data_15933 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15933 _Entry.Title ; NOGO66 in DPC. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-08-29 _Entry.Accession_date 2008-08-29 _Entry.Last_release_date 2010-05-06 _Entry.Original_release_date 2010-05-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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 Melanie Cocco . J. . 15933 2 Jessica Schulz . . . 15933 3 Sheeja Vasudevan . V. . 15933 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 . 'not applicable' 'not applicable' . 15933 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DPC micelle' . 15933 'membrane protein' . 15933 'myelin inhibitor' . 15933 NOGO . 15933 Peripheral . 15933 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15933 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 200 15933 '15N chemical shifts' 67 15933 '1H chemical shifts' 432 15933 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 . . 2010-05-06 2008-08-29 original author . 15933 stop_ save_ ############### # Citations # ############### save_NOGO66 _Citation.Sf_category citations _Citation.Sf_framecode NOGO66 _Citation.Entry_ID 15933 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20351248 _Citation.Full_citation . _Citation.Title 'Protein folding at the membrane interface, the structure of Nogo-66 requires interactions with a phosphocholine surface.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 107 _Citation.Journal_issue 15 _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 6847 _Citation.Page_last 6851 _Citation.Year 2010 _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 Sheeja Vasudevan . V. . 15933 1 2 Jessica Schulz . . . 15933 1 3 Chunyi Zhou . . . 15933 1 4 Melanie Cocco . J. . 15933 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15933 _Assembly.ID 1 _Assembly.Name NOGO _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 NOGO 1 $NOGO A . yes native no no . . . 15933 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NOGO _Entity.Sf_category entity _Entity.Sf_framecode NOGO _Entity.Entry_ID 15933 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NOGO _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 ; MHHHHHHLVPRGMRIYKGVI QAIQKSDEGHPFRAYLESEV AISEELVQKYSNSALGHVNS TIKELRRLFLVDDLVDSLK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The numbering for the constraint files is more by 13 than the coordinate file.' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'This fragment is the extracellular domain of the neurite outgrowth inhibitor also know as RTN-4' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16257 . Nogo66_at_pH4.0 . . . . . 100.00 79 100.00 100.00 7.32e-49 . . . . 15933 1 2 no PDB 2G31 . "Human Nogo-A Functional Domain: Nogo60" . . . . . 75.95 60 98.33 98.33 1.56e-33 . . . . 15933 1 3 no PDB 2JV5 . Nogo54 . . . . . 68.35 54 98.15 98.15 1.01e-28 . . . . 15933 1 4 no PDB 2KO2 . Nogo66 . . . . . 100.00 79 100.00 100.00 7.32e-49 . . . . 15933 1 5 no DBJ BAA74909 . "KIAA0886 protein [Homo sapiens]" . . . . . 83.54 1192 98.48 98.48 2.05e-33 . . . . 15933 1 6 no DBJ BAA83712 . "ASY [Homo sapiens]" . . . . . 83.54 373 98.48 98.48 1.69e-35 . . . . 15933 1 7 no DBJ BAB18927 . "RTN-xL [Homo sapiens]" . . . . . 83.54 1192 98.48 98.48 2.05e-33 . . . . 15933 1 8 no DBJ BAB18928 . "RTN-xS [Homo sapiens]" . . . . . 83.54 373 98.48 98.48 1.69e-35 . . . . 15933 1 9 no DBJ BAC75974 . "Nogo-A [Mus musculus]" . . . . . 83.54 578 100.00 100.00 5.60e-34 . . . . 15933 1 10 no EMBL CAB71027 . "Nogo-A protein [Rattus norvegicus]" . . . . . 83.54 1163 100.00 100.00 4.79e-34 . . . . 15933 1 11 no EMBL CAB71028 . "Nogo-B protein [Rattus norvegicus]" . . . . . 83.54 360 100.00 100.00 2.46e-36 . . . . 15933 1 12 no EMBL CAB99248 . "Nogo-A protein [Homo sapiens]" . . . . . 83.54 1192 98.48 98.48 2.01e-33 . . . . 15933 1 13 no EMBL CAB99249 . "Nogo-B protein [Homo sapiens]" . . . . . 83.54 373 98.48 98.48 1.69e-35 . . . . 15933 1 14 no EMBL CAH93187 . "hypothetical protein [Pongo abelii]" . . . . . 83.54 199 98.48 98.48 7.67e-37 . . . . 15933 1 15 no GB AAD31019 . "foocen-m2 [Rattus norvegicus]" . . . . . 83.54 379 100.00 100.00 3.27e-36 . . . . 15933 1 16 no GB AAD31020 . "foocen-m1 [Rattus norvegicus]" . . . . . 83.54 358 100.00 100.00 2.38e-36 . . . . 15933 1 17 no GB AAD31021 . "foocen-m [Homo sapiens]" . . . . . 83.54 373 98.48 98.48 1.69e-35 . . . . 15933 1 18 no GB AAG12176 . "reticulon 4a [Homo sapiens]" . . . . . 83.54 1192 98.48 98.48 2.05e-33 . . . . 15933 1 19 no GB AAG12177 . "reticulon 4b [Homo sapiens]" . . . . . 83.54 373 98.48 98.48 1.69e-35 . . . . 15933 1 20 no REF NP_001106692 . "reticulon-4 isoform 2 [Bos taurus]" . . . . . 83.54 379 98.48 98.48 1.84e-35 . . . . 15933 1 21 no REF NP_001126875 . "reticulon-4 [Pongo abelii]" . . . . . 83.54 199 98.48 98.48 7.67e-37 . . . . 15933 1 22 no REF NP_001192056 . "reticulon 4 [Macaca mulatta]" . . . . . 83.54 1193 96.97 98.48 6.46e-33 . . . . 15933 1 23 no REF NP_065393 . "reticulon-4 isoform A [Homo sapiens]" . . . . . 83.54 1192 98.48 98.48 2.05e-33 . . . . 15933 1 24 no REF NP_114019 . "reticulon-4 [Rattus norvegicus]" . . . . . 83.54 1163 100.00 100.00 4.79e-34 . . . . 15933 1 25 no SP Q99P72 . "RecName: Full=Reticulon-4; AltName: Full=Neurite outgrowth inhibitor; Short=Nogo protein" . . . . . 83.54 1162 100.00 100.00 7.71e-34 . . . . 15933 1 26 no SP Q9JK11 . "RecName: Full=Reticulon-4; AltName: Full=Foocen; AltName: Full=Glut4 vesicle 20 kDa protein; AltName: Full=Neurite outgrowth in" . . . . . 83.54 1163 100.00 100.00 4.79e-34 . . . . 15933 1 27 no SP Q9NQC3 . "RecName: Full=Reticulon-4; AltName: Full=Foocen; AltName: Full=Neurite outgrowth inhibitor; Short=Nogo protein; AltName: Full=N" . . . . . 83.54 1192 98.48 98.48 2.05e-33 . . . . 15933 1 28 no TPG DAA24679 . "TPA: reticulon 4 isoform 2 [Bos taurus]" . . . . . 83.54 379 98.48 98.48 1.84e-35 . . . . 15933 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15933 1 2 . HIS . 15933 1 3 . HIS . 15933 1 4 . HIS . 15933 1 5 . HIS . 15933 1 6 . HIS . 15933 1 7 . HIS . 15933 1 8 . LEU . 15933 1 9 . VAL . 15933 1 10 . PRO . 15933 1 11 . ARG . 15933 1 12 . GLY . 15933 1 13 . MET . 15933 1 14 . ARG . 15933 1 15 . ILE . 15933 1 16 . TYR . 15933 1 17 . LYS . 15933 1 18 . GLY . 15933 1 19 . VAL . 15933 1 20 . ILE . 15933 1 21 . GLN . 15933 1 22 . ALA . 15933 1 23 . ILE . 15933 1 24 . GLN . 15933 1 25 . LYS . 15933 1 26 . SER . 15933 1 27 . ASP . 15933 1 28 . GLU . 15933 1 29 . GLY . 15933 1 30 . HIS . 15933 1 31 . PRO . 15933 1 32 . PHE . 15933 1 33 . ARG . 15933 1 34 . ALA . 15933 1 35 . TYR . 15933 1 36 . LEU . 15933 1 37 . GLU . 15933 1 38 . SER . 15933 1 39 . GLU . 15933 1 40 . VAL . 15933 1 41 . ALA . 15933 1 42 . ILE . 15933 1 43 . SER . 15933 1 44 . GLU . 15933 1 45 . GLU . 15933 1 46 . LEU . 15933 1 47 . VAL . 15933 1 48 . GLN . 15933 1 49 . LYS . 15933 1 50 . TYR . 15933 1 51 . SER . 15933 1 52 . ASN . 15933 1 53 . SER . 15933 1 54 . ALA . 15933 1 55 . LEU . 15933 1 56 . GLY . 15933 1 57 . HIS . 15933 1 58 . VAL . 15933 1 59 . ASN . 15933 1 60 . SER . 15933 1 61 . THR . 15933 1 62 . ILE . 15933 1 63 . LYS . 15933 1 64 . GLU . 15933 1 65 . LEU . 15933 1 66 . ARG . 15933 1 67 . ARG . 15933 1 68 . LEU . 15933 1 69 . PHE . 15933 1 70 . LEU . 15933 1 71 . VAL . 15933 1 72 . ASP . 15933 1 73 . ASP . 15933 1 74 . LEU . 15933 1 75 . VAL . 15933 1 76 . ASP . 15933 1 77 . SER . 15933 1 78 . LEU . 15933 1 79 . LYS . 15933 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15933 1 . HIS 2 2 15933 1 . HIS 3 3 15933 1 . HIS 4 4 15933 1 . HIS 5 5 15933 1 . HIS 6 6 15933 1 . HIS 7 7 15933 1 . LEU 8 8 15933 1 . VAL 9 9 15933 1 . PRO 10 10 15933 1 . ARG 11 11 15933 1 . GLY 12 12 15933 1 . MET 13 13 15933 1 . ARG 14 14 15933 1 . ILE 15 15 15933 1 . TYR 16 16 15933 1 . LYS 17 17 15933 1 . GLY 18 18 15933 1 . VAL 19 19 15933 1 . ILE 20 20 15933 1 . GLN 21 21 15933 1 . ALA 22 22 15933 1 . ILE 23 23 15933 1 . GLN 24 24 15933 1 . LYS 25 25 15933 1 . SER 26 26 15933 1 . ASP 27 27 15933 1 . GLU 28 28 15933 1 . GLY 29 29 15933 1 . HIS 30 30 15933 1 . PRO 31 31 15933 1 . PHE 32 32 15933 1 . ARG 33 33 15933 1 . ALA 34 34 15933 1 . TYR 35 35 15933 1 . LEU 36 36 15933 1 . GLU 37 37 15933 1 . SER 38 38 15933 1 . GLU 39 39 15933 1 . VAL 40 40 15933 1 . ALA 41 41 15933 1 . ILE 42 42 15933 1 . SER 43 43 15933 1 . GLU 44 44 15933 1 . GLU 45 45 15933 1 . LEU 46 46 15933 1 . VAL 47 47 15933 1 . GLN 48 48 15933 1 . LYS 49 49 15933 1 . TYR 50 50 15933 1 . SER 51 51 15933 1 . ASN 52 52 15933 1 . SER 53 53 15933 1 . ALA 54 54 15933 1 . LEU 55 55 15933 1 . GLY 56 56 15933 1 . HIS 57 57 15933 1 . VAL 58 58 15933 1 . ASN 59 59 15933 1 . SER 60 60 15933 1 . THR 61 61 15933 1 . ILE 62 62 15933 1 . LYS 63 63 15933 1 . GLU 64 64 15933 1 . LEU 65 65 15933 1 . ARG 66 66 15933 1 . ARG 67 67 15933 1 . LEU 68 68 15933 1 . PHE 69 69 15933 1 . LEU 70 70 15933 1 . VAL 71 71 15933 1 . ASP 72 72 15933 1 . ASP 73 73 15933 1 . LEU 74 74 15933 1 . VAL 75 75 15933 1 . ASP 76 76 15933 1 . SER 77 77 15933 1 . LEU 78 78 15933 1 . LYS 79 79 15933 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 15933 _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 $NOGO . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 15933 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 15933 _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 $NOGO . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET28b . . . . . . 15933 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15933 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NOGO 'natural abundance' . . 1 $NOGO . . 0.5-1.0 . . mM . . . . 15933 1 2 NOGO '[U-100% 15N]' . . 1 $NOGO . . 0.5-1.0 . . mM . . . . 15933 1 3 NOGO '[U-100% 13C]' . . 1 $NOGO . . 0.5 . . mM . . . . 15933 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15933 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15933 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15933 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.0 . M 15933 1 pH 4.0 . pH 15933 1 pressure 1 . atm 15933 1 temperature 308.15 . K 15933 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15933 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.20 _Software.Details 'XPLOR-NIH is a structure determination program built on the X-PLOR program. This program includes additional tools developed at the NIH.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' ; Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health Bethesda, Maryland MD 20892-0510 ; xplor-nih@nmr.cit.nih.gov 15933 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15933 1 'structure solution' 15933 1 stop_ save_ save_ANALYSIS _Software.Sf_category software _Software.Sf_framecode ANALYSIS _Software.Entry_ID 15933 _Software.ID 2 _Software.Name ANALYSIS _Software.Version 1.0.15 _Software.Details 'CcpNmr Analysis is a graphics-based interactive NMR assignment and project management program.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'University of Cambridge, Department of Biochemistry' ccpn@mole.bio.cam.ac.uk 15933 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15933 2 'data analysis' 15933 2 'peak picking' 15933 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15933 _Software.ID 3 _Software.Name NMRDraw _Software.Version 2.2 _Software.Details 'NMRDraw is the companion graphical interface for NMRPipe and its processing tools.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' 'National Institute of Diabetes, Digestive and Kidney Disorders, NIH' delaglio@nmrscience.com 15933 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15933 3 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 15933 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15933 _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 Varian INOVA . 800 . . . 15933 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 15933 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15933 1 2 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15933 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15933 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15933 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15933 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15933 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15933 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15933 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15933 1 10 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15933 1 11 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15933 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 15933 _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 0.0 external indirect 0.251449530 . . . . . . . . . 15933 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 15933 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 15933 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 15933 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '2D 1H-1H NOESY' . . . 15933 1 4 '2D 1H-1H TOCSY' . . . 15933 1 6 '3D 1H-13C NOESY' . . . 15933 1 7 '3D HCCH-TOCSY' . . . 15933 1 8 '3D HNCACB' . . . 15933 1 9 '3D HN(CO)CA' . . . 15933 1 10 '3D HNCO' . . . 15933 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $ANALYSIS . . 15933 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 11 11 ARG C C 13 177.986 0.000 . 1 . . . . 11 ARG C . 15933 1 2 . 1 1 11 11 ARG CA C 13 58.210 0.000 . 1 . . . . 11 ARG CA . 15933 1 3 . 1 1 11 11 ARG CB C 13 30.766 0.000 . 1 . . . . 11 ARG CB . 15933 1 4 . 1 1 12 12 GLY H H 1 8.749 0.021 . 1 . . . . 12 GLY H . 15933 1 5 . 1 1 12 12 GLY HA2 H 1 3.847 0.001 . 1 . . . . 12 GLY HA2 . 15933 1 6 . 1 1 12 12 GLY CA C 13 47.086 0.000 . 1 . . . . 12 GLY CA . 15933 1 7 . 1 1 12 12 GLY N N 15 107.535 0.130 . 1 . . . . 12 GLY N . 15933 1 8 . 1 1 13 13 MET H H 1 8.290 0.007 . 1 . . . . 13 MET H . 15933 1 9 . 1 1 13 13 MET HA H 1 4.460 0.001 . 1 . . . . 13 MET HA . 15933 1 10 . 1 1 13 13 MET HB2 H 1 2.183 0.001 . 1 . . . . 13 MET HB2 . 15933 1 11 . 1 1 13 13 MET HB3 H 1 2.183 0.001 . 1 . . . . 13 MET HB3 . 15933 1 12 . 1 1 13 13 MET HG2 H 1 2.627 0.003 . 2 . . . . 13 MET HG2 . 15933 1 13 . 1 1 13 13 MET HG3 H 1 2.716 0.000 . 2 . . . . 13 MET HG3 . 15933 1 14 . 1 1 13 13 MET CA C 13 57.410 0.000 . 1 . . . . 13 MET CA . 15933 1 15 . 1 1 13 13 MET N N 15 119.416 0.049 . 1 . . . . 13 MET N . 15933 1 16 . 1 1 14 14 ARG H H 1 8.086 0.012 . 1 . . . . 14 ARG H . 15933 1 17 . 1 1 14 14 ARG HA H 1 4.165 0.008 . 1 . . . . 14 ARG HA . 15933 1 18 . 1 1 14 14 ARG HB2 H 1 1.985 0.010 . 1 . . . . 14 ARG HB2 . 15933 1 19 . 1 1 14 14 ARG HB3 H 1 1.985 0.010 . 1 . . . . 14 ARG HB3 . 15933 1 20 . 1 1 14 14 ARG HD2 H 1 3.275 0.010 . 1 . . . . 14 ARG HD2 . 15933 1 21 . 1 1 14 14 ARG HD3 H 1 3.285 0.000 . 1 . . . . 14 ARG HD3 . 15933 1 22 . 1 1 14 14 ARG HG2 H 1 1.695 0.021 . 2 . . . . 14 ARG HG2 . 15933 1 23 . 1 1 14 14 ARG HG3 H 1 1.784 0.019 . 2 . . . . 14 ARG HG3 . 15933 1 24 . 1 1 14 14 ARG CA C 13 58.998 0.022 . 1 . . . . 14 ARG CA . 15933 1 25 . 1 1 14 14 ARG CB C 13 30.101 0.009 . 1 . . . . 14 ARG CB . 15933 1 26 . 1 1 14 14 ARG CG C 13 27.786 0.000 . 1 . . . . 14 ARG CG . 15933 1 27 . 1 1 14 14 ARG N N 15 119.452 0.140 . 1 . . . . 14 ARG N . 15933 1 28 . 1 1 15 15 ILE H H 1 7.901 0.012 . 1 . . . . 15 ILE H . 15933 1 29 . 1 1 15 15 ILE HA H 1 3.874 0.013 . 1 . . . . 15 ILE HA . 15933 1 30 . 1 1 15 15 ILE HB H 1 2.055 0.014 . 1 . . . . 15 ILE HB . 15933 1 31 . 1 1 15 15 ILE HG12 H 1 1.233 0.006 . 2 . . . . 15 ILE HG12 . 15933 1 32 . 1 1 15 15 ILE HG13 H 1 1.720 0.005 . 2 . . . . 15 ILE HG13 . 15933 1 33 . 1 1 15 15 ILE HG21 H 1 0.922 0.007 . 1 . . . . 15 ILE HG21 . 15933 1 34 . 1 1 15 15 ILE HG22 H 1 0.922 0.007 . 1 . . . . 15 ILE HG22 . 15933 1 35 . 1 1 15 15 ILE HG23 H 1 0.922 0.007 . 1 . . . . 15 ILE HG23 . 15933 1 36 . 1 1 15 15 ILE CA C 13 64.259 0.000 . 1 . . . . 15 ILE CA . 15933 1 37 . 1 1 15 15 ILE CB C 13 37.936 0.032 . 1 . . . . 15 ILE CB . 15933 1 38 . 1 1 15 15 ILE N N 15 119.397 0.127 . 1 . . . . 15 ILE N . 15933 1 39 . 1 1 16 16 TYR H H 1 8.115 0.011 . 1 . . . . 16 TYR H . 15933 1 40 . 1 1 16 16 TYR HA H 1 4.167 0.012 . 1 . . . . 16 TYR HA . 15933 1 41 . 1 1 16 16 TYR HB2 H 1 3.113 0.007 . 2 . . . . 16 TYR HB2 . 15933 1 42 . 1 1 16 16 TYR HB3 H 1 3.248 0.006 . 2 . . . . 16 TYR HB3 . 15933 1 43 . 1 1 16 16 TYR HD1 H 1 7.022 0.009 . 3 . . . . 16 TYR HD1 . 15933 1 44 . 1 1 16 16 TYR HD2 H 1 7.022 0.009 . 3 . . . . 16 TYR HD2 . 15933 1 45 . 1 1 16 16 TYR HE1 H 1 6.779 0.006 . 3 . . . . 16 TYR HE1 . 15933 1 46 . 1 1 16 16 TYR HE2 H 1 6.779 0.006 . 3 . . . . 16 TYR HE2 . 15933 1 47 . 1 1 16 16 TYR CA C 13 61.293 0.093 . 1 . . . . 16 TYR CA . 15933 1 48 . 1 1 16 16 TYR CB C 13 38.750 0.000 . 1 . . . . 16 TYR CB . 15933 1 49 . 1 1 16 16 TYR N N 15 120.219 0.085 . 1 . . . . 16 TYR N . 15933 1 50 . 1 1 17 17 LYS H H 1 8.288 0.008 . 1 . . . . 17 LYS H . 15933 1 51 . 1 1 17 17 LYS HA H 1 4.479 0.008 . 1 . . . . 17 LYS HA . 15933 1 52 . 1 1 17 17 LYS CA C 13 59.322 0.048 . 1 . . . . 17 LYS CA . 15933 1 53 . 1 1 17 17 LYS CB C 13 32.242 0.000 . 1 . . . . 17 LYS CB . 15933 1 54 . 1 1 17 17 LYS N N 15 117.230 0.108 . 1 . . . . 17 LYS N . 15933 1 55 . 1 1 18 18 GLY H H 1 8.055 0.011 . 1 . . . . 18 GLY H . 15933 1 56 . 1 1 18 18 GLY HA2 H 1 3.841 0.005 . 2 . . . . 18 GLY HA2 . 15933 1 57 . 1 1 18 18 GLY HA3 H 1 3.972 0.004 . 2 . . . . 18 GLY HA3 . 15933 1 58 . 1 1 18 18 GLY CA C 13 47.012 0.116 . 1 . . . . 18 GLY CA . 15933 1 59 . 1 1 18 18 GLY N N 15 106.805 0.054 . 1 . . . . 18 GLY N . 15933 1 60 . 1 1 19 19 VAL H H 1 8.294 0.012 . 1 . . . . 19 VAL H . 15933 1 61 . 1 1 19 19 VAL HA H 1 3.715 0.011 . 1 . . . . 19 VAL HA . 15933 1 62 . 1 1 19 19 VAL HB H 1 2.267 0.011 . 1 . . . . 19 VAL HB . 15933 1 63 . 1 1 19 19 VAL HG11 H 1 0.940 0.010 . 2 . . . . 19 VAL HG11 . 15933 1 64 . 1 1 19 19 VAL HG12 H 1 0.940 0.010 . 2 . . . . 19 VAL HG12 . 15933 1 65 . 1 1 19 19 VAL HG13 H 1 0.940 0.010 . 2 . . . . 19 VAL HG13 . 15933 1 66 . 1 1 19 19 VAL HG21 H 1 1.101 0.008 . 2 . . . . 19 VAL HG21 . 15933 1 67 . 1 1 19 19 VAL HG22 H 1 1.101 0.008 . 2 . . . . 19 VAL HG22 . 15933 1 68 . 1 1 19 19 VAL HG23 H 1 1.101 0.008 . 2 . . . . 19 VAL HG23 . 15933 1 69 . 1 1 19 19 VAL CA C 13 66.598 0.089 . 1 . . . . 19 VAL CA . 15933 1 70 . 1 1 19 19 VAL CB C 13 31.578 0.069 . 1 . . . . 19 VAL CB . 15933 1 71 . 1 1 19 19 VAL CG1 C 13 23.270 0.035 . 1 . . . . 19 VAL CG1 . 15933 1 72 . 1 1 19 19 VAL CG2 C 13 23.234 0.000 . 1 . . . . 19 VAL CG2 . 15933 1 73 . 1 1 19 19 VAL N N 15 122.660 0.121 . 1 . . . . 19 VAL N . 15933 1 74 . 1 1 20 20 ILE H H 1 7.924 0.006 . 1 . . . . 20 ILE H . 15933 1 75 . 1 1 20 20 ILE HA H 1 3.684 0.014 . 1 . . . . 20 ILE HA . 15933 1 76 . 1 1 20 20 ILE HB H 1 1.887 0.009 . 1 . . . . 20 ILE HB . 15933 1 77 . 1 1 20 20 ILE HD11 H 1 0.690 0.009 . 1 . . . . 20 ILE HD11 . 15933 1 78 . 1 1 20 20 ILE HD12 H 1 0.690 0.009 . 1 . . . . 20 ILE HD12 . 15933 1 79 . 1 1 20 20 ILE HD13 H 1 0.690 0.009 . 1 . . . . 20 ILE HD13 . 15933 1 80 . 1 1 20 20 ILE HG12 H 1 1.164 0.012 . 2 . . . . 20 ILE HG12 . 15933 1 81 . 1 1 20 20 ILE HG13 H 1 1.350 0.013 . 2 . . . . 20 ILE HG13 . 15933 1 82 . 1 1 20 20 ILE HG21 H 1 0.856 0.009 . 1 . . . . 20 ILE HG21 . 15933 1 83 . 1 1 20 20 ILE HG22 H 1 0.856 0.009 . 1 . . . . 20 ILE HG22 . 15933 1 84 . 1 1 20 20 ILE HG23 H 1 0.856 0.009 . 1 . . . . 20 ILE HG23 . 15933 1 85 . 1 1 20 20 ILE CA C 13 64.222 0.015 . 1 . . . . 20 ILE CA . 15933 1 86 . 1 1 20 20 ILE CB C 13 36.737 0.046 . 1 . . . . 20 ILE CB . 15933 1 87 . 1 1 20 20 ILE CD1 C 13 12.039 0.052 . 1 . . . . 20 ILE CD1 . 15933 1 88 . 1 1 20 20 ILE CG1 C 13 28.725 0.000 . 1 . . . . 20 ILE CG1 . 15933 1 89 . 1 1 20 20 ILE CG2 C 13 17.924 0.083 . 1 . . . . 20 ILE CG2 . 15933 1 90 . 1 1 20 20 ILE N N 15 118.359 0.093 . 1 . . . . 20 ILE N . 15933 1 91 . 1 1 21 21 GLN H H 1 7.995 0.014 . 1 . . . . 21 GLN H . 15933 1 92 . 1 1 21 21 GLN HA H 1 3.984 0.008 . 1 . . . . 21 GLN HA . 15933 1 93 . 1 1 21 21 GLN HB2 H 1 2.116 0.008 . 2 . . . . 21 GLN HB2 . 15933 1 94 . 1 1 21 21 GLN HB3 H 1 2.215 0.016 . 2 . . . . 21 GLN HB3 . 15933 1 95 . 1 1 21 21 GLN HE21 H 1 6.791 0.012 . 1 . . . . 21 GLN HE21 . 15933 1 96 . 1 1 21 21 GLN HE22 H 1 7.429 0.002 . 1 . . . . 21 GLN HE22 . 15933 1 97 . 1 1 21 21 GLN HG2 H 1 2.425 0.012 . 2 . . . . 21 GLN HG2 . 15933 1 98 . 1 1 21 21 GLN HG3 H 1 2.556 0.011 . 2 . . . . 21 GLN HG3 . 15933 1 99 . 1 1 21 21 GLN C C 13 177.944 0.000 . 1 . . . . 21 GLN C . 15933 1 100 . 1 1 21 21 GLN CA C 13 58.808 0.037 . 1 . . . . 21 GLN CA . 15933 1 101 . 1 1 21 21 GLN CB C 13 28.649 0.002 . 1 . . . . 21 GLN CB . 15933 1 102 . 1 1 21 21 GLN CG C 13 34.460 0.000 . 1 . . . . 21 GLN CG . 15933 1 103 . 1 1 21 21 GLN N N 15 118.160 0.113 . 1 . . . . 21 GLN N . 15933 1 104 . 1 1 21 21 GLN NE2 N 15 110.829 0.119 . 1 . . . . 21 GLN NE2 . 15933 1 105 . 1 1 22 22 ALA H H 1 7.795 0.015 . 1 . . . . 22 ALA H . 15933 1 106 . 1 1 22 22 ALA HA H 1 4.170 0.013 . 1 . . . . 22 ALA HA . 15933 1 107 . 1 1 22 22 ALA HB1 H 1 1.557 0.009 . 1 . . . . 22 ALA HB1 . 15933 1 108 . 1 1 22 22 ALA HB2 H 1 1.557 0.009 . 1 . . . . 22 ALA HB2 . 15933 1 109 . 1 1 22 22 ALA HB3 H 1 1.557 0.009 . 1 . . . . 22 ALA HB3 . 15933 1 110 . 1 1 22 22 ALA CA C 13 54.813 0.036 . 1 . . . . 22 ALA CA . 15933 1 111 . 1 1 22 22 ALA CB C 13 18.630 0.045 . 1 . . . . 22 ALA CB . 15933 1 112 . 1 1 22 22 ALA N N 15 121.258 0.114 . 1 . . . . 22 ALA N . 15933 1 113 . 1 1 23 23 ILE HA H 1 4.497 0.005 . 1 . . . . 23 ILE HA . 15933 1 114 . 1 1 23 23 ILE HB H 1 1.895 0.004 . 1 . . . . 23 ILE HB . 15933 1 115 . 1 1 23 23 ILE HD11 H 1 0.672 0.000 . 1 . . . . 23 ILE HD11 . 15933 1 116 . 1 1 23 23 ILE HD12 H 1 0.672 0.000 . 1 . . . . 23 ILE HD12 . 15933 1 117 . 1 1 23 23 ILE HD13 H 1 0.672 0.000 . 1 . . . . 23 ILE HD13 . 15933 1 118 . 1 1 23 23 ILE HG12 H 1 1.169 0.010 . 2 . . . . 23 ILE HG12 . 15933 1 119 . 1 1 23 23 ILE HG13 H 1 0.878 0.000 . 1 . . . . 23 ILE HG13 . 15933 1 120 . 1 1 23 23 ILE HG21 H 1 0.861 0.000 . 1 . . . . 23 ILE HG21 . 15933 1 121 . 1 1 23 23 ILE HG22 H 1 0.861 0.000 . 1 . . . . 23 ILE HG22 . 15933 1 122 . 1 1 23 23 ILE HG23 H 1 0.861 0.000 . 1 . . . . 23 ILE HG23 . 15933 1 123 . 1 1 23 23 ILE CA C 13 64.530 0.023 . 1 . . . . 23 ILE CA . 15933 1 124 . 1 1 23 23 ILE CG2 C 13 17.633 0.000 . 1 . . . . 23 ILE CG2 . 15933 1 125 . 1 1 25 25 LYS H H 1 8.128 0.001 . 1 . . . . 25 LYS H . 15933 1 126 . 1 1 25 25 LYS HA H 1 4.261 0.007 . 1 . . . . 25 LYS HA . 15933 1 127 . 1 1 25 25 LYS HB2 H 1 1.953 0.000 . 1 . . . . 25 LYS HB2 . 15933 1 128 . 1 1 25 25 LYS HB3 H 1 1.953 0.000 . 1 . . . . 25 LYS HB3 . 15933 1 129 . 1 1 25 25 LYS HD2 H 1 1.721 0.000 . 1 . . . . 25 LYS HD2 . 15933 1 130 . 1 1 25 25 LYS HD3 H 1 1.721 0.000 . 1 . . . . 25 LYS HD3 . 15933 1 131 . 1 1 25 25 LYS HE2 H 1 3.011 0.009 . 1 . . . . 25 LYS HE2 . 15933 1 132 . 1 1 25 25 LYS HE3 H 1 3.017 0.006 . 1 . . . . 25 LYS HE3 . 15933 1 133 . 1 1 25 25 LYS HG2 H 1 1.499 0.000 . 1 . . . . 25 LYS HG2 . 15933 1 134 . 1 1 25 25 LYS N N 15 119.007 0.027 . 1 . . . . 25 LYS N . 15933 1 135 . 1 1 26 26 SER H H 1 7.898 0.016 . 1 . . . . 26 SER H . 15933 1 136 . 1 1 26 26 SER HA H 1 4.445 0.004 . 1 . . . . 26 SER HA . 15933 1 137 . 1 1 26 26 SER HB2 H 1 3.987 0.011 . 1 . . . . 26 SER HB2 . 15933 1 138 . 1 1 26 26 SER HB3 H 1 3.986 0.010 . 1 . . . . 26 SER HB3 . 15933 1 139 . 1 1 26 26 SER C C 13 174.566 0.000 . 1 . . . . 26 SER C . 15933 1 140 . 1 1 26 26 SER CA C 13 59.533 0.053 . 1 . . . . 26 SER CA . 15933 1 141 . 1 1 26 26 SER CB C 13 64.072 0.080 . 1 . . . . 26 SER CB . 15933 1 142 . 1 1 26 26 SER N N 15 115.535 0.084 . 1 . . . . 26 SER N . 15933 1 143 . 1 1 27 27 ASP H H 1 8.332 0.009 . 1 . . . . 27 ASP H . 15933 1 144 . 1 1 27 27 ASP HA H 1 4.680 0.008 . 1 . . . . 27 ASP HA . 15933 1 145 . 1 1 27 27 ASP HB2 H 1 2.794 0.026 . 2 . . . . 27 ASP HB2 . 15933 1 146 . 1 1 27 27 ASP HB3 H 1 2.827 0.007 . 2 . . . . 27 ASP HB3 . 15933 1 147 . 1 1 27 27 ASP C C 13 176.156 0.000 . 1 . . . . 27 ASP C . 15933 1 148 . 1 1 27 27 ASP CA C 13 54.125 0.058 . 1 . . . . 27 ASP CA . 15933 1 149 . 1 1 27 27 ASP CB C 13 40.167 0.039 . 1 . . . . 27 ASP CB . 15933 1 150 . 1 1 27 27 ASP N N 15 120.820 0.088 . 1 . . . . 27 ASP N . 15933 1 151 . 1 1 28 28 GLU H H 1 8.176 0.012 . 1 . . . . 28 GLU H . 15933 1 152 . 1 1 28 28 GLU HA H 1 4.258 0.012 . 1 . . . . 28 GLU HA . 15933 1 153 . 1 1 28 28 GLU HB2 H 1 2.026 0.016 . 2 . . . . 28 GLU HB2 . 15933 1 154 . 1 1 28 28 GLU HB3 H 1 2.142 0.015 . 2 . . . . 28 GLU HB3 . 15933 1 155 . 1 1 28 28 GLU HG2 H 1 2.417 0.012 . 1 . . . . 28 GLU HG2 . 15933 1 156 . 1 1 28 28 GLU HG3 H 1 2.415 0.014 . 1 . . . . 28 GLU HG3 . 15933 1 157 . 1 1 28 28 GLU C C 13 176.622 0.000 . 1 . . . . 28 GLU C . 15933 1 158 . 1 1 28 28 GLU CA C 13 56.868 0.004 . 1 . . . . 28 GLU CA . 15933 1 159 . 1 1 28 28 GLU CB C 13 29.250 0.000 . 1 . . . . 28 GLU CB . 15933 1 160 . 1 1 28 28 GLU CG C 13 34.759 0.000 . 1 . . . . 28 GLU CG . 15933 1 161 . 1 1 28 28 GLU N N 15 119.365 0.140 . 1 . . . . 28 GLU N . 15933 1 162 . 1 1 29 29 GLY H H 1 8.353 0.010 . 1 . . . . 29 GLY H . 15933 1 163 . 1 1 29 29 GLY HA2 H 1 3.896 0.006 . 1 . . . . 29 GLY HA2 . 15933 1 164 . 1 1 29 29 GLY CA C 13 45.583 0.087 . 1 . . . . 29 GLY CA . 15933 1 165 . 1 1 29 29 GLY N N 15 107.963 0.095 . 1 . . . . 29 GLY N . 15933 1 166 . 1 1 30 30 HIS H H 1 8.284 0.006 . 1 . . . . 30 HIS H . 15933 1 167 . 1 1 30 30 HIS HA H 1 5.008 0.011 . 1 . . . . 30 HIS HA . 15933 1 168 . 1 1 30 30 HIS HB2 H 1 3.184 0.006 . 2 . . . . 30 HIS HB2 . 15933 1 169 . 1 1 30 30 HIS HB3 H 1 3.292 0.002 . 2 . . . . 30 HIS HB3 . 15933 1 170 . 1 1 30 30 HIS HD2 H 1 7.361 0.004 . 1 . . . . 30 HIS HD2 . 15933 1 171 . 1 1 30 30 HIS CA C 13 54.938 0.000 . 1 . . . . 30 HIS CA . 15933 1 172 . 1 1 30 30 HIS CB C 13 28.537 0.000 . 1 . . . . 30 HIS CB . 15933 1 173 . 1 1 30 30 HIS N N 15 117.233 0.166 . 1 . . . . 30 HIS N . 15933 1 174 . 1 1 31 31 PRO HA H 1 4.444 0.005 . 1 . . . . 31 PRO HA . 15933 1 175 . 1 1 31 31 PRO HB2 H 1 2.178 0.011 . 1 . . . . 31 PRO HB2 . 15933 1 176 . 1 1 31 31 PRO HB3 H 1 2.178 0.011 . 1 . . . . 31 PRO HB3 . 15933 1 177 . 1 1 31 31 PRO HD2 H 1 3.685 0.005 . 1 . . . . 31 PRO HD2 . 15933 1 178 . 1 1 31 31 PRO HD3 H 1 3.884 0.007 . 2 . . . . 31 PRO HD3 . 15933 1 179 . 1 1 31 31 PRO HG2 H 1 1.028 0.005 . 1 . . . . 31 PRO HG2 . 15933 1 180 . 1 1 31 31 PRO HG3 H 1 1.028 0.005 . 1 . . . . 31 PRO HG3 . 15933 1 181 . 1 1 31 31 PRO CA C 13 64.590 0.097 . 1 . . . . 31 PRO CA . 15933 1 182 . 1 1 31 31 PRO CD C 13 50.456 0.082 . 1 . . . . 31 PRO CD . 15933 1 183 . 1 1 32 32 PHE H H 1 8.662 0.011 . 1 . . . . 32 PHE H . 15933 1 184 . 1 1 32 32 PHE HA H 1 4.579 0.010 . 1 . . . . 32 PHE HA . 15933 1 185 . 1 1 32 32 PHE HB2 H 1 3.202 0.012 . 2 . . . . 32 PHE HB2 . 15933 1 186 . 1 1 32 32 PHE HB3 H 1 3.408 0.014 . 2 . . . . 32 PHE HB3 . 15933 1 187 . 1 1 32 32 PHE HE1 H 1 7.311 0.003 . 3 . . . . 32 PHE HE1 . 15933 1 188 . 1 1 32 32 PHE HE2 H 1 7.311 0.003 . 3 . . . . 32 PHE HE2 . 15933 1 189 . 1 1 32 32 PHE CA C 13 60.251 0.091 . 1 . . . . 32 PHE CA . 15933 1 190 . 1 1 32 32 PHE CB C 13 38.767 0.051 . 1 . . . . 32 PHE CB . 15933 1 191 . 1 1 32 32 PHE N N 15 120.762 0.032 . 1 . . . . 32 PHE N . 15933 1 192 . 1 1 33 33 ARG H H 1 8.547 0.014 . 1 . . . . 33 ARG H . 15933 1 193 . 1 1 33 33 ARG HA H 1 3.876 0.007 . 1 . . . . 33 ARG HA . 15933 1 194 . 1 1 33 33 ARG HB2 H 1 1.995 0.009 . 1 . . . . 33 ARG HB2 . 15933 1 195 . 1 1 33 33 ARG HB3 H 1 1.995 0.008 . 1 . . . . 33 ARG HB3 . 15933 1 196 . 1 1 33 33 ARG HD2 H 1 3.215 0.009 . 1 . . . . 33 ARG HD2 . 15933 1 197 . 1 1 33 33 ARG HD3 H 1 3.221 0.015 . 1 . . . . 33 ARG HD3 . 15933 1 198 . 1 1 33 33 ARG HG2 H 1 1.722 0.024 . 1 . . . . 33 ARG HG2 . 15933 1 199 . 1 1 33 33 ARG HG3 H 1 1.712 0.024 . 1 . . . . 33 ARG HG3 . 15933 1 200 . 1 1 33 33 ARG CA C 13 60.072 0.066 . 1 . . . . 33 ARG CA . 15933 1 201 . 1 1 33 33 ARG CB C 13 30.271 0.071 . 1 . . . . 33 ARG CB . 15933 1 202 . 1 1 33 33 ARG CG C 13 27.719 0.043 . 1 . . . . 33 ARG CG . 15933 1 203 . 1 1 33 33 ARG N N 15 119.746 0.092 . 1 . . . . 33 ARG N . 15933 1 204 . 1 1 34 34 ALA H H 1 8.006 0.021 . 1 . . . . 34 ALA H . 15933 1 205 . 1 1 34 34 ALA HA H 1 4.171 0.010 . 1 . . . . 34 ALA HA . 15933 1 206 . 1 1 34 34 ALA HB1 H 1 1.447 0.012 . 1 . . . . 34 ALA HB1 . 15933 1 207 . 1 1 34 34 ALA HB2 H 1 1.447 0.012 . 1 . . . . 34 ALA HB2 . 15933 1 208 . 1 1 34 34 ALA HB3 H 1 1.447 0.012 . 1 . . . . 34 ALA HB3 . 15933 1 209 . 1 1 34 34 ALA CA C 13 54.897 0.017 . 1 . . . . 34 ALA CA . 15933 1 210 . 1 1 34 34 ALA CB C 13 18.297 0.058 . 1 . . . . 34 ALA CB . 15933 1 211 . 1 1 34 34 ALA N N 15 120.030 0.085 . 1 . . . . 34 ALA N . 15933 1 212 . 1 1 35 35 TYR H H 1 7.847 0.018 . 1 . . . . 35 TYR H . 15933 1 213 . 1 1 35 35 TYR HA H 1 4.338 0.007 . 1 . . . . 35 TYR HA . 15933 1 214 . 1 1 35 35 TYR HB2 H 1 3.108 0.011 . 2 . . . . 35 TYR HB2 . 15933 1 215 . 1 1 35 35 TYR HB3 H 1 3.191 0.007 . 2 . . . . 35 TYR HB3 . 15933 1 216 . 1 1 35 35 TYR HD1 H 1 7.057 0.006 . 3 . . . . 35 TYR HD1 . 15933 1 217 . 1 1 35 35 TYR HD2 H 1 7.057 0.006 . 3 . . . . 35 TYR HD2 . 15933 1 218 . 1 1 35 35 TYR HE1 H 1 6.779 0.004 . 3 . . . . 35 TYR HE1 . 15933 1 219 . 1 1 35 35 TYR HE2 H 1 6.779 0.004 . 3 . . . . 35 TYR HE2 . 15933 1 220 . 1 1 35 35 TYR CA C 13 60.852 0.041 . 1 . . . . 35 TYR CA . 15933 1 221 . 1 1 35 35 TYR CB C 13 38.482 0.011 . 1 . . . . 35 TYR CB . 15933 1 222 . 1 1 35 35 TYR N N 15 118.882 0.121 . 1 . . . . 35 TYR N . 15933 1 223 . 1 1 36 36 LEU H H 1 8.070 0.009 . 1 . . . . 36 LEU H . 15933 1 224 . 1 1 36 36 LEU HA H 1 3.923 0.014 . 1 . . . . 36 LEU HA . 15933 1 225 . 1 1 36 36 LEU HB2 H 1 1.594 0.008 . 2 . . . . 36 LEU HB2 . 15933 1 226 . 1 1 36 36 LEU HB3 H 1 1.790 0.020 . 2 . . . . 36 LEU HB3 . 15933 1 227 . 1 1 36 36 LEU HD11 H 1 0.914 0.015 . 1 . . . . 36 LEU HD11 . 15933 1 228 . 1 1 36 36 LEU HD12 H 1 0.914 0.015 . 1 . . . . 36 LEU HD12 . 15933 1 229 . 1 1 36 36 LEU HD13 H 1 0.914 0.015 . 1 . . . . 36 LEU HD13 . 15933 1 230 . 1 1 36 36 LEU HD21 H 1 0.914 0.015 . 1 . . . . 36 LEU HD21 . 15933 1 231 . 1 1 36 36 LEU HD22 H 1 0.914 0.015 . 1 . . . . 36 LEU HD22 . 15933 1 232 . 1 1 36 36 LEU HD23 H 1 0.914 0.015 . 1 . . . . 36 LEU HD23 . 15933 1 233 . 1 1 36 36 LEU HG H 1 1.598 0.005 . 1 . . . . 36 LEU HG . 15933 1 234 . 1 1 36 36 LEU CA C 13 57.795 0.084 . 1 . . . . 36 LEU CA . 15933 1 235 . 1 1 36 36 LEU CB C 13 42.071 0.129 . 1 . . . . 36 LEU CB . 15933 1 236 . 1 1 36 36 LEU CD1 C 13 25.778 0.087 . 1 . . . . 36 LEU CD1 . 15933 1 237 . 1 1 36 36 LEU CD2 C 13 25.778 0.087 . 1 . . . . 36 LEU CD2 . 15933 1 238 . 1 1 36 36 LEU N N 15 118.851 0.183 . 1 . . . . 36 LEU N . 15933 1 239 . 1 1 37 37 GLU H H 1 8.295 0.008 . 1 . . . . 37 GLU H . 15933 1 240 . 1 1 37 37 GLU HA H 1 4.000 0.010 . 1 . . . . 37 GLU HA . 15933 1 241 . 1 1 37 37 GLU HB2 H 1 2.189 0.015 . 1 . . . . 37 GLU HB2 . 15933 1 242 . 1 1 37 37 GLU HB3 H 1 2.195 0.015 . 1 . . . . 37 GLU HB3 . 15933 1 243 . 1 1 37 37 GLU HG2 H 1 2.430 0.007 . 2 . . . . 37 GLU HG2 . 15933 1 244 . 1 1 37 37 GLU HG3 H 1 2.636 0.010 . 2 . . . . 37 GLU HG3 . 15933 1 245 . 1 1 37 37 GLU C C 13 178.264 0.000 . 1 . . . . 37 GLU C . 15933 1 246 . 1 1 37 37 GLU CA C 13 59.251 0.047 . 1 . . . . 37 GLU CA . 15933 1 247 . 1 1 37 37 GLU CB C 13 28.555 0.070 . 1 . . . . 37 GLU CB . 15933 1 248 . 1 1 37 37 GLU CG C 13 34.800 0.009 . 1 . . . . 37 GLU CG . 15933 1 249 . 1 1 37 37 GLU N N 15 116.387 0.098 . 1 . . . . 37 GLU N . 15933 1 250 . 1 1 38 38 SER H H 1 7.897 0.022 . 1 . . . . 38 SER H . 15933 1 251 . 1 1 38 38 SER HA H 1 4.359 0.016 . 1 . . . . 38 SER HA . 15933 1 252 . 1 1 38 38 SER HB2 H 1 4.015 0.006 . 1 . . . . 38 SER HB2 . 15933 1 253 . 1 1 38 38 SER HB3 H 1 4.013 0.008 . 1 . . . . 38 SER HB3 . 15933 1 254 . 1 1 38 38 SER C C 13 175.764 0.000 . 1 . . . . 38 SER C . 15933 1 255 . 1 1 38 38 SER CA C 13 60.984 0.070 . 1 . . . . 38 SER CA . 15933 1 256 . 1 1 38 38 SER CB C 13 63.327 0.126 . 1 . . . . 38 SER CB . 15933 1 257 . 1 1 38 38 SER N N 15 114.377 0.129 . 1 . . . . 38 SER N . 15933 1 258 . 1 1 39 39 GLU H H 1 7.898 0.010 . 1 . . . . 39 GLU H . 15933 1 259 . 1 1 39 39 GLU HA H 1 4.344 0.012 . 1 . . . . 39 GLU HA . 15933 1 260 . 1 1 39 39 GLU HB2 H 1 2.154 0.016 . 1 . . . . 39 GLU HB2 . 15933 1 261 . 1 1 39 39 GLU HB3 H 1 1.973 0.005 . 1 . . . . 39 GLU HB3 . 15933 1 262 . 1 1 39 39 GLU HG2 H 1 2.150 0.010 . 2 . . . . 39 GLU HG2 . 15933 1 263 . 1 1 39 39 GLU HG3 H 1 2.294 0.003 . 2 . . . . 39 GLU HG3 . 15933 1 264 . 1 1 39 39 GLU CA C 13 57.398 0.087 . 1 . . . . 39 GLU CA . 15933 1 265 . 1 1 39 39 GLU CB C 13 28.536 0.062 . 1 . . . . 39 GLU CB . 15933 1 266 . 1 1 39 39 GLU CG C 13 32.508 0.038 . 1 . . . . 39 GLU CG . 15933 1 267 . 1 1 39 39 GLU N N 15 119.899 0.072 . 1 . . . . 39 GLU N . 15933 1 268 . 1 1 40 40 VAL H H 1 8.083 0.011 . 1 . . . . 40 VAL H . 15933 1 269 . 1 1 40 40 VAL HA H 1 3.787 0.006 . 1 . . . . 40 VAL HA . 15933 1 270 . 1 1 40 40 VAL HB H 1 2.215 0.015 . 1 . . . . 40 VAL HB . 15933 1 271 . 1 1 40 40 VAL HG11 H 1 0.985 0.017 . 2 . . . . 40 VAL HG11 . 15933 1 272 . 1 1 40 40 VAL HG12 H 1 0.985 0.017 . 2 . . . . 40 VAL HG12 . 15933 1 273 . 1 1 40 40 VAL HG13 H 1 0.985 0.017 . 2 . . . . 40 VAL HG13 . 15933 1 274 . 1 1 40 40 VAL HG21 H 1 1.034 0.019 . 2 . . . . 40 VAL HG21 . 15933 1 275 . 1 1 40 40 VAL HG22 H 1 1.034 0.019 . 2 . . . . 40 VAL HG22 . 15933 1 276 . 1 1 40 40 VAL HG23 H 1 1.034 0.019 . 2 . . . . 40 VAL HG23 . 15933 1 277 . 1 1 40 40 VAL CA C 13 65.324 0.055 . 1 . . . . 40 VAL CA . 15933 1 278 . 1 1 40 40 VAL CB C 13 31.993 0.039 . 1 . . . . 40 VAL CB . 15933 1 279 . 1 1 40 40 VAL N N 15 119.498 0.089 . 1 . . . . 40 VAL N . 15933 1 280 . 1 1 41 41 ALA H H 1 8.004 0.011 . 1 . . . . 41 ALA H . 15933 1 281 . 1 1 41 41 ALA HA H 1 4.252 0.012 . 1 . . . . 41 ALA HA . 15933 1 282 . 1 1 41 41 ALA HB1 H 1 1.520 0.007 . 1 . . . . 41 ALA HB1 . 15933 1 283 . 1 1 41 41 ALA HB2 H 1 1.520 0.007 . 1 . . . . 41 ALA HB2 . 15933 1 284 . 1 1 41 41 ALA HB3 H 1 1.520 0.007 . 1 . . . . 41 ALA HB3 . 15933 1 285 . 1 1 41 41 ALA C C 13 179.571 0.000 . 1 . . . . 41 ALA C . 15933 1 286 . 1 1 41 41 ALA CA C 13 54.659 0.065 . 1 . . . . 41 ALA CA . 15933 1 287 . 1 1 41 41 ALA CB C 13 18.415 0.091 . 1 . . . . 41 ALA CB . 15933 1 288 . 1 1 41 41 ALA N N 15 123.210 0.104 . 1 . . . . 41 ALA N . 15933 1 289 . 1 1 42 42 ILE H H 1 7.909 0.008 . 1 . . . . 42 ILE H . 15933 1 290 . 1 1 42 42 ILE HA H 1 4.098 0.010 . 1 . . . . 42 ILE HA . 15933 1 291 . 1 1 42 42 ILE HB H 1 1.972 0.010 . 1 . . . . 42 ILE HB . 15933 1 292 . 1 1 42 42 ILE HD11 H 1 0.908 0.011 . 1 . . . . 42 ILE HD11 . 15933 1 293 . 1 1 42 42 ILE HD12 H 1 0.908 0.011 . 1 . . . . 42 ILE HD12 . 15933 1 294 . 1 1 42 42 ILE HD13 H 1 0.908 0.011 . 1 . . . . 42 ILE HD13 . 15933 1 295 . 1 1 42 42 ILE HG12 H 1 1.301 0.010 . 2 . . . . 42 ILE HG12 . 15933 1 296 . 1 1 42 42 ILE HG13 H 1 1.672 0.007 . 2 . . . . 42 ILE HG13 . 15933 1 297 . 1 1 42 42 ILE HG21 H 1 1.001 0.009 . 1 . . . . 42 ILE HG21 . 15933 1 298 . 1 1 42 42 ILE HG22 H 1 1.001 0.009 . 1 . . . . 42 ILE HG22 . 15933 1 299 . 1 1 42 42 ILE HG23 H 1 1.001 0.009 . 1 . . . . 42 ILE HG23 . 15933 1 300 . 1 1 42 42 ILE CA C 13 62.912 0.041 . 1 . . . . 42 ILE CA . 15933 1 301 . 1 1 42 42 ILE CB C 13 38.517 0.066 . 1 . . . . 42 ILE CB . 15933 1 302 . 1 1 42 42 ILE CD1 C 13 13.790 0.006 . 1 . . . . 42 ILE CD1 . 15933 1 303 . 1 1 42 42 ILE CG1 C 13 28.715 0.074 . 1 . . . . 42 ILE CG1 . 15933 1 304 . 1 1 42 42 ILE CG2 C 13 17.899 0.048 . 1 . . . . 42 ILE CG2 . 15933 1 305 . 1 1 42 42 ILE N N 15 117.558 0.057 . 1 . . . . 42 ILE N . 15933 1 306 . 1 1 43 43 SER H H 1 7.945 0.015 . 1 . . . . 43 SER H . 15933 1 307 . 1 1 43 43 SER HA H 1 4.308 0.011 . 1 . . . . 43 SER HA . 15933 1 308 . 1 1 43 43 SER HB2 H 1 3.900 0.006 . 1 . . . . 43 SER HB2 . 15933 1 309 . 1 1 43 43 SER HB3 H 1 3.909 0.013 . 1 . . . . 43 SER HB3 . 15933 1 310 . 1 1 43 43 SER CA C 13 61.273 0.099 . 1 . . . . 43 SER CA . 15933 1 311 . 1 1 43 43 SER CB C 13 63.699 0.039 . 1 . . . . 43 SER CB . 15933 1 312 . 1 1 43 43 SER N N 15 117.700 0.066 . 1 . . . . 43 SER N . 15933 1 313 . 1 1 44 44 GLU H H 1 8.492 0.011 . 1 . . . . 44 GLU H . 15933 1 314 . 1 1 44 44 GLU HA H 1 3.995 0.006 . 1 . . . . 44 GLU HA . 15933 1 315 . 1 1 44 44 GLU HB2 H 1 2.157 0.012 . 2 . . . . 44 GLU HB2 . 15933 1 316 . 1 1 44 44 GLU HB3 H 1 2.251 0.009 . 2 . . . . 44 GLU HB3 . 15933 1 317 . 1 1 44 44 GLU HG2 H 1 2.423 0.007 . 2 . . . . 44 GLU HG2 . 15933 1 318 . 1 1 44 44 GLU HG3 H 1 2.631 0.008 . 2 . . . . 44 GLU HG3 . 15933 1 319 . 1 1 44 44 GLU C C 13 175.544 0.000 . 1 . . . . 44 GLU C . 15933 1 320 . 1 1 44 44 GLU CA C 13 59.498 0.000 . 1 . . . . 44 GLU CA . 15933 1 321 . 1 1 44 44 GLU CB C 13 28.275 0.069 . 1 . . . . 44 GLU CB . 15933 1 322 . 1 1 44 44 GLU CG C 13 34.110 0.000 . 1 . . . . 44 GLU CG . 15933 1 323 . 1 1 44 44 GLU N N 15 121.129 0.058 . 1 . . . . 44 GLU N . 15933 1 324 . 1 1 45 45 GLU CB C 13 28.502 0.000 . 1 . . . . 45 GLU CB . 15933 1 325 . 1 1 46 46 LEU H H 1 7.993 0.000 . 1 . . . . 46 LEU H . 15933 1 326 . 1 1 46 46 LEU HD11 H 1 0.932 0.000 . 1 . . . . 46 LEU HD11 . 15933 1 327 . 1 1 46 46 LEU HD12 H 1 0.932 0.000 . 1 . . . . 46 LEU HD12 . 15933 1 328 . 1 1 46 46 LEU HD13 H 1 0.932 0.000 . 1 . . . . 46 LEU HD13 . 15933 1 329 . 1 1 46 46 LEU HD21 H 1 0.932 0.000 . 1 . . . . 46 LEU HD21 . 15933 1 330 . 1 1 46 46 LEU HD22 H 1 0.932 0.000 . 1 . . . . 46 LEU HD22 . 15933 1 331 . 1 1 46 46 LEU HD23 H 1 0.932 0.000 . 1 . . . . 46 LEU HD23 . 15933 1 332 . 1 1 46 46 LEU CA C 13 58.018 0.000 . 1 . . . . 46 LEU CA . 15933 1 333 . 1 1 46 46 LEU CB C 13 42.322 0.000 . 1 . . . . 46 LEU CB . 15933 1 334 . 1 1 46 46 LEU N N 15 119.940 0.000 . 1 . . . . 46 LEU N . 15933 1 335 . 1 1 47 47 VAL H H 1 8.022 0.008 . 1 . . . . 47 VAL H . 15933 1 336 . 1 1 47 47 VAL HA H 1 3.696 0.014 . 1 . . . . 47 VAL HA . 15933 1 337 . 1 1 47 47 VAL HB H 1 2.279 0.009 . 1 . . . . 47 VAL HB . 15933 1 338 . 1 1 47 47 VAL HG11 H 1 1.016 0.005 . 2 . . . . 47 VAL HG11 . 15933 1 339 . 1 1 47 47 VAL HG12 H 1 1.016 0.005 . 2 . . . . 47 VAL HG12 . 15933 1 340 . 1 1 47 47 VAL HG13 H 1 1.016 0.005 . 2 . . . . 47 VAL HG13 . 15933 1 341 . 1 1 47 47 VAL HG21 H 1 1.110 0.010 . 2 . . . . 47 VAL HG21 . 15933 1 342 . 1 1 47 47 VAL HG22 H 1 1.110 0.010 . 2 . . . . 47 VAL HG22 . 15933 1 343 . 1 1 47 47 VAL HG23 H 1 1.110 0.010 . 2 . . . . 47 VAL HG23 . 15933 1 344 . 1 1 47 47 VAL CA C 13 66.637 0.048 . 1 . . . . 47 VAL CA . 15933 1 345 . 1 1 47 47 VAL CB C 13 31.705 0.042 . 1 . . . . 47 VAL CB . 15933 1 346 . 1 1 47 47 VAL CG1 C 13 21.741 0.104 . 1 . . . . 47 VAL CG1 . 15933 1 347 . 1 1 47 47 VAL N N 15 117.418 0.057 . 1 . . . . 47 VAL N . 15933 1 348 . 1 1 48 48 GLN H H 1 8.072 0.010 . 1 . . . . 48 GLN H . 15933 1 349 . 1 1 48 48 GLN HA H 1 4.167 0.013 . 1 . . . . 48 GLN HA . 15933 1 350 . 1 1 48 48 GLN HB2 H 1 2.175 0.007 . 2 . . . . 48 GLN HB2 . 15933 1 351 . 1 1 48 48 GLN HB3 H 1 2.263 0.020 . 2 . . . . 48 GLN HB3 . 15933 1 352 . 1 1 48 48 GLN HG2 H 1 2.456 0.021 . 2 . . . . 48 GLN HG2 . 15933 1 353 . 1 1 48 48 GLN HG3 H 1 2.566 0.005 . 2 . . . . 48 GLN HG3 . 15933 1 354 . 1 1 48 48 GLN CA C 13 59.076 0.079 . 1 . . . . 48 GLN CA . 15933 1 355 . 1 1 48 48 GLN CB C 13 28.663 0.029 . 1 . . . . 48 GLN CB . 15933 1 356 . 1 1 48 48 GLN CG C 13 33.823 0.031 . 1 . . . . 48 GLN CG . 15933 1 357 . 1 1 48 48 GLN N N 15 118.632 0.094 . 1 . . . . 48 GLN N . 15933 1 358 . 1 1 49 49 LYS H H 1 7.928 0.012 . 1 . . . . 49 LYS H . 15933 1 359 . 1 1 49 49 LYS HA H 1 4.085 0.024 . 1 . . . . 49 LYS HA . 15933 1 360 . 1 1 49 49 LYS HD2 H 1 1.494 0.000 . 1 . . . . 49 LYS HD2 . 15933 1 361 . 1 1 49 49 LYS HD3 H 1 1.497 0.003 . 1 . . . . 49 LYS HD3 . 15933 1 362 . 1 1 49 49 LYS HE2 H 1 2.904 0.003 . 1 . . . . 49 LYS HE2 . 15933 1 363 . 1 1 49 49 LYS HE3 H 1 2.912 0.013 . 1 . . . . 49 LYS HE3 . 15933 1 364 . 1 1 49 49 LYS HG2 H 1 1.033 0.014 . 2 . . . . 49 LYS HG2 . 15933 1 365 . 1 1 49 49 LYS HG3 H 1 1.334 0.015 . 2 . . . . 49 LYS HG3 . 15933 1 366 . 1 1 49 49 LYS C C 13 178.485 0.000 . 1 . . . . 49 LYS C . 15933 1 367 . 1 1 49 49 LYS CA C 13 58.885 0.056 . 1 . . . . 49 LYS CA . 15933 1 368 . 1 1 49 49 LYS CB C 13 32.875 0.063 . 1 . . . . 49 LYS CB . 15933 1 369 . 1 1 49 49 LYS CE C 13 41.824 0.069 . 1 . . . . 49 LYS CE . 15933 1 370 . 1 1 49 49 LYS CG C 13 25.049 0.103 . 1 . . . . 49 LYS CG . 15933 1 371 . 1 1 49 49 LYS N N 15 118.459 0.090 . 1 . . . . 49 LYS N . 15933 1 372 . 1 1 50 50 TYR H H 1 7.986 0.015 . 1 . . . . 50 TYR H . 15933 1 373 . 1 1 50 50 TYR HA H 1 4.671 0.008 . 1 . . . . 50 TYR HA . 15933 1 374 . 1 1 50 50 TYR HB2 H 1 2.889 0.008 . 2 . . . . 50 TYR HB2 . 15933 1 375 . 1 1 50 50 TYR HB3 H 1 3.283 0.006 . 2 . . . . 50 TYR HB3 . 15933 1 376 . 1 1 50 50 TYR HD1 H 1 7.227 0.009 . 3 . . . . 50 TYR HD1 . 15933 1 377 . 1 1 50 50 TYR HD2 H 1 7.227 0.009 . 3 . . . . 50 TYR HD2 . 15933 1 378 . 1 1 50 50 TYR HE1 H 1 6.832 0.005 . 3 . . . . 50 TYR HE1 . 15933 1 379 . 1 1 50 50 TYR HE2 H 1 6.832 0.005 . 3 . . . . 50 TYR HE2 . 15933 1 380 . 1 1 50 50 TYR C C 13 176.920 0.000 . 1 . . . . 50 TYR C . 15933 1 381 . 1 1 50 50 TYR CA C 13 59.687 0.043 . 1 . . . . 50 TYR CA . 15933 1 382 . 1 1 50 50 TYR CB C 13 39.248 0.079 . 1 . . . . 50 TYR CB . 15933 1 383 . 1 1 50 50 TYR N N 15 116.315 0.145 . 1 . . . . 50 TYR N . 15933 1 384 . 1 1 51 51 SER H H 1 8.147 0.011 . 1 . . . . 51 SER H . 15933 1 385 . 1 1 51 51 SER HA H 1 4.191 0.008 . 1 . . . . 51 SER HA . 15933 1 386 . 1 1 51 51 SER HB2 H 1 4.022 0.012 . 1 . . . . 51 SER HB2 . 15933 1 387 . 1 1 51 51 SER C C 13 175.237 0.000 . 1 . . . . 51 SER C . 15933 1 388 . 1 1 51 51 SER CA C 13 61.734 0.047 . 1 . . . . 51 SER CA . 15933 1 389 . 1 1 51 51 SER CB C 13 63.211 0.051 . 1 . . . . 51 SER CB . 15933 1 390 . 1 1 51 51 SER N N 15 115.863 0.181 . 1 . . . . 51 SER N . 15933 1 391 . 1 1 52 52 ASN H H 1 8.327 0.009 . 1 . . . . 52 ASN H . 15933 1 392 . 1 1 52 52 ASN HA H 1 4.682 0.008 . 1 . . . . 52 ASN HA . 15933 1 393 . 1 1 52 52 ASN HB2 H 1 2.912 0.004 . 1 . . . . 52 ASN HB2 . 15933 1 394 . 1 1 52 52 ASN HB3 H 1 2.905 0.008 . 1 . . . . 52 ASN HB3 . 15933 1 395 . 1 1 52 52 ASN HD21 H 1 6.948 0.002 . 1 . . . . 52 ASN HD21 . 15933 1 396 . 1 1 52 52 ASN HD22 H 1 7.661 0.003 . 1 . . . . 52 ASN HD22 . 15933 1 397 . 1 1 52 52 ASN C C 13 177.021 0.000 . 1 . . . . 52 ASN C . 15933 1 398 . 1 1 52 52 ASN CA C 13 55.492 0.000 . 1 . . . . 52 ASN CA . 15933 1 399 . 1 1 52 52 ASN CB C 13 38.791 0.032 . 1 . . . . 52 ASN CB . 15933 1 400 . 1 1 52 52 ASN N N 15 119.372 0.129 . 1 . . . . 52 ASN N . 15933 1 401 . 1 1 52 52 ASN ND2 N 15 112.565 0.175 . 1 . . . . 52 ASN ND2 . 15933 1 402 . 1 1 53 53 SER H H 1 8.118 0.017 . 1 . . . . 53 SER H . 15933 1 403 . 1 1 53 53 SER HA H 1 4.488 0.013 . 1 . . . . 53 SER HA . 15933 1 404 . 1 1 53 53 SER HB2 H 1 4.054 0.012 . 1 . . . . 53 SER HB2 . 15933 1 405 . 1 1 53 53 SER C C 13 175.904 0.000 . 1 . . . . 53 SER C . 15933 1 406 . 1 1 53 53 SER CA C 13 60.158 0.008 . 1 . . . . 53 SER CA . 15933 1 407 . 1 1 53 53 SER CB C 13 63.715 0.082 . 1 . . . . 53 SER CB . 15933 1 408 . 1 1 53 53 SER N N 15 115.300 0.092 . 1 . . . . 53 SER N . 15933 1 409 . 1 1 54 54 ALA H H 1 8.391 0.010 . 1 . . . . 54 ALA H . 15933 1 410 . 1 1 54 54 ALA HA H 1 4.252 0.010 . 1 . . . . 54 ALA HA . 15933 1 411 . 1 1 54 54 ALA HB1 H 1 1.514 0.007 . 1 . . . . 54 ALA HB1 . 15933 1 412 . 1 1 54 54 ALA HB2 H 1 1.514 0.007 . 1 . . . . 54 ALA HB2 . 15933 1 413 . 1 1 54 54 ALA HB3 H 1 1.514 0.007 . 1 . . . . 54 ALA HB3 . 15933 1 414 . 1 1 54 54 ALA C C 13 178.735 0.000 . 1 . . . . 54 ALA C . 15933 1 415 . 1 1 54 54 ALA CA C 13 54.777 0.045 . 1 . . . . 54 ALA CA . 15933 1 416 . 1 1 54 54 ALA CB C 13 19.188 0.091 . 1 . . . . 54 ALA CB . 15933 1 417 . 1 1 54 54 ALA N N 15 124.269 0.056 . 1 . . . . 54 ALA N . 15933 1 418 . 1 1 55 55 LEU H H 1 8.228 0.009 . 1 . . . . 55 LEU H . 15933 1 419 . 1 1 55 55 LEU HA H 1 4.162 0.007 . 1 . . . . 55 LEU HA . 15933 1 420 . 1 1 55 55 LEU HB2 H 1 1.698 0.008 . 2 . . . . 55 LEU HB2 . 15933 1 421 . 1 1 55 55 LEU HB3 H 1 1.843 0.006 . 2 . . . . 55 LEU HB3 . 15933 1 422 . 1 1 55 55 LEU HD11 H 1 0.916 0.009 . 2 . . . . 55 LEU HD11 . 15933 1 423 . 1 1 55 55 LEU HD12 H 1 0.916 0.009 . 2 . . . . 55 LEU HD12 . 15933 1 424 . 1 1 55 55 LEU HD13 H 1 1.014 0.000 . 1 . . . . 55 LEU HD13 . 15933 1 425 . 1 1 55 55 LEU HD21 H 1 1.014 0.000 . 1 . . . . 55 LEU HD21 . 15933 1 426 . 1 1 55 55 LEU HD22 H 1 0.988 0.018 . 2 . . . . 55 LEU HD22 . 15933 1 427 . 1 1 55 55 LEU HD23 H 1 1.014 0.000 . 1 . . . . 55 LEU HD23 . 15933 1 428 . 1 1 55 55 LEU C C 13 178.616 0.000 . 1 . . . . 55 LEU C . 15933 1 429 . 1 1 55 55 LEU CA C 13 57.263 0.096 . 1 . . . . 55 LEU CA . 15933 1 430 . 1 1 55 55 LEU CB C 13 41.624 0.054 . 1 . . . . 55 LEU CB . 15933 1 431 . 1 1 55 55 LEU CD1 C 13 24.725 0.000 . 2 . . . . 55 LEU CD1 . 15933 1 432 . 1 1 55 55 LEU CD2 C 13 25.345 0.000 . 2 . . . . 55 LEU CD2 . 15933 1 433 . 1 1 55 55 LEU N N 15 117.462 0.101 . 1 . . . . 55 LEU N . 15933 1 434 . 1 1 56 56 GLY H H 1 8.185 0.019 . 1 . . . . 56 GLY H . 15933 1 435 . 1 1 56 56 GLY HA2 H 1 3.971 0.007 . 1 . . . . 56 GLY HA2 . 15933 1 436 . 1 1 56 56 GLY C C 13 175.580 0.000 . 1 . . . . 56 GLY C . 15933 1 437 . 1 1 56 56 GLY CA C 13 46.634 0.042 . 1 . . . . 56 GLY CA . 15933 1 438 . 1 1 56 56 GLY N N 15 106.693 0.077 . 1 . . . . 56 GLY N . 15933 1 439 . 1 1 57 57 HIS H H 1 8.109 0.011 . 1 . . . . 57 HIS H . 15933 1 440 . 1 1 57 57 HIS HA H 1 4.842 0.013 . 1 . . . . 57 HIS HA . 15933 1 441 . 1 1 57 57 HIS HB2 H 1 3.297 0.008 . 2 . . . . 57 HIS HB2 . 15933 1 442 . 1 1 57 57 HIS HB3 H 1 3.398 0.015 . 2 . . . . 57 HIS HB3 . 15933 1 443 . 1 1 57 57 HIS HD2 H 1 7.448 0.007 . 1 . . . . 57 HIS HD2 . 15933 1 444 . 1 1 57 57 HIS C C 13 176.455 0.000 . 1 . . . . 57 HIS C . 15933 1 445 . 1 1 57 57 HIS CA C 13 56.669 0.076 . 1 . . . . 57 HIS CA . 15933 1 446 . 1 1 57 57 HIS CB C 13 28.996 0.044 . 1 . . . . 57 HIS CB . 15933 1 447 . 1 1 57 57 HIS N N 15 117.616 0.086 . 1 . . . . 57 HIS N . 15933 1 448 . 1 1 58 58 VAL H H 1 8.221 0.013 . 1 . . . . 58 VAL H . 15933 1 449 . 1 1 58 58 VAL HA H 1 3.891 0.011 . 1 . . . . 58 VAL HA . 15933 1 450 . 1 1 58 58 VAL HB H 1 2.344 0.008 . 1 . . . . 58 VAL HB . 15933 1 451 . 1 1 58 58 VAL HG11 H 1 1.030 0.015 . 2 . . . . 58 VAL HG11 . 15933 1 452 . 1 1 58 58 VAL HG12 H 1 1.030 0.015 . 2 . . . . 58 VAL HG12 . 15933 1 453 . 1 1 58 58 VAL HG13 H 1 1.030 0.015 . 2 . . . . 58 VAL HG13 . 15933 1 454 . 1 1 58 58 VAL HG21 H 1 1.124 0.010 . 2 . . . . 58 VAL HG21 . 15933 1 455 . 1 1 58 58 VAL HG22 H 1 1.124 0.010 . 2 . . . . 58 VAL HG22 . 15933 1 456 . 1 1 58 58 VAL HG23 H 1 1.124 0.010 . 2 . . . . 58 VAL HG23 . 15933 1 457 . 1 1 58 58 VAL C C 13 176.629 0.000 . 1 . . . . 58 VAL C . 15933 1 458 . 1 1 58 58 VAL CA C 13 65.893 0.079 . 1 . . . . 58 VAL CA . 15933 1 459 . 1 1 58 58 VAL CB C 13 31.960 0.061 . 1 . . . . 58 VAL CB . 15933 1 460 . 1 1 58 58 VAL CG1 C 13 21.812 0.006 . 2 . . . . 58 VAL CG1 . 15933 1 461 . 1 1 58 58 VAL CG2 C 13 22.677 0.079 . 2 . . . . 58 VAL CG2 . 15933 1 462 . 1 1 58 58 VAL N N 15 121.032 0.115 . 1 . . . . 58 VAL N . 15933 1 463 . 1 1 59 59 ASN H H 1 8.552 0.015 . 1 . . . . 59 ASN H . 15933 1 464 . 1 1 59 59 ASN HA H 1 4.516 0.010 . 1 . . . . 59 ASN HA . 15933 1 465 . 1 1 59 59 ASN HB2 H 1 2.871 0.015 . 2 . . . . 59 ASN HB2 . 15933 1 466 . 1 1 59 59 ASN HB3 H 1 2.938 0.013 . 2 . . . . 59 ASN HB3 . 15933 1 467 . 1 1 59 59 ASN HD21 H 1 6.865 0.002 . 1 . . . . 59 ASN HD21 . 15933 1 468 . 1 1 59 59 ASN HD22 H 1 7.629 0.006 . 1 . . . . 59 ASN HD22 . 15933 1 469 . 1 1 59 59 ASN C C 13 177.593 0.000 . 1 . . . . 59 ASN C . 15933 1 470 . 1 1 59 59 ASN CA C 13 56.450 0.078 . 1 . . . . 59 ASN CA . 15933 1 471 . 1 1 59 59 ASN CB C 13 38.585 0.059 . 1 . . . . 59 ASN CB . 15933 1 472 . 1 1 59 59 ASN N N 15 119.755 0.134 . 1 . . . . 59 ASN N . 15933 1 473 . 1 1 59 59 ASN ND2 N 15 111.580 0.056 . 1 . . . . 59 ASN ND2 . 15933 1 474 . 1 1 60 60 SER H H 1 8.378 0.010 . 1 . . . . 60 SER H . 15933 1 475 . 1 1 60 60 SER HA H 1 4.274 0.018 . 1 . . . . 60 SER HA . 15933 1 476 . 1 1 60 60 SER HB2 H 1 4.040 0.010 . 1 . . . . 60 SER HB2 . 15933 1 477 . 1 1 60 60 SER HB3 H 1 4.042 0.010 . 1 . . . . 60 SER HB3 . 15933 1 478 . 1 1 60 60 SER C C 13 177.510 0.000 . 1 . . . . 60 SER C . 15933 1 479 . 1 1 60 60 SER CA C 13 61.310 0.098 . 1 . . . . 60 SER CA . 15933 1 480 . 1 1 60 60 SER CB C 13 62.767 0.006 . 1 . . . . 60 SER CB . 15933 1 481 . 1 1 60 60 SER N N 15 114.999 0.109 . 1 . . . . 60 SER N . 15933 1 482 . 1 1 61 61 THR H H 1 7.994 0.011 . 1 . . . . 61 THR H . 15933 1 483 . 1 1 61 61 THR HA H 1 4.056 0.010 . 1 . . . . 61 THR HA . 15933 1 484 . 1 1 61 61 THR HB H 1 4.338 0.014 . 1 . . . . 61 THR HB . 15933 1 485 . 1 1 61 61 THR C C 13 176.080 0.000 . 1 . . . . 61 THR C . 15933 1 486 . 1 1 61 61 THR CA C 13 67.152 0.114 . 1 . . . . 61 THR CA . 15933 1 487 . 1 1 61 61 THR CB C 13 68.310 0.051 . 1 . . . . 61 THR CB . 15933 1 488 . 1 1 61 61 THR N N 15 120.110 0.103 . 1 . . . . 61 THR N . 15933 1 489 . 1 1 62 62 ILE H H 1 8.361 0.016 . 1 . . . . 62 ILE H . 15933 1 490 . 1 1 62 62 ILE HA H 1 3.712 0.011 . 1 . . . . 62 ILE HA . 15933 1 491 . 1 1 62 62 ILE HB H 1 2.101 0.012 . 1 . . . . 62 ILE HB . 15933 1 492 . 1 1 62 62 ILE HD11 H 1 0.911 0.010 . 1 . . . . 62 ILE HD11 . 15933 1 493 . 1 1 62 62 ILE HD12 H 1 0.911 0.010 . 1 . . . . 62 ILE HD12 . 15933 1 494 . 1 1 62 62 ILE HD13 H 1 0.911 0.010 . 1 . . . . 62 ILE HD13 . 15933 1 495 . 1 1 62 62 ILE HG12 H 1 1.264 0.015 . 2 . . . . 62 ILE HG12 . 15933 1 496 . 1 1 62 62 ILE HG13 H 1 1.774 0.017 . 2 . . . . 62 ILE HG13 . 15933 1 497 . 1 1 62 62 ILE HG21 H 1 0.960 0.020 . 1 . . . . 62 ILE HG21 . 15933 1 498 . 1 1 62 62 ILE HG22 H 1 0.960 0.020 . 1 . . . . 62 ILE HG22 . 15933 1 499 . 1 1 62 62 ILE HG23 H 1 0.960 0.020 . 1 . . . . 62 ILE HG23 . 15933 1 500 . 1 1 62 62 ILE C C 13 177.364 0.000 . 1 . . . . 62 ILE C . 15933 1 501 . 1 1 62 62 ILE CA C 13 65.283 0.068 . 1 . . . . 62 ILE CA . 15933 1 502 . 1 1 62 62 ILE CB C 13 37.272 0.048 . 1 . . . . 62 ILE CB . 15933 1 503 . 1 1 62 62 ILE CD1 C 13 13.290 0.096 . 1 . . . . 62 ILE CD1 . 15933 1 504 . 1 1 62 62 ILE CG1 C 13 29.218 0.026 . 1 . . . . 62 ILE CG1 . 15933 1 505 . 1 1 62 62 ILE CG2 C 13 17.880 0.097 . 1 . . . . 62 ILE CG2 . 15933 1 506 . 1 1 62 62 ILE N N 15 121.306 0.083 . 1 . . . . 62 ILE N . 15933 1 507 . 1 1 63 63 LYS H H 1 7.877 0.010 . 1 . . . . 63 LYS H . 15933 1 508 . 1 1 63 63 LYS HA H 1 3.982 0.006 . 1 . . . . 63 LYS HA . 15933 1 509 . 1 1 63 63 LYS HB2 H 1 1.989 0.010 . 1 . . . . 63 LYS HB2 . 15933 1 510 . 1 1 63 63 LYS HB3 H 1 2.243 0.015 . 2 . . . . 63 LYS HB3 . 15933 1 511 . 1 1 63 63 LYS HG2 H 1 1.476 0.012 . 2 . . . . 63 LYS HG2 . 15933 1 512 . 1 1 63 63 LYS HG3 H 1 1.676 0.007 . 2 . . . . 63 LYS HG3 . 15933 1 513 . 1 1 63 63 LYS C C 13 179.267 0.000 . 1 . . . . 63 LYS C . 15933 1 514 . 1 1 63 63 LYS CA C 13 60.213 0.042 . 1 . . . . 63 LYS CA . 15933 1 515 . 1 1 63 63 LYS CB C 13 32.485 0.131 . 1 . . . . 63 LYS CB . 15933 1 516 . 1 1 63 63 LYS CG C 13 25.671 0.052 . 1 . . . . 63 LYS CG . 15933 1 517 . 1 1 63 63 LYS N N 15 118.875 0.076 . 1 . . . . 63 LYS N . 15933 1 518 . 1 1 64 64 GLU H H 1 7.790 0.010 . 1 . . . . 64 GLU H . 15933 1 519 . 1 1 64 64 GLU HA H 1 4.297 0.016 . 1 . . . . 64 GLU HA . 15933 1 520 . 1 1 64 64 GLU HB2 H 1 2.215 0.015 . 2 . . . . 64 GLU HB2 . 15933 1 521 . 1 1 64 64 GLU HB3 H 1 2.315 0.011 . 2 . . . . 64 GLU HB3 . 15933 1 522 . 1 1 64 64 GLU HG2 H 1 2.534 0.016 . 1 . . . . 64 GLU HG2 . 15933 1 523 . 1 1 64 64 GLU HG3 H 1 2.505 0.025 . 1 . . . . 64 GLU HG3 . 15933 1 524 . 1 1 64 64 GLU CA C 13 58.339 0.061 . 1 . . . . 64 GLU CA . 15933 1 525 . 1 1 64 64 GLU CB C 13 28.471 0.057 . 1 . . . . 64 GLU CB . 15933 1 526 . 1 1 64 64 GLU CG C 13 33.583 0.070 . 1 . . . . 64 GLU CG . 15933 1 527 . 1 1 64 64 GLU N N 15 118.587 0.052 . 1 . . . . 64 GLU N . 15933 1 528 . 1 1 65 65 LEU H H 1 8.334 0.016 . 1 . . . . 65 LEU H . 15933 1 529 . 1 1 65 65 LEU HA H 1 4.105 0.008 . 1 . . . . 65 LEU HA . 15933 1 530 . 1 1 65 65 LEU HB2 H 1 1.540 0.009 . 2 . . . . 65 LEU HB2 . 15933 1 531 . 1 1 65 65 LEU HB3 H 1 2.005 0.014 . 2 . . . . 65 LEU HB3 . 15933 1 532 . 1 1 65 65 LEU HD11 H 1 0.923 0.008 . 1 . . . . 65 LEU HD11 . 15933 1 533 . 1 1 65 65 LEU HD12 H 1 0.923 0.008 . 1 . . . . 65 LEU HD12 . 15933 1 534 . 1 1 65 65 LEU HD13 H 1 0.923 0.008 . 1 . . . . 65 LEU HD13 . 15933 1 535 . 1 1 65 65 LEU CA C 13 58.005 0.072 . 1 . . . . 65 LEU CA . 15933 1 536 . 1 1 65 65 LEU CB C 13 41.922 0.073 . 1 . . . . 65 LEU CB . 15933 1 537 . 1 1 65 65 LEU CD1 C 13 23.464 0.065 . 1 . . . . 65 LEU CD1 . 15933 1 538 . 1 1 65 65 LEU CD2 C 13 23.405 0.000 . 1 . . . . 65 LEU CD2 . 15933 1 539 . 1 1 65 65 LEU N N 15 119.503 0.169 . 1 . . . . 65 LEU N . 15933 1 540 . 1 1 66 66 ARG H H 1 8.286 0.008 . 1 . . . . 66 ARG H . 15933 1 541 . 1 1 66 66 ARG HA H 1 3.975 0.009 . 1 . . . . 66 ARG HA . 15933 1 542 . 1 1 66 66 ARG HD2 H 1 3.219 0.006 . 1 . . . . 66 ARG HD2 . 15933 1 543 . 1 1 66 66 ARG HD3 H 1 3.228 0.015 . 1 . . . . 66 ARG HD3 . 15933 1 544 . 1 1 66 66 ARG HG2 H 1 1.684 0.014 . 2 . . . . 66 ARG HG2 . 15933 1 545 . 1 1 66 66 ARG HG3 H 1 1.846 0.002 . 2 . . . . 66 ARG HG3 . 15933 1 546 . 1 1 66 66 ARG CA C 13 59.640 0.000 . 1 . . . . 66 ARG CA . 15933 1 547 . 1 1 66 66 ARG CB C 13 30.323 0.000 . 1 . . . . 66 ARG CB . 15933 1 548 . 1 1 66 66 ARG CG C 13 28.321 0.000 . 1 . . . . 66 ARG CG . 15933 1 549 . 1 1 66 66 ARG N N 15 117.108 0.107 . 1 . . . . 66 ARG N . 15933 1 550 . 1 1 67 67 ARG H H 1 7.636 0.014 . 1 . . . . 67 ARG H . 15933 1 551 . 1 1 67 67 ARG HA H 1 4.159 0.009 . 1 . . . . 67 ARG HA . 15933 1 552 . 1 1 67 67 ARG HB2 H 1 1.997 0.013 . 1 . . . . 67 ARG HB2 . 15933 1 553 . 1 1 67 67 ARG HB3 H 1 2.001 0.015 . 1 . . . . 67 ARG HB3 . 15933 1 554 . 1 1 67 67 ARG HD2 H 1 3.258 0.014 . 1 . . . . 67 ARG HD2 . 15933 1 555 . 1 1 67 67 ARG HD3 H 1 3.255 0.013 . 1 . . . . 67 ARG HD3 . 15933 1 556 . 1 1 67 67 ARG HG2 H 1 1.683 0.016 . 2 . . . . 67 ARG HG2 . 15933 1 557 . 1 1 67 67 ARG HG3 H 1 1.816 0.008 . 2 . . . . 67 ARG HG3 . 15933 1 558 . 1 1 67 67 ARG CA C 13 58.730 0.009 . 1 . . . . 67 ARG CA . 15933 1 559 . 1 1 67 67 ARG CB C 13 30.094 0.106 . 1 . . . . 67 ARG CB . 15933 1 560 . 1 1 67 67 ARG CD C 13 43.193 0.000 . 1 . . . . 67 ARG CD . 15933 1 561 . 1 1 67 67 ARG CG C 13 27.678 0.065 . 1 . . . . 67 ARG CG . 15933 1 562 . 1 1 67 67 ARG N N 15 117.744 0.074 . 1 . . . . 67 ARG N . 15933 1 563 . 1 1 68 68 LEU H H 1 7.966 0.008 . 1 . . . . 68 LEU H . 15933 1 564 . 1 1 68 68 LEU HA H 1 4.129 0.008 . 1 . . . . 68 LEU HA . 15933 1 565 . 1 1 68 68 LEU HB2 H 1 1.436 0.015 . 2 . . . . 68 LEU HB2 . 15933 1 566 . 1 1 68 68 LEU HB3 H 1 1.787 0.009 . 2 . . . . 68 LEU HB3 . 15933 1 567 . 1 1 68 68 LEU HD11 H 1 0.919 0.014 . 1 . . . . 68 LEU HD11 . 15933 1 568 . 1 1 68 68 LEU HD12 H 1 0.919 0.014 . 1 . . . . 68 LEU HD12 . 15933 1 569 . 1 1 68 68 LEU HD13 H 1 0.847 0.014 . 2 . . . . 68 LEU HD13 . 15933 1 570 . 1 1 68 68 LEU HD21 H 1 0.915 0.012 . 1 . . . . 68 LEU HD21 . 15933 1 571 . 1 1 68 68 LEU HD22 H 1 0.900 0.012 . 2 . . . . 68 LEU HD22 . 15933 1 572 . 1 1 68 68 LEU HD23 H 1 0.900 0.012 . 2 . . . . 68 LEU HD23 . 15933 1 573 . 1 1 68 68 LEU CA C 13 57.115 0.088 . 1 . . . . 68 LEU CA . 15933 1 574 . 1 1 68 68 LEU CB C 13 42.537 0.097 . 1 . . . . 68 LEU CB . 15933 1 575 . 1 1 68 68 LEU CD1 C 13 23.841 0.106 . 2 . . . . 68 LEU CD1 . 15933 1 576 . 1 1 68 68 LEU CD2 C 13 25.769 0.000 . 2 . . . . 68 LEU CD2 . 15933 1 577 . 1 1 68 68 LEU N N 15 118.954 0.122 . 1 . . . . 68 LEU N . 15933 1 578 . 1 1 69 69 PHE H H 1 8.030 0.011 . 1 . . . . 69 PHE H . 15933 1 579 . 1 1 69 69 PHE HA H 1 4.470 0.007 . 1 . . . . 69 PHE HA . 15933 1 580 . 1 1 69 69 PHE HB2 H 1 3.102 0.013 . 2 . . . . 69 PHE HB2 . 15933 1 581 . 1 1 69 69 PHE HB3 H 1 3.293 0.013 . 2 . . . . 69 PHE HB3 . 15933 1 582 . 1 1 69 69 PHE HD1 H 1 7.169 0.002 . 3 . . . . 69 PHE HD1 . 15933 1 583 . 1 1 69 69 PHE HD2 H 1 7.169 0.002 . 3 . . . . 69 PHE HD2 . 15933 1 584 . 1 1 69 69 PHE HE1 H 1 7.342 0.013 . 3 . . . . 69 PHE HE1 . 15933 1 585 . 1 1 69 69 PHE HE2 H 1 7.342 0.013 . 3 . . . . 69 PHE HE2 . 15933 1 586 . 1 1 69 69 PHE HZ H 1 7.248 0.004 . 1 . . . . 69 PHE HZ . 15933 1 587 . 1 1 69 69 PHE CA C 13 59.486 0.101 . 1 . . . . 69 PHE CA . 15933 1 588 . 1 1 69 69 PHE CB C 13 39.421 0.096 . 1 . . . . 69 PHE CB . 15933 1 589 . 1 1 69 69 PHE N N 15 115.739 0.058 . 1 . . . . 69 PHE N . 15933 1 590 . 1 1 70 70 LEU H H 1 7.810 0.012 . 1 . . . . 70 LEU H . 15933 1 591 . 1 1 70 70 LEU HA H 1 4.391 0.016 . 1 . . . . 70 LEU HA . 15933 1 592 . 1 1 70 70 LEU HB2 H 1 1.730 0.012 . 2 . . . . 70 LEU HB2 . 15933 1 593 . 1 1 70 70 LEU HB3 H 1 1.901 0.008 . 2 . . . . 70 LEU HB3 . 15933 1 594 . 1 1 70 70 LEU HD11 H 1 0.989 0.005 . 1 . . . . 70 LEU HD11 . 15933 1 595 . 1 1 70 70 LEU HD12 H 1 0.989 0.005 . 1 . . . . 70 LEU HD12 . 15933 1 596 . 1 1 70 70 LEU HD13 H 1 0.989 0.005 . 1 . . . . 70 LEU HD13 . 15933 1 597 . 1 1 70 70 LEU HD21 H 1 0.987 0.006 . 1 . . . . 70 LEU HD21 . 15933 1 598 . 1 1 70 70 LEU HD22 H 1 0.987 0.006 . 1 . . . . 70 LEU HD22 . 15933 1 599 . 1 1 70 70 LEU HD23 H 1 0.987 0.006 . 1 . . . . 70 LEU HD23 . 15933 1 600 . 1 1 70 70 LEU CA C 13 56.121 0.086 . 1 . . . . 70 LEU CA . 15933 1 601 . 1 1 70 70 LEU CB C 13 41.973 0.059 . 1 . . . . 70 LEU CB . 15933 1 602 . 1 1 70 70 LEU N N 15 118.534 0.064 . 1 . . . . 70 LEU N . 15933 1 603 . 1 1 71 71 VAL H H 1 8.002 0.005 . 1 . . . . 71 VAL H . 15933 1 604 . 1 1 71 71 VAL HA H 1 3.977 0.006 . 1 . . . . 71 VAL HA . 15933 1 605 . 1 1 71 71 VAL HB H 1 2.241 0.014 . 1 . . . . 71 VAL HB . 15933 1 606 . 1 1 71 71 VAL HG11 H 1 0.997 0.010 . 2 . . . . 71 VAL HG11 . 15933 1 607 . 1 1 71 71 VAL HG12 H 1 0.997 0.010 . 2 . . . . 71 VAL HG12 . 15933 1 608 . 1 1 71 71 VAL HG13 H 1 0.997 0.010 . 2 . . . . 71 VAL HG13 . 15933 1 609 . 1 1 71 71 VAL HG21 H 1 1.028 0.019 . 2 . . . . 71 VAL HG21 . 15933 1 610 . 1 1 71 71 VAL HG22 H 1 1.028 0.019 . 2 . . . . 71 VAL HG22 . 15933 1 611 . 1 1 71 71 VAL HG23 H 1 1.028 0.019 . 2 . . . . 71 VAL HG23 . 15933 1 612 . 1 1 71 71 VAL CA C 13 64.238 0.049 . 1 . . . . 71 VAL CA . 15933 1 613 . 1 1 71 71 VAL CB C 13 32.141 0.110 . 1 . . . . 71 VAL CB . 15933 1 614 . 1 1 71 71 VAL CG1 C 13 21.665 0.000 . 1 . . . . 71 VAL CG1 . 15933 1 615 . 1 1 71 71 VAL CG2 C 13 21.649 0.023 . 1 . . . . 71 VAL CG2 . 15933 1 616 . 1 1 71 71 VAL N N 15 118.007 0.091 . 1 . . . . 71 VAL N . 15933 1 617 . 1 1 72 72 ASP H H 1 8.291 0.008 . 1 . . . . 72 ASP H . 15933 1 618 . 1 1 72 72 ASP HA H 1 4.578 0.006 . 1 . . . . 72 ASP HA . 15933 1 619 . 1 1 72 72 ASP HB2 H 1 2.832 0.012 . 1 . . . . 72 ASP HB2 . 15933 1 620 . 1 1 72 72 ASP HB3 H 1 2.828 0.014 . 1 . . . . 72 ASP HB3 . 15933 1 621 . 1 1 72 72 ASP CA C 13 54.995 0.038 . 1 . . . . 72 ASP CA . 15933 1 622 . 1 1 72 72 ASP CB C 13 39.159 0.028 . 1 . . . . 72 ASP CB . 15933 1 623 . 1 1 72 72 ASP N N 15 119.419 0.058 . 1 . . . . 72 ASP N . 15933 1 624 . 1 1 73 73 ASP H H 1 8.082 0.011 . 1 . . . . 73 ASP H . 15933 1 625 . 1 1 73 73 ASP HA H 1 4.600 0.016 . 1 . . . . 73 ASP HA . 15933 1 626 . 1 1 73 73 ASP HB2 H 1 2.804 0.006 . 2 . . . . 73 ASP HB2 . 15933 1 627 . 1 1 73 73 ASP HB3 H 1 2.919 0.015 . 2 . . . . 73 ASP HB3 . 15933 1 628 . 1 1 73 73 ASP C C 13 176.577 0.000 . 1 . . . . 73 ASP C . 15933 1 629 . 1 1 73 73 ASP CA C 13 54.732 0.002 . 1 . . . . 73 ASP CA . 15933 1 630 . 1 1 73 73 ASP CB C 13 38.950 0.000 . 1 . . . . 73 ASP CB . 15933 1 631 . 1 1 73 73 ASP N N 15 117.263 0.080 . 1 . . . . 73 ASP N . 15933 1 632 . 1 1 74 74 LEU H H 1 7.970 0.009 . 1 . . . . 74 LEU H . 15933 1 633 . 1 1 74 74 LEU HA H 1 4.157 0.005 . 1 . . . . 74 LEU HA . 15933 1 634 . 1 1 74 74 LEU HB2 H 1 1.601 0.005 . 2 . . . . 74 LEU HB2 . 15933 1 635 . 1 1 74 74 LEU HB3 H 1 1.690 0.008 . 2 . . . . 74 LEU HB3 . 15933 1 636 . 1 1 74 74 LEU HD11 H 1 0.885 0.004 . 2 . . . . 74 LEU HD11 . 15933 1 637 . 1 1 74 74 LEU HD12 H 1 0.885 0.004 . 2 . . . . 74 LEU HD12 . 15933 1 638 . 1 1 74 74 LEU HD13 H 1 0.885 0.004 . 2 . . . . 74 LEU HD13 . 15933 1 639 . 1 1 74 74 LEU HD21 H 1 1.024 0.004 . 2 . . . . 74 LEU HD21 . 15933 1 640 . 1 1 74 74 LEU HD22 H 1 1.024 0.004 . 2 . . . . 74 LEU HD22 . 15933 1 641 . 1 1 74 74 LEU HD23 H 1 1.024 0.004 . 2 . . . . 74 LEU HD23 . 15933 1 642 . 1 1 74 74 LEU C C 13 178.326 0.000 . 1 . . . . 74 LEU C . 15933 1 643 . 1 1 74 74 LEU CA C 13 57.389 0.000 . 1 . . . . 74 LEU CA . 15933 1 644 . 1 1 74 74 LEU CB C 13 42.335 0.035 . 1 . . . . 74 LEU CB . 15933 1 645 . 1 1 74 74 LEU N N 15 120.349 0.081 . 1 . . . . 74 LEU N . 15933 1 646 . 1 1 75 75 VAL H H 1 8.133 0.013 . 1 . . . . 75 VAL H . 15933 1 647 . 1 1 75 75 VAL HA H 1 3.819 0.013 . 1 . . . . 75 VAL HA . 15933 1 648 . 1 1 75 75 VAL HB H 1 2.217 0.008 . 1 . . . . 75 VAL HB . 15933 1 649 . 1 1 75 75 VAL HG11 H 1 1.061 0.003 . 1 . . . . 75 VAL HG11 . 15933 1 650 . 1 1 75 75 VAL HG12 H 1 1.061 0.003 . 1 . . . . 75 VAL HG12 . 15933 1 651 . 1 1 75 75 VAL HG13 H 1 1.019 0.018 . 1 . . . . 75 VAL HG13 . 15933 1 652 . 1 1 75 75 VAL HG21 H 1 1.037 0.020 . 1 . . . . 75 VAL HG21 . 15933 1 653 . 1 1 75 75 VAL HG22 H 1 1.037 0.020 . 1 . . . . 75 VAL HG22 . 15933 1 654 . 1 1 75 75 VAL HG23 H 1 1.037 0.020 . 1 . . . . 75 VAL HG23 . 15933 1 655 . 1 1 75 75 VAL C C 13 176.943 0.000 . 1 . . . . 75 VAL C . 15933 1 656 . 1 1 75 75 VAL CA C 13 65.015 0.071 . 1 . . . . 75 VAL CA . 15933 1 657 . 1 1 75 75 VAL CB C 13 31.979 0.027 . 1 . . . . 75 VAL CB . 15933 1 658 . 1 1 75 75 VAL CG1 C 13 22.231 0.163 . 1 . . . . 75 VAL CG1 . 15933 1 659 . 1 1 75 75 VAL N N 15 116.466 0.118 . 1 . . . . 75 VAL N . 15933 1 660 . 1 1 76 76 ASP H H 1 7.978 0.010 . 1 . . . . 76 ASP H . 15933 1 661 . 1 1 76 76 ASP HA H 1 4.602 0.012 . 1 . . . . 76 ASP HA . 15933 1 662 . 1 1 76 76 ASP HB2 H 1 2.833 0.009 . 1 . . . . 76 ASP HB2 . 15933 1 663 . 1 1 76 76 ASP C C 13 176.908 0.000 . 1 . . . . 76 ASP C . 15933 1 664 . 1 1 76 76 ASP CA C 13 55.699 0.055 . 1 . . . . 76 ASP CA . 15933 1 665 . 1 1 76 76 ASP CB C 13 39.755 0.006 . 1 . . . . 76 ASP CB . 15933 1 666 . 1 1 76 76 ASP N N 15 118.409 0.127 . 1 . . . . 76 ASP N . 15933 1 667 . 1 1 77 77 SER H H 1 7.867 0.013 . 1 . . . . 77 SER H . 15933 1 668 . 1 1 77 77 SER HA H 1 4.431 0.014 . 1 . . . . 77 SER HA . 15933 1 669 . 1 1 77 77 SER HB2 H 1 3.984 0.007 . 1 . . . . 77 SER HB2 . 15933 1 670 . 1 1 77 77 SER C C 13 174.123 0.000 . 1 . . . . 77 SER C . 15933 1 671 . 1 1 77 77 SER CA C 13 60.216 0.069 . 1 . . . . 77 SER CA . 15933 1 672 . 1 1 77 77 SER CB C 13 63.881 0.008 . 1 . . . . 77 SER CB . 15933 1 673 . 1 1 77 77 SER N N 15 114.530 0.076 . 1 . . . . 77 SER N . 15933 1 674 . 1 1 78 78 LEU H H 1 7.685 0.010 . 1 . . . . 78 LEU H . 15933 1 675 . 1 1 78 78 LEU HA H 1 4.390 0.012 . 1 . . . . 78 LEU HA . 15933 1 676 . 1 1 78 78 LEU HB2 H 1 1.666 0.012 . 2 . . . . 78 LEU HB2 . 15933 1 677 . 1 1 78 78 LEU HB3 H 1 1.803 0.012 . 2 . . . . 78 LEU HB3 . 15933 1 678 . 1 1 78 78 LEU HD11 H 1 0.906 0.021 . 2 . . . . 78 LEU HD11 . 15933 1 679 . 1 1 78 78 LEU HD12 H 1 0.906 0.021 . 2 . . . . 78 LEU HD12 . 15933 1 680 . 1 1 78 78 LEU HD13 H 1 0.906 0.021 . 2 . . . . 78 LEU HD13 . 15933 1 681 . 1 1 78 78 LEU HD21 H 1 0.925 0.016 . 2 . . . . 78 LEU HD21 . 15933 1 682 . 1 1 78 78 LEU HD22 H 1 0.925 0.016 . 2 . . . . 78 LEU HD22 . 15933 1 683 . 1 1 78 78 LEU HD23 H 1 0.925 0.016 . 2 . . . . 78 LEU HD23 . 15933 1 684 . 1 1 78 78 LEU HG H 1 1.827 0.008 . 1 . . . . 78 LEU HG . 15933 1 685 . 1 1 78 78 LEU C C 13 175.831 0.000 . 1 . . . . 78 LEU C . 15933 1 686 . 1 1 78 78 LEU CA C 13 55.133 0.024 . 1 . . . . 78 LEU CA . 15933 1 687 . 1 1 78 78 LEU CB C 13 42.485 0.060 . 1 . . . . 78 LEU CB . 15933 1 688 . 1 1 78 78 LEU CG C 13 26.888 0.067 . 1 . . . . 78 LEU CG . 15933 1 689 . 1 1 78 78 LEU N N 15 120.898 0.167 . 1 . . . . 78 LEU N . 15933 1 690 . 1 1 79 79 LYS H H 1 7.511 0.014 . 1 . . . . 79 LYS H . 15933 1 691 . 1 1 79 79 LYS HA H 1 4.189 0.008 . 1 . . . . 79 LYS HA . 15933 1 692 . 1 1 79 79 LYS HB2 H 1 1.812 0.008 . 2 . . . . 79 LYS HB2 . 15933 1 693 . 1 1 79 79 LYS HB3 H 1 1.881 0.008 . 2 . . . . 79 LYS HB3 . 15933 1 694 . 1 1 79 79 LYS HG2 H 1 1.496 0.012 . 1 . . . . 79 LYS HG2 . 15933 1 695 . 1 1 79 79 LYS HG3 H 1 1.492 0.008 . 1 . . . . 79 LYS HG3 . 15933 1 696 . 1 1 79 79 LYS CA C 13 57.390 0.000 . 1 . . . . 79 LYS CA . 15933 1 697 . 1 1 79 79 LYS CB C 13 33.653 0.030 . 1 . . . . 79 LYS CB . 15933 1 698 . 1 1 79 79 LYS CG C 13 25.334 0.012 . 1 . . . . 79 LYS CG . 15933 1 699 . 1 1 79 79 LYS N N 15 122.412 0.095 . 1 . . . . 79 LYS N . 15933 1 stop_ save_