-02-18 2007-09-05 original author . 15458 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15457 'domain, 1655-1822' 15458 BMRB 15615 'F0F1 double domain' 15458 BMRB 15616 F1 15458 BMRB 15625 'Residues 1815-1973' 15458 BMRB 16930 'F2 domain (residues 196-309)' 15458 BMRB 16932 'F2F3 domain (residues 196-405)' 15458 BMRB 16959 'F1F2 double domain (residues 86-303)' 15458 BMRB 17070 'domain C' 15458 PDB 2KBB 'structure entry' 15458 PDB 2KMA 'structure entry' 15458 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15458 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The NMR structure of the F0F1 double domain from the Talin Ferm domain' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Benjamin Goult . T. . 15458 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15458 _Assembly.ID 1 _Assembly.Name F0 _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 entity 1 $F0_domain_of_Talin A . yes native no no . . . 15458 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_F0_domain_of_Talin _Entity.Sf_category entity _Entity.Sf_framecode F0_domain_of_Talin _Entity.Entry_ID 15458 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name F0_domain_of_Talin _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 ; GIDPFTMVALSLKISIGNVV KTMQFEPSTMVYDACRMIRE RIPEALAGPPNDFGLFLSDD DPKKGIWLEAGKALDYYMLR NGDTMEYRKKQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues -5 to 0 represent a non-native affinity 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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10339.090 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15615 . F0F1 . . . . . 100.00 208 100.00 100.00 9.41e-60 . . . . 15458 1 2 no PDB 2KC1 . "Nmr Structure Of The F0 Domain (Residues 0-85) Of The Talin Ferm Domain" . . . . . 100.00 91 100.00 100.00 9.92e-60 . . . . 15458 1 3 no PDB 2KMA . "Nmr Structure Of The F0f1 Double Domain (Residues 1-202) Of The Talin Ferm Domain" . . . . . 100.00 178 100.00 100.00 1.34e-59 . . . . 15458 1 4 no PDB 3IVF . "Crystal Structure Of The Talin Head Ferm Domain" . . . . . 93.41 371 100.00 100.00 1.38e-52 . . . . 15458 1 5 no DBJ BAC65702 . "mKIAA1027 protein [Mus musculus]" . . . . . 94.51 2564 100.00 100.00 2.50e-52 . . . . 15458 1 6 no DBJ BAE27781 . "unnamed protein product [Mus musculus]" . . . . . 93.41 2541 100.00 100.00 1.14e-51 . . . . 15458 1 7 no EMBL CAA39588 . "talin [Mus musculus]" . . . . . 93.41 2541 100.00 100.00 1.14e-51 . . . . 15458 1 8 no GB AAI50811 . "Talin 1 [Mus musculus]" . . . . . 93.41 2541 100.00 100.00 1.14e-51 . . . . 15458 1 9 no GB EDL02466 . "talin 1, isoform CRA_b [Mus musculus]" . . . . . 93.41 2541 100.00 100.00 1.14e-51 . . . . 15458 1 10 no GB EDL02467 . "talin 1, isoform CRA_b [Mus musculus]" . . . . . 93.41 2541 100.00 100.00 1.14e-51 . . . . 15458 1 11 no GB EDL98751 . "rCG55135, isoform CRA_a [Rattus norvegicus]" . . . . . 94.51 2577 97.67 100.00 3.24e-51 . . . . 15458 1 12 no GB EDL98752 . "rCG55135, isoform CRA_b [Rattus norvegicus]" . . . . . 93.41 2541 97.65 100.00 1.41e-50 . . . . 15458 1 13 no PRF 1617167A . talin . . . . . 93.41 2541 100.00 100.00 1.14e-51 . . . . 15458 1 14 no REF NP_001034114 . "talin-1 [Rattus norvegicus]" . . . . . 93.41 2541 97.65 100.00 1.41e-50 . . . . 15458 1 15 no REF NP_035732 . "talin-1 [Mus musculus]" . . . . . 93.41 2541 100.00 100.00 1.14e-51 . . . . 15458 1 16 no REF XP_002918927 . "PREDICTED: talin-1 [Ailuropoda melanoleuca]" . . . . . 93.41 2541 97.65 100.00 2.56e-50 . . . . 15458 1 17 no REF XP_003341683 . "PREDICTED: LOW QUALITY PROTEIN: talin-1 [Monodelphis domestica]" . . . . . 93.41 2540 98.82 100.00 5.21e-51 . . . . 15458 1 18 no REF XP_003407647 . "PREDICTED: talin-1 [Loxodonta africana]" . . . . . 93.41 2544 97.65 100.00 2.04e-50 . . . . 15458 1 19 no SP P26039 . "RecName: Full=Talin-1" . . . . . 93.41 2541 100.00 100.00 1.14e-51 . . . . 15458 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 -5 GLY . 15458 1 2 -4 ILE . 15458 1 3 -3 ASP . 15458 1 4 -2 PRO . 15458 1 5 -1 PHE . 15458 1 6 0 THR . 15458 1 7 1 MET . 15458 1 8 2 VAL . 15458 1 9 3 ALA . 15458 1 10 4 LEU . 15458 1 11 5 SER . 15458 1 12 6 LEU . 15458 1 13 7 LYS . 15458 1 14 8 ILE . 15458 1 15 9 SER . 15458 1 16 10 ILE . 15458 1 17 11 GLY . 15458 1 18 12 ASN . 15458 1 19 13 VAL . 15458 1 20 14 VAL . 15458 1 21 15 LYS . 15458 1 22 16 THR . 15458 1 23 17 MET . 15458 1 24 18 GLN . 15458 1 25 19 PHE . 15458 1 26 20 GLU . 15458 1 27 21 PRO . 15458 1 28 22 SER . 15458 1 29 23 THR . 15458 1 30 24 MET . 15458 1 31 25 VAL . 15458 1 32 26 TYR . 15458 1 33 27 ASP . 15458 1 34 28 ALA . 15458 1 35 29 CYS . 15458 1 36 30 ARG . 15458 1 37 31 MET . 15458 1 38 32 ILE . 15458 1 39 33 ARG . 15458 1 40 34 GLU . 15458 1 41 35 ARG . 15458 1 42 36 ILE . 15458 1 43 37 PRO . 15458 1 44 38 GLU . 15458 1 45 39 ALA . 15458 1 46 40 LEU . 15458 1 47 41 ALA . 15458 1 48 42 GLY . 15458 1 49 43 PRO . 15458 1 50 44 PRO . 15458 1 51 45 ASN . 15458 1 52 46 ASP . 15458 1 53 47 PHE . 15458 1 54 48 GLY . 15458 1 55 49 LEU . 15458 1 56 50 PHE . 15458 1 57 51 LEU . 15458 1 58 52 SER . 15458 1 59 53 ASP . 15458 1 60 54 ASP . 15458 1 61 55 ASP . 15458 1 62 56 PRO . 15458 1 63 57 LYS . 15458 1 64 58 LYS . 15458 1 65 59 GLY . 15458 1 66 60 ILE . 15458 1 67 61 TRP . 15458 1 68 62 LEU . 15458 1 69 63 GLU . 15458 1 70 64 ALA . 15458 1 71 65 GLY . 15458 1 72 66 LYS . 15458 1 73 67 ALA . 15458 1 74 68 LEU . 15458 1 75 69 ASP . 15458 1 76 70 TYR . 15458 1 77 71 TYR . 15458 1 78 72 MET . 15458 1 79 73 LEU . 15458 1 80 74 ARG . 15458 1 81 75 ASN . 15458 1 82 76 GLY . 15458 1 83 77 ASP . 15458 1 84 78 THR . 15458 1 85 79 MET . 15458 1 86 80 GLU . 15458 1 87 81 TYR . 15458 1 88 82 ARG . 15458 1 89 83 LYS . 15458 1 90 84 LYS . 15458 1 91 85 GLN . 15458 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 . GLY 1 1 15458 1 . ILE 2 2 15458 1 . ASP 3 3 15458 1 . PRO 4 4 15458 1 . PHE 5 5 15458 1 . THR 6 6 15458 1 . MET 7 7 15458 1 . VAL 8 8 15458 1 . ALA 9 9 15458 1 . LEU 10 10 15458 1 . SER 11 11 15458 1 . LEU 12 12 15458 1 . LYS 13 13 15458 1 . ILE 14 14 15458 1 . SER 15 15 15458 1 . ILE 16 16 15458 1 . GLY 17 17 15458 1 . ASN 18 18 15458 1 . VAL 19 19 15458 1 . VAL 20 20 15458 1 . LYS 21 21 15458 1 . THR 22 22 15458 1 . MET 23 23 15458 1 . GLN 24 24 15458 1 . PHE 25 25 15458 1 . GLU 26 26 15458 1 . PRO 27 27 15458 1 . SER 28 28 15458 1 . THR 29 29 15458 1 . MET 30 30 15458 1 . VAL 31 31 15458 1 . TYR 32 32 15458 1 . ASP 33 33 15458 1 . ALA 34 34 15458 1 . CYS 35 35 15458 1 . ARG 36 36 15458 1 . MET 37 37 15458 1 . ILE 38 38 15458 1 . ARG 39 39 15458 1 . GLU 40 40 15458 1 . ARG 41 41 15458 1 . ILE 42 42 15458 1 . PRO 43 43 15458 1 . GLU 44 44 15458 1 . ALA 45 45 15458 1 . LEU 46 46 15458 1 . ALA 47 47 15458 1 . GLY 48 48 15458 1 . PRO 49 49 15458 1 . PRO 50 50 15458 1 . ASN 51 51 15458 1 . ASP 52 52 15458 1 . PHE 53 53 15458 1 . GLY 54 54 15458 1 . LEU 55 55 15458 1 . PHE 56 56 15458 1 . LEU 57 57 15458 1 . SER 58 58 15458 1 . ASP 59 59 15458 1 . ASP 60 60 15458 1 . ASP 61 61 15458 1 . PRO 62 62 15458 1 . LYS 63 63 15458 1 . LYS 64 64 15458 1 . GLY 65 65 15458 1 . ILE 66 66 15458 1 . TRP 67 67 15458 1 . LEU 68 68 15458 1 . GLU 69 69 15458 1 . ALA 70 70 15458 1 . GLY 71 71 15458 1 . LYS 72 72 15458 1 . ALA 73 73 15458 1 . LEU 74 74 15458 1 . ASP 75 75 15458 1 . TYR 76 76 15458 1 . TYR 77 77 15458 1 . MET 78 78 15458 1 . LEU 79 79 15458 1 . ARG 80 80 15458 1 . ASN 81 81 15458 1 . GLY 82 82 15458 1 . ASP 83 83 15458 1 . THR 84 84 15458 1 . MET 85 85 15458 1 . GLU 86 86 15458 1 . TYR 87 87 15458 1 . ARG 88 88 15458 1 . LYS 89 89 15458 1 . LYS 90 90 15458 1 . GLN 91 91 15458 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 15458 _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 $F0_domain_of_Talin . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . TLN1 . . . . 15458 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 15458 _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 $F0_domain_of_Talin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . PET-151 . . . . . . 15458 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_double-labelled _Sample.Sf_category sample _Sample.Sf_framecode double-labelled _Sample.Entry_ID 15458 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C, 15N F0' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'F0 domain of Talin' '[U-100% 13C; U-100% 15N]' . . 1 $F0_domain_of_Talin . . 1 . . mM . . . . 15458 1 2 NaCl . . . . . . . 50 . . mM . . . . 15458 1 stop_ save_ save_single-labelled _Sample.Sf_category sample _Sample.Sf_framecode single-labelled _Sample.Entry_ID 15458 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labeled F0' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'F0 domain of Talin' '[U-100% 15N]' . . 1 $F0_domain_of_Talin . . 1 . . mM . . . . 15458 2 2 NaCl . . . . . . . 50 . . mM . . . . 15458 2 stop_ save_ save_unlabelled _Sample.Sf_category sample _Sample.Sf_framecode unlabelled _Sample.Entry_ID 15458 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'unlabelled F0' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'F0 domain of Talin' 'natural abundance' . . 1 $F0_domain_of_Talin . . 1 . . mM . . . . 15458 3 2 NaCl . . . . . . . 50 . . mM . . . . 15458 3 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 15458 _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' 50 . mM 15458 1 pH 6.5 . pH 15458 1 pressure 1 . atm 15458 1 temperature 298 . K 15458 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15458 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15458 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15458 1 processing 15458 1 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 15458 _Software.ID 2 _Software.Name CcpNMR _Software.Version 11 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 15458 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15458 2 'data analysis' 15458 2 'peak picking' 15458 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15458 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15458 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15458 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15458 _Software.ID 4 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 15458 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15458 4 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 15458 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15458 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15458 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15458 _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 . 600 . . . 15458 1 2 spectrometer_2 Bruker DRX . 600 'with cryoprobe' . . 15458 1 3 spectrometer_3 Bruker DRX . 800 'with cryoprobe' . . 15458 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 15458 _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 . . . . . . . . . . 2 $single-labelled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15458 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $double-labelled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15458 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $double-labelled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15458 1 4 '3D HNCO' no . . . . . . . . . . 1 $double-labelled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15458 1 5 '3D HNCA' no . . . . . . . . . . 1 $double-labelled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15458 1 6 '3D HNCACB' no . . . . . . . . . . 1 $double-labelled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15458 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $double-labelled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15458 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $double-labelled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15458 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $single-labelled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15458 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $double-labelled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15458 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 15458 _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 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15458 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15458 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15458 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 15458 _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 0.015 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 15458 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 1 1 GLY HA2 H 1 3.865 0.015 . 1 . . . . 1 GLY HA2 . 15458 1 2 . 1 1 1 1 GLY HA3 H 1 3.865 0.015 . 1 . . . . 1 GLY HA3 . 15458 1 3 . 1 1 1 1 GLY CA C 13 45.178 0.2 . 1 . . . . 1 GLY CA . 15458 1 4 . 1 1 2 2 ILE HA H 1 4.113 0.015 . 1 . . . . 2 ILE HA . 15458 1 5 . 1 1 2 2 ILE HB H 1 1.725 0.015 . 1 . . . . 2 ILE HB . 15458 1 6 . 1 1 2 2 ILE HD11 H 1 0.760 0.015 . 1 . . . . 2 ILE HD11 . 15458 1 7 . 1 1 2 2 ILE HD12 H 1 0.760 0.015 . 1 . . . . 2 ILE HD12 . 15458 1 8 . 1 1 2 2 ILE HD13 H 1 0.760 0.015 . 1 . . . . 2 ILE HD13 . 15458 1 9 . 1 1 2 2 ILE HG12 H 1 1.070 0.015 . 1 . . . . 2 ILE HG12 . 15458 1 10 . 1 1 2 2 ILE HG13 H 1 1.342 0.015 . 1 . . . . 2 ILE HG13 . 15458 1 11 . 1 1 2 2 ILE HG21 H 1 0.783 0.015 . 1 . . . . 2 ILE HG21 . 15458 1 12 . 1 1 2 2 ILE HG22 H 1 0.783 0.015 . 1 . . . . 2 ILE HG22 . 15458 1 13 . 1 1 2 2 ILE HG23 H 1 0.783 0.015 . 1 . . . . 2 ILE HG23 . 15458 1 14 . 1 1 2 2 ILE C C 13 175.633 0.2 . 1 . . . . 2 ILE C . 15458 1 15 . 1 1 2 2 ILE CA C 13 60.578 0.2 . 1 . . . . 2 ILE CA . 15458 1 16 . 1 1 2 2 ILE CB C 13 38.699 0.2 . 1 . . . . 2 ILE CB . 15458 1 17 . 1 1 2 2 ILE CD1 C 13 12.737 0.2 . 1 . . . . 2 ILE CD1 . 15458 1 18 . 1 1 2 2 ILE CG1 C 13 26.801 0.002 . 1 . . . . 2 ILE CG1 . 15458 1 19 . 1 1 2 2 ILE CG2 C 13 17.157 0.2 . 1 . . . . 2 ILE CG2 . 15458 1 20 . 1 1 3 3 ASP H H 1 8.368 0.015 . 1 . . . . 3 ASP H . 15458 1 21 . 1 1 3 3 ASP HA H 1 4.796 0.015 . 1 . . . . 3 ASP HA . 15458 1 22 . 1 1 3 3 ASP HB2 H 1 2.474 0.015 . 1 . . . . 3 ASP HB2 . 15458 1 23 . 1 1 3 3 ASP HB3 H 1 2.668 0.015 . 1 . . . . 3 ASP HB3 . 15458 1 24 . 1 1 3 3 ASP CA C 13 51.807 0.2 . 1 . . . . 3 ASP CA . 15458 1 25 . 1 1 3 3 ASP CB C 13 40.957 0.2 . 1 . . . . 3 ASP CB . 15458 1 26 . 1 1 3 3 ASP N N 15 126.280 0.2 . 1 . . . . 3 ASP N . 15458 1 27 . 1 1 4 4 PRO HA H 1 4.250 0.015 . 1 . . . . 4 PRO HA . 15458 1 28 . 1 1 4 4 PRO HB2 H 1 1.594 0.015 . 1 . . . . 4 PRO HB2 . 15458 1 29 . 1 1 4 4 PRO HB3 H 1 2.090 0.015 . 1 . . . . 4 PRO HB3 . 15458 1 30 . 1 1 4 4 PRO HD2 H 1 3.674 0.015 . 1 . . . . 4 PRO HD2 . 15458 1 31 . 1 1 4 4 PRO HD3 H 1 3.793 0.015 . 1 . . . . 4 PRO HD3 . 15458 1 32 . 1 1 4 4 PRO HG2 H 1 1.697 0.015 . 1 . . . . 4 PRO HG2 . 15458 1 33 . 1 1 4 4 PRO HG3 H 1 1.841 0.015 . 1 . . . . 4 PRO HG3 . 15458 1 34 . 1 1 4 4 PRO C C 13 176.876 0.2 . 1 . . . . 4 PRO C . 15458 1 35 . 1 1 4 4 PRO CA C 13 63.231 0.2 . 1 . . . . 4 PRO CA . 15458 1 36 . 1 1 4 4 PRO CB C 13 31.615 0.016 . 1 . . . . 4 PRO CB . 15458 1 37 . 1 1 4 4 PRO CD C 13 50.510 0.007 . 1 . . . . 4 PRO CD . 15458 1 38 . 1 1 4 4 PRO CG C 13 26.547 0.002 . 1 . . . . 4 PRO CG . 15458 1 39 . 1 1 5 5 PHE H H 1 8.160 0.015 . 1 . . . . 5 PHE H . 15458 1 40 . 1 1 5 5 PHE HA H 1 4.527 0.015 . 1 . . . . 5 PHE HA . 15458 1 41 . 1 1 5 5 PHE HB2 H 1 2.986 0.015 . 1 . . . . 5 PHE HB2 . 15458 1 42 . 1 1 5 5 PHE HB3 H 1 3.104 0.015 . 1 . . . . 5 PHE HB3 . 15458 1 43 . 1 1 5 5 PHE C C 13 176.097 0.2 . 1 . . . . 5 PHE C . 15458 1 44 . 1 1 5 5 PHE CA C 13 57.945 0.2 . 1 . . . . 5 PHE CA . 15458 1 45 . 1 1 5 5 PHE CB C 13 38.760 0.004 . 1 . . . . 5 PHE CB . 15458 1 46 . 1 1 5 5 PHE N N 15 118.623 0.2 . 1 . . . . 5 PHE N . 15458 1 47 . 1 1 6 6 THR H H 1 8.029 0.015 . 1 . . . . 6 THR H . 15458 1 48 . 1 1 6 6 THR HA H 1 4.194 0.015 . 1 . . . . 6 THR HA . 15458 1 49 . 1 1 6 6 THR HB H 1 4.132 0.015 . 1 . . . . 6 THR HB . 15458 1 50 . 1 1 6 6 THR HG21 H 1 1.131 0.015 . 1 . . . . 6 THR HG21 . 15458 1 51 . 1 1 6 6 THR HG22 H 1 1.131 0.015 . 1 . . . . 6 THR HG22 . 15458 1 52 . 1 1 6 6 THR HG23 H 1 1.131 0.015 . 1 . . . . 6 THR HG23 . 15458 1 53 . 1 1 6 6 THR C C 13 174.333 0.2 . 1 . . . . 6 THR C . 15458 1 54 . 1 1 6 6 THR CA C 13 61.978 0.2 . 1 . . . . 6 THR CA . 15458 1 55 . 1 1 6 6 THR CB C 13 69.621 0.2 . 1 . . . . 6 THR CB . 15458 1 56 . 1 1 6 6 THR CG2 C 13 21.180 0.2 . 1 . . . . 6 THR CG2 . 15458 1 57 . 1 1 6 6 THR N N 15 114.670 0.2 . 1 . . . . 6 THR N . 15458 1 58 . 1 1 7 7 MET H H 1 8.138 0.015 . 1 . . . . 7 MET H . 15458 1 59 . 1 1 7 7 MET HA H 1 4.397 0.015 . 1 . . . . 7 MET HA . 15458 1 60 . 1 1 7 7 MET HB2 H 1 1.958 0.015 . 1 . . . . 7 MET HB2 . 15458 1 61 . 1 1 7 7 MET HB3 H 1 2.037 0.015 . 1 . . . . 7 MET HB3 . 15458 1 62 . 1 1 7 7 MET HG2 H 1 2.528 0.015 . 1 . . . . 7 MET HG2 . 15458 1 63 . 1 1 7 7 MET HG3 H 1 2.463 0.015 . 1 . . . . 7 MET HG3 . 15458 1 64 . 1 1 7 7 MET C C 13 175.747 0.2 . 1 . . . . 7 MET C . 15458 1 65 . 1 1 7 7 MET CA C 13 55.489 0.2 . 1 . . . . 7 MET CA . 15458 1 66 . 1 1 7 7 MET CB C 13 32.574 0.005 . 1 . . . . 7 MET CB . 15458 1 67 . 1 1 7 7 MET CG C 13 31.682 0.001 . 1 . . . . 7 MET CG . 15458 1 68 . 1 1 7 7 MET N N 15 121.990 0.2 . 1 . . . . 7 MET N . 15458 1 69 . 1 1 8 8 VAL H H 1 7.971 0.015 . 1 . . . . 8 VAL H . 15458 1 70 . 1 1 8 8 VAL HA H 1 4.108 0.015 . 1 . . . . 8 VAL HA . 15458 1 71 . 1 1 8 8 VAL HB H 1 2.053 0.015 . 1 . . . . 8 VAL HB . 15458 1 72 . 1 1 8 8 VAL HG11 H 1 0.860 0.015 . 1 . . . . 8 VAL HG11 . 15458 1 73 . 1 1 8 8 VAL HG12 H 1 0.860 0.015 . 1 . . . . 8 VAL HG12 . 15458 1 74 . 1 1 8 8 VAL HG13 H 1 0.860 0.015 . 1 . . . . 8 VAL HG13 . 15458 1 75 . 1 1 8 8 VAL HG21 H 1 0.866 0.015 . 1 . . . . 8 VAL HG21 . 15458 1 76 . 1 1 8 8 VAL HG22 H 1 0.866 0.015 . 1 . . . . 8 VAL HG22 . 15458 1 77 . 1 1 8 8 VAL HG23 H 1 0.866 0.015 . 1 . . . . 8 VAL HG23 . 15458 1 78 . 1 1 8 8 VAL C C 13 174.858 0.2 . 1 . . . . 8 VAL C . 15458 1 79 . 1 1 8 8 VAL CA C 13 61.629 0.2 . 1 . . . . 8 VAL CA . 15458 1 80 . 1 1 8 8 VAL CB C 13 32.254 0.2 . 1 . . . . 8 VAL CB . 15458 1 81 . 1 1 8 8 VAL CG1 C 13 19.933 0.2 . 1 . . . . 8 VAL CG1 . 15458 1 82 . 1 1 8 8 VAL CG2 C 13 20.992 0.2 . 1 . . . . 8 VAL CG2 . 15458 1 83 . 1 1 8 8 VAL N N 15 119.781 0.2 . 1 . . . . 8 VAL N . 15458 1 84 . 1 1 9 9 ALA H H 1 7.850 0.015 . 1 . . . . 9 ALA H . 15458 1 85 . 1 1 9 9 ALA HA H 1 4.276 0.015 . 1 . . . . 9 ALA HA . 15458 1 86 . 1 1 9 9 ALA HB1 H 1 1.101 0.015 . 1 . . . . 9 ALA HB1 . 15458 1 87 . 1 1 9 9 ALA HB2 H 1 1.101 0.015 . 1 . . . . 9 ALA HB2 . 15458 1 88 . 1 1 9 9 ALA HB3 H 1 1.101 0.015 . 1 . . . . 9 ALA HB3 . 15458 1 89 . 1 1 9 9 ALA C C 13 176.490 0.2 . 1 . . . . 9 ALA C . 15458 1 90 . 1 1 9 9 ALA CA C 13 51.872 0.2 . 1 . . . . 9 ALA CA . 15458 1 91 . 1 1 9 9 ALA CB C 13 19.740 0.2 . 1 . . . . 9 ALA CB . 15458 1 92 . 1 1 9 9 ALA N N 15 124.827 0.2 . 1 . . . . 9 ALA N . 15458 1 93 . 1 1 10 10 LEU H H 1 8.724 0.015 . 1 . . . . 10 LEU H . 15458 1 94 . 1 1 10 10 LEU HA H 1 4.706 0.015 . 1 . . . . 10 LEU HA . 15458 1 95 . 1 1 10 10 LEU HB2 H 1 1.575 0.015 . 1 . . . . 10 LEU HB2 . 15458 1 96 . 1 1 10 10 LEU HB3 H 1 1.280 0.015 . 1 . . . . 10 LEU HB3 . 15458 1 97 . 1 1 10 10 LEU HD11 H 1 0.689 0.015 . 1 . . . . 10 LEU HD11 . 15458 1 98 . 1 1 10 10 LEU HD12 H 1 0.689 0.015 . 1 . . . . 10 LEU HD12 . 15458 1 99 . 1 1 10 10 LEU HD13 H 1 0.689 0.015 . 1 . . . . 10 LEU HD13 . 15458 1 100 . 1 1 10 10 LEU HD21 H 1 0.707 0.015 . 1 . . . . 10 LEU HD21 . 15458 1 101 . 1 1 10 10 LEU HD22 H 1 0.707 0.015 . 1 . . . . 10 LEU HD22 . 15458 1 102 . 1 1 10 10 LEU HD23 H 1 0.707 0.015 . 1 . . . . 10 LEU HD23 . 15458 1 103 . 1 1 10 10 LEU HG H 1 1.475 0.015 . 1 . . . . 10 LEU HG . 15458 1 104 . 1 1 10 10 LEU C C 13 175.893 0.2 . 1 . . . . 10 LEU C . 15458 1 105 . 1 1 10 10 LEU CA C 13 53.353 0.2 . 1 . . . . 10 LEU CA . 15458 1 106 . 1 1 10 10 LEU CB C 13 44.307 0.013 . 1 . . . . 10 LEU CB . 15458 1 107 . 1 1 10 10 LEU CD1 C 13 24.510 0.2 . 1 . . . . 10 LEU CD1 . 15458 1 108 . 1 1 10 10 LEU CD2 C 13 24.020 0.2 . 1 . . . . 10 LEU CD2 . 15458 1 109 . 1 1 10 10 LEU CG C 13 26.905 0.2 . 1 . . . . 10 LEU CG . 15458 1 110 . 1 1 10 10 LEU N N 15 122.185 0.2 . 1 . . . . 10 LEU N . 15458 1 111 . 1 1 11 11 SER H H 1 8.644 0.015 . 1 . . . . 11 SER H . 15458 1 112 . 1 1 11 11 SER HA H 1 4.892 0.015 . 1 . . . . 11 SER HA . 15458 1 113 . 1 1 11 11 SER HB2 H 1 3.548 0.015 . 1 . . . . 11 SER HB2 . 15458 1 114 . 1 1 11 11 SER HB3 H 1 3.588 0.015 . 1 . . . . 11 SER HB3 . 15458 1 115 . 1 1 11 11 SER C C 13 173.954 0.2 . 1 . . . . 11 SER C . 15458 1 116 . 1 1 11 11 SER CA C 13 56.815 0.2 . 1 . . . . 11 SER CA . 15458 1 117 . 1 1 11 11 SER CB C 13 62.724 0.006 . 1 . . . . 11 SER CB . 15458 1 118 . 1 1 11 11 SER N N 15 119.845 0.2 . 1 . . . . 11 SER N . 15458 1 119 . 1 1 12 12 LEU H H 1 8.898 0.015 . 1 . . . . 12 LEU H . 15458 1 120 . 1 1 12 12 LEU HA H 1 4.971 0.015 . 1 . . . . 12 LEU HA . 15458 1 121 . 1 1 12 12 LEU HB2 H 1 1.309 0.015 . 1 . . . . 12 LEU HB2 . 15458 1 122 . 1 1 12 12 LEU HB3 H 1 1.635 0.015 . 1 . . . . 12 LEU HB3 . 15458 1 123 . 1 1 12 12 LEU HD11 H 1 0.703 0.015 . 1 . . . . 12 LEU HD11 . 15458 1 124 . 1 1 12 12 LEU HD12 H 1 0.703 0.015 . 1 . . . . 12 LEU HD12 . 15458 1 125 . 1 1 12 12 LEU HD13 H 1 0.703 0.015 . 1 . . . . 12 LEU HD13 . 15458 1 126 . 1 1 12 12 LEU HD21 H 1 1.552 0.015 . 1 . . . . 12 LEU HD21 . 15458 1 127 . 1 1 12 12 LEU HD22 H 1 1.552 0.015 . 1 . . . . 12 LEU HD22 . 15458 1 128 . 1 1 12 12 LEU HD23 H 1 1.552 0.015 . 1 . . . . 12 LEU HD23 . 15458 1 129 . 1 1 12 12 LEU HG H 1 0.878 0.015 . 1 . . . . 12 LEU HG . 15458 1 130 . 1 1 12 12 LEU C C 13 175.033 0.2 . 1 . . . . 12 LEU C . 15458 1 131 . 1 1 12 12 LEU CA C 13 52.463 0.2 . 1 . . . . 12 LEU CA . 15458 1 132 . 1 1 12 12 LEU CB C 13 45.564 0.005 . 1 . . . . 12 LEU CB . 15458 1 133 . 1 1 12 12 LEU CD1 C 13 25.945 0.2 . 1 . . . . 12 LEU CD1 . 15458 1 134 . 1 1 12 12 LEU CD2 C 13 26.728 0.2 . 1 . . . . 12 LEU CD2 . 15458 1 135 . 1 1 12 12 LEU CG C 13 24.644 0.2 . 1 . . . . 12 LEU CG . 15458 1 136 . 1 1 12 12 LEU N N 15 126.342 0.2 . 1 . . . . 12 LEU N . 15458 1 137 . 1 1 13 13 LYS H H 1 8.661 0.015 . 1 . . . . 13 LYS H . 15458 1 138 . 1 1 13 13 LYS HA H 1 4.500 0.015 . 1 . . . . 13 LYS HA . 15458 1 139 . 1 1 13 13 LYS HB2 H 1 1.817 0.015 . 1 . . . . 13 LYS HB2 . 15458 1 140 . 1 1 13 13 LYS HB3 H 1 1.331 0.015 . 1 . . . . 13 LYS HB3 . 15458 1 141 . 1 1 13 13 LYS HD2 H 1 1.463 0.015 . 1 . . . . 13 LYS HD2 . 15458 1 142 . 1 1 13 13 LYS HD3 H 1 1.463 0.015 . 1 . . . . 13 LYS HD3 . 15458 1 143 . 1 1 13 13 LYS HE2 H 1 2.799 0.015 . 1 . . . . 13 LYS HE2 . 15458 1 144 . 1 1 13 13 LYS HE3 H 1 2.799 0.015 . 1 . . . . 13 LYS HE3 . 15458 1 145 . 1 1 13 13 LYS HG2 H 1 1.199 0.015 . 1 . . . . 13 LYS HG2 . 15458 1 146 . 1 1 13 13 LYS HG3 H 1 1.144 0.015 . 1 . . . . 13 LYS HG3 . 15458 1 147 . 1 1 13 13 LYS C C 13 174.391 0.2 . 1 . . . . 13 LYS C . 15458 1 148 . 1 1 13 13 LYS CA C 13 55.399 0.2 . 1 . . . . 13 LYS CA . 15458 1 149 . 1 1 13 13 LYS CB C 13 32.618 0.012 . 1 . . . . 13 LYS CB . 15458 1 150 . 1 1 13 13 LYS CD C 13 28.983 0.2 . 1 . . . . 13 LYS CD . 15458 1 151 . 1 1 13 13 LYS CE C 13 41.872 0.2 . 1 . . . . 13 LYS CE . 15458 1 152 . 1 1 13 13 LYS CG C 13 25.172 0.015 . 1 . . . . 13 LYS CG . 15458 1 153 . 1 1 13 13 LYS N N 15 121.076 0.2 . 1 . . . . 13 LYS N . 15458 1 154 . 1 1 14 14 ILE H H 1 9.029 0.015 . 1 . . . . 14 ILE H . 15458 1 155 . 1 1 14 14 ILE HA H 1 4.906 0.015 . 1 . . . . 14 ILE HA . 15458 1 156 . 1 1 14 14 ILE HB H 1 2.078 0.015 . 1 . . . . 14 ILE HB . 15458 1 157 . 1 1 14 14 ILE HD11 H 1 0.711 0.015 . 1 . . . . 14 ILE HD11 . 15458 1 158 . 1 1 14 14 ILE HD12 H 1 0.711 0.015 . 1 . . . . 14 ILE HD12 . 15458 1 159 . 1 1 14 14 ILE HD13 H 1 0.711 0.015 . 1 . . . . 14 ILE HD13 . 15458 1 160 . 1 1 14 14 ILE HG12 H 1 1.657 0.015 . 1 . . . . 14 ILE HG12 . 15458 1 161 . 1 1 14 14 ILE HG13 H 1 1.413 0.015 . 1 . . . . 14 ILE HG13 . 15458 1 162 . 1 1 14 14 ILE HG21 H 1 0.736 0.015 . 1 . . . . 14 ILE HG21 . 15458 1 163 . 1 1 14 14 ILE HG22 H 1 0.736 0.015 . 1 . . . . 14 ILE HG22 . 15458 1 164 . 1 1 14 14 ILE HG23 H 1 0.736 0.015 . 1 . . . . 14 ILE HG23 . 15458 1 165 . 1 1 14 14 ILE C C 13 175.208 0.2 . 1 . . . . 14 ILE C . 15458 1 166 . 1 1 14 14 ILE CA C 13 57.177 0.2 . 1 . . . . 14 ILE CA . 15458 1 167 . 1 1 14 14 ILE CB C 13 36.791 0.2 . 1 . . . . 14 ILE CB . 15458 1 168 . 1 1 14 14 ILE CD1 C 13 10.918 0.2 . 1 . . . . 14 ILE CD1 . 15458 1 169 . 1 1 14 14 ILE CG1 C 13 26.555 0.013 . 1 . . . . 14 ILE CG1 . 15458 1 170 . 1 1 14 14 ILE CG2 C 13 17.105 0.2 . 1 . . . . 14 ILE CG2 . 15458 1 171 . 1 1 14 14 ILE N N 15 124.296 0.2 . 1 . . . . 14 ILE N . 15458 1 172 . 1 1 15 15 SER H H 1 8.839 0.015 . 1 . . . . 15 SER H . 15458 1 173 . 1 1 15 15 SER HA H 1 5.295 0.015 . 1 . . . . 15 SER HA . 15458 1 174 . 1 1 15 15 SER HB2 H 1 3.575 0.015 . 1 . . . . 15 SER HB2 . 15458 1 175 . 1 1 15 15 SER HB3 H 1 3.667 0.015 . 1 . . . . 15 SER HB3 . 15458 1 176 . 1 1 15 15 SER C C 13 173.925 0.2 . 1 . . . . 15 SER C . 15458 1 177 . 1 1 15 15 SER CA C 13 55.868 0.2 . 1 . . . . 15 SER CA . 15458 1 178 . 1 1 15 15 SER CB C 13 64.218 0.015 . 1 . . . . 15 SER CB . 15458 1 179 . 1 1 15 15 SER N N 15 121.544 0.2 . 1 . . . . 15 SER N . 15458 1 180 . 1 1 16 16 ILE H H 1 8.884 0.015 . 1 . . . . 16 ILE H . 15458 1 181 . 1 1 16 16 ILE HA H 1 4.622 0.015 . 1 . . . . 16 ILE HA . 15458 1 182 . 1 1 16 16 ILE HB H 1 1.815 0.015 . 1 . . . . 16 ILE HB . 15458 1 183 . 1 1 16 16 ILE HD11 H 1 0.688 0.015 . 1 . . . . 16 ILE HD11 . 15458 1 184 . 1 1 16 16 ILE HD12 H 1 0.688 0.015 . 1 . . . . 16 ILE HD12 . 15458 1 185 . 1 1 16 16 ILE HD13 H 1 0.688 0.015 . 1 . . . . 16 ILE HD13 . 15458 1 186 . 1 1 16 16 ILE HG12 H 1 1.580 0.015 . 1 . . . . 16 ILE HG12 . 15458 1 187 . 1 1 16 16 ILE HG13 H 1 1.171 0.015 . 1 . . . . 16 ILE HG13 . 15458 1 188 . 1 1 16 16 ILE HG21 H 1 0.877 0.015 . 1 . . . . 16 ILE HG21 . 15458 1 189 . 1 1 16 16 ILE HG22 H 1 0.877 0.015 . 1 . . . . 16 ILE HG22 . 15458 1 190 . 1 1 16 16 ILE HG23 H 1 0.877 0.015 . 1 . . . . 16 ILE HG23 . 15458 1 191 . 1 1 16 16 ILE C C 13 176.268 0.2 . 1 . . . . 16 ILE C . 15458 1 192 . 1 1 16 16 ILE CA C 13 60.037 0.2 . 1 . . . . 16 ILE CA . 15458 1 193 . 1 1 16 16 ILE CB C 13 39.264 0.2 . 1 . . . . 16 ILE CB . 15458 1 194 . 1 1 16 16 ILE CD1 C 13 15.110 0.2 . 1 . . . . 16 ILE CD1 . 15458 1 195 . 1 1 16 16 ILE CG1 C 13 27.748 0.005 . 1 . . . . 16 ILE CG1 . 15458 1 196 . 1 1 16 16 ILE CG2 C 13 17.625 0.2 . 1 . . . . 16 ILE CG2 . 15458 1 197 . 1 1 16 16 ILE N N 15 126.921 0.2 . 1 . . . . 16 ILE N . 15458 1 198 . 1 1 17 17 GLY H H 1 9.116 0.015 . 1 . . . . 17 GLY H . 15458 1 199 . 1 1 17 17 GLY HA2 H 1 3.667 0.015 . 1 . . . . 17 GLY HA2 . 15458 1 200 . 1 1 17 17 GLY HA3 H 1 3.958 0.015 . 1 . . . . 17 GLY HA3 . 15458 1 201 . 1 1 17 17 GLY CA C 13 47.191 0.005 . 1 . . . . 17 GLY CA . 15458 1 202 . 1 1 17 17 GLY N N 15 117.554 0.2 . 1 . . . . 17 GLY N . 15458 1 203 . 1 1 18 18 ASN HA H 1 4.651 0.015 . 1 . . . . 18 ASN HA . 15458 1 204 . 1 1 18 18 ASN HB2 H 1 2.823 0.015 . 1 . . . . 18 ASN HB2 . 15458 1 205 . 1 1 18 18 ASN HB3 H 1 2.856 0.015 . 1 . . . . 18 ASN HB3 . 15458 1 206 . 1 1 18 18 ASN C C 13 174.566 0.2 . 1 . . . . 18 ASN C . 15458 1 207 . 1 1 18 18 ASN CA C 13 53.044 0.2 . 1 . . . . 18 ASN CA . 15458 1 208 . 1 1 18 18 ASN CB C 13 38.229 0.007 . 1 . . . . 18 ASN CB . 15458 1 209 . 1 1 19 19 VAL H H 1 8.089 0.015 . 1 . . . . 19 VAL H . 15458 1 210 . 1 1 19 19 VAL HA H 1 4.219 0.015 . 1 . . . . 19 VAL HA . 15458 1 211 . 1 1 19 19 VAL HB H 1 2.179 0.015 . 1 . . . . 19 VAL HB . 15458 1 212 . 1 1 19 19 VAL HG11 H 1 0.822 0.015 . 1 . . . . 19 VAL HG11 . 15458 1 213 . 1 1 19 19 VAL HG12 H 1 0.822 0.015 . 1 . . . . 19 VAL HG12 . 15458 1 214 . 1 1 19 19 VAL HG13 H 1 0.822 0.015 . 1 . . . . 19 VAL HG13 . 15458 1 215 . 1 1 19 19 VAL HG21 H 1 0.914 0.015 . 1 . . . . 19 VAL HG21 . 15458 1 216 . 1 1 19 19 VAL HG22 H 1 0.914 0.015 . 1 . . . . 19 VAL HG22 . 15458 1 217 . 1 1 19 19 VAL HG23 H 1 0.914 0.015 . 1 . . . . 19 VAL HG23 . 15458 1 218 . 1 1 19 19 VAL C C 13 175.866 0.2 . 1 . . . . 19 VAL C . 15458 1 219 . 1 1 19 19 VAL CA C 13 61.620 0.2 . 1 . . . . 19 VAL CA . 15458 1 220 . 1 1 19 19 VAL CB C 13 33.440 0.2 . 1 . . . . 19 VAL CB . 15458 1 221 . 1 1 19 19 VAL CG1 C 13 20.703 0.2 . 1 . . . . 19 VAL CG1 . 15458 1 222 . 1 1 19 19 VAL CG2 C 13 20.620 0.2 . 1 . . . . 19 VAL CG2 . 15458 1 223 . 1 1 19 19 VAL N N 15 120.985 0.2 . 1 . . . . 19 VAL N . 15458 1 224 . 1 1 20 20 VAL H H 1 8.206 0.015 . 1 . . . . 20 VAL H . 15458 1 225 . 1 1 20 20 VAL HA H 1 4.995 0.015 . 1 . . . . 20 VAL HA . 15458 1 226 . 1 1 20 20 VAL HB H 1 1.792 0.015 . 1 . . . . 20 VAL HB . 15458 1 227 . 1 1 20 20 VAL HG11 H 1 0.778 0.015 . 1 . . . . 20 VAL HG11 . 15458 1 228 . 1 1 20 20 VAL HG12 H 1 0.778 0.015 . 1 . . . . 20 VAL HG12 . 15458 1 229 . 1 1 20 20 VAL HG13 H 1 0.778 0.015 . 1 . . . . 20 VAL HG13 . 15458 1 230 . 1 1 20 20 VAL HG21 H 1 0.707 0.015 . 1 . . . . 20 VAL HG21 . 15458 1 231 . 1 1 20 20 VAL HG22 H 1 0.707 0.015 . 1 . . . . 20 VAL HG22 . 15458 1 232 . 1 1 20 20 VAL HG23 H 1 0.707 0.015 . 1 . . . . 20 VAL HG23 . 15458 1 233 . 1 1 20 20 VAL C C 13 175.706 0.2 . 1 . . . . 20 VAL C . 15458 1 234 . 1 1 20 20 VAL CA C 13 60.648 0.2 . 1 . . . . 20 VAL CA . 15458 1 235 . 1 1 20 20 VAL CB C 13 33.666 0.2 . 1 . . . . 20 VAL CB . 15458 1 236 . 1 1 20 20 VAL CG1 C 13 20.781 0.2 . 1 . . . . 20 VAL CG1 . 15458 1 237 . 1 1 20 20 VAL CG2 C 13 21.106 0.2 . 1 . . . . 20 VAL CG2 . 15458 1 238 . 1 1 20 20 VAL N N 15 124.968 0.2 . 1 . . . . 20 VAL N . 15458 1 239 . 1 1 21 21 LYS H H 1 8.907 0.015 . 1 . . . . 21 LYS H . 15458 1 240 . 1 1 21 21 LYS HA H 1 4.680 0.015 . 1 . . . . 21 LYS HA . 15458 1 241 . 1 1 21 21 LYS HB2 H 1 1.475 0.015 . 1 . . . . 21 LYS HB2 . 15458 1 242 . 1 1 21 21 LYS HB3 H 1 1.704 0.015 . 1 . . . . 21 LYS HB3 . 15458 1 243 . 1 1 21 21 LYS HD2 H 1 1.580 0.015 . 1 . . . . 21 LYS HD2 . 15458 1 244 . 1 1 21 21 LYS HD3 H 1 1.670 0.015 . 1 . . . . 21 LYS HD3 . 15458 1 245 . 1 1 21 21 LYS HE2 H 1 2.801 0.015 . 1 . . . . 21 LYS HE2 . 15458 1 246 . 1 1 21 21 LYS HE3 H 1 2.906 0.015 . 1 . . . . 21 LYS HE3 . 15458 1 247 . 1 1 21 21 LYS HG2 H 1 1.246 0.015 . 1 . . . . 21 LYS HG2 . 15458 1 248 . 1 1 21 21 LYS HG3 H 1 1.303 0.015 . 1 . . . . 21 LYS HG3 . 15458 1 249 . 1 1 21 21 LYS C C 13 175.152 0.2 . 1 . . . . 21 LYS C . 15458 1 250 . 1 1 21 21 LYS CA C 13 53.353 0.2 . 1 . . . . 21 LYS CA . 15458 1 251 . 1 1 21 21 LYS CB C 13 35.713 0.005 . 1 . . . . 21 LYS CB . 15458 1 252 . 1 1 21 21 LYS CD C 13 28.408 0.008 . 1 . . . . 21 LYS CD . 15458 1 253 . 1 1 21 21 LYS CE C 13 41.822 0.2 . 1 . . . . 21 LYS CE . 15458 1 254 . 1 1 21 21 LYS CG C 13 24.451 0.002 . 1 . . . . 21 LYS CG . 15458 1 255 . 1 1 21 21 LYS N N 15 127.411 0.2 . 1 . . . . 21 LYS N . 15458 1 256 . 1 1 22 22 THR H H 1 8.608 0.015 . 1 . . . . 22 THR H . 15458 1 257 . 1 1 22 22 THR HA H 1 4.958 0.015 . 1 . . . . 22 THR HA . 15458 1 258 . 1 1 22 22 THR HB H 1 3.869 0.015 . 1 . . . . 22 THR HB . 15458 1 259 . 1 1 22 22 THR HG21 H 1 0.935 0.015 . 1 . . . . 22 THR HG21 . 15458 1 260 . 1 1 22 22 THR HG22 H 1 0.935 0.015 . 1 . . . . 22 THR HG22 . 15458 1 261 . 1 1 22 22 THR HG23 H 1 0.935 0.015 . 1 . . . . 22 THR HG23 . 15458 1 262 . 1 1 22 22 THR C C 13 174.333 0.2 . 1 . . . . 22 THR C . 15458 1 263 . 1 1 22 22 THR CA C 13 62.389 0.2 . 1 . . . . 22 THR CA . 15458 1 264 . 1 1 22 22 THR CB C 13 68.688 0.2 . 1 . . . . 22 THR CB . 15458 1 265 . 1 1 22 22 THR CG2 C 13 21.324 0.2 . 1 . . . . 22 THR CG2 . 15458 1 266 . 1 1 22 22 THR N N 15 120.316 0.2 . 1 . . . . 22 THR N . 15458 1 267 . 1 1 23 23 MET H H 1 9.137 0.015 . 1 . . . . 23 MET H . 15458 1 268 . 1 1 23 23 MET HA H 1 4.384 0.015 . 1 . . . . 23 MET HA . 15458 1 269 . 1 1 23 23 MET HB2 H 1 1.477 0.015 . 1 . . . . 23 MET HB2 . 15458 1 270 . 1 1 23 23 MET HB3 H 1 1.477 0.015 . 1 . . . . 23 MET HB3 . 15458 1 271 . 1 1 23 23 MET HE1 H 1 1.686 0.015 . 1 . . . . 23 MET HE1 . 15458 1 272 . 1 1 23 23 MET HE2 H 1 1.686 0.015 . 1 . . . . 23 MET HE2 . 15458 1 273 . 1 1 23 23 MET HE3 H 1 1.686 0.015 . 1 . . . . 23 MET HE3 . 15458 1 274 . 1 1 23 23 MET HG2 H 1 2.141 0.015 . 1 . . . . 23 MET HG2 . 15458 1 275 . 1 1 23 23 MET HG3 H 1 2.076 0.015 . 1 . . . . 23 MET HG3 . 15458 1 276 . 1 1 23 23 MET C C 13 172.496 0.2 . 1 . . . . 23 MET C . 15458 1 277 . 1 1 23 23 MET CA C 13 54.469 0.2 . 1 . . . . 23 MET CA . 15458 1 278 . 1 1 23 23 MET CB C 13 37.405 0.2 . 1 . . . . 23 MET CB . 15458 1 279 . 1 1 23 23 MET CE C 13 16.232 0.2 . 1 . . . . 23 MET CE . 15458 1 280 . 1 1 23 23 MET CG C 13 32.033 0.005 . 1 . . . . 23 MET CG . 15458 1 281 . 1 1 23 23 MET N N 15 126.648 0.2 . 1 . . . . 23 MET N . 15458 1 282 . 1 1 24 24 GLN H H 1 7.667 0.015 . 1 . . . . 24 GLN H . 15458 1 283 . 1 1 24 24 GLN HA H 1 5.269 0.015 . 1 . . . . 24 GLN HA . 15458 1 284 . 1 1 24 24 GLN HB2 H 1 1.593 0.015 . 1 . . . . 24 GLN HB2 . 15458 1 285 . 1 1 24 24 GLN HB3 H 1 1.446 0.015 . 1 . . . . 24 GLN HB3 . 15458 1 286 . 1 1 24 24 GLN HE22 H 1 6.670 0.015 . 1 . . . . 24 GLN HE22 . 15458 1 287 . 1 1 24 24 GLN HG2 H 1 2.026 0.015 . 1 . . . . 24 GLN HG2 . 15458 1 288 . 1 1 24 24 GLN HG3 H 1 2.026 0.015 . 1 . . . . 24 GLN HG3 . 15458 1 289 . 1 1 24 24 GLN C C 13 175.091 0.2 . 1 . . . . 24 GLN C . 15458 1 290 . 1 1 24 24 GLN CA C 13 53.962 0.2 . 1 . . . . 24 GLN CA . 15458 1 291 . 1 1 24 24 GLN CB C 13 30.654 0.2 . 1 . . . . 24 GLN CB . 15458 1 292 . 1 1 24 24 GLN CG C 13 34.282 0.2 . 1 . . . . 24 GLN CG . 15458 1 293 . 1 1 24 24 GLN N N 15 118.534 0.2 . 1 . . . . 24 GLN N . 15458 1 294 . 1 1 24 24 GLN NE2 N 15 111.426 0.2 . 1 . . . . 24 GLN NE2 . 15458 1 295 . 1 1 25 25 PHE H H 1 8.829 0.015 . 1 . . . . 25 PHE H . 15458 1 296 . 1 1 25 25 PHE HA H 1 4.849 0.015 . 1 . . . . 25 PHE HA . 15458 1 297 . 1 1 25 25 PHE HB2 H 1 2.287 0.015 . 1 . . . . 25 PHE HB2 . 15458 1 298 . 1 1 25 25 PHE HB3 H 1 2.924 0.015 . 1 . . . . 25 PHE HB3 . 15458 1 299 . 1 1 25 25 PHE C C 13 175.703 0.2 . 1 . . . . 25 PHE C . 15458 1 300 . 1 1 25 25 PHE CA C 13 55.585 0.2 . 1 . . . . 25 PHE CA . 15458 1 301 . 1 1 25 25 PHE CB C 13 43.687 0.010 . 1 . . . . 25 PHE CB . 15458 1 302 . 1 1 25 25 PHE N N 15 118.434 0.2 . 1 . . . . 25 PHE N . 15458 1 303 . 1 1 26 26 GLU H H 1 9.207 0.015 . 1 . . . . 26 GLU H . 15458 1 304 . 1 1 26 26 GLU HA H 1 4.648 0.015 . 1 . . . . 26 GLU HA . 15458 1 305 . 1 1 26 26 GLU HB2 H 1 1.895 0.015 . 1 . . . . 26 GLU HB2 . 15458 1 306 . 1 1 26 26 GLU HB3 H 1 2.120 0.015 . 1 . . . . 26 GLU HB3 . 15458 1 307 . 1 1 26 26 GLU HG2 H 1 2.354 0.015 . 1 . . . . 26 GLU HG2 . 15458 1 308 . 1 1 26 26 GLU HG3 H 1 2.354 0.015 . 1 . . . . 26 GLU HG3 . 15458 1 309 . 1 1 26 26 GLU CA C 13 55.108 0.2 . 1 . . . . 26 GLU CA . 15458 1 310 . 1 1 26 26 GLU CB C 13 28.361 0.2 . 1 . . . . 26 GLU CB . 15458 1 311 . 1 1 26 26 GLU CG C 13 36.368 0.2 . 1 . . . . 26 GLU CG . 15458 1 312 . 1 1 26 26 GLU N N 15 123.511 0.2 . 1 . . . . 26 GLU N . 15458 1 313 . 1 1 27 27 PRO HA H 1 4.097 0.015 . 1 . . . . 27 PRO HA . 15458 1 314 . 1 1 27 27 PRO HB2 H 1 2.084 0.015 . 1 . . . . 27 PRO HB2 . 15458 1 315 . 1 1 27 27 PRO HB3 H 1 2.336 0.015 . 1 . . . . 27 PRO HB3 . 15458 1 316 . 1 1 27 27 PRO HD2 H 1 3.869 0.015 . 1 . . . . 27 PRO HD2 . 15458 1 317 . 1 1 27 27 PRO HD3 H 1 3.816 0.015 . 1 . . . . 27 PRO HD3 . 15458 1 318 . 1 1 27 27 PRO HG2 H 1 1.936 0.015 . 1 . . . . 27 PRO HG2 . 15458 1 319 . 1 1 27 27 PRO HG3 H 1 2.144 0.015 . 1 . . . . 27 PRO HG3 . 15458 1 320 . 1 1 27 27 PRO C C 13 174.115 0.2 . 1 . . . . 27 PRO C . 15458 1 321 . 1 1 27 27 PRO CA C 13 65.457 0.2 . 1 . . . . 27 PRO CA . 15458 1 322 . 1 1 27 27 PRO CB C 13 31.336 0.012 . 1 . . . . 27 PRO CB . 15458 1 323 . 1 1 27 27 PRO CD C 13 50.764 0.005 . 1 . . . . 27 PRO CD . 15458 1 324 . 1 1 27 27 PRO CG C 13 27.633 0.001 . 1 . . . . 27 PRO CG . 15458 1 325 . 1 1 28 28 SER H H 1 7.388 0.015 . 1 . . . . 28 SER H . 15458 1 326 . 1 1 28 28 SER HA H 1 4.318 0.015 . 1 . . . . 28 SER HA . 15458 1 327 . 1 1 28 28 SER HB2 H 1 3.798 0.015 . 1 . . . . 28 SER HB2 . 15458 1 328 . 1 1 28 28 SER HB3 H 1 4.033 0.015 . 1 . . . . 28 SER HB3 . 15458 1 329 . 1 1 28 28 SER C C 13 174.333 0.2 . 1 . . . . 28 SER C . 15458 1 330 . 1 1 28 28 SER CA C 13 57.492 0.2 . 1 . . . . 28 SER CA . 15458 1 331 . 1 1 28 28 SER CB C 13 62.876 0.005 . 1 . . . . 28 SER CB . 15458 1 332 . 1 1 28 28 SER N N 15 105.744 0.2 . 1 . . . . 28 SER N . 15458 1 333 . 1 1 29 29 THR H H 1 7.713 0.015 . 1 . . . . 29 THR H . 15458 1 334 . 1 1 29 29 THR HA H 1 3.894 0.015 . 1 . . . . 29 THR HA . 15458 1 335 . 1 1 29 29 THR HB H 1 3.938 0.015 . 1 . . . . 29 THR HB . 15458 1 336 . 1 1 29 29 THR HG21 H 1 1.363 0.015 . 1 . . . . 29 THR HG21 . 15458 1 337 . 1 1 29 29 THR HG22 H 1 1.363 0.015 . 1 . . . . 29 THR HG22 . 15458 1 338 . 1 1 29 29 THR HG23 H 1 1.363 0.015 . 1 . . . . 29 THR HG23 . 15458 1 339 . 1 1 29 29 THR C C 13 173.444 0.2 . 1 . . . . 29 THR C . 15458 1 340 . 1 1 29 29 THR CA C 13 64.213 0.2 . 1 . . . . 29 THR CA . 15458 1 341 . 1 1 29 29 THR CB C 13 69.826 0.2 . 1 . . . . 29 THR CB . 15458 1 342 . 1 1 29 29 THR CG2 C 13 21.332 0.2 . 1 . . . . 29 THR CG2 . 15458 1 343 . 1 1 29 29 THR N N 15 120.301 0.2 . 1 . . . . 29 THR N . 15458 1 344 . 1 1 30 30 MET H H 1 9.130 0.015 . 1 . . . . 30 MET H . 15458 1 345 . 1 1 30 30 MET HB2 H 1 1.735 0.015 . 1 . . . . 30 MET HB2 . 15458 1 346 . 1 1 30 30 MET HB3 H 1 1.735 0.015 . 1 . . . . 30 MET HB3 . 15458 1 347 . 1 1 30 30 MET HE1 H 1 2.017 0.015 . 1 . . . . 30 MET HE1 . 15458 1 348 . 1 1 30 30 MET HE2 H 1 2.017 0.015 . 1 . . . . 30 MET HE2 . 15458 1 349 . 1 1 30 30 MET HE3 H 1 2.017 0.015 . 1 . . . . 30 MET HE3 . 15458 1 350 . 1 1 30 30 MET HG2 H 1 2.605 0.015 . 1 . . . . 30 MET HG2 . 15458 1 351 . 1 1 30 30 MET HG3 H 1 2.726 0.015 . 1 . . . . 30 MET HG3 . 15458 1 352 . 1 1 30 30 MET C C 13 178.719 0.2 . 1 . . . . 30 MET C . 15458 1 353 . 1 1 30 30 MET CB C 13 31.628 0.2 . 1 . . . . 30 MET CB . 15458 1 354 . 1 1 30 30 MET CE C 13 16.648 0.2 . 1 . . . . 30 MET CE . 15458 1 355 . 1 1 30 30 MET CG C 13 31.877 0.003 . 1 . . . . 30 MET CG . 15458 1 356 . 1 1 30 30 MET N N 15 125.938 0.2 . 1 . . . . 30 MET N . 15458 1 357 . 1 1 31 31 VAL H H 1 9.469 0.015 . 1 . . . . 31 VAL H . 15458 1 358 . 1 1 31 31 VAL HA H 1 3.272 0.015 . 1 . . . . 31 VAL HA . 15458 1 359 . 1 1 31 31 VAL HB H 1 2.729 0.015 . 1 . . . . 31 VAL HB . 15458 1 360 . 1 1 31 31 VAL HG11 H 1 0.745 0.015 . 2 . . . . 31 VAL HG11 . 15458 1 361 . 1 1 31 31 VAL HG12 H 1 0.745 0.015 . 2 . . . . 31 VAL HG12 . 15458 1 362 . 1 1 31 31 VAL HG13 H 1 0.745 0.015 . 2 . . . . 31 VAL HG13 . 15458 1 363 . 1 1 31 31 VAL HG21 H 1 0.962 0.015 . 2 . . . . 31 VAL HG21 . 15458 1 364 . 1 1 31 31 VAL HG22 H 1 0.962 0.015 . 2 . . . . 31 VAL HG22 . 15458 1 365 . 1 1 31 31 VAL HG23 H 1 0.962 0.015 . 2 . . . . 31 VAL HG23 . 15458 1 366 . 1 1 31 31 VAL C C 13 178.924 0.2 . 1 . . . . 31 VAL C . 15458 1 367 . 1 1 31 31 VAL CA C 13 67.709 0.2 . 1 . . . . 31 VAL CA . 15458 1 368 . 1 1 31 31 VAL CB C 13 30.536 0.2 . 1 . . . . 31 VAL CB . 15458 1 369 . 1 1 31 31 VAL CG1 C 13 21.395 0.2 . 2 . . . . 31 VAL CG1 . 15458 1 370 . 1 1 31 31 VAL CG2 C 13 24.555 0.2 . 2 . . . . 31 VAL CG2 . 15458 1 371 . 1 1 31 31 VAL N N 15 127.636 0.2 . 1 . . . . 31 VAL N . 15458 1 372 . 1 1 32 32 TYR H H 1 8.687 0.015 . 1 . . . . 32 TYR H . 15458 1 373 . 1 1 32 32 TYR HA H 1 4.373 0.015 . 1 . . . . 32 TYR HA . 15458 1 374 . 1 1 32 32 TYR HB2 H 1 2.808 0.015 . 1 . . . . 32 TYR HB2 . 15458 1 375 . 1 1 32 32 TYR HB3 H 1 3.189 0.015 . 1 . . . . 32 TYR HB3 . 15458 1 376 . 1 1 32 32 TYR CA C 13 60.835 0.2 . 1 . . . . 32 TYR CA . 15458 1 377 . 1 1 32 32 TYR CB C 13 37.883 0.003 . 1 . . . . 32 TYR CB . 15458 1 378 . 1 1 32 32 TYR N N 15 116.369 0.2 . 1 . . . . 32 TYR N . 15458 1 379 . 1 1 33 33 ASP H H 1 6.714 0.015 . 1 . . . . 33 ASP H . 15458 1 380 . 1 1 33 33 ASP HA H 1 4.618 0.015 . 1 . . . . 33 ASP HA . 15458 1 381 . 1 1 33 33 ASP HB2 H 1 2.603 0.015 . 1 . . . . 33 ASP HB2 . 15458 1 382 . 1 1 33 33 ASP HB3 H 1 2.603 0.015 . 1 . . . . 33 ASP HB3 . 15458 1 383 . 1 1 33 33 ASP C C 13 177.566 0.2 . 1 . . . . 33 ASP C . 15458 1 384 . 1 1 33 33 ASP CA C 13 56.657 0.2 . 1 . . . . 33 ASP CA . 15458 1 385 . 1 1 33 33 ASP CB C 13 40.852 0.2 . 1 . . . . 33 ASP CB . 15458 1 386 . 1 1 33 33 ASP N N 15 121.952 0.2 . 1 . . . . 33 ASP N . 15458 1 387 . 1 1 34 34 ALA H H 1 8.599 0.015 . 1 . . . . 34 ALA H . 15458 1 388 . 1 1 34 34 ALA HA H 1 4.234 0.015 . 1 . . . . 34 ALA HA . 15458 1 389 . 1 1 34 34 ALA HB1 H 1 1.002 0.015 . 1 . . . . 34 ALA HB1 . 15458 1 390 . 1 1 34 34 ALA HB2 H 1 1.002 0.015 . 1 . . . . 34 ALA HB2 . 15458 1 391 . 1 1 34 34 ALA HB3 H 1 1.002 0.015 . 1 . . . . 34 ALA HB3 . 15458 1 392 . 1 1 34 34 ALA C C 13 179.547 0.2 . 1 . . . . 34 ALA C . 15458 1 393 . 1 1 34 34 ALA CA C 13 54.917 0.2 . 1 . . . . 34 ALA CA . 15458 1 394 . 1 1 34 34 ALA CB C 13 16.673 0.2 . 1 . . . . 34 ALA CB . 15458 1 395 . 1 1 34 34 ALA N N 15 124.574 0.2 . 1 . . . . 34 ALA N . 15458 1 396 . 1 1 35 35 CYS H H 1 8.217 0.015 . 1 . . . . 35 CYS H . 15458 1 397 . 1 1 35 35 CYS HA H 1 3.909 0.015 . 1 . . . . 35 CYS HA . 15458 1 398 . 1 1 35 35 CYS HB2 H 1 2.956 0.015 . 1 . . . . 35 CYS HB2 . 15458 1 399 . 1 1 35 35 CYS HB3 H 1 3.206 0.015 . 1 . . . . 35 CYS HB3 . 15458 1 400 . 1 1 35 35 CYS C C 13 175.554 0.2 . 1 . . . . 35 CYS C . 15458 1 401 . 1 1 35 35 CYS CA C 13 64.476 0.2 . 1 . . . . 35 CYS CA . 15458 1 402 . 1 1 35 35 CYS CB C 13 26.547 0.012 . 1 . . . . 35 CYS CB . 15458 1 403 . 1 1 35 35 CYS N N 15 113.583 0.2 . 1 . . . . 35 CYS N . 15458 1 404 . 1 1 36 36 ARG H H 1 7.184 0.015 . 1 . . . . 36 ARG H . 15458 1 405 . 1 1 36 36 ARG HA H 1 3.808 0.015 . 1 . . . . 36 ARG HA . 15458 1 406 . 1 1 36 36 ARG HB2 H 1 1.858 0.015 . 1 . . . . 36 ARG HB2 . 15458 1 407 . 1 1 36 36 ARG HB3 H 1 2.095 0.015 . 1 . . . . 36 ARG HB3 . 15458 1 408 . 1 1 36 36 ARG HD2 H 1 3.152 0.015 . 2 . . . . 36 ARG HD2 . 15458 1 409 . 1 1 36 36 ARG HD3 H 1 3.224 0.015 . 2 . . . . 36 ARG HD3 . 15458 1 410 . 1 1 36 36 ARG HG2 H 1 1.472 0.015 . 2 . . . . 36 ARG HG2 . 15458 1 411 . 1 1 36 36 ARG HG3 H 1 1.658 0.015 . 2 . . . . 36 ARG HG3 . 15458 1 412 . 1 1 36 36 ARG C C 13 178.418 0.2 . 1 . . . . 36 ARG C . 15458 1 413 . 1 1 36 36 ARG CA C 13 59.682 0.2 . 1 . . . . 36 ARG CA . 15458 1 414 . 1 1 36 36 ARG CB C 13 28.911 0.006 . 1 . . . . 36 ARG CB . 15458 1 415 . 1 1 36 36 ARG CD C 13 42.802 0.2 . 1 . . . . 36 ARG CD . 15458 1 416 . 1 1 36 36 ARG CG C 13 26.664 0.005 . 1 . . . . 36 ARG CG . 15458 1 417 . 1 1 36 36 ARG N N 15 119.981 0.2 . 1 . . . . 36 ARG N . 15458 1 418 . 1 1 37 37 MET H H 1 8.311 0.015 . 1 . . . . 37 MET H . 15458 1 419 . 1 1 37 37 MET HA H 1 3.874 0.015 . 1 . . . . 37 MET HA . 15458 1 420 . 1 1 37 37 MET HB2 H 1 2.329 0.015 . 1 . . . . 37 MET HB2 . 15458 1 421 . 1 1 37 37 MET HB3 H 1 1.990 0.015 . 1 . . . . 37 MET HB3 . 15458 1 422 . 1 1 37 37 MET HG2 H 1 2.522 0.015 . 1 . . . . 37 MET HG2 . 15458 1 423 . 1 1 37 37 MET HG3 H 1 2.722 0.015 . 1 . . . . 37 MET HG3 . 15458 1 424 . 1 1 37 37 MET C C 13 178.682 0.2 . 1 . . . . 37 MET C . 15458 1 425 . 1 1 37 37 MET CA C 13 59.064 0.2 . 1 . . . . 37 MET CA . 15458 1 426 . 1 1 37 37 MET CB C 13 33.453 0.020 . 1 . . . . 37 MET CB . 15458 1 427 . 1 1 37 37 MET CG C 13 32.186 0.009 . 1 . . . . 37 MET CG . 15458 1 428 . 1 1 37 37 MET N N 15 118.380 0.2 . 1 . . . . 37 MET N . 15458 1 429 . 1 1 38 38 ILE H H 1 8.088 0.015 . 1 . . . . 38 ILE H . 15458 1 430 . 1 1 38 38 ILE HA H 1 3.228 0.015 . 1 . . . . 38 ILE HA . 15458 1 431 . 1 1 38 38 ILE HB H 1 1.561 0.015 . 1 . . . . 38 ILE HB . 15458 1 432 . 1 1 38 38 ILE HD11 H 1 0.125 0.015 . 1 . . . . 38 ILE HD11 . 15458 1 433 . 1 1 38 38 ILE HD12 H 1 0.125 0.015 . 1 . . . . 38 ILE HD12 . 15458 1 434 . 1 1 38 38 ILE HD13 H 1 0.125 0.015 . 1 . . . . 38 ILE HD13 . 15458 1 435 . 1 1 38 38 ILE HG12 H 1 1.963 0.015 . 1 . . . . 38 ILE HG12 . 15458 1 436 . 1 1 38 38 ILE HG13 H 1 0.980 0.015 . 1 . . . . 38 ILE HG13 . 15458 1 437 . 1 1 38 38 ILE HG21 H 1 0.720 0.015 . 1 . . . . 38 ILE HG21 . 15458 1 438 . 1 1 38 38 ILE HG22 H 1 0.720 0.015 . 1 . . . . 38 ILE HG22 . 15458 1 439 . 1 1 38 38 ILE HG23 H 1 0.720 0.015 . 1 . . . . 38 ILE HG23 . 15458 1 440 . 1 1 38 38 ILE C C 13 176.558 0.2 . 1 . . . . 38 ILE C . 15458 1 441 . 1 1 38 38 ILE CA C 13 65.848 0.2 . 1 . . . . 38 ILE CA . 15458 1 442 . 1 1 38 38 ILE CB C 13 37.995 0.2 . 1 . . . . 38 ILE CB . 15458 1 443 . 1 1 38 38 ILE CD1 C 13 15.965 0.2 . 1 . . . . 38 ILE CD1 . 15458 1 444 . 1 1 38 38 ILE CG1 C 13 30.143 0.010 . 1 . . . . 38 ILE CG1 . 15458 1 445 . 1 1 38 38 ILE CG2 C 13 15.679 0.2 . 1 . . . . 38 ILE CG2 . 15458 1 446 . 1 1 38 38 ILE N N 15 120.399 0.2 . 1 . . . . 38 ILE N . 15458 1 447 . 1 1 39 39 ARG H H 1 7.471 0.015 . 1 . . . . 39 ARG H . 15458 1 448 . 1 1 39 39 ARG HA H 1 3.565 0.015 . 1 . . . . 39 ARG HA . 15458 1 449 . 1 1 39 39 ARG HB2 H 1 1.719 0.015 . 1 . . . . 39 ARG HB2 . 15458 1 450 . 1 1 39 39 ARG HB3 H 1 1.719 0.015 . 1 . . . . 39 ARG HB3 . 15458 1 451 . 1 1 39 39 ARG HD2 H 1 3.040 0.015 . 2 . . . . 39 ARG HD2 . 15458 1 452 . 1 1 39 39 ARG HD3 H 1 3.237 0.015 . 2 . . . . 39 ARG HD3 . 15458 1 453 . 1 1 39 39 ARG HG2 H 1 1.180 0.015 . 1 . . . . 39 ARG HG2 . 15458 1 454 . 1 1 39 39 ARG C C 13 177.649 0.2 . 1 . . . . 39 ARG C . 15458 1 455 . 1 1 39 39 ARG CA C 13 59.044 0.2 . 1 . . . . 39 ARG CA . 15458 1 456 . 1 1 39 39 ARG CB C 13 30.126 0.2 . 1 . . . . 39 ARG CB . 15458 1 457 . 1 1 39 39 ARG CD C 13 43.290 0.003 . 1 . . . . 39 ARG CD . 15458 1 458 . 1 1 39 39 ARG CG C 13 28.587 0.029 . 1 . . . . 39 ARG CG . 15458 1 459 . 1 1 39 39 ARG N N 15 116.826 0.2 . 1 . . . . 39 ARG N . 15458 1 460 . 1 1 40 40 GLU H H 1 7.633 0.015 . 1 . . . . 40 GLU H . 15458 1 461 . 1 1 40 40 GLU HA H 1 3.956 0.015 . 1 . . . . 40 GLU HA . 15458 1 462 . 1 1 40 40 GLU HB2 H 1 1.942 0.015 . 1 . . . . 40 GLU HB2 . 15458 1 463 . 1 1 40 40 GLU HB3 H 1 2.022 0.015 . 1 . . . . 40 GLU HB3 . 15458 1 464 . 1 1 40 40 GLU HG2 H 1 2.158 0.015 . 1 . . . . 40 GLU HG2 . 15458 1 465 . 1 1 40 40 GLU HG3 H 1 2.426 0.015 . 1 . . . . 40 GLU HG3 . 15458 1 466 . 1 1 40 40 GLU C C 13 178.103 0.2 . 1 . . . . 40 GLU C . 15458 1 467 . 1 1 40 40 GLU CA C 13 57.762 0.2 . 1 . . . . 40 GLU CA . 15458 1 468 . 1 1 40 40 GLU CB C 13 29.863 0.003 . 1 . . . . 40 GLU CB . 15458 1 469 . 1 1 40 40 GLU CG C 13 36.346 0.003 . 1 . . . . 40 GLU CG . 15458 1 470 . 1 1 40 40 GLU N N 15 115.143 0.2 . 1 . . . . 40 GLU N . 15458 1 471 . 1 1 41 41 ARG H H 1 7.535 0.015 . 1 . . . . 41 ARG H . 15458 1 472 . 1 1 41 41 ARG HA H 1 4.321 0.015 . 1 . . . . 41 ARG HA . 15458 1 473 . 1 1 41 41 ARG HB2 H 1 1.685 0.015 . 1 . . . . 41 ARG HB2 . 15458 1 474 . 1 1 41 41 ARG HB3 H 1 1.883 0.015 . 1 . . . . 41 ARG HB3 . 15458 1 475 . 1 1 41 41 ARG HD2 H 1 3.015 0.015 . 2 . . . . 41 ARG HD2 . 15458 1 476 . 1 1 41 41 ARG HD3 H 1 3.116 0.015 . 2 . . . . 41 ARG HD3 . 15458 1 477 . 1 1 41 41 ARG HG2 H 1 1.651 0.015 . 1 . . . . 41 ARG HG2 . 15458 1 478 . 1 1 41 41 ARG HG3 H 1 1.651 0.015 . 1 . . . . 41 ARG HG3 . 15458 1 479 . 1 1 41 41 ARG C C 13 176.042 0.2 . 1 . . . . 41 ARG C . 15458 1 480 . 1 1 41 41 ARG CA C 13 55.961 0.2 . 1 . . . . 41 ARG CA . 15458 1 481 . 1 1 41 41 ARG CB C 13 31.725 0.011 . 1 . . . . 41 ARG CB . 15458 1 482 . 1 1 41 41 ARG CD C 13 42.659 0.007 . 1 . . . . 41 ARG CD . 15458 1 483 . 1 1 41 41 ARG CG C 13 26.872 0.2 . 1 . . . . 41 ARG CG . 15458 1 484 . 1 1 41 41 ARG N N 15 116.345 0.2 . 1 . . . . 41 ARG N . 15458 1 485 . 1 1 42 42 ILE H H 1 7.934 0.015 . 1 . . . . 42 ILE H . 15458 1 486 . 1 1 42 42 ILE HA H 1 4.505 0.015 . 1 . . . . 42 ILE HA . 15458 1 487 . 1 1 42 42 ILE HB H 1 1.867 0.015 . 1 . . . . 42 ILE HB . 15458 1 488 . 1 1 42 42 ILE HD11 H 1 0.661 0.015 . 1 . . . . 42 ILE HD11 . 15458 1 489 . 1 1 42 42 ILE HD12 H 1 0.661 0.015 . 1 . . . . 42 ILE HD12 . 15458 1 490 . 1 1 42 42 ILE HD13 H 1 0.661 0.015 . 1 . . . . 42 ILE HD13 . 15458 1 491 . 1 1 42 42 ILE HG12 H 1 1.478 0.015 . 1 . . . . 42 ILE HG12 . 15458 1 492 . 1 1 42 42 ILE HG13 H 1 1.478 0.015 . 1 . . . . 42 ILE HG13 . 15458 1 493 . 1 1 42 42 ILE CA C 13 58.268 0.2 . 1 . . . . 42 ILE CA . 15458 1 494 . 1 1 42 42 ILE CB C 13 37.783 0.2 . 1 . . . . 42 ILE CB . 15458 1 495 . 1 1 42 42 ILE CD1 C 13 13.491 0.2 . 1 . . . . 42 ILE CD1 . 15458 1 496 . 1 1 42 42 ILE CG1 C 13 26.154 0.2 . 1 . . . . 42 ILE CG1 . 15458 1 497 . 1 1 42 42 ILE N N 15 119.857 0.2 . 1 . . . . 42 ILE N . 15458 1 498 . 1 1 43 43 PRO HA H 1 4.166 0.015 . 1 . . . . 43 PRO HA . 15458 1 499 . 1 1 43 43 PRO HB2 H 1 1.809 0.015 . 1 . . . . 43 PRO HB2 . 15458 1 500 . 1 1 43 43 PRO HB3 H 1 2.252 0.015 . 1 . . . . 43 PRO HB3 . 15458 1 501 . 1 1 43 43 PRO HD2 H 1 3.737 0.015 . 1 . . . . 43 PRO HD2 . 15458 1 502 . 1 1 43 43 PRO HD3 H 1 3.737 0.015 . 1 . . . . 43 PRO HD3 . 15458 1 503 . 1 1 43 43 PRO HG2 H 1 2.026 0.015 . 1 . . . . 43 PRO HG2 . 15458 1 504 . 1 1 43 43 PRO HG3 H 1 1.906 0.015 . 1 . . . . 43 PRO HG3 . 15458 1 505 . 1 1 43 43 PRO C C 13 178.889 0.2 . 1 . . . . 43 PRO C . 15458 1 506 . 1 1 43 43 PRO CA C 13 64.721 0.2 . 1 . . . . 43 PRO CA . 15458 1 507 . 1 1 43 43 PRO CB C 13 31.392 0.013 . 1 . . . . 43 PRO CB . 15458 1 508 . 1 1 43 43 PRO CD C 13 50.472 0.2 . 1 . . . . 43 PRO CD . 15458 1 509 . 1 1 43 43 PRO CG C 13 27.120 0.001 . 1 . . . . 43 PRO CG . 15458 1 510 . 1 1 44 44 GLU H H 1 9.416 0.015 . 1 . . . . 44 GLU H . 15458 1 511 . 1 1 44 44 GLU HA H 1 3.936 0.015 . 1 . . . . 44 GLU HA . 15458 1 512 . 1 1 44 44 GLU HB2 H 1 1.795 0.015 . 1 . . . . 44 GLU HB2 . 15458 1 513 . 1 1 44 44 GLU HB3 H 1 1.919 0.015 . 1 . . . . 44 GLU HB3 . 15458 1 514 . 1 1 44 44 GLU HG2 H 1 2.234 0.015 . 1 . . . . 44 GLU HG2 . 15458 1 515 . 1 1 44 44 GLU HG3 H 1 2.404 0.015 . 1 . . . . 44 GLU HG3 . 15458 1 516 . 1 1 44 44 GLU C C 13 176.976 0.2 . 1 . . . . 44 GLU C . 15458 1 517 . 1 1 44 44 GLU CA C 13 59.340 0.2 . 1 . . . . 44 GLU CA . 15458 1 518 . 1 1 44 44 GLU CB C 13 28.233 0.008 . 1 . . . . 44 GLU CB . 15458 1 519 . 1 1 44 44 GLU CG C 13 37.159 0.008 . 1 . . . . 44 GLU CG . 15458 1 520 . 1 1 44 44 GLU N N 15 118.798 0.2 . 1 . . . . 44 GLU N . 15458 1 521 . 1 1 45 45 ALA H H 1 7.992 0.015 . 1 . . . . 45 ALA H . 15458 1 522 . 1 1 45 45 ALA HA H 1 4.048 0.015 . 1 . . . . 45 ALA HA . 15458 1 523 . 1 1 45 45 ALA HB1 H 1 1.133 0.015 . 1 . . . . 45 ALA HB1 . 15458 1 524 . 1 1 45 45 ALA HB2 H 1 1.133 0.015 . 1 . . . . 45 ALA HB2 . 15458 1 525 . 1 1 45 45 ALA HB3 H 1 1.133 0.015 . 1 . . . . 45 ALA HB3 . 15458 1 526 . 1 1 45 45 ALA C C 13 176.892 0.2 . 1 . . . . 45 ALA C . 15458 1 527 . 1 1 45 45 ALA CA C 13 52.546 0.2 . 1 . . . . 45 ALA CA . 15458 1 528 . 1 1 45 45 ALA CB C 13 19.463 0.2 . 1 . . . . 45 ALA CB . 15458 1 529 . 1 1 45 45 ALA N N 15 119.976 0.2 . 1 . . . . 45 ALA N . 15458 1 530 . 1 1 46 46 LEU H H 1 7.391 0.015 . 1 . . . . 46 LEU H . 15458 1 531 . 1 1 46 46 LEU HA H 1 4.210 0.015 . 1 . . . . 46 LEU HA . 15458 1 532 . 1 1 46 46 LEU HB2 H 1 1.533 0.015 . 1 . . . . 46 LEU HB2 . 15458 1 533 . 1 1 46 46 LEU HB3 H 1 1.677 0.015 . 1 . . . . 46 LEU HB3 . 15458 1 534 . 1 1 46 46 LEU HD11 H 1 0.835 0.015 . 1 . . . . 46 LEU HD11 . 15458 1 535 . 1 1 46 46 LEU HD12 H 1 0.835 0.015 . 1 . . . . 46 LEU HD12 . 15458 1 536 . 1 1 46 46 LEU HD13 H 1 0.835 0.015 . 1 . . . . 46 LEU HD13 . 15458 1 537 . 1 1 46 46 LEU HD21 H 1 0.734 0.015 . 1 . . . . 46 LEU HD21 . 15458 1 538 . 1 1 46 46 LEU HD22 H 1 0.734 0.015 . 1 . . . . 46 LEU HD22 . 15458 1 539 . 1 1 46 46 LEU HD23 H 1 0.734 0.015 . 1 . . . . 46 LEU HD23 . 15458 1 540 . 1 1 46 46 LEU HG H 1 1.604 0.015 . 1 . . . . 46 LEU HG . 15458 1 541 . 1 1 46 46 LEU C C 13 176.746 0.2 . 1 . . . . 46 LEU C . 15458 1 542 . 1 1 46 46 LEU CA C 13 54.267 0.2 . 1 . . . . 46 LEU CA . 15458 1 543 . 1 1 46 46 LEU CB C 13 40.616 0.008 . 1 . . . . 46 LEU CB . 15458 1 544 . 1 1 46 46 LEU CD1 C 13 24.882 0.2 . 1 . . . . 46 LEU CD1 . 15458 1 545 . 1 1 46 46 LEU CD2 C 13 22.928 0.2 . 1 . . . . 46 LEU CD2 . 15458 1 546 . 1 1 46 46 LEU CG C 13 26.406 0.2 . 1 . . . . 46 LEU CG . 15458 1 547 . 1 1 46 46 LEU N N 15 117.463 0.2 . 1 . . . . 46 LEU N . 15458 1 548 . 1 1 47 47 ALA H H 1 7.414 0.015 . 1 . . . . 47 ALA H . 15458 1 549 . 1 1 47 47 ALA HA H 1 4.216 0.015 . 1 . . . . 47 ALA HA . 15458 1 550 . 1 1 47 47 ALA HB1 H 1 1.335 0.015 . 1 . . . . 47 ALA HB1 . 15458 1 551 . 1 1 47 47 ALA HB2 H 1 1.335 0.015 . 1 . . . . 47 ALA HB2 . 15458 1 552 . 1 1 47 47 ALA HB3 H 1 1.335 0.015 . 1 . . . . 47 ALA HB3 . 15458 1 553 . 1 1 47 47 ALA C C 13 176.877 0.2 . 1 . . . . 47 ALA C . 15458 1 554 . 1 1 47 47 ALA CA C 13 52.485 0.2 . 1 . . . . 47 ALA CA . 15458 1 555 . 1 1 47 47 ALA CB C 13 19.105 0.2 . 1 . . . . 47 ALA CB . 15458 1 556 . 1 1 47 47 ALA N N 15 122.615 0.2 . 1 . . . . 47 ALA N . 15458 1 557 . 1 1 48 48 GLY H H 1 7.579 0.015 . 1 . . . . 48 GLY H . 15458 1 558 . 1 1 48 48 GLY HA2 H 1 4.052 0.015 . 1 . . . . 48 GLY HA2 . 15458 1 559 . 1 1 48 48 GLY HA3 H 1 4.232 0.015 . 1 . . . . 48 GLY HA3 . 15458 1 560 . 1 1 48 48 GLY CA C 13 44.150 0.001 . 1 . . . . 48 GLY CA . 15458 1 561 . 1 1 48 48 GLY N N 15 106.444 0.2 . 1 . . . . 48 GLY N . 15458 1 562 . 1 1 49 49 PRO HB2 H 1 2.333 0.015 . 1 . . . . 49 PRO HB2 . 15458 1 563 . 1 1 49 49 PRO HB3 H 1 1.985 0.015 . 1 . . . . 49 PRO HB3 . 15458 1 564 . 1 1 49 49 PRO HD2 H 1 3.676 0.015 . 1 . . . . 49 PRO HD2 . 15458 1 565 . 1 1 49 49 PRO HD3 H 1 3.676 0.015 . 1 . . . . 49 PRO HD3 . 15458 1 566 . 1 1 49 49 PRO HG2 H 1 2.025 0.015 . 1 . . . . 49 PRO HG2 . 15458 1 567 . 1 1 49 49 PRO HG3 H 1 1.959 0.015 . 1 . . . . 49 PRO HG3 . 15458 1 568 . 1 1 49 49 PRO CB C 13 30.960 0.003 . 1 . . . . 49 PRO CB . 15458 1 569 . 1 1 49 49 PRO CD C 13 49.656 0.2 . 1 . . . . 49 PRO CD . 15458 1 570 . 1 1 49 49 PRO CG C 13 27.317 0.007 . 1 . . . . 49 PRO CG . 15458 1 571 . 1 1 50 50 PRO HA H 1 4.216 0.015 . 1 . . . . 50 PRO HA . 15458 1 572 . 1 1 50 50 PRO HB2 H 1 1.989 0.015 . 1 . . . . 50 PRO HB2 . 15458 1 573 . 1 1 50 50 PRO HB3 H 1 2.124 0.015 . 1 . . . . 50 PRO HB3 . 15458 1 574 . 1 1 50 50 PRO HD2 H 1 3.792 0.015 . 1 . . . . 50 PRO HD2 . 15458 1 575 . 1 1 50 50 PRO HD3 H 1 3.792 0.015 . 1 . . . . 50 PRO HD3 . 15458 1 576 . 1 1 50 50 PRO HG2 H 1 1.903 0.015 . 1 . . . . 50 PRO HG2 . 15458 1 577 . 1 1 50 50 PRO HG3 H 1 2.064 0.015 . 1 . . . . 50 PRO HG3 . 15458 1 578 . 1 1 50 50 PRO C C 13 178.445 0.2 . 1 . . . . 50 PRO C . 15458 1 579 . 1 1 50 50 PRO CA C 13 65.115 0.2 . 1 . . . . 50 PRO CA . 15458 1 580 . 1 1 50 50 PRO CB C 13 31.600 0.003 . 1 . . . . 50 PRO CB . 15458 1 581 . 1 1 50 50 PRO CD C 13 50.161 0.2 . 1 . . . . 50 PRO CD . 15458 1 582 . 1 1 50 50 PRO CG C 13 27.163 0.011 . 1 . . . . 50 PRO CG . 15458 1 583 . 1 1 51 51 ASN H H 1 8.518 0.015 . 1 . . . . 51 ASN H . 15458 1 584 . 1 1 51 51 ASN HB2 H 1 2.748 0.015 . 1 . . . . 51 ASN HB2 . 15458 1 585 . 1 1 51 51 ASN HB3 H 1 2.775 0.015 . 1 . . . . 51 ASN HB3 . 15458 1 586 . 1 1 51 51 ASN C C 13 175.374 0.2 . 1 . . . . 51 ASN C . 15458 1 587 . 1 1 51 51 ASN CB C 13 37.438 0.012 . 1 . . . . 51 ASN CB . 15458 1 588 . 1 1 51 51 ASN N N 15 112.608 0.2 . 1 . . . . 51 ASN N . 15458 1 589 . 1 1 52 52 ASP H H 1 7.852 0.015 . 1 . . . . 52 ASP H . 15458 1 590 . 1 1 52 52 ASP HA H 1 4.507 0.015 . 1 . . . . 52 ASP HA . 15458 1 591 . 1 1 52 52 ASP HB2 H 1 2.422 0.015 . 1 . . . . 52 ASP HB2 . 15458 1 592 . 1 1 52 52 ASP HB3 H 1 2.591 0.015 . 1 . . . . 52 ASP HB3 . 15458 1 593 . 1 1 52 52 ASP C C 13 174.715 0.2 . 1 . . . . 52 ASP C . 15458 1 594 . 1 1 52 52 ASP CA C 13 54.535 0.2 . 1 . . . . 52 ASP CA . 15458 1 595 . 1 1 52 52 ASP CB C 13 40.920 0.004 . 1 . . . . 52 ASP CB . 15458 1 596 . 1 1 52 52 ASP N N 15 118.064 0.2 . 1 . . . . 52 ASP N . 15458 1 597 . 1 1 53 53 PHE H H 1 7.438 0.015 . 1 . . . . 53 PHE H . 15458 1 598 . 1 1 53 53 PHE HA H 1 4.813 0.015 . 1 . . . . 53 PHE HA . 15458 1 599 . 1 1 53 53 PHE HB2 H 1 2.573 0.015 . 1 . . . . 53 PHE HB2 . 15458 1 600 . 1 1 53 53 PHE HB3 H 1 1.849 0.015 . 1 . . . . 53 PHE HB3 . 15458 1 601 . 1 1 53 53 PHE C C 13 175.010 0.2 . 1 . . . . 53 PHE C . 15458 1 602 . 1 1 53 53 PHE CA C 13 56.605 0.2 . 1 . . . . 53 PHE CA . 15458 1 603 . 1 1 53 53 PHE CB C 13 42.738 0.006 . 1 . . . . 53 PHE CB . 15458 1 604 . 1 1 53 53 PHE N N 15 118.718 0.2 . 1 . . . . 53 PHE N . 15458 1 605 . 1 1 54 54 GLY H H 1 8.632 0.015 . 1 . . . . 54 GLY H . 15458 1 606 . 1 1 54 54 GLY HA2 H 1 4.479 0.015 . 1 . . . . 54 GLY HA2 . 15458 1 607 . 1 1 54 54 GLY HA3 H 1 3.915 0.015 . 1 . . . . 54 GLY HA3 . 15458 1 608 . 1 1 54 54 GLY C C 13 170.476 0.2 . 1 . . . . 54 GLY C . 15458 1 609 . 1 1 54 54 GLY CA C 13 44.450 0.2 . 1 . . . . 54 GLY CA . 15458 1 610 . 1 1 54 54 GLY N N 15 106.982 0.2 . 1 . . . . 54 GLY N . 15458 1 611 . 1 1 55 55 LEU H H 1 9.014 0.015 . 1 . . . . 55 LEU H . 15458 1 612 . 1 1 55 55 LEU HA H 1 5.417 0.015 . 1 . . . . 55 LEU HA . 15458 1 613 . 1 1 55 55 LEU HB2 H 1 1.505 0.015 . 1 . . . . 55 LEU HB2 . 15458 1 614 . 1 1 55 55 LEU HB3 H 1 1.277 0.015 . 1 . . . . 55 LEU HB3 . 15458 1 615 . 1 1 55 55 LEU HD11 H 1 0.735 0.015 . 1 . . . . 55 LEU HD11 . 15458 1 616 . 1 1 55 55 LEU HD12 H 1 0.735 0.015 . 1 . . . . 55 LEU HD12 . 15458 1 617 . 1 1 55 55 LEU HD13 H 1 0.735 0.015 . 1 . . . . 55 LEU HD13 . 15458 1 618 . 1 1 55 55 LEU HD21 H 1 0.859 0.015 . 1 . . . . 55 LEU HD21 . 15458 1 619 . 1 1 55 55 LEU HD22 H 1 0.859 0.015 . 1 . . . . 55 LEU HD22 . 15458 1 620 . 1 1 55 55 LEU HD23 H 1 0.859 0.015 . 1 . . . . 55 LEU HD23 . 15458 1 621 . 1 1 55 55 LEU HG H 1 1.767 0.015 . 1 . . . . 55 LEU HG . 15458 1 622 . 1 1 55 55 LEU C C 13 174.571 0.2 . 1 . . . . 55 LEU C . 15458 1 623 . 1 1 55 55 LEU CA C 13 53.121 0.2 . 1 . . . . 55 LEU CA . 15458 1 624 . 1 1 55 55 LEU CB C 13 44.389 0.005 . 1 . . . . 55 LEU CB . 15458 1 625 . 1 1 55 55 LEU CD1 C 13 24.782 0.2 . 1 . . . . 55 LEU CD1 . 15458 1 626 . 1 1 55 55 LEU CD2 C 13 23.005 0.2 . 1 . . . . 55 LEU CD2 . 15458 1 627 . 1 1 55 55 LEU CG C 13 26.573 0.2 . 1 . . . . 55 LEU CG . 15458 1 628 . 1 1 55 55 LEU N N 15 119.343 0.2 . 1 . . . . 55 LEU N . 15458 1 629 . 1 1 56 56 PHE H H 1 9.128 0.015 . 1 . . . . 56 PHE H . 15458 1 630 . 1 1 56 56 PHE HA H 1 4.732 0.015 . 1 . . . . 56 PHE HA . 15458 1 631 . 1 1 56 56 PHE HB2 H 1 1.383 0.015 . 1 . . . . 56 PHE HB2 . 15458 1 632 . 1 1 56 56 PHE HB3 H 1 2.209 0.015 . 1 . . . . 56 PHE HB3 . 15458 1 633 . 1 1 56 56 PHE C C 13 173.624 0.2 . 1 . . . . 56 PHE C . 15458 1 634 . 1 1 56 56 PHE CA C 13 55.329 0.2 . 1 . . . . 56 PHE CA . 15458 1 635 . 1 1 56 56 PHE CB C 13 42.913 0.2 . 1 . . . . 56 PHE CB . 15458 1 636 . 1 1 56 56 PHE N N 15 124.967 0.2 . 1 . . . . 56 PHE N . 15458 1 637 . 1 1 57 57 LEU H H 1 8.391 0.015 . 1 . . . . 57 LEU H . 15458 1 638 . 1 1 57 57 LEU HA H 1 4.409 0.015 . 1 . . . . 57 LEU HA . 15458 1 639 . 1 1 57 57 LEU HB2 H 1 0.988 0.015 . 1 . . . . 57 LEU HB2 . 15458 1 640 . 1 1 57 57 LEU HB3 H 1 1.480 0.015 . 1 . . . . 57 LEU HB3 . 15458 1 641 . 1 1 57 57 LEU HD11 H 1 0.770 0.015 . 1 . . . . 57 LEU HD11 . 15458 1 642 . 1 1 57 57 LEU HD12 H 1 0.770 0.015 . 1 . . . . 57 LEU HD12 . 15458 1 643 . 1 1 57 57 LEU HD13 H 1 0.770 0.015 . 1 . . . . 57 LEU HD13 . 15458 1 644 . 1 1 57 57 LEU HD21 H 1 0.723 0.015 . 1 . . . . 57 LEU HD21 . 15458 1 645 . 1 1 57 57 LEU HD22 H 1 0.723 0.015 . 1 . . . . 57 LEU HD22 . 15458 1 646 . 1 1 57 57 LEU HD23 H 1 0.723 0.015 . 1 . . . . 57 LEU HD23 . 15458 1 647 . 1 1 57 57 LEU HG H 1 1.296 0.015 . 1 . . . . 57 LEU HG . 15458 1 648 . 1 1 57 57 LEU C C 13 174.433 0.2 . 1 . . . . 57 LEU C . 15458 1 649 . 1 1 57 57 LEU CA C 13 52.955 0.2 . 1 . . . . 57 LEU CA . 15458 1 650 . 1 1 57 57 LEU CB C 13 43.145 0.009 . 1 . . . . 57 LEU CB . 15458 1 651 . 1 1 57 57 LEU CD1 C 13 23.998 0.2 . 1 . . . . 57 LEU CD1 . 15458 1 652 . 1 1 57 57 LEU CD2 C 13 24.771 0.2 . 1 . . . . 57 LEU CD2 . 15458 1 653 . 1 1 57 57 LEU CG C 13 26.551 0.2 . 1 . . . . 57 LEU CG . 15458 1 654 . 1 1 57 57 LEU N N 15 129.680 0.2 . 1 . . . . 57 LEU N . 15458 1 655 . 1 1 58 58 SER H H 1 8.126 0.015 . 1 . . . . 58 SER H . 15458 1 656 . 1 1 58 58 SER HA H 1 4.036 0.015 . 1 . . . . 58 SER HA . 15458 1 657 . 1 1 58 58 SER HB2 H 1 3.709 0.015 . 1 . . . . 58 SER HB2 . 15458 1 658 . 1 1 58 58 SER HB3 H 1 3.671 0.015 . 1 . . . . 58 SER HB3 . 15458 1 659 . 1 1 58 58 SER C C 13 172.914 0.2 . 1 . . . . 58 SER C . 15458 1 660 . 1 1 58 58 SER CA C 13 57.707 0.2 . 1 . . . . 58 SER CA . 15458 1 661 . 1 1 58 58 SER CB C 13 64.136 0.002 . 1 . . . . 58 SER CB . 15458 1 662 . 1 1 58 58 SER N N 15 120.255 0.2 . 1 . . . . 58 SER N . 15458 1 663 . 1 1 59 59 ASP H H 1 8.150 0.015 . 1 . . . . 59 ASP H . 15458 1 664 . 1 1 59 59 ASP HA H 1 4.609 0.015 . 1 . . . . 59 ASP HA . 15458 1 665 . 1 1 59 59 ASP HB2 H 1 2.205 0.015 . 1 . . . . 59 ASP HB2 . 15458 1 666 . 1 1 59 59 ASP HB3 H 1 2.610 0.015 . 1 . . . . 59 ASP HB3 . 15458 1 667 . 1 1 59 59 ASP C C 13 174.555 0.2 . 1 . . . . 59 ASP C . 15458 1 668 . 1 1 59 59 ASP CA C 13 52.787 0.2 . 1 . . . . 59 ASP CA . 15458 1 669 . 1 1 59 59 ASP CB C 13 44.717 0.003 . 1 . . . . 59 ASP CB . 15458 1 670 . 1 1 59 59 ASP N N 15 122.740 0.2 . 1 . . . . 59 ASP N . 15458 1 671 . 1 1 60 60 ASP H H 1 8.299 0.015 . 1 . . . . 60 ASP H . 15458 1 672 . 1 1 60 60 ASP HA H 1 4.202 0.015 . 1 . . . . 60 ASP HA . 15458 1 673 . 1 1 60 60 ASP HB2 H 1 2.480 0.015 . 1 . . . . 60 ASP HB2 . 15458 1 674 . 1 1 60 60 ASP HB3 H 1 2.548 0.015 . 1 . . . . 60 ASP HB3 . 15458 1 675 . 1 1 60 60 ASP C C 13 176.478 0.2 . 1 . . . . 60 ASP C . 15458 1 676 . 1 1 60 60 ASP CA C 13 56.447 0.2 . 1 . . . . 60 ASP CA . 15458 1 677 . 1 1 60 60 ASP CB C 13 40.557 0.004 . 1 . . . . 60 ASP CB . 15458 1 678 . 1 1 60 60 ASP N N 15 122.264 0.2 . 1 . . . . 60 ASP N . 15458 1 679 . 1 1 61 61 ASP H H 1 8.863 0.015 . 1 . . . . 61 ASP H . 15458 1 680 . 1 1 61 61 ASP HA H 1 4.904 0.015 . 1 . . . . 61 ASP HA . 15458 1 681 . 1 1 61 61 ASP HB2 H 1 2.456 0.015 . 1 . . . . 61 ASP HB2 . 15458 1 682 . 1 1 61 61 ASP HB3 H 1 2.817 0.015 . 1 . . . . 61 ASP HB3 . 15458 1 683 . 1 1 61 61 ASP CA C 13 50.186 0.2 . 1 . . . . 61 ASP CA . 15458 1 684 . 1 1 61 61 ASP CB C 13 41.456 0.001 . 1 . . . . 61 ASP CB . 15458 1 685 . 1 1 61 61 ASP N N 15 120.189 0.2 . 1 . . . . 61 ASP N . 15458 1 686 . 1 1 62 62 PRO HA H 1 4.405 0.015 . 1 . . . . 62 PRO HA . 15458 1 687 . 1 1 62 62 PRO HB2 H 1 1.950 0.015 . 1 . . . . 62 PRO HB2 . 15458 1 688 . 1 1 62 62 PRO HB3 H 1 2.363 0.015 . 1 . . . . 62 PRO HB3 . 15458 1 689 . 1 1 62 62 PRO HD2 H 1 3.915 0.015 . 1 . . . . 62 PRO HD2 . 15458 1 690 . 1 1 62 62 PRO HD3 H 1 3.972 0.015 . 1 . . . . 62 PRO HD3 . 15458 1 691 . 1 1 62 62 PRO HG2 H 1 1.942 0.015 . 1 . . . . 62 PRO HG2 . 15458 1 692 . 1 1 62 62 PRO HG3 H 1 2.013 0.015 . 1 . . . . 62 PRO HG3 . 15458 1 693 . 1 1 62 62 PRO C C 13 178.430 0.2 . 1 . . . . 62 PRO C . 15458 1 694 . 1 1 62 62 PRO CA C 13 64.094 0.2 . 1 . . . . 62 PRO CA . 15458 1 695 . 1 1 62 62 PRO CB C 13 31.976 0.018 . 1 . . . . 62 PRO CB . 15458 1 696 . 1 1 62 62 PRO CD C 13 50.902 0.009 . 1 . . . . 62 PRO CD . 15458 1 697 . 1 1 62 62 PRO CG C 13 26.886 0.003 . 1 . . . . 62 PRO CG . 15458 1 698 . 1 1 63 63 LYS H H 1 8.350 0.015 . 1 . . . . 63 LYS H . 15458 1 699 . 1 1 63 63 LYS HA H 1 4.215 0.015 . 1 . . . . 63 LYS HA . 15458 1 700 . 1 1 63 63 LYS HB2 H 1 1.782 0.015 . 1 . . . . 63 LYS HB2 . 15458 1 701 . 1 1 63 63 LYS HB3 H 1 1.843 0.015 . 1 . . . . 63 LYS HB3 . 15458 1 702 . 1 1 63 63 LYS HD2 H 1 1.654 0.015 . 1 . . . . 63 LYS HD2 . 15458 1 703 . 1 1 63 63 LYS HD3 H 1 1.654 0.015 . 1 . . . . 63 LYS HD3 . 15458 1 704 . 1 1 63 63 LYS HE2 H 1 2.957 0.015 . 1 . . . . 63 LYS HE2 . 15458 1 705 . 1 1 63 63 LYS HE3 H 1 2.957 0.015 . 1 . . . . 63 LYS HE3 . 15458 1 706 . 1 1 63 63 LYS HG2 H 1 1.395 0.015 . 1 . . . . 63 LYS HG2 . 15458 1 707 . 1 1 63 63 LYS HG3 H 1 1.422 0.015 . 1 . . . . 63 LYS HG3 . 15458 1 708 . 1 1 63 63 LYS C C 13 177.451 0.2 . 1 . . . . 63 LYS C . 15458 1 709 . 1 1 63 63 LYS CA C 13 56.931 0.2 . 1 . . . . 63 LYS CA . 15458 1 710 . 1 1 63 63 LYS CB C 13 31.712 0.002 . 1 . . . . 63 LYS CB . 15458 1 711 . 1 1 63 63 LYS CD C 13 28.474 0.2 . 1 . . . . 63 LYS CD . 15458 1 712 . 1 1 63 63 LYS CE C 13 41.474 0.2 . 1 . . . . 63 LYS CE . 15458 1 713 . 1 1 63 63 LYS CG C 13 24.940 0.003 . 1 . . . . 63 LYS CG . 15458 1 714 . 1 1 63 63 LYS N N 15 116.667 0.2 . 1 . . . . 63 LYS N . 15458 1 715 . 1 1 64 64 LYS H H 1 8.020 0.015 . 1 . . . . 64 LYS H . 15458 1 716 . 1 1 64 64 LYS HA H 1 4.458 0.015 . 1 . . . . 64 LYS HA . 15458 1 717 . 1 1 64 64 LYS HB2 H 1 1.715 0.015 . 1 . . . . 64 LYS HB2 . 15458 1 718 . 1 1 64 64 LYS HB3 H 1 1.911 0.015 . 1 . . . . 64 LYS HB3 . 15458 1 719 . 1 1 64 64 LYS HD2 H 1 1.624 0.015 . 1 . . . . 64 LYS HD2 . 15458 1 720 . 1 1 64 64 LYS HD3 H 1 1.624 0.015 . 1 . . . . 64 LYS HD3 . 15458 1 721 . 1 1 64 64 LYS HE2 H 1 2.916 0.015 . 1 . . . . 64 LYS HE2 . 15458 1 722 . 1 1 64 64 LYS HE3 H 1 2.916 0.015 . 1 . . . . 64 LYS HE3 . 15458 1 723 . 1 1 64 64 LYS HG2 H 1 1.207 0.015 . 1 . . . . 64 LYS HG2 . 15458 1 724 . 1 1 64 64 LYS HG3 H 1 1.282 0.015 . 1 . . . . 64 LYS HG3 . 15458 1 725 . 1 1 64 64 LYS C C 13 175.719 0.2 . 1 . . . . 64 LYS C . 15458 1 726 . 1 1 64 64 LYS CA C 13 55.236 0.2 . 1 . . . . 64 LYS CA . 15458 1 727 . 1 1 64 64 LYS CB C 13 33.095 0.016 . 1 . . . . 64 LYS CB . 15458 1 728 . 1 1 64 64 LYS CD C 13 28.701 0.2 . 1 . . . . 64 LYS CD . 15458 1 729 . 1 1 64 64 LYS CE C 13 41.721 0.2 . 1 . . . . 64 LYS CE . 15458 1 730 . 1 1 64 64 LYS CG C 13 25.191 0.003 . 1 . . . . 64 LYS CG . 15458 1 731 . 1 1 64 64 LYS N N 15 119.231 0.2 . 1 . . . . 64 LYS N . 15458 1 732 . 1 1 65 65 GLY H H 1 7.581 0.015 . 1 . . . . 65 GLY H . 15458 1 733 . 1 1 65 65 GLY HA2 H 1 3.722 0.015 . 1 . . . . 65 GLY HA2 . 15458 1 734 . 1 1 65 65 GLY HA3 H 1 3.696 0.015 . 1 . . . . 65 GLY HA3 . 15458 1 735 . 1 1 65 65 GLY C C 13 172.767 0.2 . 1 . . . . 65 GLY C . 15458 1 736 . 1 1 65 65 GLY CA C 13 45.618 0.004 . 1 . . . . 65 GLY CA . 15458 1 737 . 1 1 65 65 GLY N N 15 108.329 0.2 . 1 . . . . 65 GLY N . 15458 1 738 . 1 1 66 66 ILE H H 1 7.279 0.015 . 1 . . . . 66 ILE H . 15458 1 739 . 1 1 66 66 ILE HA H 1 4.425 0.015 . 1 . . . . 66 ILE HA . 15458 1 740 . 1 1 66 66 ILE HB H 1 1.566 0.015 . 1 . . . . 66 ILE HB . 15458 1 741 . 1 1 66 66 ILE HD11 H 1 0.830 0.015 . 1 . . . . 66 ILE HD11 . 15458 1 742 . 1 1 66 66 ILE HD12 H 1 0.830 0.015 . 1 . . . . 66 ILE HD12 . 15458 1 743 . 1 1 66 66 ILE HD13 H 1 0.830 0.015 . 1 . . . . 66 ILE HD13 . 15458 1 744 . 1 1 66 66 ILE HG12 H 1 0.901 0.015 . 1 . . . . 66 ILE HG12 . 15458 1 745 . 1 1 66 66 ILE HG13 H 1 1.317 0.015 . 1 . . . . 66 ILE HG13 . 15458 1 746 . 1 1 66 66 ILE HG21 H 1 0.790 0.015 . 1 . . . . 66 ILE HG21 . 15458 1 747 . 1 1 66 66 ILE HG22 H 1 0.790 0.015 . 1 . . . . 66 ILE HG22 . 15458 1 748 . 1 1 66 66 ILE HG23 H 1 0.790 0.015 . 1 . . . . 66 ILE HG23 . 15458 1 749 . 1 1 66 66 ILE C C 13 173.686 0.2 . 1 . . . . 66 ILE C . 15458 1 750 . 1 1 66 66 ILE CA C 13 59.065 0.2 . 1 . . . . 66 ILE CA . 15458 1 751 . 1 1 66 66 ILE CB C 13 42.433 0.2 . 1 . . . . 66 ILE CB . 15458 1 752 . 1 1 66 66 ILE CD1 C 13 13.663 0.2 . 1 . . . . 66 ILE CD1 . 15458 1 753 . 1 1 66 66 ILE CG1 C 13 25.949 0.019 . 1 . . . . 66 ILE CG1 . 15458 1 754 . 1 1 66 66 ILE CG2 C 13 17.501 0.2 . 1 . . . . 66 ILE CG2 . 15458 1 755 . 1 1 66 66 ILE N N 15 117.680 0.2 . 1 . . . . 66 ILE N . 15458 1 756 . 1 1 67 67 TRP H H 1 8.516 0.015 . 1 . . . . 67 TRP H . 15458 1 757 . 1 1 67 67 TRP HA H 1 4.907 0.015 . 1 . . . . 67 TRP HA . 15458 1 758 . 1 1 67 67 TRP HB2 H 1 3.011 0.015 . 1 . . . . 67 TRP HB2 . 15458 1 759 . 1 1 67 67 TRP HB3 H 1 3.135 0.015 . 1 . . . . 67 TRP HB3 . 15458 1 760 . 1 1 67 67 TRP HE1 H 1 10.072 0.015 . 1 . . . . 67 TRP HE1 . 15458 1 761 . 1 1 67 67 TRP C C 13 176.472 0.2 . 1 . . . . 67 TRP C . 15458 1 762 . 1 1 67 67 TRP CA C 13 55.739 0.2 . 1 . . . . 67 TRP CA . 15458 1 763 . 1 1 67 67 TRP CB C 13 28.892 0.006 . 1 . . . . 67 TRP CB . 15458 1 764 . 1 1 67 67 TRP N N 15 124.082 0.2 . 1 . . . . 67 TRP N . 15458 1 765 . 1 1 67 67 TRP NE1 N 15 129.853 0.2 . 1 . . . . 67 TRP NE1 . 15458 1 766 . 1 1 68 68 LEU H H 1 8.701 0.015 . 1 . . . . 68 LEU H . 15458 1 767 . 1 1 68 68 LEU HA H 1 3.862 0.015 . 1 . . . . 68 LEU HA . 15458 1 768 . 1 1 68 68 LEU HB2 H 1 1.416 0.015 . 1 . . . . 68 LEU HB2 . 15458 1 769 . 1 1 68 68 LEU HB3 H 1 1.159 0.015 . 1 . . . . 68 LEU HB3 . 15458 1 770 . 1 1 68 68 LEU HD11 H 1 0.404 0.015 . 1 . . . . 68 LEU HD11 . 15458 1 771 . 1 1 68 68 LEU HD12 H 1 0.404 0.015 . 1 . . . . 68 LEU HD12 . 15458 1 772 . 1 1 68 68 LEU HD13 H 1 0.404 0.015 . 1 . . . . 68 LEU HD13 . 15458 1 773 . 1 1 68 68 LEU HD21 H 1 -0.150 0.015 . 1 . . . . 68 LEU HD21 . 15458 1 774 . 1 1 68 68 LEU HD22 H 1 -0.150 0.015 . 1 . . . . 68 LEU HD22 . 15458 1 775 . 1 1 68 68 LEU HD23 H 1 -0.150 0.015 . 1 . . . . 68 LEU HD23 . 15458 1 776 . 1 1 68 68 LEU HG H 1 0.647 0.015 . 1 . . . . 68 LEU HG . 15458 1 777 . 1 1 68 68 LEU C C 13 177.150 0.2 . 1 . . . . 68 LEU C . 15458 1 778 . 1 1 68 68 LEU CA C 13 55.535 0.2 . 1 . . . . 68 LEU CA . 15458 1 779 . 1 1 68 68 LEU CB C 13 40.597 0.015 . 1 . . . . 68 LEU CB . 15458 1 780 . 1 1 68 68 LEU CD1 C 13 24.919 0.2 . 1 . . . . 68 LEU CD1 . 15458 1 781 . 1 1 68 68 LEU CD2 C 13 22.061 0.2 . 1 . . . . 68 LEU CD2 . 15458 1 782 . 1 1 68 68 LEU CG C 13 27.299 0.2 . 1 . . . . 68 LEU CG . 15458 1 783 . 1 1 68 68 LEU N N 15 124.757 0.2 . 1 . . . . 68 LEU N . 15458 1 784 . 1 1 69 69 GLU H H 1 8.453 0.015 . 1 . . . . 69 GLU H . 15458 1 785 . 1 1 69 69 GLU HA H 1 4.210 0.015 . 1 . . . . 69 GLU HA . 15458 1 786 . 1 1 69 69 GLU HB2 H 1 1.894 0.015 . 1 . . . . 69 GLU HB2 . 15458 1 787 . 1 1 69 69 GLU HB3 H 1 2.050 0.015 . 1 . . . . 69 GLU HB3 . 15458 1 788 . 1 1 69 69 GLU HG2 H 1 2.260 0.015 . 1 . . . . 69 GLU HG2 . 15458 1 789 . 1 1 69 69 GLU HG3 H 1 2.384 0.015 . 1 . . . . 69 GLU HG3 . 15458 1 790 . 1 1 69 69 GLU C C 13 176.238 0.2 . 1 . . . . 69 GLU C . 15458 1 791 . 1 1 69 69 GLU CA C 13 56.279 0.2 . 1 . . . . 69 GLU CA . 15458 1 792 . 1 1 69 69 GLU CB C 13 30.619 0.2 . 1 . . . . 69 GLU CB . 15458 1 793 . 1 1 69 69 GLU CG C 13 36.656 0.001 . 1 . . . . 69 GLU CG . 15458 1 794 . 1 1 69 69 GLU N N 15 124.034 0.2 . 1 . . . . 69 GLU N . 15458 1 795 . 1 1 70 70 ALA H H 1 8.386 0.015 . 1 . . . . 70 ALA H . 15458 1 796 . 1 1 70 70 ALA HA H 1 3.916 0.015 . 1 . . . . 70 ALA HA . 15458 1 797 . 1 1 70 70 ALA HB1 H 1 1.526 0.015 . 1 . . . . 70 ALA HB1 . 15458 1 798 . 1 1 70 70 ALA HB2 H 1 1.526 0.015 . 1 . . . . 70 ALA HB2 . 15458 1 799 . 1 1 70 70 ALA HB3 H 1 1.526 0.015 . 1 . . . . 70 ALA HB3 . 15458 1 800 . 1 1 70 70 ALA C C 13 177.783 0.2 . 1 . . . . 70 ALA C . 15458 1 801 . 1 1 70 70 ALA CA C 13 54.965 0.2 . 1 . . . . 70 ALA CA . 15458 1 802 . 1 1 70 70 ALA CB C 13 19.253 0.2 . 1 . . . . 70 ALA CB . 15458 1 803 . 1 1 70 70 ALA N N 15 123.853 0.2 . 1 . . . . 70 ALA N . 15458 1 804 . 1 1 71 71 GLY H H 1 8.165 0.015 . 1 . . . . 71 GLY H . 15458 1 805 . 1 1 71 71 GLY HA2 H 1 4.336 0.015 . 1 . . . . 71 GLY HA2 . 15458 1 806 . 1 1 71 71 GLY HA3 H 1 3.581 0.015 . 1 . . . . 71 GLY HA3 . 15458 1 807 . 1 1 71 71 GLY C C 13 174.303 0.2 . 1 . . . . 71 GLY C . 15458 1 808 . 1 1 71 71 GLY CA C 13 44.987 0.014 . 1 . . . . 71 GLY CA . 15458 1 809 . 1 1 71 71 GLY N N 15 100.002 0.2 . 1 . . . . 71 GLY N . 15458 1 810 . 1 1 72 72 LYS H H 1 7.475 0.015 . 1 . . . . 72 LYS H . 15458 1 811 . 1 1 72 72 LYS HA H 1 4.393 0.015 . 1 . . . . 72 LYS HA . 15458 1 812 . 1 1 72 72 LYS HB2 H 1 1.531 0.015 . 1 . . . . 72 LYS HB2 . 15458 1 813 . 1 1 72 72 LYS HB3 H 1 2.048 0.015 . 1 . . . . 72 LYS HB3 . 15458 1 814 . 1 1 72 72 LYS HD2 H 1 0.490 0.015 . 1 . . . . 72 LYS HD2 . 15458 1 815 . 1 1 72 72 LYS HD3 H 1 0.861 0.015 . 1 . . . . 72 LYS HD3 . 15458 1 816 . 1 1 72 72 LYS HE2 H 1 2.241 0.015 . 1 . . . . 72 LYS HE2 . 15458 1 817 . 1 1 72 72 LYS HE3 H 1 2.241 0.015 . 1 . . . . 72 LYS HE3 . 15458 1 818 . 1 1 72 72 LYS HG2 H 1 0.992 0.015 . 1 . . . . 72 LYS HG2 . 15458 1 819 . 1 1 72 72 LYS HG3 H 1 0.992 0.015 . 1 . . . . 72 LYS HG3 . 15458 1 820 . 1 1 72 72 LYS C C 13 174.284 0.2 . 1 . . . . 72 LYS C . 15458 1 821 . 1 1 72 72 LYS CA C 13 53.006 0.2 . 1 . . . . 72 LYS CA . 15458 1 822 . 1 1 72 72 LYS CB C 13 34.935 0.008 . 1 . . . . 72 LYS CB . 15458 1 823 . 1 1 72 72 LYS CD C 13 27.637 0.013 . 1 . . . . 72 LYS CD . 15458 1 824 . 1 1 72 72 LYS CE C 13 41.966 0.2 . 1 . . . . 72 LYS CE . 15458 1 825 . 1 1 72 72 LYS CG C 13 24.941 0.2 . 1 . . . . 72 LYS CG . 15458 1 826 . 1 1 72 72 LYS N N 15 119.946 0.2 . 1 . . . . 72 LYS N . 15458 1 827 . 1 1 73 73 ALA H H 1 8.132 0.015 . 1 . . . . 73 ALA H . 15458 1 828 . 1 1 73 73 ALA HA H 1 4.860 0.015 . 1 . . . . 73 ALA HA . 15458 1 829 . 1 1 73 73 ALA HB1 H 1 1.389 0.015 . 1 . . . . 73 ALA HB1 . 15458 1 830 . 1 1 73 73 ALA HB2 H 1 1.389 0.015 . 1 . . . . 73 ALA HB2 . 15458 1 831 . 1 1 73 73 ALA HB3 H 1 1.389 0.015 . 1 . . . . 73 ALA HB3 . 15458 1 832 . 1 1 73 73 ALA C C 13 179.164 0.2 . 1 . . . . 73 ALA C . 15458 1 833 . 1 1 73 73 ALA CA C 13 50.459 0.2 . 1 . . . . 73 ALA CA . 15458 1 834 . 1 1 73 73 ALA CB C 13 20.377 0.2 . 1 . . . . 73 ALA CB . 15458 1 835 . 1 1 73 73 ALA N N 15 121.836 0.2 . 1 . . . . 73 ALA N . 15458 1 836 . 1 1 74 74 LEU H H 1 8.350 0.015 . 1 . . . . 74 LEU H . 15458 1 837 . 1 1 74 74 LEU HA H 1 3.915 0.015 . 1 . . . . 74 LEU HA . 15458 1 838 . 1 1 74 74 LEU HB2 H 1 1.080 0.015 . 1 . . . . 74 LEU HB2 . 15458 1 839 . 1 1 74 74 LEU HB3 H 1 1.947 0.015 . 1 . . . . 74 LEU HB3 . 15458 1 840 . 1 1 74 74 LEU HD11 H 1 0.326 0.015 . 1 . . . . 74 LEU HD11 . 15458 1 841 . 1 1 74 74 LEU HD12 H 1 0.326 0.015 . 1 . . . . 74 LEU HD12 . 15458 1 842 . 1 1 74 74 LEU HD13 H 1 0.326 0.015 . 1 . . . . 74 LEU HD13 . 15458 1 843 . 1 1 74 74 LEU HD21 H 1 0.294 0.015 . 1 . . . . 74 LEU HD21 . 15458 1 844 . 1 1 74 74 LEU HD22 H 1 0.294 0.015 . 1 . . . . 74 LEU HD22 . 15458 1 845 . 1 1 74 74 LEU HD23 H 1 0.294 0.015 . 1 . . . . 74 LEU HD23 . 15458 1 846 . 1 1 74 74 LEU HG H 1 1.652 0.015 . 1 . . . . 74 LEU HG . 15458 1 847 . 1 1 74 74 LEU C C 13 179.179 0.2 . 1 . . . . 74 LEU C . 15458 1 848 . 1 1 74 74 LEU CA C 13 58.423 0.2 . 1 . . . . 74 LEU CA . 15458 1 849 . 1 1 74 74 LEU CB C 13 40.710 0.002 . 1 . . . . 74 LEU CB . 15458 1 850 . 1 1 74 74 LEU CD1 C 13 25.818 0.2 . 1 . . . . 74 LEU CD1 . 15458 1 851 . 1 1 74 74 LEU CD2 C 13 21.430 0.2 . 1 . . . . 74 LEU CD2 . 15458 1 852 . 1 1 74 74 LEU CG C 13 25.906 0.2 . 1 . . . . 74 LEU CG . 15458 1 853 . 1 1 74 74 LEU N N 15 118.542 0.2 . 1 . . . . 74 LEU N . 15458 1 854 . 1 1 75 75 ASP H H 1 8.079 0.015 . 1 . . . . 75 ASP H . 15458 1 855 . 1 1 75 75 ASP HA H 1 4.363 0.015 . 1 . . . . 75 ASP HA . 15458 1 856 . 1 1 75 75 ASP HB2 H 1 2.427 0.015 . 1 . . . . 75 ASP HB2 . 15458 1 857 . 1 1 75 75 ASP HB3 H 1 2.754 0.015 . 1 . . . . 75 ASP HB3 . 15458 1 858 . 1 1 75 75 ASP C C 13 178.707 0.2 . 1 . . . . 75 ASP C . 15458 1 859 . 1 1 75 75 ASP CA C 13 55.317 0.2 . 1 . . . . 75 ASP CA . 15458 1 860 . 1 1 75 75 ASP CB C 13 39.451 0.019 . 1 . . . . 75 ASP CB . 15458 1 861 . 1 1 75 75 ASP N N 15 113.513 0.2 . 1 . . . . 75 ASP N . 15458 1 862 . 1 1 76 76 TYR H H 1 7.890 0.015 . 1 . . . . 76 TYR H . 15458 1 863 . 1 1 76 76 TYR HA H 1 3.922 0.015 . 1 . . . . 76 TYR HA . 15458 1 864 . 1 1 76 76 TYR HB2 H 1 3.108 0.015 . 1 . . . . 76 TYR HB2 . 15458 1 865 . 1 1 76 76 TYR HB3 H 1 2.817 0.015 . 1 . . . . 76 TYR HB3 . 15458 1 866 . 1 1 76 76 TYR C C 13 176.432 0.2 . 1 . . . . 76 TYR C . 15458 1 867 . 1 1 76 76 TYR CA C 13 60.378 0.2 . 1 . . . . 76 TYR CA . 15458 1 868 . 1 1 76 76 TYR CB C 13 38.464 0.008 . 1 . . . . 76 TYR CB . 15458 1 869 . 1 1 76 76 TYR N N 15 124.001 0.2 . 1 . . . . 76 TYR N . 15458 1 870 . 1 1 77 77 TYR H H 1 7.562 0.015 . 1 . . . . 77 TYR H . 15458 1 871 . 1 1 77 77 TYR HA H 1 3.986 0.015 . 1 . . . . 77 TYR HA . 15458 1 872 . 1 1 77 77 TYR HB2 H 1 2.669 0.015 . 1 . . . . 77 TYR HB2 . 15458 1 873 . 1 1 77 77 TYR HB3 H 1 3.151 0.015 . 1 . . . . 77 TYR HB3 . 15458 1 874 . 1 1 77 77 TYR C C 13 174.179 0.2 . 1 . . . . 77 TYR C . 15458 1 875 . 1 1 77 77 TYR CA C 13 58.672 0.2 . 1 . . . . 77 TYR CA . 15458 1 876 . 1 1 77 77 TYR CB C 13 37.677 0.002 . 1 . . . . 77 TYR CB . 15458 1 877 . 1 1 77 77 TYR N N 15 113.792 0.2 . 1 . . . . 77 TYR N . 15458 1 878 . 1 1 78 78 MET H H 1 7.809 0.015 . 1 . . . . 78 MET H . 15458 1 879 . 1 1 78 78 MET HA H 1 4.071 0.015 . 1 . . . . 78 MET HA . 15458 1 880 . 1 1 78 78 MET HB2 H 1 2.067 0.015 . 1 . . . . 78 MET HB2 . 15458 1 881 . 1 1 78 78 MET HB3 H 1 2.012 0.015 . 1 . . . . 78 MET HB3 . 15458 1 882 . 1 1 78 78 MET HE1 H 1 2.046 0.015 . 1 . . . . 78 MET HE1 . 15458 1 883 . 1 1 78 78 MET HE2 H 1 2.046 0.015 . 1 . . . . 78 MET HE2 . 15458 1 884 . 1 1 78 78 MET HE3 H 1 2.046 0.015 . 1 . . . . 78 MET HE3 . 15458 1 885 . 1 1 78 78 MET HG2 H 1 2.272 0.015 . 1 . . . . 78 MET HG2 . 15458 1 886 . 1 1 78 78 MET HG3 H 1 2.326 0.015 . 1 . . . . 78 MET HG3 . 15458 1 887 . 1 1 78 78 MET C C 13 174.922 0.2 . 1 . . . . 78 MET C . 15458 1 888 . 1 1 78 78 MET CA C 13 55.418 0.2 . 1 . . . . 78 MET CA . 15458 1 889 . 1 1 78 78 MET CB C 13 28.372 0.2 . 1 . . . . 78 MET CB . 15458 1 890 . 1 1 78 78 MET CE C 13 17.191 0.2 . 1 . . . . 78 MET CE . 15458 1 891 . 1 1 78 78 MET CG C 13 31.767 0.005 . 1 . . . . 78 MET CG . 15458 1 892 . 1 1 78 78 MET N N 15 114.151 0.2 . 1 . . . . 78 MET N . 15458 1 893 . 1 1 79 79 LEU H H 1 6.791 0.015 . 1 . . . . 79 LEU H . 15458 1 894 . 1 1 79 79 LEU HA H 1 4.209 0.015 . 1 . . . . 79 LEU HA . 15458 1 895 . 1 1 79 79 LEU HB2 H 1 1.466 0.015 . 1 . . . . 79 LEU HB2 . 15458 1 896 . 1 1 79 79 LEU HB3 H 1 1.322 0.015 . 1 . . . . 79 LEU HB3 . 15458 1 897 . 1 1 79 79 LEU HD11 H 1 0.817 0.015 . 1 . . . . 79 LEU HD11 . 15458 1 898 . 1 1 79 79 LEU HD12 H 1 0.817 0.015 . 1 . . . . 79 LEU HD12 . 15458 1 899 . 1 1 79 79 LEU HD13 H 1 0.817 0.015 . 1 . . . . 79 LEU HD13 . 15458 1 900 . 1 1 79 79 LEU HD21 H 1 0.815 0.015 . 1 . . . . 79 LEU HD21 . 15458 1 901 . 1 1 79 79 LEU HD22 H 1 0.815 0.015 . 1 . . . . 79 LEU HD22 . 15458 1 902 . 1 1 79 79 LEU HD23 H 1 0.815 0.015 . 1 . . . . 79 LEU HD23 . 15458 1 903 . 1 1 79 79 LEU HG H 1 1.516 0.015 . 1 . . . . 79 LEU HG . 15458 1 904 . 1 1 79 79 LEU C C 13 175.832 0.2 . 1 . . . . 79 LEU C . 15458 1 905 . 1 1 79 79 LEU CA C 13 54.411 0.2 . 1 . . . . 79 LEU CA . 15458 1 906 . 1 1 79 79 LEU CB C 13 43.220 0.012 . 1 . . . . 79 LEU CB . 15458 1 907 . 1 1 79 79 LEU CD1 C 13 27.059 0.2 . 1 . . . . 79 LEU CD1 . 15458 1 908 . 1 1 79 79 LEU CD2 C 13 23.448 0.2 . 1 . . . . 79 LEU CD2 . 15458 1 909 . 1 1 79 79 LEU CG C 13 27.258 0.2 . 1 . . . . 79 LEU CG . 15458 1 910 . 1 1 79 79 LEU N N 15 117.865 0.2 . 1 . . . . 79 LEU N . 15458 1 911 . 1 1 80 80 ARG H H 1 8.917 0.015 . 1 . . . . 80 ARG H . 15458 1 912 . 1 1 80 80 ARG HA H 1 4.448 0.015 . 1 . . . . 80 ARG HA . 15458 1 913 . 1 1 80 80 ARG HB2 H 1 1.624 0.015 . 1 . . . . 80 ARG HB2 . 15458 1 914 . 1 1 80 80 ARG HB3 H 1 1.722 0.015 . 1 . . . . 80 ARG HB3 . 15458 1 915 . 1 1 80 80 ARG HD2 H 1 3.112 0.015 . 1 . . . . 80 ARG HD2 . 15458 1 916 . 1 1 80 80 ARG HD3 H 1 3.176 0.015 . 1 . . . . 80 ARG HD3 . 15458 1 917 . 1 1 80 80 ARG HG2 H 1 1.604 0.015 . 1 . . . . 80 ARG HG2 . 15458 1 918 . 1 1 80 80 ARG HG3 H 1 1.559 0.015 . 1 . . . . 80 ARG HG3 . 15458 1 919 . 1 1 80 80 ARG C C 13 174.812 0.2 . 1 . . . . 80 ARG C . 15458 1 920 . 1 1 80 80 ARG CA C 13 53.225 0.2 . 1 . . . . 80 ARG CA . 15458 1 921 . 1 1 80 80 ARG CB C 13 32.953 0.014 . 1 . . . . 80 ARG CB . 15458 1 922 . 1 1 80 80 ARG CD C 13 43.083 0.002 . 1 . . . . 80 ARG CD . 15458 1 923 . 1 1 80 80 ARG CG C 13 26.189 0.003 . 1 . . . . 80 ARG CG . 15458 1 924 . 1 1 80 80 ARG N N 15 120.698 0.2 . 1 . . . . 80 ARG N . 15458 1 925 . 1 1 81 81 ASN H H 1 8.358 0.015 . 1 . . . . 81 ASN H . 15458 1 926 . 1 1 81 81 ASN HA H 1 4.725 0.015 . 1 . . . . 81 ASN HA . 15458 1 927 . 1 1 81 81 ASN HB2 H 1 2.692 0.015 . 1 . . . . 81 ASN HB2 . 15458 1 928 . 1 1 81 81 ASN HB3 H 1 2.620 0.015 . 1 . . . . 81 ASN HB3 . 15458 1 929 . 1 1 81 81 ASN C C 13 177.636 0.2 . 1 . . . . 81 ASN C . 15458 1 930 . 1 1 81 81 ASN CA C 13 54.198 0.2 . 1 . . . . 81 ASN CA . 15458 1 931 . 1 1 81 81 ASN CB C 13 37.923 0.002 . 1 . . . . 81 ASN CB . 15458 1 932 . 1 1 81 81 ASN N N 15 117.339 0.2 . 1 . . . . 81 ASN N . 15458 1 933 . 1 1 82 82 GLY H H 1 9.302 0.015 . 1 . . . . 82 GLY H . 15458 1 934 . 1 1 82 82 GLY HA2 H 1 3.514 0.015 . 1 . . . . 82 GLY HA2 . 15458 1 935 . 1 1 82 82 GLY HA3 H 1 4.260 0.015 . 1 . . . . 82 GLY HA3 . 15458 1 936 . 1 1 82 82 GLY C C 13 174.211 0.2 . 1 . . . . 82 GLY C . 15458 1 937 . 1 1 82 82 GLY CA C 13 44.544 0.014 . 1 . . . . 82 GLY CA . 15458 1 938 . 1 1 82 82 GLY N N 15 112.153 0.2 . 1 . . . . 82 GLY N . 15458 1 939 . 1 1 83 83 ASP H H 1 8.076 0.015 . 1 . . . . 83 ASP H . 15458 1 940 . 1 1 83 83 ASP HA H 1 4.583 0.015 . 1 . . . . 83 ASP HA . 15458 1 941 . 1 1 83 83 ASP HB2 H 1 2.802 0.015 . 1 . . . . 83 ASP HB2 . 15458 1 942 . 1 1 83 83 ASP HB3 H 1 2.469 0.015 . 1 . . . . 83 ASP HB3 . 15458 1 943 . 1 1 83 83 ASP C C 13 174.189 0.2 . 1 . . . . 83 ASP C . 15458 1 944 . 1 1 83 83 ASP CA C 13 55.469 0.2 . 1 . . . . 83 ASP CA . 15458 1 945 . 1 1 83 83 ASP CB C 13 41.035 0.006 . 1 . . . . 83 ASP CB . 15458 1 946 . 1 1 83 83 ASP N N 15 122.008 0.2 . 1 . . . . 83 ASP N . 15458 1 947 . 1 1 84 84 THR H H 1 8.147 0.015 . 1 . . . . 84 THR H . 15458 1 948 . 1 1 84 84 THR HA H 1 5.335 0.015 . 1 . . . . 84 THR HA . 15458 1 949 . 1 1 84 84 THR HB H 1 3.875 0.015 . 1 . . . . 84 THR HB . 15458 1 950 . 1 1 84 84 THR HG21 H 1 1.012 0.015 . 1 . . . . 84 THR HG21 . 15458 1 951 . 1 1 84 84 THR HG22 H 1 1.012 0.015 . 1 . . . . 84 THR HG22 . 15458 1 952 . 1 1 84 84 THR HG23 H 1 1.012 0.015 . 1 . . . . 84 THR HG23 . 15458 1 953 . 1 1 84 84 THR C C 13 174.277 0.2 . 1 . . . . 84 THR C . 15458 1 954 . 1 1 84 84 THR CA C 13 60.946 0.2 . 1 . . . . 84 THR CA . 15458 1 955 . 1 1 84 84 THR CB C 13 70.358 0.2 . 1 . . . . 84 THR CB . 15458 1 956 . 1 1 84 84 THR CG2 C 13 20.697 0.2 . 1 . . . . 84 THR CG2 . 15458 1 957 . 1 1 84 84 THR N N 15 113.947 0.2 . 1 . . . . 84 THR N . 15458 1 958 . 1 1 85 85 MET H H 1 9.033 0.015 . 1 . . . . 85 MET H . 15458 1 959 . 1 1 85 85 MET HA H 1 4.906 0.015 . 1 . . . . 85 MET HA . 15458 1 960 . 1 1 85 85 MET HB2 H 1 1.817 0.015 . 1 . . . . 85 MET HB2 . 15458 1 961 . 1 1 85 85 MET HB3 H 1 1.713 0.015 . 1 . . . . 85 MET HB3 . 15458 1 962 . 1 1 85 85 MET HE1 H 1 1.468 0.015 . 1 . . . . 85 MET HE1 . 15458 1 963 . 1 1 85 85 MET HE2 H 1 1.468 0.015 . 1 . . . . 85 MET HE2 . 15458 1 964 . 1 1 85 85 MET HE3 H 1 1.468 0.015 . 1 . . . . 85 MET HE3 . 15458 1 965 . 1 1 85 85 MET HG2 H 1 2.146 0.015 . 1 . . . . 85 MET HG2 . 15458 1 966 . 1 1 85 85 MET HG3 H 1 2.146 0.015 . 1 . . . . 85 MET HG3 . 15458 1 967 . 1 1 85 85 MET C C 13 173.721 0.2 . 1 . . . . 85 MET C . 15458 1 968 . 1 1 85 85 MET CA C 13 53.656 0.2 . 1 . . . . 85 MET CA . 15458 1 969 . 1 1 85 85 MET CB C 13 36.689 0.003 . 1 . . . . 85 MET CB . 15458 1 970 . 1 1 85 85 MET CE C 13 17.505 0.2 . 1 . . . . 85 MET CE . 15458 1 971 . 1 1 85 85 MET CG C 13 31.157 0.2 . 1 . . . . 85 MET CG . 15458 1 972 . 1 1 85 85 MET N N 15 122.966 0.2 . 1 . . . . 85 MET N . 15458 1 973 . 1 1 86 86 GLU H H 1 9.134 0.015 . 1 . . . . 86 GLU H . 15458 1 974 . 1 1 86 86 GLU HA H 1 5.181 0.015 . 1 . . . . 86 GLU HA . 15458 1 975 . 1 1 86 86 GLU HB2 H 1 1.962 0.015 . 1 . . . . 86 GLU HB2 . 15458 1 976 . 1 1 86 86 GLU HB3 H 1 1.962 0.015 . 1 . . . . 86 GLU HB3 . 15458 1 977 . 1 1 86 86 GLU HG2 H 1 2.024 0.015 . 1 . . . . 86 GLU HG2 . 15458 1 978 . 1 1 86 86 GLU HG3 H 1 2.384 0.015 . 1 . . . . 86 GLU HG3 . 15458 1 979 . 1 1 86 86 GLU C C 13 175.235 0.2 . 1 . . . . 86 GLU C . 15458 1 980 . 1 1 86 86 GLU CA C 13 54.217 0.2 . 1 . . . . 86 GLU CA . 15458 1 981 . 1 1 86 86 GLU CB C 13 32.043 0.2 . 1 . . . . 86 GLU CB . 15458 1 982 . 1 1 86 86 GLU CG C 13 35.772 0.006 . 1 . . . . 86 GLU CG . 15458 1 983 . 1 1 86 86 GLU N N 15 121.597 0.2 . 1 . . . . 86 GLU N . 15458 1 984 . 1 1 87 87 TYR H H 1 8.553 0.015 . 1 . . . . 87 TYR H . 15458 1 985 . 1 1 87 87 TYR HA H 1 5.422 0.015 . 1 . . . . 87 TYR HA . 15458 1 986 . 1 1 87 87 TYR HB2 H 1 2.451 0.015 . 1 . . . . 87 TYR HB2 . 15458 1 987 . 1 1 87 87 TYR HB3 H 1 3.100 0.015 . 1 . . . . 87 TYR HB3 . 15458 1 988 . 1 1 87 87 TYR C C 13 173.993 0.2 . 1 . . . . 87 TYR C . 15458 1 989 . 1 1 87 87 TYR CA C 13 56.801 0.2 . 1 . . . . 87 TYR CA . 15458 1 990 . 1 1 87 87 TYR CB C 13 38.334 0.005 . 1 . . . . 87 TYR CB . 15458 1 991 . 1 1 87 87 TYR N N 15 127.314 0.2 . 1 . . . . 87 TYR N . 15458 1 992 . 1 1 88 88 ARG H H 1 8.674 0.015 . 1 . . . . 88 ARG H . 15458 1 993 . 1 1 88 88 ARG HA H 1 4.674 0.015 . 1 . . . . 88 ARG HA . 15458 1 994 . 1 1 88 88 ARG HB2 H 1 1.501 0.015 . 1 . . . . 88 ARG HB2 . 15458 1 995 . 1 1 88 88 ARG HB3 H 1 1.739 0.015 . 1 . . . . 88 ARG HB3 . 15458 1 996 . 1 1 88 88 ARG HD2 H 1 2.458 0.015 . 1 . . . . 88 ARG HD2 . 15458 1 997 . 1 1 88 88 ARG HD3 H 1 2.279 0.015 . 1 . . . . 88 ARG HD3 . 15458 1 998 . 1 1 88 88 ARG HG2 H 1 1.499 0.015 . 1 . . . . 88 ARG HG2 . 15458 1 999 . 1 1 88 88 ARG HG3 H 1 1.439 0.015 . 1 . . . . 88 ARG HG3 . 15458 1 1000 . 1 1 88 88 ARG C C 13 173.681 0.2 . 1 . . . . 88 ARG C . 15458 1 1001 . 1 1 88 88 ARG CA C 13 54.497 0.2 . 1 . . . . 88 ARG CA . 15458 1 1002 . 1 1 88 88 ARG CB C 13 34.187 0.006 . 1 . . . . 88 ARG CB . 15458 1 1003 . 1 1 88 88 ARG CD C 13 43.170 0.002 . 1 . . . . 88 ARG CD . 15458 1 1004 . 1 1 88 88 ARG CG C 13 25.904 0.005 . 1 . . . . 88 ARG CG . 15458 1 1005 . 1 1 88 88 ARG N N 15 125.609 0.2 . 1 . . . . 88 ARG N . 15458 1 1006 . 1 1 89 89 LYS H H 1 8.289 0.015 . 1 . . . . 89 LYS H . 15458 1 1007 . 1 1 89 89 LYS HA H 1 3.424 0.015 . 1 . . . . 89 LYS HA . 15458 1 1008 . 1 1 89 89 LYS HB2 H 1 1.209 0.015 . 1 . . . . 89 LYS HB2 . 15458 1 1009 . 1 1 89 89 LYS HB3 H 1 1.398 0.015 . 1 . . . . 89 LYS HB3 . 15458 1 1010 . 1 1 89 89 LYS HD2 H 1 0.956 0.015 . 1 . . . . 89 LYS HD2 . 15458 1 1011 . 1 1 89 89 LYS HD3 H 1 0.956 0.015 . 1 . . . . 89 LYS HD3 . 15458 1 1012 . 1 1 89 89 LYS HE2 H 1 2.780 0.015 . 1 . . . . 89 LYS HE2 . 15458 1 1013 . 1 1 89 89 LYS HE3 H 1 2.780 0.015 . 1 . . . . 89 LYS HE3 . 15458 1 1014 . 1 1 89 89 LYS HG2 H 1 0.738 0.015 . 1 . . . . 89 LYS HG2 . 15458 1 1015 . 1 1 89 89 LYS HG3 H 1 0.738 0.015 . 1 . . . . 89 LYS HG3 . 15458 1 1016 . 1 1 89 89 LYS C C 13 176.525 0.2 . 1 . . . . 89 LYS C . 15458 1 1017 . 1 1 89 89 LYS CA C 13 56.329 0.2 . 1 . . . . 89 LYS CA . 15458 1 1018 . 1 1 89 89 LYS CB C 13 32.323 0.013 . 1 . . . . 89 LYS CB . 15458 1 1019 . 1 1 89 89 LYS CD C 13 24.634 0.2 . 1 . . . . 89 LYS CD . 15458 1 1020 . 1 1 89 89 LYS CE C 13 41.843 0.2 . 1 . . . . 89 LYS CE . 15458 1 1021 . 1 1 89 89 LYS CG C 13 24.827 0.2 . 1 . . . . 89 LYS CG . 15458 1 1022 . 1 1 89 89 LYS N N 15 124.096 0.2 . 1 . . . . 89 LYS N . 15458 1 1023 . 1 1 90 90 LYS H H 1 8.218 0.015 . 1 . . . . 90 LYS H . 15458 1 1024 . 1 1 90 90 LYS HA H 1 3.597 0.015 . 1 . . . . 90 LYS HA . 15458 1 1025 . 1 1 90 90 LYS HB2 H 1 1.171 0.015 . 1 . . . . 90 LYS HB2 . 15458 1 1026 . 1 1 90 90 LYS HB3 H 1 0.964 0.015 . 1 . . . . 90 LYS HB3 . 15458 1 1027 . 1 1 90 90 LYS HD2 H 1 0.956 0.015 . 1 . . . . 90 LYS HD2 . 15458 1 1028 . 1 1 90 90 LYS HD3 H 1 0.965 0.015 . 1 . . . . 90 LYS HD3 . 15458 1 1029 . 1 1 90 90 LYS HE2 H 1 2.325 0.015 . 1 . . . . 90 LYS HE2 . 15458 1 1030 . 1 1 90 90 LYS HE3 H 1 2.308 0.015 . 1 . . . . 90 LYS HE3 . 15458 1 1031 . 1 1 90 90 LYS HG2 H 1 0.481 0.015 . 1 . . . . 90 LYS HG2 . 15458 1 1032 . 1 1 90 90 LYS HG3 H 1 0.349 0.015 . 1 . . . . 90 LYS HG3 . 15458 1 1033 . 1 1 90 90 LYS CA C 13 56.812 0.2 . 1 . . . . 90 LYS CA . 15458 1 1034 . 1 1 90 90 LYS CB C 13 32.191 0.018 . 1 . . . . 90 LYS CB . 15458 1 1035 . 1 1 90 90 LYS CD C 13 28.626 0.004 . 1 . . . . 90 LYS CD . 15458 1 1036 . 1 1 90 90 LYS CE C 13 41.374 0.2 . 1 . . . . 90 LYS CE . 15458 1 1037 . 1 1 90 90 LYS CG C 13 24.453 0.004 . 1 . . . . 90 LYS CG . 15458 1 1038 . 1 1 90 90 LYS N N 15 126.428 0.2 . 1 . . . . 90 LYS N . 15458 1 1039 . 1 1 91 91 GLN H H 1 7.273 0.015 . 1 . . . . 91 GLN H . 15458 1 1040 . 1 1 91 91 GLN HA H 1 3.962 0.015 . 1 . . . . 91 GLN HA . 15458 1 1041 . 1 1 91 91 GLN HB2 H 1 1.898 0.015 . 1 . . . . 91 GLN HB2 . 15458 1 1042 . 1 1 91 91 GLN HB3 H 1 1.719 0.015 . 1 . . . . 91 GLN HB3 . 15458 1 1043 . 1 1 91 91 GLN HG2 H 1 2.066 0.015 . 1 . . . . 91 GLN HG2 . 15458 1 1044 . 1 1 91 91 GLN HG3 H 1 2.066 0.015 . 1 . . . . 91 GLN HG3 . 15458 1 1045 . 1 1 91 91 GLN CA C 13 56.543 0.2 . 1 . . . . 91 GLN CA . 15458 1 1046 . 1 1 91 91 GLN CB C 13 30.161 0.001 . 1 . . . . 91 GLN CB . 15458 1 1047 . 1 1 91 91 GLN CG C 13 33.500 0.2 . 1 . . . . 91 GLN CG . 15458 1 1048 . 1 1 91 91 GLN N N 15 124.808 0.2 . 1 . . . . 91 GLN N . 15458 1 stop_ save_