data_7118 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7118 _Entry.Title ; Solution structure of neurabin SAM domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-17 _Entry.Accession_date 2006-05-17 _Entry.Last_release_date 2007-09-24 _Entry.Original_release_date 2007-09-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Solution structure of monomeric neurabin SAM domain' _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 Tingting Ju . . . 7118 2 Wolfgang Peti . . . 7118 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Rattus norvegicus' . 7118 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7118 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 303 7118 '15N chemical shifts' 83 7118 '1H chemical shifts' 530 7118 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 . . 2007-09-24 2006-05-17 original author . 7118 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 6933 'PDZ domain from same protein' 7118 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 7118 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17600833 _Citation.Full_citation . _Citation.Title 'Structural characterization of the neurabin sterile alpha motif domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 69 _Citation.Journal_issue 1 _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 192 _Citation.Page_last 198 _Citation.Year 2007 _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 Tingting Ju . . . 7118 1 2 M.J. Ragusa . . . 7118 1 3 J. Hudak . . . 7118 1 4 A.C. Nairn . . . 7118 1 5 Wolfgang Peti . . . 7118 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Neurabin, Scaffolding protein' 7118 1 'SAM domain' 7118 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7118 _Assembly.ID 1 _Assembly.Name 'Neurabin SAM domain monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 8341.6 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7118 1 stop_ 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 'Neurabin SAM domain monomer' 1 $Neurabin_SAM_domain . . yes native no no . . . 7118 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Neurabin_SAM_domain _Entity.Sf_category entity _Entity.Sf_framecode Neurabin_SAM_domain _Entity.Entry_ID 7118 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Neurabin SAM domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMVHEWSVQQVSHWLVGLS LDQYVSEFSAQNISGEQLLQ LDGNKLKALGMTSSQDRALV KKKLKEMKMSLEKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8341.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2GLE . "Solution Structure Of Neurabin Sam Domain" . . . . . 100.00 74 100.00 100.00 1.27e-43 . . . . 7118 1 2 no GB AAC53454 . "neurabin [Rattus norvegicus]" . . . . . 98.65 1095 97.26 97.26 1.99e-38 . . . . 7118 1 3 no GB EDM15014 . "neurabin 1, isoform CRA_a [Rattus norvegicus]" . . . . . 98.65 1095 97.26 97.26 1.99e-38 . . . . 7118 1 4 no GB EDM15015 . "neurabin 1, isoform CRA_b [Rattus norvegicus]" . . . . . 98.65 1312 97.26 97.26 1.98e-38 . . . . 7118 1 5 no GB EDM15016 . "neurabin 1, isoform CRA_a [Rattus norvegicus]" . . . . . 98.65 1095 97.26 97.26 1.99e-38 . . . . 7118 1 6 no REF NP_445925 . "neurabin-1 [Rattus norvegicus]" . . . . . 98.65 1095 97.26 97.26 1.99e-38 . . . . 7118 1 7 no REF XP_006236119 . "PREDICTED: neurabin-1 isoform X1 [Rattus norvegicus]" . . . . . 98.65 1320 97.26 97.26 2.01e-38 . . . . 7118 1 8 no REF XP_006236120 . "PREDICTED: neurabin-1 isoform X1 [Rattus norvegicus]" . . . . . 98.65 1320 97.26 97.26 2.01e-38 . . . . 7118 1 9 no REF XP_006236123 . "PREDICTED: neurabin-1 isoform X2 [Rattus norvegicus]" . . . . . 98.65 1312 97.26 97.26 1.98e-38 . . . . 7118 1 10 no REF XP_006236125 . "PREDICTED: neurabin-1 isoform X3 [Rattus norvegicus]" . . . . . 98.65 1298 97.26 97.26 1.90e-38 . . . . 7118 1 11 no SP O35867 . "RecName: Full=Neurabin-1; AltName: Full=Neurabin-I; AltName: Full=Neural tissue-specific F-actin-binding protein I; AltName: Fu" . . . . . 98.65 1095 97.26 97.26 1.99e-38 . . . . 7118 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'protein interaction' 7118 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID Neurabin 7118 1 'SAM domain' 7118 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 1 GLY . 7118 1 2 2 HIS . 7118 1 3 3 MET . 7118 1 4 4 VAL . 7118 1 5 5 HIS . 7118 1 6 6 GLU . 7118 1 7 7 TRP . 7118 1 8 8 SER . 7118 1 9 9 VAL . 7118 1 10 10 GLN . 7118 1 11 11 GLN . 7118 1 12 12 VAL . 7118 1 13 13 SER . 7118 1 14 14 HIS . 7118 1 15 15 TRP . 7118 1 16 16 LEU . 7118 1 17 17 VAL . 7118 1 18 18 GLY . 7118 1 19 19 LEU . 7118 1 20 20 SER . 7118 1 21 21 LEU . 7118 1 22 22 ASP . 7118 1 23 23 GLN . 7118 1 24 24 TYR . 7118 1 25 25 VAL . 7118 1 26 26 SER . 7118 1 27 27 GLU . 7118 1 28 28 PHE . 7118 1 29 29 SER . 7118 1 30 30 ALA . 7118 1 31 31 GLN . 7118 1 32 32 ASN . 7118 1 33 33 ILE . 7118 1 34 34 SER . 7118 1 35 35 GLY . 7118 1 36 36 GLU . 7118 1 37 37 GLN . 7118 1 38 38 LEU . 7118 1 39 39 LEU . 7118 1 40 40 GLN . 7118 1 41 41 LEU . 7118 1 42 42 ASP . 7118 1 43 43 GLY . 7118 1 44 44 ASN . 7118 1 45 45 LYS . 7118 1 46 46 LEU . 7118 1 47 47 LYS . 7118 1 48 48 ALA . 7118 1 49 49 LEU . 7118 1 50 50 GLY . 7118 1 51 51 MET . 7118 1 52 52 THR . 7118 1 53 53 SER . 7118 1 54 54 SER . 7118 1 55 55 GLN . 7118 1 56 56 ASP . 7118 1 57 57 ARG . 7118 1 58 58 ALA . 7118 1 59 59 LEU . 7118 1 60 60 VAL . 7118 1 61 61 LYS . 7118 1 62 62 LYS . 7118 1 63 63 LYS . 7118 1 64 64 LEU . 7118 1 65 65 LYS . 7118 1 66 66 GLU . 7118 1 67 67 MET . 7118 1 68 68 LYS . 7118 1 69 69 MET . 7118 1 70 70 SER . 7118 1 71 71 LEU . 7118 1 72 72 GLU . 7118 1 73 73 LYS . 7118 1 74 74 ALA . 7118 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 7118 1 . HIS 2 2 7118 1 . MET 3 3 7118 1 . VAL 4 4 7118 1 . HIS 5 5 7118 1 . GLU 6 6 7118 1 . TRP 7 7 7118 1 . SER 8 8 7118 1 . VAL 9 9 7118 1 . GLN 10 10 7118 1 . GLN 11 11 7118 1 . VAL 12 12 7118 1 . SER 13 13 7118 1 . HIS 14 14 7118 1 . TRP 15 15 7118 1 . LEU 16 16 7118 1 . VAL 17 17 7118 1 . GLY 18 18 7118 1 . LEU 19 19 7118 1 . SER 20 20 7118 1 . LEU 21 21 7118 1 . ASP 22 22 7118 1 . GLN 23 23 7118 1 . TYR 24 24 7118 1 . VAL 25 25 7118 1 . SER 26 26 7118 1 . GLU 27 27 7118 1 . PHE 28 28 7118 1 . SER 29 29 7118 1 . ALA 30 30 7118 1 . GLN 31 31 7118 1 . ASN 32 32 7118 1 . ILE 33 33 7118 1 . SER 34 34 7118 1 . GLY 35 35 7118 1 . GLU 36 36 7118 1 . GLN 37 37 7118 1 . LEU 38 38 7118 1 . LEU 39 39 7118 1 . GLN 40 40 7118 1 . LEU 41 41 7118 1 . ASP 42 42 7118 1 . GLY 43 43 7118 1 . ASN 44 44 7118 1 . LYS 45 45 7118 1 . LEU 46 46 7118 1 . LYS 47 47 7118 1 . ALA 48 48 7118 1 . LEU 49 49 7118 1 . GLY 50 50 7118 1 . MET 51 51 7118 1 . THR 52 52 7118 1 . SER 53 53 7118 1 . SER 54 54 7118 1 . GLN 55 55 7118 1 . ASP 56 56 7118 1 . ARG 57 57 7118 1 . ALA 58 58 7118 1 . LEU 59 59 7118 1 . VAL 60 60 7118 1 . LYS 61 61 7118 1 . LYS 62 62 7118 1 . LYS 63 63 7118 1 . LEU 64 64 7118 1 . LYS 65 65 7118 1 . GLU 66 66 7118 1 . MET 67 67 7118 1 . LYS 68 68 7118 1 . MET 69 69 7118 1 . SER 70 70 7118 1 . LEU 71 71 7118 1 . GLU 72 72 7118 1 . LYS 73 73 7118 1 . ALA 74 74 7118 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 7118 _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 $Neurabin_SAM_domain . 10116 . no . 'Norway Rat' . . Eukaryota Animalia Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 7118 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 7118 _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 $Neurabin_SAM_domain . 'recombinant technology' . . 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . . . . . . 7118 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7118 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C, 15N labeled neurabin SAM domain' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Neurabin SAM domain' '[U-95% 13C; U-99% 15N]' . . 1 $Neurabin_SAM_domain . protein 1.5 0.5 3 mM 0.1 . . . 7118 1 2 NaPi . . . . . . . 20 . . mM . . . . 7118 1 3 NaCl . . . . . . . 50 . . mM . . . . 7118 1 4 D2O . . . . . . . 100 . . % . . . . 7118 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7118 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labeled neurabin SAM domain' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Neurabin SAM domain' '[U-99% 15N]' . . 1 $Neurabin_SAM_domain . protein 1.5 0.5 3 mM 0.1 . . . 7118 2 2 NaPi . . . . . . . 20 . . mM . . . . 7118 2 3 NaCl . . . . . . . 50 . . mM . . . . 7118 2 4 D2O . . . . . . . 100 . . % . . . . 7118 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7118 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Protonated neurabin SAM domain in 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Neurabin SAM domain' . . . 1 $Neurabin_SAM_domain . protein 1.5 0.5 3 mM 0.1 . . . 7118 3 2 NaPi . . . . . . . 20 . . mM . . . . 7118 3 3 NaCl . . . . . . . 50 . . mM . . . . 7118 3 4 D2O . . . . . . . 100 . . % . . . . 7118 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7118 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM NaPi, 50 mM NaCl, pH 6.8, 10% D2O' 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 pH 6.8 0.1 pH 7118 1 temperature 298 0.1 K 7118 1 stop_ save_ save_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_2 _Sample_condition_list.Entry_ID 7118 _Sample_condition_list.ID 2 _Sample_condition_list.Details '20 mM NaPi, 50 mM NaCl, pH 6.8, 100% D2O' 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 pH 6.8 0.1 pH 7118 2 temperature 298 0.1 K 7118 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7118 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker ; 15 Fortune Drive Manning Road Billerica, MA 01821-3991 ; www.bruker-biospin.com 7118 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data acquisition and processing' 7118 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7118 _Software.ID 2 _Software.Name CARA _Software.Version 1.5 _Software.Details ; Citation: The Computer Aided Resonance Assignment Tutorial, Rochus Keller, first edition 2004, ISBN 3-85600-112-3, CANTINA Verlag. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID . . http://www.nmr.ch/ 7118 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 7118 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 7118 _Software.ID 3 _Software.Name ATNOS _Software.Version 1.1 _Software.Details ; Citation: Herrmann, T., Guntert, P. & Wuthrich, K. J. Biomol. NMR 2002 Nov; 24(3): 171-189. Herrmann, T., Guntert, P. & Wuthrich, K. J. Mol. Biol. 2002 May; 319(1): 209-227. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID . . http://hugin.ethz.ch/wuthrich/people/torsten/atnoscandid/ 7118 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated peak assignments' 7118 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 7118 _Software.ID 4 _Software.Name CYANA _Software.Version 2.0 _Software.Details ; Citation: Guntert, P., Mumenthaler, C. & Wuthrich, K. (1997). J. Mol. Biol. 273, 283-298. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID LAS . http://www.las.jp/prod/cyana/eg/ 7118 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 7118 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 7118 _Software.ID 5 _Software.Name CNS _Software.Version 1.1 _Software.Details ; Citation: Crystallography & NMR System, Acta Cryst. (1998) D54, 905-921 ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID . . http://cns.csb.yale.edu/v1.1/ 7118 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure refinement' 7118 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 7118 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7118 _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 15N_edited_NOESY no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 7118 1 2 13C_edited_NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 7118 1 3 2D_NOESY no . . . . . . . . . . 3 $sample_3 . . . 2 $conditions_2 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 7118 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7118 _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 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 7118 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 7118 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 7118 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7118 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7118 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 1 $software_1 . . 7118 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 2 2 HIS HA H 1 4.639 0.001 . . . . . . 2 HIS HA . 7118 1 2 . 1 1 2 2 HIS HB2 H 1 3.010 0.008 . . . . . . 2 HIS HB . 7118 1 3 . 1 1 2 2 HIS HB3 H 1 3.010 0.008 . . . . . . 2 HIS HB . 7118 1 4 . 1 1 2 2 HIS HD2 H 1 6.957 0.015 . . . . . . 2 HIS HD2 . 7118 1 5 . 1 1 2 2 HIS HE1 H 1 7.728 0.015 . . . . . . 2 HIS HE1 . 7118 1 6 . 1 1 2 2 HIS C C 13 176.128 0.25 . . . . . . 2 HIS C . 7118 1 7 . 1 1 2 2 HIS CA C 13 56.888 0.25 . . . . . . 2 HIS CA . 7118 1 8 . 1 1 2 2 HIS CB C 13 31.099 0.25 . . . . . . 2 HIS CB . 7118 1 9 . 1 1 3 3 MET H H 1 8.500 0.015 . . . . . . 3 MET H . 7118 1 10 . 1 1 3 3 MET HA H 1 4.255 0.007 . . . . . . 3 MET HA . 7118 1 11 . 1 1 3 3 MET HB2 H 1 1.835 0.004 . . . . . . 3 MET HB2 . 7118 1 12 . 1 1 3 3 MET HB3 H 1 1.621 0.010 . . . . . . 3 MET HB3 . 7118 1 13 . 1 1 3 3 MET HG2 H 1 2.442 0.002 . . . . . . 3 MET HG2 . 7118 1 14 . 1 1 3 3 MET HG3 H 1 2.324 0.005 . . . . . . 3 MET HG3 . 7118 1 15 . 1 1 3 3 MET C C 13 177.127 0.25 . . . . . . 3 MET C . 7118 1 16 . 1 1 3 3 MET CA C 13 55.201 0.25 . . . . . . 3 MET CA . 7118 1 17 . 1 1 3 3 MET CB C 13 32.545 0.25 . . . . . . 3 MET CB . 7118 1 18 . 1 1 3 3 MET CG C 13 32.304 0.25 . . . . . . 3 MET CG . 7118 1 19 . 1 1 3 3 MET N N 15 122.171 0.06 . . . . . . 3 MET N . 7118 1 20 . 1 1 4 4 VAL H H 1 7.911 0.015 . . . . . . 4 VAL H . 7118 1 21 . 1 1 4 4 VAL HA H 1 1.127 0.005 . . . . . . 4 VAL HA . 7118 1 22 . 1 1 4 4 VAL HB H 1 1.057 0.008 . . . . . . 4 VAL HB . 7118 1 23 . 1 1 4 4 VAL HG11 H 1 -0.151 0.005 . . . . . . 4 VAL HG1 . 7118 1 24 . 1 1 4 4 VAL HG12 H 1 -0.151 0.005 . . . . . . 4 VAL HG1 . 7118 1 25 . 1 1 4 4 VAL HG13 H 1 -0.151 0.005 . . . . . . 4 VAL HG1 . 7118 1 26 . 1 1 4 4 VAL HG21 H 1 -0.160 0.011 . . . . . . 4 VAL HG2 . 7118 1 27 . 1 1 4 4 VAL HG22 H 1 -0.160 0.011 . . . . . . 4 VAL HG2 . 7118 1 28 . 1 1 4 4 VAL HG23 H 1 -0.160 0.011 . . . . . . 4 VAL HG2 . 7118 1 29 . 1 1 4 4 VAL C C 13 176.729 0.25 . . . . . . 4 VAL C . 7118 1 30 . 1 1 4 4 VAL CA C 13 64.359 0.25 . . . . . . 4 VAL CA . 7118 1 31 . 1 1 4 4 VAL CB C 13 30.617 0.25 . . . . . . 4 VAL CB . 7118 1 32 . 1 1 4 4 VAL CG1 C 13 21.217 0.25 . . . . . . 4 VAL CG1 . 7118 1 33 . 1 1 4 4 VAL CG2 C 13 20.012 0.25 . . . . . . 4 VAL CG2 . 7118 1 34 . 1 1 4 4 VAL N N 15 121.111 0.06 . . . . . . 4 VAL N . 7118 1 35 . 1 1 5 5 HIS H H 1 7.765 0.015 . . . . . . 5 HIS H . 7118 1 36 . 1 1 5 5 HIS HA H 1 3.571 0.008 . . . . . . 5 HIS HA . 7118 1 37 . 1 1 5 5 HIS HB2 H 1 2.961 0.008 . . . . . . 5 HIS HB2 . 7118 1 38 . 1 1 5 5 HIS HB3 H 1 2.643 0.008 . . . . . . 5 HIS HB3 . 7118 1 39 . 1 1 5 5 HIS HD2 H 1 6.801 0.015 . . . . . . 5 HIS HD2 . 7118 1 40 . 1 1 5 5 HIS HE1 H 1 7.653 0.015 . . . . . . 5 HIS HE1 . 7118 1 41 . 1 1 5 5 HIS C C 13 175.758 0.25 . . . . . . 5 HIS C . 7118 1 42 . 1 1 5 5 HIS CA C 13 58.816 0.25 . . . . . . 5 HIS CA . 7118 1 43 . 1 1 5 5 HIS CB C 13 28.689 0.25 . . . . . . 5 HIS CB . 7118 1 44 . 1 1 5 5 HIS N N 15 113.913 0.06 . . . . . . 5 HIS N . 7118 1 45 . 1 1 6 6 GLU H H 1 7.338 0.015 . . . . . . 6 GLU H . 7118 1 46 . 1 1 6 6 GLU HA H 1 4.161 0.010 . . . . . . 6 GLU HA . 7118 1 47 . 1 1 6 6 GLU HB2 H 1 2.033 0.007 . . . . . . 6 GLU HB2 . 7118 1 48 . 1 1 6 6 GLU HB3 H 1 1.808 0.015 . . . . . . 6 GLU HB3 . 7118 1 49 . 1 1 6 6 GLU HG2 H 1 1.347 0.005 . . . . . . 6 GLU HG2 . 7118 1 50 . 1 1 6 6 GLU HG3 H 1 1.808 0.002 . . . . . . 6 GLU HG3 . 7118 1 51 . 1 1 6 6 GLU C C 13 177.405 0.25 . . . . . . 6 GLU C . 7118 1 52 . 1 1 6 6 GLU CA C 13 55.201 0.25 . . . . . . 6 GLU CA . 7118 1 53 . 1 1 6 6 GLU CB C 13 30.376 0.25 . . . . . . 6 GLU CB . 7118 1 54 . 1 1 6 6 GLU CG C 13 36.401 0.25 . . . . . . 6 GLU CG . 7118 1 55 . 1 1 6 6 GLU N N 15 117.377 0.06 . . . . . . 6 GLU N . 7118 1 56 . 1 1 7 7 TRP H H 1 7.838 0.015 . . . . . . 7 TRP H . 7118 1 57 . 1 1 7 7 TRP HA H 1 4.859 0.002 . . . . . . 7 TRP HA . 7118 1 58 . 1 1 7 7 TRP HB2 H 1 3.028 0.002 . . . . . . 7 TRP HB . 7118 1 59 . 1 1 7 7 TRP HB3 H 1 3.028 0.002 . . . . . . 7 TRP HB . 7118 1 60 . 1 1 7 7 TRP HD1 H 1 6.652 0.015 . . . . . . 7 TRP HD1 . 7118 1 61 . 1 1 7 7 TRP HE1 H 1 9.347 0.015 . . . . . . 7 TRP HE1 . 7118 1 62 . 1 1 7 7 TRP HE3 H 1 7.361 0.015 . . . . . . 7 TRP HE3 . 7118 1 63 . 1 1 7 7 TRP HZ2 H 1 7.243 0.015 . . . . . . 7 TRP HZ2 . 7118 1 64 . 1 1 7 7 TRP HZ3 H 1 6.818 0.015 . . . . . . 7 TRP HZ3 . 7118 1 65 . 1 1 7 7 TRP HH2 H 1 5.812 0.015 . . . . . . 7 TRP HH2 . 7118 1 66 . 1 1 7 7 TRP C C 13 178.550 0.25 . . . . . . 7 TRP C . 7118 1 67 . 1 1 7 7 TRP CA C 13 55.683 0.25 . . . . . . 7 TRP CA . 7118 1 68 . 1 1 7 7 TRP CB C 13 29.894 0.25 . . . . . . 7 TRP CB . 7118 1 69 . 1 1 7 7 TRP N N 15 121.233 0.06 . . . . . . 7 TRP N . 7118 1 70 . 1 1 7 7 TRP NE1 N 15 125.479 0.06 . . . . . . 7 TRP NE1 . 7118 1 71 . 1 1 8 8 SER H H 1 9.284 0.015 . . . . . . 8 SER H . 7118 1 72 . 1 1 8 8 SER HA H 1 4.642 0.005 . . . . . . 8 SER HA . 7118 1 73 . 1 1 8 8 SER HB2 H 1 4.425 0.008 . . . . . . 8 SER HB2 . 7118 1 74 . 1 1 8 8 SER HB3 H 1 4.067 0.003 . . . . . . 8 SER HB3 . 7118 1 75 . 1 1 8 8 SER C C 13 175.240 0.25 . . . . . . 8 SER C . 7118 1 76 . 1 1 8 8 SER CA C 13 56.647 0.25 . . . . . . 8 SER CA . 7118 1 77 . 1 1 8 8 SER CB C 13 66.047 0.25 . . . . . . 8 SER CB . 7118 1 78 . 1 1 8 8 SER N N 15 121.641 0.06 . . . . . . 8 SER N . 7118 1 79 . 1 1 9 9 VAL H H 1 8.687 0.015 . . . . . . 9 VAL H . 7118 1 80 . 1 1 9 9 VAL HA H 1 3.865 0.007 . . . . . . 9 VAL HA . 7118 1 81 . 1 1 9 9 VAL HB H 1 1.885 0.005 . . . . . . 9 VAL HB . 7118 1 82 . 1 1 9 9 VAL HG11 H 1 0.853 0.001 . . . . . . 9 VAL HG1 . 7118 1 83 . 1 1 9 9 VAL HG12 H 1 0.853 0.001 . . . . . . 9 VAL HG1 . 7118 1 84 . 1 1 9 9 VAL HG13 H 1 0.853 0.001 . . . . . . 9 VAL HG1 . 7118 1 85 . 1 1 9 9 VAL HG21 H 1 0.929 0.002 . . . . . . 9 VAL HG2 . 7118 1 86 . 1 1 9 9 VAL HG22 H 1 0.929 0.002 . . . . . . 9 VAL HG2 . 7118 1 87 . 1 1 9 9 VAL HG23 H 1 0.929 0.002 . . . . . . 9 VAL HG2 . 7118 1 88 . 1 1 9 9 VAL C C 13 178.883 0.25 . . . . . . 9 VAL C . 7118 1 89 . 1 1 9 9 VAL CA C 13 66.047 0.25 . . . . . . 9 VAL CA . 7118 1 90 . 1 1 9 9 VAL CB C 13 32.063 0.25 . . . . . . 9 VAL CB . 7118 1 91 . 1 1 9 9 VAL CG1 C 13 22.422 0.25 . . . . . . 9 VAL CG1 . 7118 1 92 . 1 1 9 9 VAL CG2 C 13 20.976 0.25 . . . . . . 9 VAL CG2 . 7118 1 93 . 1 1 9 9 VAL N N 15 120.224 0.06 . . . . . . 9 VAL N . 7118 1 94 . 1 1 10 10 GLN H H 1 8.131 0.015 . . . . . . 10 GLN H . 7118 1 95 . 1 1 10 10 GLN HA H 1 3.971 0.005 . . . . . . 10 GLN HA . 7118 1 96 . 1 1 10 10 GLN HB2 H 1 1.777 0.004 . . . . . . 10 GLN HB2 . 7118 1 97 . 1 1 10 10 GLN HB3 H 1 1.921 0.007 . . . . . . 10 GLN HB3 . 7118 1 98 . 1 1 10 10 GLN HG2 H 1 2.222 0.002 . . . . . . 10 GLN HG . 7118 1 99 . 1 1 10 10 GLN HG3 H 1 2.222 0.002 . . . . . . 10 GLN HG . 7118 1 100 . 1 1 10 10 GLN HE21 H 1 7.423 0.015 . . . . . . 10 GLN HE21 . 7118 1 101 . 1 1 10 10 GLN HE22 H 1 6.837 0.015 . . . . . . 10 GLN HE22 . 7118 1 102 . 1 1 10 10 GLN C C 13 178.597 0.25 . . . . . . 10 GLN C . 7118 1 103 . 1 1 10 10 GLN CA C 13 59.298 0.25 . . . . . . 10 GLN CA . 7118 1 104 . 1 1 10 10 GLN CB C 13 27.966 0.25 . . . . . . 10 GLN CB . 7118 1 105 . 1 1 10 10 GLN CG C 13 34.955 0.25 . . . . . . 10 GLN CG . 7118 1 106 . 1 1 10 10 GLN N N 15 118.469 0.06 . . . . . . 10 GLN N . 7118 1 107 . 1 1 10 10 GLN NE2 N 15 112.778 0.06 . . . . . . 10 GLN NE2 . 7118 1 108 . 1 1 11 11 GLN H H 1 7.820 0.015 . . . . . . 11 GLN H . 7118 1 109 . 1 1 11 11 GLN HA H 1 3.616 0.005 . . . . . . 11 GLN HA . 7118 1 110 . 1 1 11 11 GLN HB2 H 1 2.030 0.005 . . . . . . 11 GLN HB2 . 7118 1 111 . 1 1 11 11 GLN HB3 H 1 0.990 0.002 . . . . . . 11 GLN HB3 . 7118 1 112 . 1 1 11 11 GLN HG2 H 1 1.909 0.008 . . . . . . 11 GLN HG . 7118 1 113 . 1 1 11 11 GLN HG3 H 1 1.909 0.008 . . . . . . 11 GLN HG . 7118 1 114 . 1 1 11 11 GLN HE21 H 1 7.142 0.015 . . . . . . 11 GLN HE21 . 7118 1 115 . 1 1 11 11 GLN HE22 H 1 6.740 0.015 . . . . . . 11 GLN HE22 . 7118 1 116 . 1 1 11 11 GLN C C 13 179.762 0.25 . . . . . . 11 GLN C . 7118 1 117 . 1 1 11 11 GLN CA C 13 59.298 0.25 . . . . . . 11 GLN CA . 7118 1 118 . 1 1 11 11 GLN CB C 13 28.207 0.25 . . . . . . 11 GLN CB . 7118 1 119 . 1 1 11 11 GLN CG C 13 35.678 0.25 . . . . . . 11 GLN CG . 7118 1 120 . 1 1 11 11 GLN N N 15 120.638 0.06 . . . . . . 11 GLN N . 7118 1 121 . 1 1 11 11 GLN NE2 N 15 112.984 0.06 . . . . . . 11 GLN NE2 . 7118 1 122 . 1 1 12 12 VAL H H 1 7.991 0.015 . . . . . . 12 VAL H . 7118 1 123 . 1 1 12 12 VAL HA H 1 3.736 0.002 . . . . . . 12 VAL HA . 7118 1 124 . 1 1 12 12 VAL HB H 1 2.616 0.005 . . . . . . 12 VAL HB . 7118 1 125 . 1 1 12 12 VAL HG11 H 1 1.033 0.008 . . . . . . 12 VAL HG1 . 7118 1 126 . 1 1 12 12 VAL HG12 H 1 1.033 0.008 . . . . . . 12 VAL HG1 . 7118 1 127 . 1 1 12 12 VAL HG13 H 1 1.033 0.008 . . . . . . 12 VAL HG1 . 7118 1 128 . 1 1 12 12 VAL HG21 H 1 1.072 0.002 . . . . . . 12 VAL HG2 . 7118 1 129 . 1 1 12 12 VAL HG22 H 1 1.072 0.002 . . . . . . 12 VAL HG2 . 7118 1 130 . 1 1 12 12 VAL HG23 H 1 1.072 0.002 . . . . . . 12 VAL HG2 . 7118 1 131 . 1 1 12 12 VAL C C 13 177.875 0.25 . . . . . . 12 VAL C . 7118 1 132 . 1 1 12 12 VAL CA C 13 67.493 0.25 . . . . . . 12 VAL CA . 7118 1 133 . 1 1 12 12 VAL CB C 13 31.099 0.25 . . . . . . 12 VAL CB . 7118 1 134 . 1 1 12 12 VAL CG1 C 13 24.109 0.25 . . . . . . 12 VAL CG1 . 7118 1 135 . 1 1 12 12 VAL CG2 C 13 22.181 0.25 . . . . . . 12 VAL CG2 . 7118 1 136 . 1 1 12 12 VAL N N 15 123.171 0.06 . . . . . . 12 VAL N . 7118 1 137 . 1 1 13 13 SER H H 1 8.192 0.015 . . . . . . 13 SER H . 7118 1 138 . 1 1 13 13 SER HA H 1 3.809 0.004 . . . . . . 13 SER HA . 7118 1 139 . 1 1 13 13 SER HB2 H 1 4.163 0.015 . . . . . . 13 SER HB2 . 7118 1 140 . 1 1 13 13 SER HB3 H 1 3.972 0.015 . . . . . . 13 SER HB3 . 7118 1 141 . 1 1 13 13 SER C C 13 175.518 0.25 . . . . . . 13 SER C . 7118 1 142 . 1 1 13 13 SER CA C 13 62.190 0.25 . . . . . . 13 SER CA . 7118 1 143 . 1 1 13 13 SER CB C 13 62.190 0.25 . . . . . . 13 SER CB . 7118 1 144 . 1 1 13 13 SER N N 15 116.685 0.06 . . . . . . 13 SER N . 7118 1 145 . 1 1 14 14 HIS H H 1 7.771 0.015 . . . . . . 14 HIS H . 7118 1 146 . 1 1 14 14 HIS HA H 1 4.066 0.006 . . . . . . 14 HIS HA . 7118 1 147 . 1 1 14 14 HIS HB2 H 1 2.937 0.008 . . . . . . 14 HIS HB . 7118 1 148 . 1 1 14 14 HIS HB3 H 1 2.937 0.008 . . . . . . 14 HIS HB . 7118 1 149 . 1 1 14 14 HIS HD2 H 1 6.769 0.015 . . . . . . 14 HIS HD2 . 7118 1 150 . 1 1 14 14 HIS HE1 H 1 7.646 0.015 . . . . . . 14 HIS HE1 . 7118 1 151 . 1 1 14 14 HIS C C 13 177.811 0.25 . . . . . . 14 HIS C . 7118 1 152 . 1 1 14 14 HIS CA C 13 58.575 0.25 . . . . . . 14 HIS CA . 7118 1 153 . 1 1 14 14 HIS CB C 13 29.412 0.25 . . . . . . 14 HIS CB . 7118 1 154 . 1 1 14 14 HIS N N 15 118.455 0.06 . . . . . . 14 HIS N . 7118 1 155 . 1 1 15 15 TRP H H 1 7.845 0.015 . . . . . . 15 TRP H . 7118 1 156 . 1 1 15 15 TRP HA H 1 4.047 0.006 . . . . . . 15 TRP HA . 7118 1 157 . 1 1 15 15 TRP HB2 H 1 3.668 0.008 . . . . . . 15 TRP HB2 . 7118 1 158 . 1 1 15 15 TRP HB3 H 1 2.892 0.002 . . . . . . 15 TRP HB3 . 7118 1 159 . 1 1 15 15 TRP HD1 H 1 7.341 0.015 . . . . . . 15 TRP HD1 . 7118 1 160 . 1 1 15 15 TRP HE1 H 1 10.199 0.015 . . . . . . 15 TRP HE1 . 7118 1 161 . 1 1 15 15 TRP HE3 H 1 7.433 0.015 . . . . . . 15 TRP HE3 . 7118 1 162 . 1 1 15 15 TRP HZ2 H 1 7.021 0.015 . . . . . . 15 TRP HZ2 . 7118 1 163 . 1 1 15 15 TRP HZ3 H 1 6.597 0.015 . . . . . . 15 TRP HZ3 . 7118 1 164 . 1 1 15 15 TRP HH2 H 1 6.854 0.015 . . . . . . 15 TRP HH2 . 7118 1 165 . 1 1 15 15 TRP C C 13 178.421 0.25 . . . . . . 15 TRP C . 7118 1 166 . 1 1 15 15 TRP CA C 13 60.985 0.25 . . . . . . 15 TRP CA . 7118 1 167 . 1 1 15 15 TRP CB C 13 28.207 0.25 . . . . . . 15 TRP CB . 7118 1 168 . 1 1 15 15 TRP N N 15 123.884 0.06 . . . . . . 15 TRP N . 7118 1 169 . 1 1 15 15 TRP NE1 N 15 129.729 0.06 . . . . . . 15 TRP NE1 . 7118 1 170 . 1 1 16 16 LEU H H 1 8.204 0.015 . . . . . . 16 LEU H . 7118 1 171 . 1 1 16 16 LEU HA H 1 3.251 0.005 . . . . . . 16 LEU HA . 7118 1 172 . 1 1 16 16 LEU HB2 H 1 1.905 0.001 . . . . . . 16 LEU HB2 . 7118 1 173 . 1 1 16 16 LEU HB3 H 1 0.844 0.001 . . . . . . 16 LEU HB3 . 7118 1 174 . 1 1 16 16 LEU HG H 1 1.688 0.004 . . . . . . 16 LEU HG . 7118 1 175 . 1 1 16 16 LEU HD11 H 1 -0.002 0.001 . . . . . . 16 LEU HD1 . 7118 1 176 . 1 1 16 16 LEU HD12 H 1 -0.002 0.001 . . . . . . 16 LEU HD1 . 7118 1 177 . 1 1 16 16 LEU HD13 H 1 -0.002 0.001 . . . . . . 16 LEU HD1 . 7118 1 178 . 1 1 16 16 LEU HD21 H 1 0.218 0.001 . . . . . . 16 LEU HD2 . 7118 1 179 . 1 1 16 16 LEU HD22 H 1 0.218 0.001 . . . . . . 16 LEU HD2 . 7118 1 180 . 1 1 16 16 LEU HD23 H 1 0.218 0.001 . . . . . . 16 LEU HD2 . 7118 1 181 . 1 1 16 16 LEU C C 13 180.437 0.25 . . . . . . 16 LEU C . 7118 1 182 . 1 1 16 16 LEU CA C 13 58.093 0.25 . . . . . . 16 LEU CA . 7118 1 183 . 1 1 16 16 LEU CB C 13 41.704 0.25 . . . . . . 16 LEU CB . 7118 1 184 . 1 1 16 16 LEU CG C 13 26.761 0.25 . . . . . . 16 LEU CG . 7118 1 185 . 1 1 16 16 LEU CD1 C 13 25.314 0.25 . . . . . . 16 LEU CD1 . 7118 1 186 . 1 1 16 16 LEU CD2 C 13 22.422 0.25 . . . . . . 16 LEU CD2 . 7118 1 187 . 1 1 16 16 LEU N N 15 118.986 0.06 . . . . . . 16 LEU N . 7118 1 188 . 1 1 17 17 VAL H H 1 7.911 0.015 . . . . . . 17 VAL H . 7118 1 189 . 1 1 17 17 VAL HA H 1 3.221 0.015 . . . . . . 17 VAL HA . 7118 1 190 . 1 1 17 17 VAL HB H 1 1.879 0.001 . . . . . . 17 VAL HB . 7118 1 191 . 1 1 17 17 VAL HG11 H 1 0.837 0.008 . . . . . . 17 VAL HG1 . 7118 1 192 . 1 1 17 17 VAL HG12 H 1 0.837 0.008 . . . . . . 17 VAL HG1 . 7118 1 193 . 1 1 17 17 VAL HG13 H 1 0.837 0.008 . . . . . . 17 VAL HG1 . 7118 1 194 . 1 1 17 17 VAL HG21 H 1 0.743 0.005 . . . . . . 17 VAL HG2 . 7118 1 195 . 1 1 17 17 VAL HG22 H 1 0.743 0.005 . . . . . . 17 VAL HG2 . 7118 1 196 . 1 1 17 17 VAL HG23 H 1 0.743 0.005 . . . . . . 17 VAL HG2 . 7118 1 197 . 1 1 17 17 VAL C C 13 180.760 0.25 . . . . . . 17 VAL C . 7118 1 198 . 1 1 17 17 VAL CA C 13 66.770 0.25 . . . . . . 17 VAL CA . 7118 1 199 . 1 1 17 17 VAL CB C 13 31.581 0.25 . . . . . . 17 VAL CB . 7118 1 200 . 1 1 17 17 VAL CG1 C 13 23.145 0.25 . . . . . . 17 VAL CG1 . 7118 1 201 . 1 1 17 17 VAL CG2 C 13 20.735 0.25 . . . . . . 17 VAL CG2 . 7118 1 202 . 1 1 17 17 VAL N N 15 120.225 0.06 . . . . . . 17 VAL N . 7118 1 203 . 1 1 18 18 GLY H H 1 7.869 0.015 . . . . . . 18 GLY H . 7118 1 204 . 1 1 18 18 GLY HA2 H 1 3.768 0.009 . . . . . . 18 GLY HA2 . 7118 1 205 . 1 1 18 18 GLY HA3 H 1 3.667 0.006 . . . . . . 18 GLY HA3 . 7118 1 206 . 1 1 18 18 GLY C C 13 175.324 0.25 . . . . . . 18 GLY C . 7118 1 207 . 1 1 18 18 GLY CA C 13 46.765 0.25 . . . . . . 18 GLY CA . 7118 1 208 . 1 1 18 18 GLY N N 15 109.961 0.06 . . . . . . 18 GLY N . 7118 1 209 . 1 1 19 19 LEU H H 1 6.809 0.015 . . . . . . 19 LEU H . 7118 1 210 . 1 1 19 19 LEU HA H 1 4.069 0.005 . . . . . . 19 LEU HA . 7118 1 211 . 1 1 19 19 LEU HB2 H 1 1.266 0.015 . . . . . . 19 LEU HB2 . 7118 1 212 . 1 1 19 19 LEU HB3 H 1 1.119 0.003 . . . . . . 19 LEU HB3 . 7118 1 213 . 1 1 19 19 LEU HG H 1 0.906 0.004 . . . . . . 19 LEU HG . 7118 1 214 . 1 1 19 19 LEU HD11 H 1 -0.438 0.002 . . . . . . 19 LEU HD1 . 7118 1 215 . 1 1 19 19 LEU HD12 H 1 -0.438 0.002 . . . . . . 19 LEU HD1 . 7118 1 216 . 1 1 19 19 LEU HD13 H 1 -0.438 0.002 . . . . . . 19 LEU HD1 . 7118 1 217 . 1 1 19 19 LEU HD21 H 1 0.373 0.007 . . . . . . 19 LEU HD2 . 7118 1 218 . 1 1 19 19 LEU HD22 H 1 0.373 0.007 . . . . . . 19 LEU HD2 . 7118 1 219 . 1 1 19 19 LEU HD23 H 1 0.373 0.007 . . . . . . 19 LEU HD2 . 7118 1 220 . 1 1 19 19 LEU C C 13 175.989 0.25 . . . . . . 19 LEU C . 7118 1 221 . 1 1 19 19 LEU CA C 13 53.996 0.25 . . . . . . 19 LEU CA . 7118 1 222 . 1 1 19 19 LEU CB C 13 42.427 0.25 . . . . . . 19 LEU CB . 7118 1 223 . 1 1 19 19 LEU CG C 13 25.796 0.25 . . . . . . 19 LEU CG . 7118 1 224 . 1 1 19 19 LEU CD1 C 13 24.591 0.25 . . . . . . 19 LEU CD1 . 7118 1 225 . 1 1 19 19 LEU CD2 C 13 22.663 0.25 . . . . . . 19 LEU CD2 . 7118 1 226 . 1 1 19 19 LEU N N 15 120.112 0.06 . . . . . . 19 LEU N . 7118 1 227 . 1 1 20 20 SER H H 1 7.967 0.015 . . . . . . 20 SER H . 7118 1 228 . 1 1 20 20 SER HA H 1 4.132 0.007 . . . . . . 20 SER HA . 7118 1 229 . 1 1 20 20 SER HB2 H 1 4.081 0.005 . . . . . . 20 SER HB2 . 7118 1 230 . 1 1 20 20 SER HB3 H 1 3.965 0.011 . . . . . . 20 SER HB3 . 7118 1 231 . 1 1 20 20 SER C C 13 174.399 0.25 . . . . . . 20 SER C . 7118 1 232 . 1 1 20 20 SER CA C 13 59.298 0.25 . . . . . . 20 SER CA . 7118 1 233 . 1 1 20 20 SER CB C 13 61.226 0.25 . . . . . . 20 SER CB . 7118 1 234 . 1 1 20 20 SER N N 15 111.848 0.06 . . . . . . 20 SER N . 7118 1 235 . 1 1 21 21 LEU H H 1 7.856 0.015 . . . . . . 21 LEU H . 7118 1 236 . 1 1 21 21 LEU HA H 1 4.709 0.023 . . . . . . 21 LEU HA . 7118 1 237 . 1 1 21 21 LEU HB2 H 1 1.594 0.008 . . . . . . 21 LEU HB2 . 7118 1 238 . 1 1 21 21 LEU HB3 H 1 1.332 0.033 . . . . . . 21 LEU HB3 . 7118 1 239 . 1 1 21 21 LEU HG H 1 0.418 0.003 . . . . . . 21 LEU HG . 7118 1 240 . 1 1 21 21 LEU HD11 H 1 1.296 0.002 . . . . . . 21 LEU HD1 . 7118 1 241 . 1 1 21 21 LEU HD12 H 1 1.296 0.002 . . . . . . 21 LEU HD1 . 7118 1 242 . 1 1 21 21 LEU HD13 H 1 1.296 0.002 . . . . . . 21 LEU HD1 . 7118 1 243 . 1 1 21 21 LEU HD21 H 1 0.687 0.003 . . . . . . 21 LEU HD2 . 7118 1 244 . 1 1 21 21 LEU HD22 H 1 0.687 0.003 . . . . . . 21 LEU HD2 . 7118 1 245 . 1 1 21 21 LEU HD23 H 1 0.687 0.003 . . . . . . 21 LEU HD2 . 7118 1 246 . 1 1 21 21 LEU C C 13 176.452 0.25 . . . . . . 21 LEU C . 7118 1 247 . 1 1 21 21 LEU CA C 13 52.550 0.25 . . . . . . 21 LEU CA . 7118 1 248 . 1 1 21 21 LEU CB C 13 40.740 0.25 . . . . . . 21 LEU CB . 7118 1 249 . 1 1 21 21 LEU CG C 13 27.002 0.25 . . . . . . 21 LEU CG . 7118 1 250 . 1 1 21 21 LEU CD1 C 13 25.073 0.25 . . . . . . 21 LEU CD1 . 7118 1 251 . 1 1 21 21 LEU CD2 C 13 22.663 0.25 . . . . . . 21 LEU CD2 . 7118 1 252 . 1 1 21 21 LEU N N 15 120.284 0.06 . . . . . . 21 LEU N . 7118 1 253 . 1 1 22 22 ASP H H 1 8.821 0.015 . . . . . . 22 ASP H . 7118 1 254 . 1 1 22 22 ASP HA H 1 3.717 0.007 . . . . . . 22 ASP HA . 7118 1 255 . 1 1 22 22 ASP HB2 H 1 2.345 0.002 . . . . . . 22 ASP HB . 7118 1 256 . 1 1 22 22 ASP HB3 H 1 2.345 0.002 . . . . . . 22 ASP HB . 7118 1 257 . 1 1 22 22 ASP C C 13 178.005 0.25 . . . . . . 22 ASP C . 7118 1 258 . 1 1 22 22 ASP CA C 13 55.924 0.25 . . . . . . 22 ASP CA . 7118 1 259 . 1 1 22 22 ASP CB C 13 40.017 0.25 . . . . . . 22 ASP CB . 7118 1 260 . 1 1 22 22 ASP N N 15 115.093 0.06 . . . . . . 22 ASP N . 7118 1 261 . 1 1 23 23 GLN H H 1 9.321 0.015 . . . . . . 23 GLN H . 7118 1 262 . 1 1 23 23 GLN HA H 1 3.975 0.015 . . . . . . 23 GLN HA . 7118 1 263 . 1 1 23 23 GLN HB2 H 1 1.737 0.006 . . . . . . 23 GLN HB2 . 7118 1 264 . 1 1 23 23 GLN HB3 H 1 1.436 0.002 . . . . . . 23 GLN HB3 . 7118 1 265 . 1 1 23 23 GLN HG2 H 1 1.369 0.015 . . . . . . 23 GLN HG2 . 7118 1 266 . 1 1 23 23 GLN HG3 H 1 0.954 0.015 . . . . . . 23 GLN HG3 . 7118 1 267 . 1 1 23 23 GLN HE21 H 1 7.106 0.015 . . . . . . 23 GLN HE21 . 7118 1 268 . 1 1 23 23 GLN HE22 H 1 6.868 0.015 . . . . . . 23 GLN HE22 . 7118 1 269 . 1 1 23 23 GLN C C 13 176.526 0.25 . . . . . . 23 GLN C . 7118 1 270 . 1 1 23 23 GLN CA C 13 57.852 0.25 . . . . . . 23 GLN CA . 7118 1 271 . 1 1 23 23 GLN CB C 13 27.243 0.25 . . . . . . 23 GLN CB . 7118 1 272 . 1 1 23 23 GLN CG C 13 31.822 0.25 . . . . . . 23 GLN CG . 7118 1 273 . 1 1 23 23 GLN N N 15 117.277 0.06 . . . . . . 23 GLN N . 7118 1 274 . 1 1 23 23 GLN NE2 N 15 112.807 0.06 . . . . . . 23 GLN NE2 . 7118 1 275 . 1 1 24 24 TYR H H 1 7.417 0.015 . . . . . . 24 TYR H . 7118 1 276 . 1 1 24 24 TYR HA H 1 4.726 0.003 . . . . . . 24 TYR HA . 7118 1 277 . 1 1 24 24 TYR HB2 H 1 3.345 0.015 . . . . . . 24 TYR HB2 . 7118 1 278 . 1 1 24 24 TYR HB3 H 1 2.231 0.010 . . . . . . 24 TYR HB3 . 7118 1 279 . 1 1 24 24 TYR HD1 H 1 7.150 0.015 . . . . . . 24 TYR HD . 7118 1 280 . 1 1 24 24 TYR HD2 H 1 7.150 0.015 . . . . . . 24 TYR HD . 7118 1 281 . 1 1 24 24 TYR HE1 H 1 6.786 0.015 . . . . . . 24 TYR HE . 7118 1 282 . 1 1 24 24 TYR HE2 H 1 6.786 0.015 . . . . . . 24 TYR HE . 7118 1 283 . 1 1 24 24 TYR C C 13 174.861 0.25 . . . . . . 24 TYR C . 7118 1 284 . 1 1 24 24 TYR CA C 13 58.093 0.25 . . . . . . 24 TYR CA . 7118 1 285 . 1 1 24 24 TYR CB C 13 38.570 0.25 . . . . . . 24 TYR CB . 7118 1 286 . 1 1 24 24 TYR N N 15 118.336 0.06 . . . . . . 24 TYR N . 7118 1 287 . 1 1 25 25 VAL H H 1 7.332 0.015 . . . . . . 25 VAL H . 7118 1 288 . 1 1 25 25 VAL HA H 1 3.367 0.001 . . . . . . 25 VAL HA . 7118 1 289 . 1 1 25 25 VAL HB H 1 2.000 0.001 . . . . . . 25 VAL HB . 7118 1 290 . 1 1 25 25 VAL HG11 H 1 0.979 0.003 . . . . . . 25 VAL HG1 . 7118 1 291 . 1 1 25 25 VAL HG12 H 1 0.979 0.003 . . . . . . 25 VAL HG1 . 7118 1 292 . 1 1 25 25 VAL HG13 H 1 0.979 0.003 . . . . . . 25 VAL HG1 . 7118 1 293 . 1 1 25 25 VAL HG21 H 1 0.813 0.008 . . . . . . 25 VAL HG2 . 7118 1 294 . 1 1 25 25 VAL HG22 H 1 0.813 0.008 . . . . . . 25 VAL HG2 . 7118 1 295 . 1 1 25 25 VAL HG23 H 1 0.813 0.008 . . . . . . 25 VAL HG2 . 7118 1 296 . 1 1 25 25 VAL C C 13 179.299 0.25 . . . . . . 25 VAL C . 7118 1 297 . 1 1 25 25 VAL CA C 13 66.288 0.25 . . . . . . 25 VAL CA . 7118 1 298 . 1 1 25 25 VAL CB C 13 32.063 0.25 . . . . . . 25 VAL CB . 7118 1 299 . 1 1 25 25 VAL CG1 C 13 24.591 0.25 . . . . . . 25 VAL CG1 . 7118 1 300 . 1 1 25 25 VAL CG2 C 13 20.012 0.25 . . . . . . 25 VAL CG2 . 7118 1 301 . 1 1 25 25 VAL N N 15 119.871 0.06 . . . . . . 25 VAL N . 7118 1 302 . 1 1 26 26 SER H H 1 8.955 0.015 . . . . . . 26 SER H . 7118 1 303 . 1 1 26 26 SER HA H 1 3.850 0.015 . . . . . . 26 SER HA . 7118 1 304 . 1 1 26 26 SER HB2 H 1 4.081 0.015 . . . . . . 26 SER HB . 7118 1 305 . 1 1 26 26 SER HB3 H 1 4.081 0.015 . . . . . . 26 SER HB . 7118 1 306 . 1 1 26 26 SER C C 13 177.071 0.25 . . . . . . 26 SER C . 7118 1 307 . 1 1 26 26 SER CA C 13 62.190 0.25 . . . . . . 26 SER CA . 7118 1 308 . 1 1 26 26 SER CB C 13 62.190 0.25 . . . . . . 26 SER CB . 7118 1 309 . 1 1 26 26 SER N N 15 115.388 0.06 . . . . . . 26 SER N . 7118 1 310 . 1 1 27 27 GLU H H 1 8.528 0.015 . . . . . . 27 GLU H . 7118 1 311 . 1 1 27 27 GLU HA H 1 4.286 0.005 . . . . . . 27 GLU HA . 7118 1 312 . 1 1 27 27 GLU HB2 H 1 2.152 0.004 . . . . . . 27 GLU HB2 . 7118 1 313 . 1 1 27 27 GLU HB3 H 1 2.030 0.005 . . . . . . 27 GLU HB3 . 7118 1 314 . 1 1 27 27 GLU HG2 H 1 2.400 0.008 . . . . . . 27 GLU HG2 . 7118 1 315 . 1 1 27 27 GLU HG3 H 1 2.247 0.003 . . . . . . 27 GLU HG3 . 7118 1 316 . 1 1 27 27 GLU C C 13 178.689 0.25 . . . . . . 27 GLU C . 7118 1 317 . 1 1 27 27 GLU CA C 13 58.575 0.25 . . . . . . 27 GLU CA . 7118 1 318 . 1 1 27 27 GLU CB C 13 29.653 0.25 . . . . . . 27 GLU CB . 7118 1 319 . 1 1 27 27 GLU CG C 13 35.437 0.25 . . . . . . 27 GLU CG . 7118 1 320 . 1 1 27 27 GLU N N 15 123.764 0.06 . . . . . . 27 GLU N . 7118 1 321 . 1 1 28 28 PHE H H 1 8.381 0.015 . . . . . . 28 PHE H . 7118 1 322 . 1 1 28 28 PHE HA H 1 4.008 0.005 . . . . . . 28 PHE HA . 7118 1 323 . 1 1 28 28 PHE HB2 H 1 3.230 0.008 . . . . . . 28 PHE HB2 . 7118 1 324 . 1 1 28 28 PHE HB3 H 1 2.822 0.006 . . . . . . 28 PHE HB3 . 7118 1 325 . 1 1 28 28 PHE HD1 H 1 7.321 0.015 . . . . . . 28 PHE HD . 7118 1 326 . 1 1 28 28 PHE HD2 H 1 7.321 0.015 . . . . . . 28 PHE HD . 7118 1 327 . 1 1 28 28 PHE HE1 H 1 6.889 0.015 . . . . . . 28 PHE HE . 7118 1 328 . 1 1 28 28 PHE HE2 H 1 6.889 0.015 . . . . . . 28 PHE HE . 7118 1 329 . 1 1 28 28 PHE HZ H 1 6.784 0.015 . . . . . . 28 PHE HZ . 7118 1 330 . 1 1 28 28 PHE C C 13 177.755 0.25 . . . . . . 28 PHE C . 7118 1 331 . 1 1 28 28 PHE CA C 13 61.467 0.25 . . . . . . 28 PHE CA . 7118 1 332 . 1 1 28 28 PHE CB C 13 38.811 0.25 . . . . . . 28 PHE CB . 7118 1 333 . 1 1 28 28 PHE N N 15 119.282 0.06 . . . . . . 28 PHE N . 7118 1 334 . 1 1 29 29 SER H H 1 8.162 0.015 . . . . . . 29 SER H . 7118 1 335 . 1 1 29 29 SER HA H 1 4.175 0.002 . . . . . . 29 SER HA . 7118 1 336 . 1 1 29 29 SER HB2 H 1 3.817 0.006 . . . . . . 29 SER HB2 . 7118 1 337 . 1 1 29 29 SER HB3 H 1 3.776 0.003 . . . . . . 29 SER HB3 . 7118 1 338 . 1 1 29 29 SER C C 13 178.754 0.25 . . . . . . 29 SER C . 7118 1 339 . 1 1 29 29 SER CA C 13 60.985 0.25 . . . . . . 29 SER CA . 7118 1 340 . 1 1 29 29 SER CB C 13 62.431 0.25 . . . . . . 29 SER CB . 7118 1 341 . 1 1 29 29 SER N N 15 112.320 0.06 . . . . . . 29 SER N . 7118 1 342 . 1 1 30 30 ALA H H 1 8.474 0.015 . . . . . . 30 ALA H . 7118 1 343 . 1 1 30 30 ALA HA H 1 4.004 0.002 . . . . . . 30 ALA HA . 7118 1 344 . 1 1 30 30 ALA HB1 H 1 1.418 0.002 . . . . . . 30 ALA HB . 7118 1 345 . 1 1 30 30 ALA HB2 H 1 1.418 0.002 . . . . . . 30 ALA HB . 7118 1 346 . 1 1 30 30 ALA HB3 H 1 1.418 0.002 . . . . . . 30 ALA HB . 7118 1 347 . 1 1 30 30 ALA C C 13 179.808 0.25 . . . . . . 30 ALA C . 7118 1 348 . 1 1 30 30 ALA CA C 13 54.960 0.25 . . . . . . 30 ALA CA . 7118 1 349 . 1 1 30 30 ALA CB C 13 18.325 0.25 . . . . . . 30 ALA CB . 7118 1 350 . 1 1 30 30 ALA N N 15 126.418 0.06 . . . . . . 30 ALA N . 7118 1 351 . 1 1 31 31 GLN H H 1 7.509 0.015 . . . . . . 31 GLN H . 7118 1 352 . 1 1 31 31 GLN HA H 1 4.203 0.015 . . . . . . 31 GLN HA . 7118 1 353 . 1 1 31 31 GLN HB2 H 1 2.319 0.015 . . . . . . 31 GLN HB2 . 7118 1 354 . 1 1 31 31 GLN HB3 H 1 1.441 0.001 . . . . . . 31 GLN HB3 . 7118 1 355 . 1 1 31 31 GLN HG2 H 1 2.377 0.009 . . . . . . 31 GLN HG2 . 7118 1 356 . 1 1 31 31 GLN HG3 H 1 2.199 0.002 . . . . . . 31 GLN HG3 . 7118 1 357 . 1 1 31 31 GLN HE21 H 1 8.168 0.015 . . . . . . 31 GLN HE21 . 7118 1 358 . 1 1 31 31 GLN HE22 H 1 6.355 0.015 . . . . . . 31 GLN HE22 . 7118 1 359 . 1 1 31 31 GLN C C 13 174.195 0.25 . . . . . . 31 GLN C . 7118 1 360 . 1 1 31 31 GLN CA C 13 55.201 0.25 . . . . . . 31 GLN CA . 7118 1 361 . 1 1 31 31 GLN CB C 13 26.761 0.25 . . . . . . 31 GLN CB . 7118 1 362 . 1 1 31 31 GLN CG C 13 33.509 0.25 . . . . . . 31 GLN CG . 7118 1 363 . 1 1 31 31 GLN N N 15 112.319 0.06 . . . . . . 31 GLN N . 7118 1 364 . 1 1 31 31 GLN NE2 N 15 113.338 0.06 . . . . . . 31 GLN NE2 . 7118 1 365 . 1 1 32 32 ASN H H 1 7.991 0.015 . . . . . . 32 ASN H . 7118 1 366 . 1 1 32 32 ASN HA H 1 4.032 0.005 . . . . . . 32 ASN HA . 7118 1 367 . 1 1 32 32 ASN HB2 H 1 2.808 0.002 . . . . . . 32 ASN HB2 . 7118 1 368 . 1 1 32 32 ASN HB3 H 1 2.616 0.005 . . . . . . 32 ASN HB3 . 7118 1 369 . 1 1 32 32 ASN HD21 H 1 7.441 0.015 . . . . . . 32 ASN HD21 . 7118 1 370 . 1 1 32 32 ASN HD22 H 1 6.679 0.015 . . . . . . 32 ASN HD22 . 7118 1 371 . 1 1 32 32 ASN C C 13 174.390 0.25 . . . . . . 32 ASN C . 7118 1 372 . 1 1 32 32 ASN CA C 13 54.237 0.25 . . . . . . 32 ASN CA . 7118 1 373 . 1 1 32 32 ASN CB C 13 37.124 0.25 . . . . . . 32 ASN CB . 7118 1 374 . 1 1 32 32 ASN N N 15 116.155 0.06 . . . . . . 32 ASN N . 7118 1 375 . 1 1 32 32 ASN ND2 N 15 113.987 0.06 . . . . . . 32 ASN ND2 . 7118 1 376 . 1 1 33 33 ILE H H 1 8.186 0.015 . . . . . . 33 ILE H . 7118 1 377 . 1 1 33 33 ILE HA H 1 3.815 0.008 . . . . . . 33 ILE HA . 7118 1 378 . 1 1 33 33 ILE HB H 1 2.177 0.005 . . . . . . 33 ILE HB . 7118 1 379 . 1 1 33 33 ILE HG12 H 1 1.520 0.007 . . . . . . 33 ILE HG12 . 7118 1 380 . 1 1 33 33 ILE HG13 H 1 0.753 0.021 . . . . . . 33 ILE HG13 . 7118 1 381 . 1 1 33 33 ILE HG21 H 1 0.777 0.015 . . . . . . 33 ILE HG2 . 7118 1 382 . 1 1 33 33 ILE HG22 H 1 0.777 0.015 . . . . . . 33 ILE HG2 . 7118 1 383 . 1 1 33 33 ILE HG23 H 1 0.777 0.015 . . . . . . 33 ILE HG2 . 7118 1 384 . 1 1 33 33 ILE HD11 H 1 0.368 0.001 . . . . . . 33 ILE HD1 . 7118 1 385 . 1 1 33 33 ILE HD12 H 1 0.368 0.001 . . . . . . 33 ILE HD1 . 7118 1 386 . 1 1 33 33 ILE HD13 H 1 0.368 0.001 . . . . . . 33 ILE HD1 . 7118 1 387 . 1 1 33 33 ILE C C 13 173.382 0.25 . . . . . . 33 ILE C . 7118 1 388 . 1 1 33 33 ILE CA C 13 60.021 0.25 . . . . . . 33 ILE CA . 7118 1 389 . 1 1 33 33 ILE CB C 13 33.991 0.25 . . . . . . 33 ILE CB . 7118 1 390 . 1 1 33 33 ILE CG1 C 13 25.796 0.25 . . . . . . 33 ILE CG1 . 7118 1 391 . 1 1 33 33 ILE CG2 C 13 17.361 0.25 . . . . . . 33 ILE CG2 . 7118 1 392 . 1 1 33 33 ILE CD1 C 13 8.684 0.25 . . . . . . 33 ILE CD1 . 7118 1 393 . 1 1 33 33 ILE N N 15 116.627 0.06 . . . . . . 33 ILE N . 7118 1 394 . 1 1 34 34 SER H H 1 7.912 0.015 . . . . . . 34 SER H . 7118 1 395 . 1 1 34 34 SER HA H 1 4.346 0.002 . . . . . . 34 SER HA . 7118 1 396 . 1 1 34 34 SER HB2 H 1 4.499 0.008 . . . . . . 34 SER HB2 . 7118 1 397 . 1 1 34 34 SER HB3 H 1 3.879 0.002 . . . . . . 34 SER HB3 . 7118 1 398 . 1 1 34 34 SER C C 13 175.397 0.25 . . . . . . 34 SER C . 7118 1 399 . 1 1 34 34 SER CA C 13 56.888 0.25 . . . . . . 34 SER CA . 7118 1 400 . 1 1 34 34 SER CB C 13 65.323 0.25 . . . . . . 34 SER CB . 7118 1 401 . 1 1 34 34 SER N N 15 123.764 0.06 . . . . . . 34 SER N . 7118 1 402 . 1 1 35 35 GLY H H 1 8.772 0.015 . . . . . . 35 GLY H . 7118 1 403 . 1 1 35 35 GLY HA2 H 1 4.450 0.007 . . . . . . 35 GLY HA2 . 7118 1 404 . 1 1 35 35 GLY HA3 H 1 3.204 0.007 . . . . . . 35 GLY HA3 . 7118 1 405 . 1 1 35 35 GLY C C 13 174.436 0.25 . . . . . . 35 GLY C . 7118 1 406 . 1 1 35 35 GLY CA C 13 48.211 0.25 . . . . . . 35 GLY CA . 7118 1 407 . 1 1 35 35 GLY N N 15 108.722 0.06 . . . . . . 35 GLY N . 7118 1 408 . 1 1 36 36 GLU H H 1 7.966 0.015 . . . . . . 36 GLU H . 7118 1 409 . 1 1 36 36 GLU HA H 1 3.716 0.006 . . . . . . 36 GLU HA . 7118 1 410 . 1 1 36 36 GLU HB2 H 1 1.914 0.011 . . . . . . 36 GLU HB2 . 7118 1 411 . 1 1 36 36 GLU HB3 H 1 1.691 0.006 . . . . . . 36 GLU HB3 . 7118 1 412 . 1 1 36 36 GLU HG2 H 1 2.125 0.002 . . . . . . 36 GLU HG2 . 7118 1 413 . 1 1 36 36 GLU HG3 H 1 2.006 0.005 . . . . . . 36 GLU HG3 . 7118 1 414 . 1 1 36 36 GLU C C 13 178.837 0.25 . . . . . . 36 GLU C . 7118 1 415 . 1 1 36 36 GLU CA C 13 59.298 0.25 . . . . . . 36 GLU CA . 7118 1 416 . 1 1 36 36 GLU CB C 13 29.412 0.25 . . . . . . 36 GLU CB . 7118 1 417 . 1 1 36 36 GLU CG C 13 35.678 0.25 . . . . . . 36 GLU CG . 7118 1 418 . 1 1 36 36 GLU N N 15 118.336 0.06 . . . . . . 36 GLU N . 7118 1 419 . 1 1 37 37 GLN H H 1 6.825 0.015 . . . . . . 37 GLN H . 7118 1 420 . 1 1 37 37 GLN HA H 1 3.921 0.006 . . . . . . 37 GLN HA . 7118 1 421 . 1 1 37 37 GLN HB2 H 1 2.173 0.001 . . . . . . 37 GLN HB2 . 7118 1 422 . 1 1 37 37 GLN HB3 H 1 1.908 0.004 . . . . . . 37 GLN HB3 . 7118 1 423 . 1 1 37 37 GLN HG2 H 1 2.445 0.005 . . . . . . 37 GLN HG2 . 7118 1 424 . 1 1 37 37 GLN HG3 H 1 2.303 0.015 . . . . . . 37 GLN HG3 . 7118 1 425 . 1 1 37 37 GLN HE21 H 1 7.570 0.015 . . . . . . 37 GLN HE21 . 7118 1 426 . 1 1 37 37 GLN HE22 H 1 6.965 0.015 . . . . . . 37 GLN HE22 . 7118 1 427 . 1 1 37 37 GLN C C 13 179.151 0.25 . . . . . . 37 GLN C . 7118 1 428 . 1 1 37 37 GLN CA C 13 58.816 0.25 . . . . . . 37 GLN CA . 7118 1 429 . 1 1 37 37 GLN CB C 13 28.930 0.25 . . . . . . 37 GLN CB . 7118 1 430 . 1 1 37 37 GLN CG C 13 34.473 0.25 . . . . . . 37 GLN CG . 7118 1 431 . 1 1 37 37 GLN N N 15 114.975 0.06 . . . . . . 37 GLN N . 7118 1 432 . 1 1 37 37 GLN NE2 N 15 113.633 0.06 . . . . . . 37 GLN NE2 . 7118 1 433 . 1 1 38 38 LEU H H 1 8.485 0.015 . . . . . . 38 LEU H . 7118 1 434 . 1 1 38 38 LEU HA H 1 3.591 0.003 . . . . . . 38 LEU HA . 7118 1 435 . 1 1 38 38 LEU HB2 H 1 1.731 0.001 . . . . . . 38 LEU HB2 . 7118 1 436 . 1 1 38 38 LEU HB3 H 1 1.222 0.002 . . . . . . 38 LEU HB3 . 7118 1 437 . 1 1 38 38 LEU HG H 1 1.128 0.004 . . . . . . 38 LEU HG . 7118 1 438 . 1 1 38 38 LEU HD11 H 1 0.099 0.002 . . . . . . 38 LEU HD1 . 7118 1 439 . 1 1 38 38 LEU HD12 H 1 0.099 0.002 . . . . . . 38 LEU HD1 . 7118 1 440 . 1 1 38 38 LEU HD13 H 1 0.099 0.002 . . . . . . 38 LEU HD1 . 7118 1 441 . 1 1 38 38 LEU HD21 H 1 0.730 0.001 . . . . . . 38 LEU HD2 . 7118 1 442 . 1 1 38 38 LEU HD22 H 1 0.730 0.001 . . . . . . 38 LEU HD2 . 7118 1 443 . 1 1 38 38 LEU HD23 H 1 0.730 0.001 . . . . . . 38 LEU HD2 . 7118 1 444 . 1 1 38 38 LEU C C 13 177.478 0.25 . . . . . . 38 LEU C . 7118 1 445 . 1 1 38 38 LEU CA C 13 57.852 0.25 . . . . . . 38 LEU CA . 7118 1 446 . 1 1 38 38 LEU CB C 13 42.668 0.25 . . . . . . 38 LEU CB . 7118 1 447 . 1 1 38 38 LEU CG C 13 26.279 0.25 . . . . . . 38 LEU CG . 7118 1 448 . 1 1 38 38 LEU CD1 C 13 25.314 0.25 . . . . . . 38 LEU CD1 . 7118 1 449 . 1 1 38 38 LEU CD2 C 13 23.627 0.25 . . . . . . 38 LEU CD2 . 7118 1 450 . 1 1 38 38 LEU N N 15 123.293 0.06 . . . . . . 38 LEU N . 7118 1 451 . 1 1 39 39 LEU H H 1 6.954 0.015 . . . . . . 39 LEU H . 7118 1 452 . 1 1 39 39 LEU HA H 1 3.669 0.008 . . . . . . 39 LEU HA . 7118 1 453 . 1 1 39 39 LEU HB2 H 1 1.490 0.002 . . . . . . 39 LEU HB2 . 7118 1 454 . 1 1 39 39 LEU HB3 H 1 1.298 0.004 . . . . . . 39 LEU HB3 . 7118 1 455 . 1 1 39 39 LEU HG H 1 1.393 0.002 . . . . . . 39 LEU HG . 7118 1 456 . 1 1 39 39 LEU HD11 H 1 0.494 0.006 . . . . . . 39 LEU HD1 . 7118 1 457 . 1 1 39 39 LEU HD12 H 1 0.494 0.006 . . . . . . 39 LEU HD1 . 7118 1 458 . 1 1 39 39 LEU HD13 H 1 0.494 0.006 . . . . . . 39 LEU HD1 . 7118 1 459 . 1 1 39 39 LEU HD21 H 1 0.441 0.002 . . . . . . 39 LEU HD2 . 7118 1 460 . 1 1 39 39 LEU HD22 H 1 0.441 0.002 . . . . . . 39 LEU HD2 . 7118 1 461 . 1 1 39 39 LEU HD23 H 1 0.441 0.002 . . . . . . 39 LEU HD2 . 7118 1 462 . 1 1 39 39 LEU C C 13 177.274 0.25 . . . . . . 39 LEU C . 7118 1 463 . 1 1 39 39 LEU CA C 13 56.406 0.25 . . . . . . 39 LEU CA . 7118 1 464 . 1 1 39 39 LEU CB C 13 42.186 0.25 . . . . . . 39 LEU CB . 7118 1 465 . 1 1 39 39 LEU CG C 13 26.520 0.25 . . . . . . 39 LEU CG . 7118 1 466 . 1 1 39 39 LEU CD1 C 13 25.314 0.25 . . . . . . 39 LEU CD1 . 7118 1 467 . 1 1 39 39 LEU CD2 C 13 22.422 0.25 . . . . . . 39 LEU CD2 . 7118 1 468 . 1 1 39 39 LEU N N 15 111.612 0.06 . . . . . . 39 LEU N . 7118 1 469 . 1 1 40 40 GLN H H 1 7.161 0.015 . . . . . . 40 GLN H . 7118 1 470 . 1 1 40 40 GLN HA H 1 4.324 0.004 . . . . . . 40 GLN HA . 7118 1 471 . 1 1 40 40 GLN HB2 H 1 2.160 0.002 . . . . . . 40 GLN HB2 . 7118 1 472 . 1 1 40 40 GLN HB3 H 1 1.731 0.002 . . . . . . 40 GLN HB3 . 7118 1 473 . 1 1 40 40 GLN HG2 H 1 2.278 0.008 . . . . . . 40 GLN HG2 . 7118 1 474 . 1 1 40 40 GLN HG3 H 1 2.153 0.005 . . . . . . 40 GLN HG3 . 7118 1 475 . 1 1 40 40 GLN HE21 H 1 7.277 0.015 . . . . . . 40 GLN HE21 . 7118 1 476 . 1 1 40 40 GLN HE22 H 1 6.752 0.015 . . . . . . 40 GLN HE22 . 7118 1 477 . 1 1 40 40 GLN C C 13 176.193 0.25 . . . . . . 40 GLN C . 7118 1 478 . 1 1 40 40 GLN CA C 13 54.237 0.25 . . . . . . 40 GLN CA . 7118 1 479 . 1 1 40 40 GLN CB C 13 29.412 0.25 . . . . . . 40 GLN CB . 7118 1 480 . 1 1 40 40 GLN CG C 13 33.268 0.25 . . . . . . 40 GLN CG . 7118 1 481 . 1 1 40 40 GLN N N 15 114.326 0.06 . . . . . . 40 GLN N . 7118 1 482 . 1 1 40 40 GLN NE2 N 15 112.188 0.06 . . . . . . 40 GLN NE2 . 7118 1 483 . 1 1 41 41 LEU H H 1 7.136 0.015 . . . . . . 41 LEU H . 7118 1 484 . 1 1 41 41 LEU HA H 1 3.855 0.001 . . . . . . 41 LEU HA . 7118 1 485 . 1 1 41 41 LEU HB2 H 1 1.808 0.002 . . . . . . 41 LEU HB2 . 7118 1 486 . 1 1 41 41 LEU HB3 H 1 0.951 0.002 . . . . . . 41 LEU HB3 . 7118 1 487 . 1 1 41 41 LEU HG H 1 2.105 0.006 . . . . . . 41 LEU HG . 7118 1 488 . 1 1 41 41 LEU HD11 H 1 0.732 0.015 . . . . . . 41 LEU HD1 . 7118 1 489 . 1 1 41 41 LEU HD12 H 1 0.732 0.015 . . . . . . 41 LEU HD1 . 7118 1 490 . 1 1 41 41 LEU HD13 H 1 0.732 0.015 . . . . . . 41 LEU HD1 . 7118 1 491 . 1 1 41 41 LEU HD21 H 1 0.488 0.015 . . . . . . 41 LEU HD2 . 7118 1 492 . 1 1 41 41 LEU HD22 H 1 0.488 0.015 . . . . . . 41 LEU HD2 . 7118 1 493 . 1 1 41 41 LEU HD23 H 1 0.488 0.015 . . . . . . 41 LEU HD2 . 7118 1 494 . 1 1 41 41 LEU C C 13 175.250 0.25 . . . . . . 41 LEU C . 7118 1 495 . 1 1 41 41 LEU CA C 13 56.647 0.25 . . . . . . 41 LEU CA . 7118 1 496 . 1 1 41 41 LEU CB C 13 42.186 0.25 . . . . . . 41 LEU CB . 7118 1 497 . 1 1 41 41 LEU CG C 13 25.555 0.25 . . . . . . 41 LEU CG . 7118 1 498 . 1 1 41 41 LEU CD1 C 13 27.243 0.25 . . . . . . 41 LEU CD1 . 7118 1 499 . 1 1 41 41 LEU CD2 C 13 23.627 0.25 . . . . . . 41 LEU CD2 . 7118 1 500 . 1 1 41 41 LEU N N 15 119.399 0.06 . . . . . . 41 LEU N . 7118 1 501 . 1 1 42 42 ASP H H 1 6.855 0.015 . . . . . . 42 ASP H . 7118 1 502 . 1 1 42 42 ASP HA H 1 4.544 0.004 . . . . . . 42 ASP HA . 7118 1 503 . 1 1 42 42 ASP HB2 H 1 3.006 0.003 . . . . . . 42 ASP HB2 . 7118 1 504 . 1 1 42 42 ASP HB3 H 1 2.615 0.003 . . . . . . 42 ASP HB3 . 7118 1 505 . 1 1 42 42 ASP C C 13 175.823 0.25 . . . . . . 42 ASP C . 7118 1 506 . 1 1 42 42 ASP CA C 13 51.344 0.25 . . . . . . 42 ASP CA . 7118 1 507 . 1 1 42 42 ASP CB C 13 42.186 0.25 . . . . . . 42 ASP CB . 7118 1 508 . 1 1 42 42 ASP N N 15 119.814 0.06 . . . . . . 42 ASP N . 7118 1 509 . 1 1 43 43 GLY H H 1 8.973 0.015 . . . . . . 43 GLY H . 7118 1 510 . 1 1 43 43 GLY HA2 H 1 4.078 0.001 . . . . . . 43 GLY HA2 . 7118 1 511 . 1 1 43 43 GLY HA3 H 1 3.487 0.015 . . . . . . 43 GLY HA3 . 7118 1 512 . 1 1 43 43 GLY C C 13 175.601 0.25 . . . . . . 43 GLY C . 7118 1 513 . 1 1 43 43 GLY CA C 13 48.211 0.25 . . . . . . 43 GLY CA . 7118 1 514 . 1 1 43 43 GLY N N 15 106.648 0.06 . . . . . . 43 GLY N . 7118 1 515 . 1 1 44 44 ASN H H 1 8.003 0.015 . . . . . . 44 ASN H . 7118 1 516 . 1 1 44 44 ASN HA H 1 4.264 0.005 . . . . . . 44 ASN HA . 7118 1 517 . 1 1 44 44 ASN HB2 H 1 2.805 0.001 . . . . . . 44 ASN HB2 . 7118 1 518 . 1 1 44 44 ASN HB3 H 1 2.607 0.005 . . . . . . 44 ASN HB3 . 7118 1 519 . 1 1 44 44 ASN HD21 H 1 7.716 0.015 . . . . . . 44 ASN HD21 . 7118 1 520 . 1 1 44 44 ASN HD22 H 1 6.917 0.015 . . . . . . 44 ASN HD22 . 7118 1 521 . 1 1 44 44 ASN C C 13 178.874 0.25 . . . . . . 44 ASN C . 7118 1 522 . 1 1 44 44 ASN CA C 13 56.165 0.25 . . . . . . 44 ASN CA . 7118 1 523 . 1 1 44 44 ASN CB C 13 37.365 0.25 . . . . . . 44 ASN CB . 7118 1 524 . 1 1 44 44 ASN N N 15 119.277 0.06 . . . . . . 44 ASN N . 7118 1 525 . 1 1 44 44 ASN ND2 N 15 114.134 0.06 . . . . . . 44 ASN ND2 . 7118 1 526 . 1 1 45 45 LYS H H 1 8.528 0.015 . . . . . . 45 LYS H . 7118 1 527 . 1 1 45 45 LYS HA H 1 3.938 0.007 . . . . . . 45 LYS HA . 7118 1 528 . 1 1 45 45 LYS HB2 H 1 1.725 0.005 . . . . . . 45 LYS HB2 . 7118 1 529 . 1 1 45 45 LYS HB3 H 1 1.559 0.003 . . . . . . 45 LYS HB3 . 7118 1 530 . 1 1 45 45 LYS HG2 H 1 1.559 0.003 . . . . . . 45 LYS HG2 . 7118 1 531 . 1 1 45 45 LYS HG3 H 1 1.319 0.002 . . . . . . 45 LYS HG3 . 7118 1 532 . 1 1 45 45 LYS HD2 H 1 1.546 0.010 . . . . . . 45 LYS HD . 7118 1 533 . 1 1 45 45 LYS HD3 H 1 1.546 0.010 . . . . . . 45 LYS HD . 7118 1 534 . 1 1 45 45 LYS HE2 H 1 2.808 0.002 . . . . . . 45 LYS HE . 7118 1 535 . 1 1 45 45 LYS HE3 H 1 2.808 0.002 . . . . . . 45 LYS HE . 7118 1 536 . 1 1 45 45 LYS C C 13 179.484 0.25 . . . . . . 45 LYS C . 7118 1 537 . 1 1 45 45 LYS CA C 13 59.057 0.25 . . . . . . 45 LYS CA . 7118 1 538 . 1 1 45 45 LYS CB C 13 33.750 0.25 . . . . . . 45 LYS CB . 7118 1 539 . 1 1 45 45 LYS CG C 13 25.796 0.25 . . . . . . 45 LYS CG . 7118 1 540 . 1 1 45 45 LYS CD C 13 29.653 0.25 . . . . . . 45 LYS CD . 7118 1 541 . 1 1 45 45 LYS CE C 13 42.186 0.25 . . . . . . 45 LYS CE . 7118 1 542 . 1 1 45 45 LYS N N 15 122.585 0.06 . . . . . . 45 LYS N . 7118 1 543 . 1 1 46 46 LEU H H 1 8.302 0.015 . . . . . . 46 LEU H . 7118 1 544 . 1 1 46 46 LEU HA H 1 3.883 0.002 . . . . . . 46 LEU HA . 7118 1 545 . 1 1 46 46 LEU HB2 H 1 1.878 0.015 . . . . . . 46 LEU HB2 . 7118 1 546 . 1 1 46 46 LEU HB3 H 1 1.439 0.002 . . . . . . 46 LEU HB3 . 7118 1 547 . 1 1 46 46 LEU HG H 1 1.711 0.002 . . . . . . 46 LEU HG . 7118 1 548 . 1 1 46 46 LEU HD11 H 1 0.692 0.007 . . . . . . 46 LEU HD1 . 7118 1 549 . 1 1 46 46 LEU HD12 H 1 0.692 0.007 . . . . . . 46 LEU HD1 . 7118 1 550 . 1 1 46 46 LEU HD13 H 1 0.692 0.007 . . . . . . 46 LEU HD1 . 7118 1 551 . 1 1 46 46 LEU HD21 H 1 0.911 0.008 . . . . . . 46 LEU HD2 . 7118 1 552 . 1 1 46 46 LEU HD22 H 1 0.911 0.008 . . . . . . 46 LEU HD2 . 7118 1 553 . 1 1 46 46 LEU HD23 H 1 0.911 0.008 . . . . . . 46 LEU HD2 . 7118 1 554 . 1 1 46 46 LEU C C 13 179.475 0.25 . . . . . . 46 LEU C . 7118 1 555 . 1 1 46 46 LEU CA C 13 58.093 0.25 . . . . . . 46 LEU CA . 7118 1 556 . 1 1 46 46 LEU CB C 13 40.499 0.25 . . . . . . 46 LEU CB . 7118 1 557 . 1 1 46 46 LEU CG C 13 27.002 0.25 . . . . . . 46 LEU CG . 7118 1 558 . 1 1 46 46 LEU CD1 C 13 25.073 0.25 . . . . . . 46 LEU CD1 . 7118 1 559 . 1 1 46 46 LEU CD2 C 13 23.386 0.25 . . . . . . 46 LEU CD2 . 7118 1 560 . 1 1 46 46 LEU N N 15 118.286 0.06 . . . . . . 46 LEU N . 7118 1 561 . 1 1 47 47 LYS H H 1 8.021 0.015 . . . . . . 47 LYS H . 7118 1 562 . 1 1 47 47 LYS HA H 1 3.498 0.008 . . . . . . 47 LYS HA . 7118 1 563 . 1 1 47 47 LYS HB2 H 1 1.732 0.002 . . . . . . 47 LYS HB . 7118 1 564 . 1 1 47 47 LYS HB3 H 1 1.732 0.002 . . . . . . 47 LYS HB . 7118 1 565 . 1 1 47 47 LYS HG2 H 1 1.401 0.009 . . . . . . 47 LYS HG2 . 7118 1 566 . 1 1 47 47 LYS HG3 H 1 1.121 0.002 . . . . . . 47 LYS HG3 . 7118 1 567 . 1 1 47 47 LYS HD2 H 1 1.479 0.010 . . . . . . 47 LYS HD . 7118 1 568 . 1 1 47 47 LYS HD3 H 1 1.479 0.010 . . . . . . 47 LYS HD . 7118 1 569 . 1 1 47 47 LYS HE2 H 1 2.683 0.002 . . . . . . 47 LYS HE . 7118 1 570 . 1 1 47 47 LYS HE3 H 1 2.683 0.002 . . . . . . 47 LYS HE . 7118 1 571 . 1 1 47 47 LYS C C 13 180.353 0.25 . . . . . . 47 LYS C . 7118 1 572 . 1 1 47 47 LYS CA C 13 60.503 0.25 . . . . . . 47 LYS CA . 7118 1 573 . 1 1 47 47 LYS CB C 13 32.304 0.25 . . . . . . 47 LYS CB . 7118 1 574 . 1 1 47 47 LYS CG C 13 26.520 0.25 . . . . . . 47 LYS CG . 7118 1 575 . 1 1 47 47 LYS CD C 13 30.135 0.25 . . . . . . 47 LYS CD . 7118 1 576 . 1 1 47 47 LYS CE C 13 41.704 0.25 . . . . . . 47 LYS CE . 7118 1 577 . 1 1 47 47 LYS N N 15 120.225 0.06 . . . . . . 47 LYS N . 7118 1 578 . 1 1 48 48 ALA H H 1 7.533 0.015 . . . . . . 48 ALA H . 7118 1 579 . 1 1 48 48 ALA HA H 1 4.032 0.005 . . . . . . 48 ALA HA . 7118 1 580 . 1 1 48 48 ALA HB1 H 1 1.375 0.007 . . . . . . 48 ALA HB . 7118 1 581 . 1 1 48 48 ALA HB2 H 1 1.375 0.007 . . . . . . 48 ALA HB . 7118 1 582 . 1 1 48 48 ALA HB3 H 1 1.375 0.007 . . . . . . 48 ALA HB . 7118 1 583 . 1 1 48 48 ALA C C 13 179.281 0.25 . . . . . . 48 ALA C . 7118 1 584 . 1 1 48 48 ALA CA C 13 54.478 0.25 . . . . . . 48 ALA CA . 7118 1 585 . 1 1 48 48 ALA CB C 13 17.843 0.25 . . . . . . 48 ALA CB . 7118 1 586 . 1 1 48 48 ALA N N 15 122.821 0.06 . . . . . . 48 ALA N . 7118 1 587 . 1 1 49 49 LEU H H 1 7.216 0.015 . . . . . . 49 LEU H . 7118 1 588 . 1 1 49 49 LEU HA H 1 4.081 0.005 . . . . . . 49 LEU HA . 7118 1 589 . 1 1 49 49 LEU HB2 H 1 1.616 0.005 . . . . . . 49 LEU HB2 . 7118 1 590 . 1 1 49 49 LEU HB3 H 1 1.533 0.004 . . . . . . 49 LEU HB3 . 7118 1 591 . 1 1 49 49 LEU HG H 1 1.342 0.001 . . . . . . 49 LEU HG . 7118 1 592 . 1 1 49 49 LEU HD11 H 1 -0.047 0.001 . . . . . . 49 LEU HD1 . 7118 1 593 . 1 1 49 49 LEU HD12 H 1 -0.047 0.001 . . . . . . 49 LEU HD1 . 7118 1 594 . 1 1 49 49 LEU HD13 H 1 -0.047 0.001 . . . . . . 49 LEU HD1 . 7118 1 595 . 1 1 49 49 LEU HD21 H 1 0.347 0.005 . . . . . . 49 LEU HD2 . 7118 1 596 . 1 1 49 49 LEU HD22 H 1 0.347 0.005 . . . . . . 49 LEU HD2 . 7118 1 597 . 1 1 49 49 LEU HD23 H 1 0.347 0.005 . . . . . . 49 LEU HD2 . 7118 1 598 . 1 1 49 49 LEU C C 13 174.852 0.25 . . . . . . 49 LEU C . 7118 1 599 . 1 1 49 49 LEU CA C 13 55.442 0.25 . . . . . . 49 LEU CA . 7118 1 600 . 1 1 49 49 LEU CB C 13 42.186 0.25 . . . . . . 49 LEU CB . 7118 1 601 . 1 1 49 49 LEU CG C 13 27.002 0.25 . . . . . . 49 LEU CG . 7118 1 602 . 1 1 49 49 LEU CD1 C 13 25.555 0.25 . . . . . . 49 LEU CD1 . 7118 1 603 . 1 1 49 49 LEU CD2 C 13 23.627 0.25 . . . . . . 49 LEU CD2 . 7118 1 604 . 1 1 49 49 LEU N N 15 119.517 0.06 . . . . . . 49 LEU N . 7118 1 605 . 1 1 50 50 GLY H H 1 7.588 0.015 . . . . . . 50 GLY H . 7118 1 606 . 1 1 50 50 GLY HA2 H 1 4.371 0.003 . . . . . . 50 GLY HA2 . 7118 1 607 . 1 1 50 50 GLY HA3 H 1 3.615 0.003 . . . . . . 50 GLY HA3 . 7118 1 608 . 1 1 50 50 GLY C C 13 174.371 0.25 . . . . . . 50 GLY C . 7118 1 609 . 1 1 50 50 GLY CA C 13 44.596 0.25 . . . . . . 50 GLY CA . 7118 1 610 . 1 1 50 50 GLY N N 15 104.061 0.06 . . . . . . 50 GLY N . 7118 1 611 . 1 1 51 51 MET H H 1 8.064 0.015 . . . . . . 51 MET H . 7118 1 612 . 1 1 51 51 MET HA H 1 4.502 0.010 . . . . . . 51 MET HA . 7118 1 613 . 1 1 51 51 MET HB2 H 1 1.881 0.002 . . . . . . 51 MET HB2 . 7118 1 614 . 1 1 51 51 MET HB3 H 1 1.646 0.011 . . . . . . 51 MET HB3 . 7118 1 615 . 1 1 51 51 MET C C 13 174.547 0.25 . . . . . . 51 MET C . 7118 1 616 . 1 1 51 51 MET CA C 13 54.237 0.25 . . . . . . 51 MET CA . 7118 1 617 . 1 1 51 51 MET CB C 13 31.340 0.25 . . . . . . 51 MET CB . 7118 1 618 . 1 1 51 51 MET N N 15 122.936 0.06 . . . . . . 51 MET N . 7118 1 619 . 1 1 52 52 THR H H 1 8.198 0.015 . . . . . . 52 THR H . 7118 1 620 . 1 1 52 52 THR HA H 1 3.745 0.001 . . . . . . 52 THR HA . 7118 1 621 . 1 1 52 52 THR HB H 1 4.181 0.008 . . . . . . 52 THR HB . 7118 1 622 . 1 1 52 52 THR HG21 H 1 1.082 0.015 . . . . . . 52 THR HG2 . 7118 1 623 . 1 1 52 52 THR HG22 H 1 1.082 0.015 . . . . . . 52 THR HG2 . 7118 1 624 . 1 1 52 52 THR HG23 H 1 1.082 0.015 . . . . . . 52 THR HG2 . 7118 1 625 . 1 1 52 52 THR C C 13 176.128 0.25 . . . . . . 52 THR C . 7118 1 626 . 1 1 52 52 THR CA C 13 63.636 0.25 . . . . . . 52 THR CA . 7118 1 627 . 1 1 52 52 THR CB C 13 68.457 0.25 . . . . . . 52 THR CB . 7118 1 628 . 1 1 52 52 THR CG2 C 13 19.380 0.25 . . . . . . 52 THR CG2 . 7118 1 629 . 1 1 52 52 THR N N 15 118.396 0.06 . . . . . . 52 THR N . 7118 1 630 . 1 1 53 53 SER H H 1 8.296 0.015 . . . . . . 53 SER H . 7118 1 631 . 1 1 53 53 SER HA H 1 4.423 0.004 . . . . . . 53 SER HA . 7118 1 632 . 1 1 53 53 SER HB2 H 1 4.078 0.001 . . . . . . 53 SER HB2 . 7118 1 633 . 1 1 53 53 SER HB3 H 1 3.687 0.002 . . . . . . 53 SER HB3 . 7118 1 634 . 1 1 53 53 SER C C 13 175.989 0.25 . . . . . . 53 SER C . 7118 1 635 . 1 1 53 53 SER CA C 13 56.888 0.25 . . . . . . 53 SER CA . 7118 1 636 . 1 1 53 53 SER CB C 13 63.395 0.25 . . . . . . 53 SER CB . 7118 1 637 . 1 1 53 53 SER N N 15 118.161 0.06 . . . . . . 53 SER N . 7118 1 638 . 1 1 54 54 SER H H 1 9.162 0.015 . . . . . . 54 SER H . 7118 1 639 . 1 1 54 54 SER HA H 1 3.827 0.015 . . . . . . 54 SER HA . 7118 1 640 . 1 1 54 54 SER C C 13 177.339 0.25 . . . . . . 54 SER C . 7118 1 641 . 1 1 54 54 SER CA C 13 62.431 0.25 . . . . . . 54 SER CA . 7118 1 642 . 1 1 54 54 SER N N 15 127.599 0.06 . . . . . . 54 SER N . 7118 1 643 . 1 1 55 55 GLN H H 1 8.332 0.015 . . . . . . 55 GLN H . 7118 1 644 . 1 1 55 55 GLN HA H 1 3.962 0.008 . . . . . . 55 GLN HA . 7118 1 645 . 1 1 55 55 GLN HB2 H 1 1.902 0.015 . . . . . . 55 GLN HB2 . 7118 1 646 . 1 1 55 55 GLN HB3 H 1 1.845 0.015 . . . . . . 55 GLN HB3 . 7118 1 647 . 1 1 55 55 GLN HG2 H 1 2.278 0.008 . . . . . . 55 GLN HG . 7118 1 648 . 1 1 55 55 GLN HG3 H 1 2.278 0.008 . . . . . . 55 GLN HG . 7118 1 649 . 1 1 55 55 GLN HE21 H 1 7.511 0.015 . . . . . . 55 GLN HE21 . 7118 1 650 . 1 1 55 55 GLN HE22 H 1 6.764 0.015 . . . . . . 55 GLN HE22 . 7118 1 651 . 1 1 55 55 GLN C C 13 178.615 0.25 . . . . . . 55 GLN C . 7118 1 652 . 1 1 55 55 GLN CA C 13 59.780 0.25 . . . . . . 55 GLN CA . 7118 1 653 . 1 1 55 55 GLN CB C 13 28.207 0.25 . . . . . . 55 GLN CB . 7118 1 654 . 1 1 55 55 GLN CG C 13 34.473 0.25 . . . . . . 55 GLN CG . 7118 1 655 . 1 1 55 55 GLN N N 15 123.115 0.06 . . . . . . 55 GLN N . 7118 1 656 . 1 1 55 55 GLN NE2 N 15 112.306 0.06 . . . . . . 55 GLN NE2 . 7118 1 657 . 1 1 56 56 ASP H H 1 7.722 0.015 . . . . . . 56 ASP H . 7118 1 658 . 1 1 56 56 ASP HA H 1 4.325 0.004 . . . . . . 56 ASP HA . 7118 1 659 . 1 1 56 56 ASP HB2 H 1 2.585 0.001 . . . . . . 56 ASP HB2 . 7118 1 660 . 1 1 56 56 ASP HB3 H 1 2.391 0.002 . . . . . . 56 ASP HB3 . 7118 1 661 . 1 1 56 56 ASP C C 13 177.330 0.25 . . . . . . 56 ASP C . 7118 1 662 . 1 1 56 56 ASP CA C 13 57.370 0.25 . . . . . . 56 ASP CA . 7118 1 663 . 1 1 56 56 ASP CB C 13 39.052 0.25 . . . . . . 56 ASP CB . 7118 1 664 . 1 1 56 56 ASP N N 15 123.231 0.06 . . . . . . 56 ASP N . 7118 1 665 . 1 1 57 57 ARG H H 1 7.582 0.015 . . . . . . 57 ARG H . 7118 1 666 . 1 1 57 57 ARG HA H 1 3.833 0.002 . . . . . . 57 ARG HA . 7118 1 667 . 1 1 57 57 ARG HB2 H 1 1.793 0.012 . . . . . . 57 ARG HB2 . 7118 1 668 . 1 1 57 57 ARG HB3 H 1 1.489 0.015 . . . . . . 57 ARG HB3 . 7118 1 669 . 1 1 57 57 ARG HG2 H 1 1.875 0.004 . . . . . . 57 ARG HG2 . 7118 1 670 . 1 1 57 57 ARG HG3 H 1 1.186 0.015 . . . . . . 57 ARG HG3 . 7118 1 671 . 1 1 57 57 ARG HD2 H 1 3.352 0.008 . . . . . . 57 ARG HD2 . 7118 1 672 . 1 1 57 57 ARG HD3 H 1 3.074 0.001 . . . . . . 57 ARG HD3 . 7118 1 673 . 1 1 57 57 ARG C C 13 178.393 0.25 . . . . . . 57 ARG C . 7118 1 674 . 1 1 57 57 ARG CA C 13 60.503 0.25 . . . . . . 57 ARG CA . 7118 1 675 . 1 1 57 57 ARG CB C 13 30.858 0.25 . . . . . . 57 ARG CB . 7118 1 676 . 1 1 57 57 ARG CG C 13 28.689 0.25 . . . . . . 57 ARG CG . 7118 1 677 . 1 1 57 57 ARG CD C 13 44.355 0.25 . . . . . . 57 ARG CD . 7118 1 678 . 1 1 57 57 ARG N N 15 116.804 0.06 . . . . . . 57 ARG N . 7118 1 679 . 1 1 58 58 ALA H H 1 7.960 0.015 . . . . . . 58 ALA H . 7118 1 680 . 1 1 58 58 ALA HA H 1 3.891 0.012 . . . . . . 58 ALA HA . 7118 1 681 . 1 1 58 58 ALA HB1 H 1 1.368 0.002 . . . . . . 58 ALA HB . 7118 1 682 . 1 1 58 58 ALA HB2 H 1 1.368 0.002 . . . . . . 58 ALA HB . 7118 1 683 . 1 1 58 58 ALA HB3 H 1 1.368 0.002 . . . . . . 58 ALA HB . 7118 1 684 . 1 1 58 58 ALA C C 13 180.372 0.25 . . . . . . 58 ALA C . 7118 1 685 . 1 1 58 58 ALA CA C 13 54.960 0.25 . . . . . . 58 ALA CA . 7118 1 686 . 1 1 58 58 ALA CB C 13 17.843 0.25 . . . . . . 58 ALA CB . 7118 1 687 . 1 1 58 58 ALA N N 15 119.990 0.06 . . . . . . 58 ALA N . 7118 1 688 . 1 1 59 59 LEU H H 1 7.557 0.015 . . . . . . 59 LEU H . 7118 1 689 . 1 1 59 59 LEU HA H 1 4.083 0.007 . . . . . . 59 LEU HA . 7118 1 690 . 1 1 59 59 LEU HB2 H 1 1.994 0.004 . . . . . . 59 LEU HB2 . 7118 1 691 . 1 1 59 59 LEU HB3 H 1 1.593 0.006 . . . . . . 59 LEU HB3 . 7118 1 692 . 1 1 59 59 LEU HG H 1 1.326 0.007 . . . . . . 59 LEU HG . 7118 1 693 . 1 1 59 59 LEU HD11 H 1 0.832 0.004 . . . . . . 59 LEU HD1 . 7118 1 694 . 1 1 59 59 LEU HD12 H 1 0.832 0.004 . . . . . . 59 LEU HD1 . 7118 1 695 . 1 1 59 59 LEU HD13 H 1 0.832 0.004 . . . . . . 59 LEU HD1 . 7118 1 696 . 1 1 59 59 LEU HD21 H 1 0.834 0.005 . . . . . . 59 LEU HD2 . 7118 1 697 . 1 1 59 59 LEU HD22 H 1 0.834 0.005 . . . . . . 59 LEU HD2 . 7118 1 698 . 1 1 59 59 LEU HD23 H 1 0.834 0.005 . . . . . . 59 LEU HD2 . 7118 1 699 . 1 1 59 59 LEU C C 13 178.347 0.25 . . . . . . 59 LEU C . 7118 1 700 . 1 1 59 59 LEU CA C 13 58.093 0.25 . . . . . . 59 LEU CA . 7118 1 701 . 1 1 59 59 LEU CB C 13 41.463 0.25 . . . . . . 59 LEU CB . 7118 1 702 . 1 1 59 59 LEU CG C 13 27.243 0.25 . . . . . . 59 LEU CG . 7118 1 703 . 1 1 59 59 LEU CD1 C 13 26.038 0.25 . . . . . . 59 LEU CD1 . 7118 1 704 . 1 1 59 59 LEU CD2 C 13 23.627 0.25 . . . . . . 59 LEU CD2 . 7118 1 705 . 1 1 59 59 LEU N N 15 121.524 0.06 . . . . . . 59 LEU N . 7118 1 706 . 1 1 60 60 VAL H H 1 7.832 0.015 . . . . . . 60 VAL H . 7118 1 707 . 1 1 60 60 VAL HA H 1 3.304 0.008 . . . . . . 60 VAL HA . 7118 1 708 . 1 1 60 60 VAL HB H 1 1.979 0.002 . . . . . . 60 VAL HB . 7118 1 709 . 1 1 60 60 VAL HG11 H 1 0.737 0.005 . . . . . . 60 VAL HG1 . 7118 1 710 . 1 1 60 60 VAL HG12 H 1 0.737 0.005 . . . . . . 60 VAL HG1 . 7118 1 711 . 1 1 60 60 VAL HG13 H 1 0.737 0.005 . . . . . . 60 VAL HG1 . 7118 1 712 . 1 1 60 60 VAL HG21 H 1 0.908 0.005 . . . . . . 60 VAL HG2 . 7118 1 713 . 1 1 60 60 VAL HG22 H 1 0.908 0.005 . . . . . . 60 VAL HG2 . 7118 1 714 . 1 1 60 60 VAL HG23 H 1 0.908 0.005 . . . . . . 60 VAL HG2 . 7118 1 715 . 1 1 60 60 VAL C C 13 177.672 0.25 . . . . . . 60 VAL C . 7118 1 716 . 1 1 60 60 VAL CA C 13 67.493 0.25 . . . . . . 60 VAL CA . 7118 1 717 . 1 1 60 60 VAL CB C 13 31.340 0.25 . . . . . . 60 VAL CB . 7118 1 718 . 1 1 60 60 VAL CG1 C 13 24.109 0.25 . . . . . . 60 VAL CG1 . 7118 1 719 . 1 1 60 60 VAL CG2 C 13 21.699 0.25 . . . . . . 60 VAL CG2 . 7118 1 720 . 1 1 60 60 VAL N N 15 118.277 0.06 . . . . . . 60 VAL N . 7118 1 721 . 1 1 61 61 LYS H H 1 8.314 0.015 . . . . . . 61 LYS H . 7118 1 722 . 1 1 61 61 LYS HA H 1 3.742 0.008 . . . . . . 61 LYS HA . 7118 1 723 . 1 1 61 61 LYS HB2 H 1 1.734 0.001 . . . . . . 61 LYS HB . 7118 1 724 . 1 1 61 61 LYS HB3 H 1 1.734 0.001 . . . . . . 61 LYS HB . 7118 1 725 . 1 1 61 61 LYS HG2 H 1 1.493 0.007 . . . . . . 61 LYS HG2 . 7118 1 726 . 1 1 61 61 LYS HG3 H 1 1.262 0.003 . . . . . . 61 LYS HG3 . 7118 1 727 . 1 1 61 61 LYS HD2 H 1 1.516 0.003 . . . . . . 61 LYS HD . 7118 1 728 . 1 1 61 61 LYS HD3 H 1 1.516 0.003 . . . . . . 61 LYS HD . 7118 1 729 . 1 1 61 61 LYS HE2 H 1 2.766 0.008 . . . . . . 61 LYS HE . 7118 1 730 . 1 1 61 61 LYS HE3 H 1 2.766 0.008 . . . . . . 61 LYS HE . 7118 1 731 . 1 1 61 61 LYS C C 13 179.558 0.25 . . . . . . 61 LYS C . 7118 1 732 . 1 1 61 61 LYS CA C 13 60.503 0.25 . . . . . . 61 LYS CA . 7118 1 733 . 1 1 61 61 LYS CB C 13 32.304 0.25 . . . . . . 61 LYS CB . 7118 1 734 . 1 1 61 61 LYS CG C 13 25.314 0.25 . . . . . . 61 LYS CG . 7118 1 735 . 1 1 61 61 LYS CD C 13 29.653 0.25 . . . . . . 61 LYS CD . 7118 1 736 . 1 1 61 61 LYS CE C 13 41.463 0.25 . . . . . . 61 LYS CE . 7118 1 737 . 1 1 61 61 LYS N N 15 117.275 0.06 . . . . . . 61 LYS N . 7118 1 738 . 1 1 62 62 LYS H H 1 7.979 0.015 . . . . . . 62 LYS H . 7118 1 739 . 1 1 62 62 LYS HA H 1 3.974 0.007 . . . . . . 62 LYS HA . 7118 1 740 . 1 1 62 62 LYS HB2 H 1 1.913 0.015 . . . . . . 62 LYS HB . 7118 1 741 . 1 1 62 62 LYS HB3 H 1 1.913 0.015 . . . . . . 62 LYS HB . 7118 1 742 . 1 1 62 62 LYS HG2 H 1 1.416 0.001 . . . . . . 62 LYS HG2 . 7118 1 743 . 1 1 62 62 LYS HG3 H 1 1.270 0.015 . . . . . . 62 LYS HG3 . 7118 1 744 . 1 1 62 62 LYS HD2 H 1 1.562 0.001 . . . . . . 62 LYS HD . 7118 1 745 . 1 1 62 62 LYS HD3 H 1 1.562 0.001 . . . . . . 62 LYS HD . 7118 1 746 . 1 1 62 62 LYS HE2 H 1 2.858 0.002 . . . . . . 62 LYS HE . 7118 1 747 . 1 1 62 62 LYS HE3 H 1 2.858 0.002 . . . . . . 62 LYS HE . 7118 1 748 . 1 1 62 62 LYS C C 13 179.290 0.25 . . . . . . 62 LYS C . 7118 1 749 . 1 1 62 62 LYS CA C 13 59.539 0.25 . . . . . . 62 LYS CA . 7118 1 750 . 1 1 62 62 LYS CB C 13 32.545 0.25 . . . . . . 62 LYS CB . 7118 1 751 . 1 1 62 62 LYS CG C 13 24.832 0.25 . . . . . . 62 LYS CG . 7118 1 752 . 1 1 62 62 LYS CD C 13 29.653 0.25 . . . . . . 62 LYS CD . 7118 1 753 . 1 1 62 62 LYS CE C 13 41.945 0.25 . . . . . . 62 LYS CE . 7118 1 754 . 1 1 62 62 LYS N N 15 120.245 0.06 . . . . . . 62 LYS N . 7118 1 755 . 1 1 63 63 LYS H H 1 8.339 0.015 . . . . . . 63 LYS H . 7118 1 756 . 1 1 63 63 LYS HA H 1 4.151 0.002 . . . . . . 63 LYS HA . 7118 1 757 . 1 1 63 63 LYS HB2 H 1 2.205 0.008 . . . . . . 63 LYS HB2 . 7118 1 758 . 1 1 63 63 LYS HB3 H 1 2.076 0.002 . . . . . . 63 LYS HB3 . 7118 1 759 . 1 1 63 63 LYS HG2 H 1 1.658 0.004 . . . . . . 63 LYS HG2 . 7118 1 760 . 1 1 63 63 LYS HG3 H 1 1.410 0.008 . . . . . . 63 LYS HG3 . 7118 1 761 . 1 1 63 63 LYS HD2 H 1 1.663 0.002 . . . . . . 63 LYS HD2 . 7118 1 762 . 1 1 63 63 LYS HD3 H 1 1.592 0.004 . . . . . . 63 LYS HD3 . 7118 1 763 . 1 1 63 63 LYS HE2 H 1 2.842 0.011 . . . . . . 63 LYS HE2 . 7118 1 764 . 1 1 63 63 LYS HE3 H 1 2.689 0.005 . . . . . . 63 LYS HE3 . 7118 1 765 . 1 1 63 63 LYS C C 13 180.224 0.25 . . . . . . 63 LYS C . 7118 1 766 . 1 1 63 63 LYS CA C 13 57.129 0.25 . . . . . . 63 LYS CA . 7118 1 767 . 1 1 63 63 LYS CB C 13 31.340 0.25 . . . . . . 63 LYS CB . 7118 1 768 . 1 1 63 63 LYS CG C 13 24.350 0.25 . . . . . . 63 LYS CG . 7118 1 769 . 1 1 63 63 LYS CD C 13 27.484 0.25 . . . . . . 63 LYS CD . 7118 1 770 . 1 1 63 63 LYS CE C 13 42.186 0.25 . . . . . . 63 LYS CE . 7118 1 771 . 1 1 63 63 LYS N N 15 118.688 0.06 . . . . . . 63 LYS N . 7118 1 772 . 1 1 64 64 LEU H H 1 8.882 0.015 . . . . . . 64 LEU H . 7118 1 773 . 1 1 64 64 LEU HA H 1 4.075 0.002 . . . . . . 64 LEU HA . 7118 1 774 . 1 1 64 64 LEU HB2 H 1 1.821 0.015 . . . . . . 64 LEU HB2 . 7118 1 775 . 1 1 64 64 LEU HB3 H 1 1.269 0.015 . . . . . . 64 LEU HB3 . 7118 1 776 . 1 1 64 64 LEU HG H 1 1.832 0.002 . . . . . . 64 LEU HG . 7118 1 777 . 1 1 64 64 LEU HD11 H 1 0.660 0.002 . . . . . . 64 LEU HD1 . 7118 1 778 . 1 1 64 64 LEU HD12 H 1 0.660 0.002 . . . . . . 64 LEU HD1 . 7118 1 779 . 1 1 64 64 LEU HD13 H 1 0.660 0.002 . . . . . . 64 LEU HD1 . 7118 1 780 . 1 1 64 64 LEU HD21 H 1 0.493 0.005 . . . . . . 64 LEU HD2 . 7118 1 781 . 1 1 64 64 LEU HD22 H 1 0.493 0.005 . . . . . . 64 LEU HD2 . 7118 1 782 . 1 1 64 64 LEU HD23 H 1 0.493 0.005 . . . . . . 64 LEU HD2 . 7118 1 783 . 1 1 64 64 LEU C C 13 179.216 0.25 . . . . . . 64 LEU C . 7118 1 784 . 1 1 64 64 LEU CA C 13 58.093 0.25 . . . . . . 64 LEU CA . 7118 1 785 . 1 1 64 64 LEU CB C 13 41.704 0.25 . . . . . . 64 LEU CB . 7118 1 786 . 1 1 64 64 LEU CG C 13 26.761 0.25 . . . . . . 64 LEU CG . 7118 1 787 . 1 1 64 64 LEU CD1 C 13 25.796 0.25 . . . . . . 64 LEU CD1 . 7118 1 788 . 1 1 64 64 LEU CD2 C 13 23.386 0.25 . . . . . . 64 LEU CD2 . 7118 1 789 . 1 1 64 64 LEU N N 15 120.933 0.06 . . . . . . 64 LEU N . 7118 1 790 . 1 1 65 65 LYS H H 1 7.747 0.015 . . . . . . 65 LYS H . 7118 1 791 . 1 1 65 65 LYS HA H 1 3.858 0.002 . . . . . . 65 LYS HA . 7118 1 792 . 1 1 65 65 LYS HB2 H 1 1.925 0.015 . . . . . . 65 LYS HB2 . 7118 1 793 . 1 1 65 65 LYS HB3 H 1 1.855 0.015 . . . . . . 65 LYS HB3 . 7118 1 794 . 1 1 65 65 LYS HG2 H 1 1.439 0.002 . . . . . . 65 LYS HG2 . 7118 1 795 . 1 1 65 65 LYS HG3 H 1 1.301 0.008 . . . . . . 65 LYS HG3 . 7118 1 796 . 1 1 65 65 LYS HD2 H 1 1.588 0.002 . . . . . . 65 LYS HD . 7118 1 797 . 1 1 65 65 LYS HD3 H 1 1.588 0.002 . . . . . . 65 LYS HD . 7118 1 798 . 1 1 65 65 LYS HE2 H 1 2.863 0.008 . . . . . . 65 LYS HE . 7118 1 799 . 1 1 65 65 LYS HE3 H 1 2.863 0.008 . . . . . . 65 LYS HE . 7118 1 800 . 1 1 65 65 LYS C C 13 179.216 0.25 . . . . . . 65 LYS C . 7118 1 801 . 1 1 65 65 LYS CA C 13 59.780 0.25 . . . . . . 65 LYS CA . 7118 1 802 . 1 1 65 65 LYS CB C 13 32.063 0.25 . . . . . . 65 LYS CB . 7118 1 803 . 1 1 65 65 LYS CG C 13 24.832 0.25 . . . . . . 65 LYS CG . 7118 1 804 . 1 1 65 65 LYS CD C 13 29.412 0.25 . . . . . . 65 LYS CD . 7118 1 805 . 1 1 65 65 LYS CE C 13 42.186 0.25 . . . . . . 65 LYS CE . 7118 1 806 . 1 1 65 65 LYS N N 15 119.989 0.06 . . . . . . 65 LYS N . 7118 1 807 . 1 1 66 66 GLU H H 1 7.688 0.015 . . . . . . 66 GLU H . 7118 1 808 . 1 1 66 66 GLU HA H 1 3.923 0.005 . . . . . . 66 GLU HA . 7118 1 809 . 1 1 66 66 GLU HB2 H 1 2.169 0.004 . . . . . . 66 GLU HB2 . 7118 1 810 . 1 1 66 66 GLU HB3 H 1 2.029 0.003 . . . . . . 66 GLU HB3 . 7118 1 811 . 1 1 66 66 GLU HG2 H 1 2.449 0.008 . . . . . . 66 GLU HG2 . 7118 1 812 . 1 1 66 66 GLU HG3 H 1 2.153 0.005 . . . . . . 66 GLU HG3 . 7118 1 813 . 1 1 66 66 GLU C C 13 179.558 0.25 . . . . . . 66 GLU C . 7118 1 814 . 1 1 66 66 GLU CA C 13 58.816 0.25 . . . . . . 66 GLU CA . 7118 1 815 . 1 1 66 66 GLU CB C 13 29.412 0.25 . . . . . . 66 GLU CB . 7118 1 816 . 1 1 66 66 GLU CG C 13 36.160 0.25 . . . . . . 66 GLU CG . 7118 1 817 . 1 1 66 66 GLU N N 15 118.080 0.06 . . . . . . 66 GLU N . 7118 1 818 . 1 1 67 67 MET H H 1 7.997 0.015 . . . . . . 67 MET H . 7118 1 819 . 1 1 67 67 MET HA H 1 4.024 0.015 . . . . . . 67 MET HA . 7118 1 820 . 1 1 67 67 MET HB2 H 1 2.050 0.001 . . . . . . 67 MET HB2 . 7118 1 821 . 1 1 67 67 MET HB3 H 1 1.799 0.004 . . . . . . 67 MET HB3 . 7118 1 822 . 1 1 67 67 MET HG2 H 1 2.616 0.005 . . . . . . 67 MET HG2 . 7118 1 823 . 1 1 67 67 MET HG3 H 1 2.299 0.006 . . . . . . 67 MET HG3 . 7118 1 824 . 1 1 67 67 MET C C 13 178.430 0.25 . . . . . . 67 MET C . 7118 1 825 . 1 1 67 67 MET CA C 13 58.575 0.25 . . . . . . 67 MET CA . 7118 1 826 . 1 1 67 67 MET CB C 13 33.509 0.25 . . . . . . 67 MET CB . 7118 1 827 . 1 1 67 67 MET CG C 13 31.822 0.25 . . . . . . 67 MET CG . 7118 1 828 . 1 1 67 67 MET N N 15 118.986 0.06 . . . . . . 67 MET N . 7118 1 829 . 1 1 68 68 LYS H H 1 8.052 0.015 . . . . . . 68 LYS H . 7118 1 830 . 1 1 68 68 LYS HA H 1 3.813 0.004 . . . . . . 68 LYS HA . 7118 1 831 . 1 1 68 68 LYS HB2 H 1 1.803 0.015 . . . . . . 68 LYS HB2 . 7118 1 832 . 1 1 68 68 LYS HB3 H 1 1.703 0.015 . . . . . . 68 LYS HB3 . 7118 1 833 . 1 1 68 68 LYS HG2 H 1 1.424 0.009 . . . . . . 68 LYS HG2 . 7118 1 834 . 1 1 68 68 LYS HG3 H 1 1.242 0.015 . . . . . . 68 LYS HG3 . 7118 1 835 . 1 1 68 68 LYS HD2 H 1 1.515 0.002 . . . . . . 68 LYS HD . 7118 1 836 . 1 1 68 68 LYS HD3 H 1 1.515 0.002 . . . . . . 68 LYS HD . 7118 1 837 . 1 1 68 68 LYS HE2 H 1 2.766 0.007 . . . . . . 68 LYS HE . 7118 1 838 . 1 1 68 68 LYS HE3 H 1 2.766 0.007 . . . . . . 68 LYS HE . 7118 1 839 . 1 1 68 68 LYS C C 13 178.338 0.25 . . . . . . 68 LYS C . 7118 1 840 . 1 1 68 68 LYS CA C 13 59.057 0.25 . . . . . . 68 LYS CA . 7118 1 841 . 1 1 68 68 LYS CB C 13 32.304 0.25 . . . . . . 68 LYS CB . 7118 1 842 . 1 1 68 68 LYS CG C 13 25.555 0.25 . . . . . . 68 LYS CG . 7118 1 843 . 1 1 68 68 LYS CD C 13 29.412 0.25 . . . . . . 68 LYS CD . 7118 1 844 . 1 1 68 68 LYS CE C 13 42.186 0.25 . . . . . . 68 LYS CE . 7118 1 845 . 1 1 68 68 LYS N N 15 119.315 0.06 . . . . . . 68 LYS N . 7118 1 846 . 1 1 69 69 MET H H 1 7.838 0.015 . . . . . . 69 MET H . 7118 1 847 . 1 1 69 69 MET HA H 1 4.200 0.002 . . . . . . 69 MET HA . 7118 1 848 . 1 1 69 69 MET HB2 H 1 2.016 0.013 . . . . . . 69 MET HB . 7118 1 849 . 1 1 69 69 MET HB3 H 1 2.016 0.013 . . . . . . 69 MET HB . 7118 1 850 . 1 1 69 69 MET HG2 H 1 2.612 0.003 . . . . . . 69 MET HG2 . 7118 1 851 . 1 1 69 69 MET HG3 H 1 2.493 0.004 . . . . . . 69 MET HG3 . 7118 1 852 . 1 1 69 69 MET C C 13 177.598 0.25 . . . . . . 69 MET C . 7118 1 853 . 1 1 69 69 MET CA C 13 57.129 0.25 . . . . . . 69 MET CA . 7118 1 854 . 1 1 69 69 MET CB C 13 32.304 0.25 . . . . . . 69 MET CB . 7118 1 855 . 1 1 69 69 MET CG C 13 31.822 0.25 . . . . . . 69 MET CG . 7118 1 856 . 1 1 69 69 MET N N 15 117.807 0.06 . . . . . . 69 MET N . 7118 1 857 . 1 1 70 70 SER H H 1 7.735 0.015 . . . . . . 70 SER H . 7118 1 858 . 1 1 70 70 SER HA H 1 4.273 0.002 . . . . . . 70 SER HA . 7118 1 859 . 1 1 70 70 SER HB2 H 1 3.833 0.002 . . . . . . 70 SER HB . 7118 1 860 . 1 1 70 70 SER HB3 H 1 3.833 0.002 . . . . . . 70 SER HB . 7118 1 861 . 1 1 70 70 SER C C 13 174.981 0.25 . . . . . . 70 SER C . 7118 1 862 . 1 1 70 70 SER CA C 13 59.539 0.25 . . . . . . 70 SER CA . 7118 1 863 . 1 1 70 70 SER CB C 13 63.395 0.25 . . . . . . 70 SER CB . 7118 1 864 . 1 1 70 70 SER N N 15 114.562 0.06 . . . . . . 70 SER N . 7118 1 865 . 1 1 71 71 LEU H H 1 7.686 0.015 . . . . . . 71 LEU H . 7118 1 866 . 1 1 71 71 LEU HA H 1 4.174 0.002 . . . . . . 71 LEU HA . 7118 1 867 . 1 1 71 71 LEU HB2 H 1 1.589 0.002 . . . . . . 71 LEU HB2 . 7118 1 868 . 1 1 71 71 LEU HB3 H 1 1.465 0.002 . . . . . . 71 LEU HB3 . 7118 1 869 . 1 1 71 71 LEU HG H 1 1.588 0.002 . . . . . . 71 LEU HG . 7118 1 870 . 1 1 71 71 LEU HD11 H 1 0.732 0.015 . . . . . . 71 LEU HD1 . 7118 1 871 . 1 1 71 71 LEU HD12 H 1 0.732 0.015 . . . . . . 71 LEU HD1 . 7118 1 872 . 1 1 71 71 LEU HD13 H 1 0.732 0.015 . . . . . . 71 LEU HD1 . 7118 1 873 . 1 1 71 71 LEU HD21 H 1 0.708 0.015 . . . . . . 71 LEU HD2 . 7118 1 874 . 1 1 71 71 LEU HD22 H 1 0.708 0.015 . . . . . . 71 LEU HD2 . 7118 1 875 . 1 1 71 71 LEU HD23 H 1 0.708 0.015 . . . . . . 71 LEU HD2 . 7118 1 876 . 1 1 71 71 LEU C C 13 177.607 0.25 . . . . . . 71 LEU C . 7118 1 877 . 1 1 71 71 LEU CA C 13 55.442 0.25 . . . . . . 71 LEU CA . 7118 1 878 . 1 1 71 71 LEU CB C 13 42.186 0.25 . . . . . . 71 LEU CB . 7118 1 879 . 1 1 71 71 LEU CG C 13 26.761 0.25 . . . . . . 71 LEU CG . 7118 1 880 . 1 1 71 71 LEU CD1 C 13 25.314 0.25 . . . . . . 71 LEU CD1 . 7118 1 881 . 1 1 71 71 LEU CD2 C 13 23.145 0.25 . . . . . . 71 LEU CD2 . 7118 1 882 . 1 1 71 71 LEU N N 15 122.289 0.06 . . . . . . 71 LEU N . 7118 1 883 . 1 1 72 72 GLU H H 1 7.863 0.015 . . . . . . 72 GLU H . 7118 1 884 . 1 1 72 72 GLU HA H 1 4.099 0.001 . . . . . . 72 GLU HA . 7118 1 885 . 1 1 72 72 GLU HB2 H 1 1.926 0.015 . . . . . . 72 GLU HB2 . 7118 1 886 . 1 1 72 72 GLU HB3 H 1 1.832 0.002 . . . . . . 72 GLU HB3 . 7118 1 887 . 1 1 72 72 GLU HG2 H 1 2.198 0.002 . . . . . . 72 GLU HG2 . 7118 1 888 . 1 1 72 72 GLU HG3 H 1 2.104 0.005 . . . . . . 72 GLU HG3 . 7118 1 889 . 1 1 72 72 GLU C C 13 176.257 0.25 . . . . . . 72 GLU C . 7118 1 890 . 1 1 72 72 GLU CA C 13 56.647 0.25 . . . . . . 72 GLU CA . 7118 1 891 . 1 1 72 72 GLU CB C 13 30.135 0.25 . . . . . . 72 GLU CB . 7118 1 892 . 1 1 72 72 GLU CG C 13 36.160 0.25 . . . . . . 72 GLU CG . 7118 1 893 . 1 1 72 72 GLU N N 15 119.930 0.06 . . . . . . 72 GLU N . 7118 1 894 . 1 1 73 73 LYS H H 1 7.942 0.015 . . . . . . 73 LYS H . 7118 1 895 . 1 1 73 73 LYS HA H 1 4.175 0.002 . . . . . . 73 LYS HA . 7118 1 896 . 1 1 73 73 LYS HB2 H 1 1.714 0.007 . . . . . . 73 LYS HB2 . 7118 1 897 . 1 1 73 73 LYS HB3 H 1 1.611 0.015 . . . . . . 73 LYS HB3 . 7118 1 898 . 1 1 73 73 LYS HG2 H 1 1.299 0.004 . . . . . . 73 LYS HG . 7118 1 899 . 1 1 73 73 LYS HG3 H 1 1.299 0.004 . . . . . . 73 LYS HG . 7118 1 900 . 1 1 73 73 LYS HD2 H 1 1.536 0.001 . . . . . . 73 LYS HD . 7118 1 901 . 1 1 73 73 LYS HD3 H 1 1.536 0.001 . . . . . . 73 LYS HD . 7118 1 902 . 1 1 73 73 LYS C C 13 175.129 0.25 . . . . . . 73 LYS C . 7118 1 903 . 1 1 73 73 LYS CA C 13 56.165 0.25 . . . . . . 73 LYS CA . 7118 1 904 . 1 1 73 73 LYS CB C 13 33.027 0.25 . . . . . . 73 LYS CB . 7118 1 905 . 1 1 73 73 LYS CG C 13 24.350 0.25 . . . . . . 73 LYS CG . 7118 1 906 . 1 1 73 73 LYS CD C 13 28.930 0.25 . . . . . . 73 LYS CD . 7118 1 907 . 1 1 73 73 LYS N N 15 121.758 0.06 . . . . . . 73 LYS N . 7118 1 908 . 1 1 74 74 ALA H H 1 7.832 0.015 . . . . . . 74 ALA H . 7118 1 909 . 1 1 74 74 ALA HA H 1 3.971 0.003 . . . . . . 74 ALA HA . 7118 1 910 . 1 1 74 74 ALA HB1 H 1 1.186 0.005 . . . . . . 74 ALA HB . 7118 1 911 . 1 1 74 74 ALA HB2 H 1 1.186 0.005 . . . . . . 74 ALA HB . 7118 1 912 . 1 1 74 74 ALA HB3 H 1 1.186 0.005 . . . . . . 74 ALA HB . 7118 1 913 . 1 1 74 74 ALA C C 13 174.048 0.25 . . . . . . 74 ALA C . 7118 1 914 . 1 1 74 74 ALA CA C 13 53.755 0.25 . . . . . . 74 ALA CA . 7118 1 915 . 1 1 74 74 ALA CB C 13 20.012 0.25 . . . . . . 74 ALA CB . 7118 1 916 . 1 1 74 74 ALA N N 15 131.315 0.06 . . . . . . 74 ALA N . 7118 1 stop_ save_