data_15060 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15060 _Entry.Title ; NMR structure of the murine DLC2 (deleted in liver cancer -2) SAM (sterile alpha motif) domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-30 _Entry.Accession_date 2006-11-30 _Entry.Last_release_date 2007-10-16 _Entry.Original_release_date 2007-10-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Logan Donaldson . W. . 15060 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15060 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 15060 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15060 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 15060 '15N chemical shifts' 94 15060 '1H chemical shifts' 559 15060 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 . . 2007-10-16 2006-11-30 original author . 15060 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2H80 'human DLC2 SAM domain' 15060 stop_ save_ ############### # Citations # ############### save_primary_citation _Citation.Sf_category citations _Citation.Sf_framecode primary_citation _Citation.Entry_ID 15060 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17519008 _Citation.Full_citation . _Citation.Title 'The NMR structure of the murine DLC2 SAM domain reveals a variant fold that is similar to an anti-parallel four helix bundle' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'BMC Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue 34 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 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 Jamie Kwan . J. . 15060 1 2 Logan Donaldson . W. . 15060 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15060 _Assembly.ID 1 _Assembly.Name 'monomeric DLC2 SAM domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'monomeric DLC2 SAM domain' 1 $DLC2_SAM_domain A . yes native no no . . . 15060 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2H80 . . 'solution NMR' . 'human DLC2 SAM domain' . 15060 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DLC2_SAM_domain _Entity.Sf_category entity _Entity.Sf_framecode DLC2_SAM_domain _Entity.Entry_ID 15060 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DLC2_SAM_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSHHHHHHSSGLVPRGSML VTKIQQEIEAKEACDWLRAA GFPQYAQLYEDSQFPINIAA VKKDHDFLERDLVEPLCRRL NTLNKCASMRLDVNFQRKKG DDSDEED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'follows wild type sequence' _Entity.Polymer_author_seq_details ; The expressed protein contains the following additional amino acids not present in the deposited structure. At the amino terminus - an terminal affinity tag, a thrombin cleavage sequence (GSSHHHHHHSSGLVPRGSM) and several disordered amino acids (LVTKIQQ). At the carboxy terminus, several disorderd amino acids (MRLDVNFQRKKGDDSDEED). ; _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'SAM domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7167.181 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no GB AAH27830 . "StAR-related lipid transfer (START) domain containing 13 [Mus musculus]" . . . . . 82.24 1113 100.00 100.00 4.40e-52 . . . . 15060 1 2 no GB AGV29471 . "StAR-related lipid transfer domain containing 13 [Rattus norvegicus]" . . . . . 82.24 1112 100.00 100.00 6.44e-52 . . . . 15060 1 3 no GB AGV29472 . "StAR-related lipid transfer domain containing 13 [Rattus norvegicus]" . . . . . 82.24 1112 100.00 100.00 6.44e-52 . . . . 15060 1 4 no GB EDL05887 . "serologically defined colon cancer antigen 13, isoform CRA_a, partial [Mus musculus]" . . . . . 82.24 1121 100.00 100.00 4.20e-52 . . . . 15060 1 5 no GB EDL05888 . "serologically defined colon cancer antigen 13, isoform CRA_b, partial [Mus musculus]" . . . . . 82.24 1140 100.00 100.00 4.72e-52 . . . . 15060 1 6 no REF NP_001102530 . "stAR-related lipid transfer protein 13 [Rattus norvegicus]" . . . . . 82.24 1112 100.00 100.00 6.44e-52 . . . . 15060 1 7 no REF NP_001156965 . "stAR-related lipid transfer protein 13 isoform 1 [Mus musculus]" . . . . . 82.24 1132 100.00 100.00 4.86e-52 . . . . 15060 1 8 no REF NP_666370 . "stAR-related lipid transfer protein 13 isoform 2 [Mus musculus]" . . . . . 82.24 1113 100.00 100.00 4.62e-52 . . . . 15060 1 9 no REF XP_005083217 . "PREDICTED: stAR-related lipid transfer protein 13 isoform X1 [Mesocricetus auratus]" . . . . . 82.24 1131 97.73 97.73 1.30e-50 . . . . 15060 1 10 no REF XP_005083218 . "PREDICTED: stAR-related lipid transfer protein 13 isoform X2 [Mesocricetus auratus]" . . . . . 82.24 1112 97.73 97.73 1.34e-50 . . . . 15060 1 11 no SP Q923Q2 . "RecName: Full=StAR-related lipid transfer protein 13; AltName: Full=START domain-containing protein 13; Short=StARD13" . . . . . 82.24 1113 100.00 100.00 4.62e-52 . . . . 15060 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'possible ligand binding domain' 15060 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 . GLY . 15060 1 2 . SER . 15060 1 3 . SER . 15060 1 4 . HIS . 15060 1 5 . HIS . 15060 1 6 . HIS . 15060 1 7 . HIS . 15060 1 8 . HIS . 15060 1 9 . HIS . 15060 1 10 . SER . 15060 1 11 . SER . 15060 1 12 . GLY . 15060 1 13 . LEU . 15060 1 14 . VAL . 15060 1 15 . PRO . 15060 1 16 . ARG . 15060 1 17 . GLY . 15060 1 18 . SER . 15060 1 19 . MET . 15060 1 20 . LEU . 15060 1 21 . VAL . 15060 1 22 . THR . 15060 1 23 . LYS . 15060 1 24 . ILE . 15060 1 25 . GLN . 15060 1 26 . GLN . 15060 1 27 . GLU . 15060 1 28 . ILE . 15060 1 29 . GLU . 15060 1 30 . ALA . 15060 1 31 . LYS . 15060 1 32 . GLU . 15060 1 33 . ALA . 15060 1 34 . CYS . 15060 1 35 . ASP . 15060 1 36 . TRP . 15060 1 37 . LEU . 15060 1 38 . ARG . 15060 1 39 . ALA . 15060 1 40 . ALA . 15060 1 41 . GLY . 15060 1 42 . PHE . 15060 1 43 . PRO . 15060 1 44 . GLN . 15060 1 45 . TYR . 15060 1 46 . ALA . 15060 1 47 . GLN . 15060 1 48 . LEU . 15060 1 49 . TYR . 15060 1 50 . GLU . 15060 1 51 . ASP . 15060 1 52 . SER . 15060 1 53 . GLN . 15060 1 54 . PHE . 15060 1 55 . PRO . 15060 1 56 . ILE . 15060 1 57 . ASN . 15060 1 58 . ILE . 15060 1 59 . ALA . 15060 1 60 . ALA . 15060 1 61 . VAL . 15060 1 62 . LYS . 15060 1 63 . LYS . 15060 1 64 . ASP . 15060 1 65 . HIS . 15060 1 66 . ASP . 15060 1 67 . PHE . 15060 1 68 . LEU . 15060 1 69 . GLU . 15060 1 70 . ARG . 15060 1 71 . ASP . 15060 1 72 . LEU . 15060 1 73 . VAL . 15060 1 74 . GLU . 15060 1 75 . PRO . 15060 1 76 . LEU . 15060 1 77 . CYS . 15060 1 78 . ARG . 15060 1 79 . ARG . 15060 1 80 . LEU . 15060 1 81 . ASN . 15060 1 82 . THR . 15060 1 83 . LEU . 15060 1 84 . ASN . 15060 1 85 . LYS . 15060 1 86 . CYS . 15060 1 87 . ALA . 15060 1 88 . SER . 15060 1 89 . MET . 15060 1 90 . ARG . 15060 1 91 . LEU . 15060 1 92 . ASP . 15060 1 93 . VAL . 15060 1 94 . ASN . 15060 1 95 . PHE . 15060 1 96 . GLN . 15060 1 97 . ARG . 15060 1 98 . LYS . 15060 1 99 . LYS . 15060 1 100 . GLY . 15060 1 101 . ASP . 15060 1 102 . ASP . 15060 1 103 . SER . 15060 1 104 . ASP . 15060 1 105 . GLU . 15060 1 106 . GLU . 15060 1 107 . ASP . 15060 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 15060 1 . SER 2 2 15060 1 . SER 3 3 15060 1 . HIS 4 4 15060 1 . HIS 5 5 15060 1 . HIS 6 6 15060 1 . HIS 7 7 15060 1 . HIS 8 8 15060 1 . HIS 9 9 15060 1 . SER 10 10 15060 1 . SER 11 11 15060 1 . GLY 12 12 15060 1 . LEU 13 13 15060 1 . VAL 14 14 15060 1 . PRO 15 15 15060 1 . ARG 16 16 15060 1 . GLY 17 17 15060 1 . SER 18 18 15060 1 . MET 19 19 15060 1 . LEU 20 20 15060 1 . VAL 21 21 15060 1 . THR 22 22 15060 1 . LYS 23 23 15060 1 . ILE 24 24 15060 1 . GLN 25 25 15060 1 . GLN 26 26 15060 1 . GLU 27 27 15060 1 . ILE 28 28 15060 1 . GLU 29 29 15060 1 . ALA 30 30 15060 1 . LYS 31 31 15060 1 . GLU 32 32 15060 1 . ALA 33 33 15060 1 . CYS 34 34 15060 1 . ASP 35 35 15060 1 . TRP 36 36 15060 1 . LEU 37 37 15060 1 . ARG 38 38 15060 1 . ALA 39 39 15060 1 . ALA 40 40 15060 1 . GLY 41 41 15060 1 . PHE 42 42 15060 1 . PRO 43 43 15060 1 . GLN 44 44 15060 1 . TYR 45 45 15060 1 . ALA 46 46 15060 1 . GLN 47 47 15060 1 . LEU 48 48 15060 1 . TYR 49 49 15060 1 . GLU 50 50 15060 1 . ASP 51 51 15060 1 . SER 52 52 15060 1 . GLN 53 53 15060 1 . PHE 54 54 15060 1 . PRO 55 55 15060 1 . ILE 56 56 15060 1 . ASN 57 57 15060 1 . ILE 58 58 15060 1 . ALA 59 59 15060 1 . ALA 60 60 15060 1 . VAL 61 61 15060 1 . LYS 62 62 15060 1 . LYS 63 63 15060 1 . ASP 64 64 15060 1 . HIS 65 65 15060 1 . ASP 66 66 15060 1 . PHE 67 67 15060 1 . LEU 68 68 15060 1 . GLU 69 69 15060 1 . ARG 70 70 15060 1 . ASP 71 71 15060 1 . LEU 72 72 15060 1 . VAL 73 73 15060 1 . GLU 74 74 15060 1 . PRO 75 75 15060 1 . LEU 76 76 15060 1 . CYS 77 77 15060 1 . ARG 78 78 15060 1 . ARG 79 79 15060 1 . LEU 80 80 15060 1 . ASN 81 81 15060 1 . THR 82 82 15060 1 . LEU 83 83 15060 1 . ASN 84 84 15060 1 . LYS 85 85 15060 1 . CYS 86 86 15060 1 . ALA 87 87 15060 1 . SER 88 88 15060 1 . MET 89 89 15060 1 . ARG 90 90 15060 1 . LEU 91 91 15060 1 . ASP 92 92 15060 1 . VAL 93 93 15060 1 . ASN 94 94 15060 1 . PHE 95 95 15060 1 . GLN 96 96 15060 1 . ARG 97 97 15060 1 . LYS 98 98 15060 1 . LYS 99 99 15060 1 . GLY 100 100 15060 1 . ASP 101 101 15060 1 . ASP 102 102 15060 1 . SER 103 103 15060 1 . ASP 104 104 15060 1 . GLU 105 105 15060 1 . GLU 106 106 15060 1 . ASP 107 107 15060 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 15060 _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 $DLC2_SAM_domain . 10090 organism . 'Mus musculus' 'House mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 15060 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 15060 _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 $DLC2_SAM_domain . 'recombinant technology' 'Escherichia coli' . . . . . BL21 DE3 . . . . . . . . . . . . . . pET15b . . . 'A DNA fragment from IMAGE cDNA 5320966 was amplified by PCR and inserted into NdeI and BamHI restriction sites of pET15b' . . 15060 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_primary_sample _Sample.Sf_category sample _Sample.Sf_framecode primary_sample _Sample.Entry_ID 15060 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DLC2 SAM domain' '[U-99% 13C; U-99% 15N]' . . 1 $DLC2_SAM_domain . . 0.9 . . mM . . . . 15060 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15060 1 3 'sodium chloride' 'natural abundance' . . . . . . 0.15 . . M . . . . 15060 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15060 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15060 _Sample_condition_list.ID 1 _Sample_condition_list.Details '0.9 mM protein concentration in a buffer comprised of 20 mM sodium phosphate, pH 7.8, 0.15 M sodium chloride, 0.05 % sodium azide' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 15060 1 pH 7.8 . pH 15060 1 pressure 1 . atm 15060 1 temperature 295 . K 15060 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15060 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.16.0 _Software.Details ; Using CYANA 2.1, 25 structures calculated from an initial ensemble of 250 structures. Further refinement of the 25 structures in water was performed using XPLOR NIH 2.16.0. A total of 10 lowest structures were selected as the final deposited ensemble. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Berjanskii, Neal, Wishart' . http://wishart.biology.ualberta.ca/shiftor/cgi-bin/preditor_current.py 15060 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15060 1 'Guntert, Mumenthaler and Wuthrich' . . 15060 1 'Johnson, One Moon Scientific' . . 15060 1 'Schwieters, Kuszewski, Tjandra and Clore' . . 15060 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15060 1 processing 15060 1 refinement 15060 1 'structure solution' 15060 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15060 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model NMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15060 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian NMRS . 600 . . . 15060 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15060 _Experiment_list.ID 1 _Experiment_list.Details ; The structure was determined using a combination of NOE restraints, amide residual dipolar couplings and phi/psi/chi dihedral angle restraints predicted by the PREDITOR software package. ; loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $primary_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15060 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $primary_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15060 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $primary_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15060 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $primary_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15060 1 5 '3D HNCO' no . . . . . . . . . . 1 $primary_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15060 1 6 '3D HNCACB' no . . . . . . . . . . 1 $primary_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15060 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $primary_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15060 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $primary_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15060 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $primary_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15060 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $primary_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15060 1 11 '3D 1H-13C aromatic NOESY' no . . . . . . . . . . 1 $primary_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15060 1 12 '2D aromatic (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $primary_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15060 1 13 '2D aromatic (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $primary_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15060 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15060 _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 $primary_citation . . 1 $primary_citation 15060 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $primary_citation . . 1 $primary_citation 15060 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $primary_citation . . 1 $primary_citation 15060 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15060 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15060 1 2 '2D 1H-13C HSQC' . . . 15060 1 3 '3D CBCA(CO)NH' . . . 15060 1 4 '3D C(CO)NH' . . . 15060 1 5 '3D HNCO' . . . 15060 1 6 '3D HNCACB' . . . 15060 1 7 '3D H(CCO)NH' . . . 15060 1 8 '3D HCCH-TOCSY' . . . 15060 1 12 '2D aromatic (HB)CB(CGCD)HD' . . . 15060 1 13 '2D aromatic (HB)CB(CGCDCE)HE' . . . 15060 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 $X-PLOR_NIH . . 15060 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 20 20 LEU H H 1 8.149 . . 1 . . . . 20 LEU HN . 15060 1 2 . 1 1 20 20 LEU CA C 13 56.016 . . 1 . . . . 20 LEU CA . 15060 1 3 . 1 1 20 20 LEU CB C 13 42.180 . . 1 . . . . 20 LEU CB . 15060 1 4 . 1 1 20 20 LEU N N 15 122.739 . . 1 . . . . 20 LEU N . 15060 1 5 . 1 1 21 21 VAL H H 1 8.048 . . 1 . . . . 21 VAL HN . 15060 1 6 . 1 1 21 21 VAL CA C 13 63.412 . . 1 . . . . 21 VAL CA . 15060 1 7 . 1 1 21 21 VAL CB C 13 32.236 . . 1 . . . . 21 VAL CB . 15060 1 8 . 1 1 21 21 VAL N N 15 120.251 . . 1 . . . . 21 VAL N . 15060 1 9 . 1 1 22 22 THR H H 1 8.032 . . 1 . . . . 22 THR HN . 15060 1 10 . 1 1 22 22 THR HA H 1 4.310 . . 1 . . . . 22 THR HA . 15060 1 11 . 1 1 22 22 THR HG21 H 1 1.240 . . 1 . . . . 22 THR HG2 . 15060 1 12 . 1 1 22 22 THR HG22 H 1 1.240 . . 1 . . . . 22 THR HG2 . 15060 1 13 . 1 1 22 22 THR HG23 H 1 1.240 . . 1 . . . . 22 THR HG2 . 15060 1 14 . 1 1 22 22 THR CA C 13 63.154 . . 1 . . . . 22 THR CA . 15060 1 15 . 1 1 22 22 THR CB C 13 69.934 . . 1 . . . . 22 THR CB . 15060 1 16 . 1 1 22 22 THR CG2 C 13 21.960 . . 1 . . . . 22 THR CG2 . 15060 1 17 . 1 1 22 22 THR N N 15 116.327 . . 1 . . . . 22 THR N . 15060 1 18 . 1 1 23 23 LYS HA H 1 4.160 . . 1 . . . . 23 LYS HA . 15060 1 19 . 1 1 23 23 LYS HB2 H 1 1.870 . . 1 . . . . 23 LYS HB1 . 15060 1 20 . 1 1 23 23 LYS HB3 H 1 1.870 . . 1 . . . . 23 LYS HB2 . 15060 1 21 . 1 1 23 23 LYS HG2 H 1 1.680 . . 1 . . . . 23 LYS HG1 . 15060 1 22 . 1 1 23 23 LYS HG3 H 1 1.680 . . 1 . . . . 23 LYS HG2 . 15060 1 23 . 1 1 23 23 LYS HD2 H 1 1.410 . . 2 . . . . 23 LYS HD1 . 15060 1 24 . 1 1 23 23 LYS HD3 H 1 1.500 . . 2 . . . . 23 LYS HD2 . 15060 1 25 . 1 1 23 23 LYS HE2 H 1 2.980 . . 1 . . . . 23 LYS HE1 . 15060 1 26 . 1 1 23 23 LYS HE3 H 1 2.980 . . 1 . . . . 23 LYS HE2 . 15060 1 27 . 1 1 23 23 LYS CA C 13 58.450 . . 1 . . . . 23 LYS CA . 15060 1 28 . 1 1 23 23 LYS CB C 13 32.578 . . 1 . . . . 23 LYS CB . 15060 1 29 . 1 1 23 23 LYS CG C 13 29.110 . . 1 . . . . 23 LYS CG . 15060 1 30 . 1 1 23 23 LYS CD C 13 24.850 . . 1 . . . . 23 LYS CD . 15060 1 31 . 1 1 23 23 LYS CE C 13 41.670 . . 1 . . . . 23 LYS CE . 15060 1 32 . 1 1 24 24 ILE H H 1 8.033 . . 1 . . . . 24 ILE HN . 15060 1 33 . 1 1 24 24 ILE HA H 1 3.950 . . 1 . . . . 24 ILE HA . 15060 1 34 . 1 1 24 24 ILE HG21 H 1 0.920 . . 1 . . . . 24 ILE HG2 . 15060 1 35 . 1 1 24 24 ILE HG22 H 1 0.920 . . 1 . . . . 24 ILE HG2 . 15060 1 36 . 1 1 24 24 ILE HG23 H 1 0.920 . . 1 . . . . 24 ILE HG2 . 15060 1 37 . 1 1 24 24 ILE HD11 H 1 0.863 . . 1 . . . . 24 ILE HD1 . 15060 1 38 . 1 1 24 24 ILE HD12 H 1 0.863 . . 1 . . . . 24 ILE HD1 . 15060 1 39 . 1 1 24 24 ILE HD13 H 1 0.863 . . 1 . . . . 24 ILE HD1 . 15060 1 40 . 1 1 24 24 ILE CA C 13 63.567 . . 1 . . . . 24 ILE CA . 15060 1 41 . 1 1 24 24 ILE CB C 13 38.124 . . 1 . . . . 24 ILE CB . 15060 1 42 . 1 1 24 24 ILE CG2 C 13 17.230 . . 1 . . . . 24 ILE CG2 . 15060 1 43 . 1 1 24 24 ILE CD1 C 13 13.140 . . 1 . . . . 24 ILE CD1 . 15060 1 44 . 1 1 24 24 ILE N N 15 119.731 . . 1 . . . . 24 ILE N . 15060 1 45 . 1 1 25 25 GLN H H 1 8.021 . . 1 . . . . 25 GLN HN . 15060 1 46 . 1 1 25 25 GLN HA H 1 4.060 . . 1 . . . . 25 GLN HA . 15060 1 47 . 1 1 25 25 GLN HB2 H 1 2.420 . . 1 . . . . 25 GLN HB1 . 15060 1 48 . 1 1 25 25 GLN HB3 H 1 2.420 . . 1 . . . . 25 GLN HB2 . 15060 1 49 . 1 1 25 25 GLN HE21 H 1 7.703 . . 2 . . . . 25 GLN HE21 . 15060 1 50 . 1 1 25 25 GLN HE22 H 1 6.839 . . 2 . . . . 25 GLN HE22 . 15060 1 51 . 1 1 25 25 GLN C C 13 178.193 . . 1 . . . . 25 GLN C . 15060 1 52 . 1 1 25 25 GLN CA C 13 58.346 . . 1 . . . . 25 GLN CA . 15060 1 53 . 1 1 25 25 GLN CB C 13 28.102 . . 1 . . . . 25 GLN CB . 15060 1 54 . 1 1 25 25 GLN CG C 13 33.570 . . 1 . . . . 25 GLN CG . 15060 1 55 . 1 1 25 25 GLN N N 15 121.400 . . 1 . . . . 25 GLN N . 15060 1 56 . 1 1 25 25 GLN NE2 N 15 112.158 . . 1 . . . . 25 GLN NE2 . 15060 1 57 . 1 1 26 26 GLN H H 1 8.313 . . 1 . . . . 26 GLN HN . 15060 1 58 . 1 1 26 26 GLN HA H 1 4.110 . . 1 . . . . 26 GLN HA . 15060 1 59 . 1 1 26 26 GLN HB2 H 1 2.560 . . 2 . . . . 26 GLN HB1 . 15060 1 60 . 1 1 26 26 GLN HB3 H 1 2.420 . . 2 . . . . 26 GLN HB2 . 15060 1 61 . 1 1 26 26 GLN HE21 H 1 7.393 . . 2 . . . . 26 GLN HE21 . 15060 1 62 . 1 1 26 26 GLN HE22 H 1 6.770 . . 2 . . . . 26 GLN HE22 . 15060 1 63 . 1 1 26 26 GLN C C 13 177.820 . . 1 . . . . 26 GLN C . 15060 1 64 . 1 1 26 26 GLN CA C 13 58.680 . . 1 . . . . 26 GLN CA . 15060 1 65 . 1 1 26 26 GLN CB C 13 28.504 . . 1 . . . . 26 GLN CB . 15060 1 66 . 1 1 26 26 GLN CG C 13 34.510 . . 1 . . . . 26 GLN CG . 15060 1 67 . 1 1 26 26 GLN N N 15 119.279 . . 1 . . . . 26 GLN N . 15060 1 68 . 1 1 26 26 GLN NE2 N 15 111.116 . . 1 . . . . 26 GLN NE2 . 15060 1 69 . 1 1 27 27 GLU H H 1 8.197 . . 1 . . . . 27 GLU HN . 15060 1 70 . 1 1 27 27 GLU HA H 1 4.097 . . 1 . . . . 27 GLU HA . 15060 1 71 . 1 1 27 27 GLU HB2 H 1 2.290 . . 2 . . . . 27 GLU HB1 . 15060 1 72 . 1 1 27 27 GLU HB3 H 1 2.500 . . 2 . . . . 27 GLU HB2 . 15060 1 73 . 1 1 27 27 GLU C C 13 179.687 . . 1 . . . . 27 GLU C . 15060 1 74 . 1 1 27 27 GLU CA C 13 59.200 . . 1 . . . . 27 GLU CA . 15060 1 75 . 1 1 27 27 GLU CB C 13 29.287 . . 1 . . . . 27 GLU CB . 15060 1 76 . 1 1 27 27 GLU CG C 13 36.580 . . 1 . . . . 27 GLU CG . 15060 1 77 . 1 1 27 27 GLU N N 15 119.648 . . 1 . . . . 27 GLU N . 15060 1 78 . 1 1 28 28 ILE H H 1 8.021 . . 1 . . . . 28 ILE HN . 15060 1 79 . 1 1 28 28 ILE HA H 1 4.000 . . 1 . . . . 28 ILE HA . 15060 1 80 . 1 1 28 28 ILE HG21 H 1 0.950 . . 1 . . . . 28 ILE HG2 . 15060 1 81 . 1 1 28 28 ILE HG22 H 1 0.950 . . 1 . . . . 28 ILE HG2 . 15060 1 82 . 1 1 28 28 ILE HG23 H 1 0.950 . . 1 . . . . 28 ILE HG2 . 15060 1 83 . 1 1 28 28 ILE HD11 H 1 0.950 . . 1 . . . . 28 ILE HD1 . 15060 1 84 . 1 1 28 28 ILE HD12 H 1 0.950 . . 1 . . . . 28 ILE HD1 . 15060 1 85 . 1 1 28 28 ILE HD13 H 1 0.950 . . 1 . . . . 28 ILE HD1 . 15060 1 86 . 1 1 28 28 ILE C C 13 178.465 . . 1 . . . . 28 ILE C . 15060 1 87 . 1 1 28 28 ILE CA C 13 65.110 . . 1 . . . . 28 ILE CA . 15060 1 88 . 1 1 28 28 ILE CB C 13 37.963 . . 1 . . . . 28 ILE CB . 15060 1 89 . 1 1 28 28 ILE CG2 C 13 17.510 . . 1 . . . . 28 ILE CG2 . 15060 1 90 . 1 1 28 28 ILE CD1 C 13 13.460 . . 1 . . . . 28 ILE CD1 . 15060 1 91 . 1 1 28 28 ILE N N 15 121.869 . . 1 . . . . 28 ILE N . 15060 1 92 . 1 1 29 29 GLU H H 1 8.269 . . 1 . . . . 29 GLU HN . 15060 1 93 . 1 1 29 29 GLU HA H 1 4.020 . . 1 . . . . 29 GLU HA . 15060 1 94 . 1 1 29 29 GLU HB2 H 1 2.000 . . 2 . . . . 29 GLU HB1 . 15060 1 95 . 1 1 29 29 GLU HB3 H 1 1.880 . . 2 . . . . 29 GLU HB2 . 15060 1 96 . 1 1 29 29 GLU HG2 H 1 2.200 . . 2 . . . . 29 GLU HG1 . 15060 1 97 . 1 1 29 29 GLU HG3 H 1 2.370 . . 2 . . . . 29 GLU HG2 . 15060 1 98 . 1 1 29 29 GLU C C 13 179.964 . . 1 . . . . 29 GLU C . 15060 1 99 . 1 1 29 29 GLU CA C 13 59.510 . . 1 . . . . 29 GLU CA . 15060 1 100 . 1 1 29 29 GLU CB C 13 29.289 . . 1 . . . . 29 GLU CB . 15060 1 101 . 1 1 29 29 GLU CG C 13 36.580 . . 1 . . . . 29 GLU CG . 15060 1 102 . 1 1 29 29 GLU N N 15 120.647 . . 1 . . . . 29 GLU N . 15060 1 103 . 1 1 30 30 ALA H H 1 8.280 . . 1 . . . . 30 ALA HN . 15060 1 104 . 1 1 30 30 ALA HA H 1 3.840 . . 1 . . . . 30 ALA HA . 15060 1 105 . 1 1 30 30 ALA HB1 H 1 1.428 . . 1 . . . . 30 ALA HB . 15060 1 106 . 1 1 30 30 ALA HB2 H 1 1.428 . . 1 . . . . 30 ALA HB . 15060 1 107 . 1 1 30 30 ALA HB3 H 1 1.428 . . 1 . . . . 30 ALA HB . 15060 1 108 . 1 1 30 30 ALA C C 13 179.438 . . 1 . . . . 30 ALA C . 15060 1 109 . 1 1 30 30 ALA CA C 13 54.688 . . 1 . . . . 30 ALA CA . 15060 1 110 . 1 1 30 30 ALA CB C 13 18.428 . . 1 . . . . 30 ALA CB . 15060 1 111 . 1 1 30 30 ALA N N 15 122.373 . . 1 . . . . 30 ALA N . 15060 1 112 . 1 1 31 31 LYS H H 1 7.997 . . 1 . . . . 31 LYS HN . 15060 1 113 . 1 1 31 31 LYS HA H 1 4.010 . . 1 . . . . 31 LYS HA . 15060 1 114 . 1 1 31 31 LYS HB2 H 1 1.970 . . 2 . . . . 31 LYS HB1 . 15060 1 115 . 1 1 31 31 LYS HB3 H 1 2.020 . . 2 . . . . 31 LYS HB2 . 15060 1 116 . 1 1 31 31 LYS HG2 H 1 0.866 . . 2 . . . . 31 LYS HG1 . 15060 1 117 . 1 1 31 31 LYS HG3 H 1 1.180 . . 2 . . . . 31 LYS HG2 . 15060 1 118 . 1 1 31 31 LYS HD2 H 1 1.530 . . 2 . . . . 31 LYS HD1 . 15060 1 119 . 1 1 31 31 LYS HD3 H 1 1.470 . . 2 . . . . 31 LYS HD2 . 15060 1 120 . 1 1 31 31 LYS HE2 H 1 2.990 . . 2 . . . . 31 LYS HE1 . 15060 1 121 . 1 1 31 31 LYS HE3 H 1 2.870 . . 2 . . . . 31 LYS HE2 . 15060 1 122 . 1 1 31 31 LYS CA C 13 59.510 . . 1 . . . . 31 LYS CA . 15060 1 123 . 1 1 31 31 LYS CB C 13 32.153 . . 1 . . . . 31 LYS CB . 15060 1 124 . 1 1 31 31 LYS CG C 13 28.700 . . 1 . . . . 31 LYS CG . 15060 1 125 . 1 1 31 31 LYS CD C 13 25.070 . . 1 . . . . 31 LYS CD . 15060 1 126 . 1 1 31 31 LYS CE C 13 42.080 . . 1 . . . . 31 LYS CE . 15060 1 127 . 1 1 31 31 LYS N N 15 120.697 . . 1 . . . . 31 LYS N . 15060 1 128 . 1 1 32 32 GLU H H 1 8.236 . . 1 . . . . 32 GLU HN . 15060 1 129 . 1 1 32 32 GLU HA H 1 4.080 . . 1 . . . . 32 GLU HA . 15060 1 130 . 1 1 32 32 GLU HB2 H 1 2.110 . . 1 . . . . 32 GLU HB1 . 15060 1 131 . 1 1 32 32 GLU HB3 H 1 2.110 . . 1 . . . . 32 GLU HB2 . 15060 1 132 . 1 1 32 32 GLU HG2 H 1 2.310 . . 2 . . . . 32 GLU HG1 . 15060 1 133 . 1 1 32 32 GLU HG3 H 1 2.550 . . 2 . . . . 32 GLU HG2 . 15060 1 134 . 1 1 32 32 GLU CA C 13 59.970 . . 1 . . . . 32 GLU CA . 15060 1 135 . 1 1 32 32 GLU CB C 13 28.940 . . 1 . . . . 32 GLU CB . 15060 1 136 . 1 1 32 32 GLU CG C 13 36.728 . . 1 . . . . 32 GLU CG . 15060 1 137 . 1 1 32 32 GLU N N 15 118.525 . . 1 . . . . 32 GLU N . 15060 1 138 . 1 1 33 33 ALA H H 1 7.897 . . 1 . . . . 33 ALA HN . 15060 1 139 . 1 1 33 33 ALA HA H 1 3.840 . . 1 . . . . 33 ALA HA . 15060 1 140 . 1 1 33 33 ALA HB1 H 1 1.451 . . 1 . . . . 33 ALA HB . 15060 1 141 . 1 1 33 33 ALA HB2 H 1 1.451 . . 1 . . . . 33 ALA HB . 15060 1 142 . 1 1 33 33 ALA HB3 H 1 1.451 . . 1 . . . . 33 ALA HB . 15060 1 143 . 1 1 33 33 ALA C C 13 179.722 . . 1 . . . . 33 ALA C . 15060 1 144 . 1 1 33 33 ALA CA C 13 55.470 . . 1 . . . . 33 ALA CA . 15060 1 145 . 1 1 33 33 ALA CB C 13 17.690 . . 1 . . . . 33 ALA CB . 15060 1 146 . 1 1 33 33 ALA N N 15 121.629 . . 1 . . . . 33 ALA N . 15060 1 147 . 1 1 34 34 CYS H H 1 8.451 . . 1 . . . . 34 CYS HN . 15060 1 148 . 1 1 34 34 CYS HB2 H 1 3.280 . . 2 . . . . 34 CYS HB1 . 15060 1 149 . 1 1 34 34 CYS HB3 H 1 2.790 . . 2 . . . . 34 CYS HB2 . 15060 1 150 . 1 1 34 34 CYS C C 13 176.650 . . 1 . . . . 34 CYS C . 15060 1 151 . 1 1 34 34 CYS CA C 13 65.657 . . 1 . . . . 34 CYS CA . 15060 1 152 . 1 1 34 34 CYS CB C 13 27.250 . . 1 . . . . 34 CYS CB . 15060 1 153 . 1 1 34 34 CYS N N 15 116.884 . . 1 . . . . 34 CYS N . 15060 1 154 . 1 1 35 35 ASP H H 1 8.796 . . 1 . . . . 35 ASP HN . 15060 1 155 . 1 1 35 35 ASP HA H 1 4.370 . . 1 . . . . 35 ASP HA . 15060 1 156 . 1 1 35 35 ASP HB2 H 1 2.940 . . 2 . . . . 35 ASP HB1 . 15060 1 157 . 1 1 35 35 ASP HB3 H 1 2.710 . . 2 . . . . 35 ASP HB2 . 15060 1 158 . 1 1 35 35 ASP CA C 13 57.540 . . 1 . . . . 35 ASP CA . 15060 1 159 . 1 1 35 35 ASP CB C 13 39.903 . . 1 . . . . 35 ASP CB . 15060 1 160 . 1 1 35 35 ASP N N 15 120.621 . . 1 . . . . 35 ASP N . 15060 1 161 . 1 1 36 36 TRP H H 1 8.492 . . 1 . . . . 36 TRP HN . 15060 1 162 . 1 1 36 36 TRP HA H 1 4.010 . . 1 . . . . 36 TRP HA . 15060 1 163 . 1 1 36 36 TRP HB2 H 1 3.369 . . 2 . . . . 36 TRP HB1 . 15060 1 164 . 1 1 36 36 TRP HB3 H 1 3.508 . . 2 . . . . 36 TRP HB2 . 15060 1 165 . 1 1 36 36 TRP HD1 H 1 7.312 . . 1 . . . . 36 TRP HD1 . 15060 1 166 . 1 1 36 36 TRP HE1 H 1 10.148 . . 1 . . . . 36 TRP HE1 . 15060 1 167 . 1 1 36 36 TRP HE3 H 1 6.888 . . 1 . . . . 36 TRP HE3 . 15060 1 168 . 1 1 36 36 TRP HZ2 H 1 7.500 . . 1 . . . . 36 TRP HZ2 . 15060 1 169 . 1 1 36 36 TRP HZ3 H 1 7.080 . . 1 . . . . 36 TRP HZ3 . 15060 1 170 . 1 1 36 36 TRP HH2 H 1 7.065 . . 1 . . . . 36 TRP HH2 . 15060 1 171 . 1 1 36 36 TRP CA C 13 63.045 . . 1 . . . . 36 TRP CA . 15060 1 172 . 1 1 36 36 TRP CB C 13 29.484 . . 1 . . . . 36 TRP CB . 15060 1 173 . 1 1 36 36 TRP N N 15 122.912 . . 1 . . . . 36 TRP N . 15060 1 174 . 1 1 36 36 TRP NE1 N 15 130.106 . . 1 . . . . 36 TRP NE1 . 15060 1 175 . 1 1 37 37 LEU H H 1 8.733 . . 1 . . . . 37 LEU HN . 15060 1 176 . 1 1 37 37 LEU HA H 1 4.050 . . 1 . . . . 37 LEU HA . 15060 1 177 . 1 1 37 37 LEU HB2 H 1 2.230 . . 2 . . . . 37 LEU HB1 . 15060 1 178 . 1 1 37 37 LEU HB3 H 1 1.940 . . 2 . . . . 37 LEU HB2 . 15060 1 179 . 1 1 37 37 LEU HD11 H 1 1.280 . . 2 . . . . 37 LEU HD1 . 15060 1 180 . 1 1 37 37 LEU HD12 H 1 1.280 . . 2 . . . . 37 LEU HD1 . 15060 1 181 . 1 1 37 37 LEU HD13 H 1 1.280 . . 2 . . . . 37 LEU HD1 . 15060 1 182 . 1 1 37 37 LEU HD21 H 1 0.880 . . 2 . . . . 37 LEU HD2 . 15060 1 183 . 1 1 37 37 LEU HD22 H 1 0.880 . . 2 . . . . 37 LEU HD2 . 15060 1 184 . 1 1 37 37 LEU HD23 H 1 0.880 . . 2 . . . . 37 LEU HD2 . 15060 1 185 . 1 1 37 37 LEU CA C 13 58.680 . . 1 . . . . 37 LEU CA . 15060 1 186 . 1 1 37 37 LEU CB C 13 41.367 . . 1 . . . . 37 LEU CB . 15060 1 187 . 1 1 37 37 LEU CD1 C 13 25.285 . . 1 . . . . 37 LEU CD1 . 15060 1 188 . 1 1 37 37 LEU CD2 C 13 27.414 . . 1 . . . . 37 LEU CD2 . 15060 1 189 . 1 1 37 37 LEU N N 15 118.921 . . 1 . . . . 37 LEU N . 15060 1 190 . 1 1 38 38 ARG H H 1 8.032 . . 1 . . . . 38 ARG HN . 15060 1 191 . 1 1 38 38 ARG HA H 1 3.640 . . 1 . . . . 38 ARG HA . 15060 1 192 . 1 1 38 38 ARG HB2 H 1 1.910 . . 1 . . . . 38 ARG HB1 . 15060 1 193 . 1 1 38 38 ARG HB3 H 1 1.910 . . 1 . . . . 38 ARG HB2 . 15060 1 194 . 1 1 38 38 ARG HG2 H 1 1.500 . . 1 . . . . 38 ARG HG1 . 15060 1 195 . 1 1 38 38 ARG HG3 H 1 1.500 . . 1 . . . . 38 ARG HG2 . 15060 1 196 . 1 1 38 38 ARG HD2 H 1 3.230 . . 1 . . . . 38 ARG HD1 . 15060 1 197 . 1 1 38 38 ARG HD3 H 1 3.230 . . 1 . . . . 38 ARG HD2 . 15060 1 198 . 1 1 38 38 ARG CA C 13 61.164 . . 1 . . . . 38 ARG CA . 15060 1 199 . 1 1 38 38 ARG CB C 13 30.370 . . 1 . . . . 38 ARG CB . 15060 1 200 . 1 1 38 38 ARG CD C 13 43.171 . . 1 . . . . 38 ARG CD . 15060 1 201 . 1 1 38 38 ARG N N 15 116.327 . . 1 . . . . 38 ARG N . 15060 1 202 . 1 1 39 39 ALA H H 1 7.900 . . 1 . . . . 39 ALA HN . 15060 1 203 . 1 1 39 39 ALA HA H 1 4.030 . . 1 . . . . 39 ALA HA . 15060 1 204 . 1 1 39 39 ALA HB1 H 1 1.307 . . 1 . . . . 39 ALA HB . 15060 1 205 . 1 1 39 39 ALA HB2 H 1 1.307 . . 1 . . . . 39 ALA HB . 15060 1 206 . 1 1 39 39 ALA HB3 H 1 1.307 . . 1 . . . . 39 ALA HB . 15060 1 207 . 1 1 39 39 ALA C C 13 178.908 . . 1 . . . . 39 ALA C . 15060 1 208 . 1 1 39 39 ALA CA C 13 54.507 . . 1 . . . . 39 ALA CA . 15060 1 209 . 1 1 39 39 ALA CB C 13 18.110 . . 1 . . . . 39 ALA CB . 15060 1 210 . 1 1 39 39 ALA N N 15 122.812 . . 1 . . . . 39 ALA N . 15060 1 211 . 1 1 40 40 ALA H H 1 8.067 . . 1 . . . . 40 ALA HN . 15060 1 212 . 1 1 40 40 ALA HA H 1 3.930 . . 1 . . . . 40 ALA HA . 15060 1 213 . 1 1 40 40 ALA HB1 H 1 0.440 . . 1 . . . . 40 ALA HB . 15060 1 214 . 1 1 40 40 ALA HB2 H 1 0.440 . . 1 . . . . 40 ALA HB . 15060 1 215 . 1 1 40 40 ALA HB3 H 1 0.440 . . 1 . . . . 40 ALA HB . 15060 1 216 . 1 1 40 40 ALA C C 13 176.516 . . 1 . . . . 40 ALA C . 15060 1 217 . 1 1 40 40 ALA CA C 13 51.929 . . 1 . . . . 40 ALA CA . 15060 1 218 . 1 1 40 40 ALA CB C 13 18.100 . . 1 . . . . 40 ALA CB . 15060 1 219 . 1 1 40 40 ALA N N 15 118.343 . . 1 . . . . 40 ALA N . 15060 1 220 . 1 1 41 41 GLY H H 1 7.093 . . 1 . . . . 41 GLY HN . 15060 1 221 . 1 1 41 41 GLY HA2 H 1 3.920 . . 2 . . . . 41 GLY HA1 . 15060 1 222 . 1 1 41 41 GLY HA3 H 1 3.560 . . 2 . . . . 41 GLY HA2 . 15060 1 223 . 1 1 41 41 GLY C C 13 173.204 . . 1 . . . . 41 GLY C . 15060 1 224 . 1 1 41 41 GLY CA C 13 44.660 . . 1 . . . . 41 GLY CA . 15060 1 225 . 1 1 41 41 GLY N N 15 101.824 . . 1 . . . . 41 GLY N . 15060 1 226 . 1 1 42 42 PHE H H 1 8.648 . . 1 . . . . 42 PHE HN . 15060 1 227 . 1 1 42 42 PHE HA H 1 5.222 . . 1 . . . . 42 PHE HA . 15060 1 228 . 1 1 42 42 PHE HB2 H 1 3.500 . . 2 . . . . 42 PHE HB1 . 15060 1 229 . 1 1 42 42 PHE HB3 H 1 2.980 . . 2 . . . . 42 PHE HB2 . 15060 1 230 . 1 1 42 42 PHE HD1 H 1 7.093 . . 3 . . . . 42 PHE HD1 . 15060 1 231 . 1 1 42 42 PHE HE1 H 1 7.174 . . 3 . . . . 42 PHE HE1 . 15060 1 232 . 1 1 42 42 PHE HZ H 1 7.164 . . 1 . . . . 42 PHE HZ . 15060 1 233 . 1 1 42 42 PHE CA C 13 54.796 . . 1 . . . . 42 PHE CA . 15060 1 234 . 1 1 42 42 PHE CB C 13 40.411 . . 1 . . . . 42 PHE CB . 15060 1 235 . 1 1 42 42 PHE N N 15 118.308 . . 1 . . . . 42 PHE N . 15060 1 236 . 1 1 43 43 PRO HA H 1 4.040 . . 1 . . . . 43 PRO HA . 15060 1 237 . 1 1 43 43 PRO HB2 H 1 1.780 . . 2 . . . . 43 PRO HB1 . 15060 1 238 . 1 1 43 43 PRO HB3 H 1 1.600 . . 2 . . . . 43 PRO HB2 . 15060 1 239 . 1 1 43 43 PRO HG2 H 1 2.140 . . 2 . . . . 43 PRO HG1 . 15060 1 240 . 1 1 43 43 PRO HG3 H 1 2.190 . . 2 . . . . 43 PRO HG2 . 15060 1 241 . 1 1 43 43 PRO HD2 H 1 2.970 . . 2 . . . . 43 PRO HD2 . 15060 1 242 . 1 1 43 43 PRO C C 13 177.948 . . 1 . . . . 43 PRO C . 15060 1 243 . 1 1 43 43 PRO CA C 13 65.740 . . 1 . . . . 43 PRO CA . 15060 1 244 . 1 1 43 43 PRO CB C 13 31.390 . . 1 . . . . 43 PRO CB . 15060 1 245 . 1 1 43 43 PRO CG C 13 27.140 . . 1 . . . . 43 PRO CG . 15060 1 246 . 1 1 43 43 PRO CD C 13 50.790 . . 1 . . . . 43 PRO CD . 15060 1 247 . 1 1 44 44 GLN H H 1 10.134 . . 1 . . . . 44 GLN HN . 15060 1 248 . 1 1 44 44 GLN HA H 1 4.280 . . 1 . . . . 44 GLN HA . 15060 1 249 . 1 1 44 44 GLN HB2 H 1 1.600 . . 1 . . . . 44 GLN HB1 . 15060 1 250 . 1 1 44 44 GLN HB3 H 1 1.600 . . 1 . . . . 44 GLN HB2 . 15060 1 251 . 1 1 44 44 GLN HG2 H 1 2.340 . . 1 . . . . 44 GLN HG1 . 15060 1 252 . 1 1 44 44 GLN HG3 H 1 2.340 . . 1 . . . . 44 GLN HG2 . 15060 1 253 . 1 1 44 44 GLN HE21 H 1 7.600 . . 2 . . . . 44 GLN HE21 . 15060 1 254 . 1 1 44 44 GLN HE22 H 1 7.526 . . 2 . . . . 44 GLN HE22 . 15060 1 255 . 1 1 44 44 GLN C C 13 177.986 . . 1 . . . . 44 GLN C . 15060 1 256 . 1 1 44 44 GLN CA C 13 58.060 . . 1 . . . . 44 GLN CA . 15060 1 257 . 1 1 44 44 GLN CB C 13 26.080 . . 1 . . . . 44 GLN CB . 15060 1 258 . 1 1 44 44 GLN CG C 13 31.780 . . 1 . . . . 44 GLN CG . 15060 1 259 . 1 1 44 44 GLN N N 15 121.355 . . 1 . . . . 44 GLN N . 15060 1 260 . 1 1 44 44 GLN NE2 N 15 111.932 . . 1 . . . . 44 GLN NE2 . 15060 1 261 . 1 1 45 45 TYR H H 1 7.241 . . 1 . . . . 45 TYR HN . 15060 1 262 . 1 1 45 45 TYR HA H 1 4.790 . . 1 . . . . 45 TYR HA . 15060 1 263 . 1 1 45 45 TYR HB2 H 1 3.320 . . 2 . . . . 45 TYR HB1 . 15060 1 264 . 1 1 45 45 TYR HB3 H 1 3.030 . . 2 . . . . 45 TYR HB2 . 15060 1 265 . 1 1 45 45 TYR HD1 H 1 7.135 . . 3 . . . . 45 TYR HD1 . 15060 1 266 . 1 1 45 45 TYR HE1 H 1 6.846 . . 3 . . . . 45 TYR HE1 . 15060 1 267 . 1 1 45 45 TYR C C 13 176.869 . . 1 . . . . 45 TYR C . 15060 1 268 . 1 1 45 45 TYR CA C 13 60.770 . . 1 . . . . 45 TYR CA . 15060 1 269 . 1 1 45 45 TYR CB C 13 39.240 . . 1 . . . . 45 TYR CB . 15060 1 270 . 1 1 45 45 TYR N N 15 119.170 . . 1 . . . . 45 TYR N . 15060 1 271 . 1 1 46 46 ALA H H 1 6.875 . . 1 . . . . 46 ALA HN . 15060 1 272 . 1 1 46 46 ALA HA H 1 4.310 . . 1 . . . . 46 ALA HA . 15060 1 273 . 1 1 46 46 ALA HB1 H 1 1.600 . . 1 . . . . 46 ALA HB . 15060 1 274 . 1 1 46 46 ALA HB2 H 1 1.600 . . 1 . . . . 46 ALA HB . 15060 1 275 . 1 1 46 46 ALA HB3 H 1 1.600 . . 1 . . . . 46 ALA HB . 15060 1 276 . 1 1 46 46 ALA C C 13 178.737 . . 1 . . . . 46 ALA C . 15060 1 277 . 1 1 46 46 ALA CA C 13 54.908 . . 1 . . . . 46 ALA CA . 15060 1 278 . 1 1 46 46 ALA CB C 13 18.500 . . 1 . . . . 46 ALA CB . 15060 1 279 . 1 1 46 46 ALA N N 15 121.385 . . 1 . . . . 46 ALA N . 15060 1 280 . 1 1 47 47 GLN H H 1 8.114 . . 1 . . . . 47 GLN HN . 15060 1 281 . 1 1 47 47 GLN HA H 1 3.910 . . 1 . . . . 47 GLN HA . 15060 1 282 . 1 1 47 47 GLN HB2 H 1 2.190 . . 2 . . . . 47 GLN HB1 . 15060 1 283 . 1 1 47 47 GLN HB3 H 1 2.090 . . 2 . . . . 47 GLN HB2 . 15060 1 284 . 1 1 47 47 GLN HG2 H 1 2.420 . . 1 . . . . 47 GLN HG1 . 15060 1 285 . 1 1 47 47 GLN HG3 H 1 2.420 . . 1 . . . . 47 GLN HG2 . 15060 1 286 . 1 1 47 47 GLN HE21 H 1 7.884 . . 2 . . . . 47 GLN HE21 . 15060 1 287 . 1 1 47 47 GLN HE22 H 1 6.867 . . 2 . . . . 47 GLN HE22 . 15060 1 288 . 1 1 47 47 GLN C C 13 177.788 . . 1 . . . . 47 GLN C . 15060 1 289 . 1 1 47 47 GLN CA C 13 58.470 . . 1 . . . . 47 GLN CA . 15060 1 290 . 1 1 47 47 GLN CB C 13 28.181 . . 1 . . . . 47 GLN CB . 15060 1 291 . 1 1 47 47 GLN CG C 13 33.270 . . 1 . . . . 47 GLN CG . 15060 1 292 . 1 1 47 47 GLN N N 15 117.390 . . 1 . . . . 47 GLN N . 15060 1 293 . 1 1 47 47 GLN NE2 N 15 115.368 . . 1 . . . . 47 GLN NE2 . 15060 1 294 . 1 1 48 48 LEU H H 1 7.831 . . 1 . . . . 48 LEU HN . 15060 1 295 . 1 1 48 48 LEU HA H 1 4.760 . . 1 . . . . 48 LEU HA . 15060 1 296 . 1 1 48 48 LEU HG H 1 1.930 . . 1 . . . . 48 LEU HG . 15060 1 297 . 1 1 48 48 LEU HD11 H 1 0.950 . . 2 . . . . 48 LEU HD1 . 15060 1 298 . 1 1 48 48 LEU HD12 H 1 0.950 . . 2 . . . . 48 LEU HD1 . 15060 1 299 . 1 1 48 48 LEU HD13 H 1 0.950 . . 2 . . . . 48 LEU HD1 . 15060 1 300 . 1 1 48 48 LEU HD21 H 1 0.970 . . 2 . . . . 48 LEU HD2 . 15060 1 301 . 1 1 48 48 LEU HD22 H 1 0.970 . . 2 . . . . 48 LEU HD2 . 15060 1 302 . 1 1 48 48 LEU HD23 H 1 0.970 . . 2 . . . . 48 LEU HD2 . 15060 1 303 . 1 1 48 48 LEU CA C 13 58.303 . . 1 . . . . 48 LEU CA . 15060 1 304 . 1 1 48 48 LEU CB C 13 43.630 . . 1 . . . . 48 LEU CB . 15060 1 305 . 1 1 48 48 LEU CG C 13 27.530 . . 1 . . . . 48 LEU CG . 15060 1 306 . 1 1 48 48 LEU CD1 C 13 23.762 . . 1 . . . . 48 LEU CD1 . 15060 1 307 . 1 1 48 48 LEU CD2 C 13 25.460 . . 1 . . . . 48 LEU CD2 . 15060 1 308 . 1 1 48 48 LEU N N 15 118.032 . . 1 . . . . 48 LEU N . 15060 1 309 . 1 1 49 49 TYR H H 1 7.761 . . 1 . . . . 49 TYR HN . 15060 1 310 . 1 1 49 49 TYR HA H 1 3.920 . . 1 . . . . 49 TYR HA . 15060 1 311 . 1 1 49 49 TYR HB2 H 1 2.150 . . 2 . . . . 49 TYR HB1 . 15060 1 312 . 1 1 49 49 TYR HB3 H 1 2.930 . . 2 . . . . 49 TYR HB2 . 15060 1 313 . 1 1 49 49 TYR HD1 H 1 6.400 . . 3 . . . . 49 TYR HD1 . 15060 1 314 . 1 1 49 49 TYR HE1 H 1 6.652 . . 3 . . . . 49 TYR HE1 . 15060 1 315 . 1 1 49 49 TYR C C 13 180.267 . . 1 . . . . 49 TYR C . 15060 1 316 . 1 1 49 49 TYR CA C 13 62.289 . . 1 . . . . 49 TYR CA . 15060 1 317 . 1 1 49 49 TYR CB C 13 37.537 . . 1 . . . . 49 TYR CB . 15060 1 318 . 1 1 49 49 TYR CE1 C 13 115.708 . . 3 . . . . 49 TYR CE1 . 15060 1 319 . 1 1 49 49 TYR N N 15 119.359 . . 1 . . . . 49 TYR N . 15060 1 320 . 1 1 50 50 GLU H H 1 8.499 . . 1 . . . . 50 GLU HN . 15060 1 321 . 1 1 50 50 GLU HA H 1 3.860 . . 1 . . . . 50 GLU HA . 15060 1 322 . 1 1 50 50 GLU HB2 H 1 2.170 . . 2 . . . . 50 GLU HB1 . 15060 1 323 . 1 1 50 50 GLU HB3 H 1 2.090 . . 2 . . . . 50 GLU HB2 . 15060 1 324 . 1 1 50 50 GLU HG2 H 1 2.400 . . 2 . . . . 50 GLU HG1 . 15060 1 325 . 1 1 50 50 GLU HG3 H 1 2.740 . . 2 . . . . 50 GLU HG2 . 15060 1 326 . 1 1 50 50 GLU C C 13 177.479 . . 1 . . . . 50 GLU C . 15060 1 327 . 1 1 50 50 GLU CA C 13 59.232 . . 1 . . . . 50 GLU CA . 15060 1 328 . 1 1 50 50 GLU CB C 13 28.792 . . 1 . . . . 50 GLU CB . 15060 1 329 . 1 1 50 50 GLU CG C 13 37.102 . . 1 . . . . 50 GLU CG . 15060 1 330 . 1 1 50 50 GLU N N 15 123.085 . . 1 . . . . 50 GLU N . 15060 1 331 . 1 1 51 51 ASP H H 1 8.126 . . 1 . . . . 51 ASP HN . 15060 1 332 . 1 1 51 51 ASP HA H 1 4.850 . . 1 . . . . 51 ASP HA . 15060 1 333 . 1 1 51 51 ASP HB2 H 1 2.980 . . 2 . . . . 51 ASP HB1 . 15060 1 334 . 1 1 51 51 ASP HB3 H 1 2.730 . . 2 . . . . 51 ASP HB2 . 15060 1 335 . 1 1 51 51 ASP C C 13 175.657 . . 1 . . . . 51 ASP C . 15060 1 336 . 1 1 51 51 ASP CA C 13 54.320 . . 1 . . . . 51 ASP CA . 15060 1 337 . 1 1 51 51 ASP CB C 13 40.650 . . 1 . . . . 51 ASP CB . 15060 1 338 . 1 1 51 51 ASP N N 15 118.623 . . 1 . . . . 51 ASP N . 15060 1 339 . 1 1 52 52 SER H H 1 7.882 . . 1 . . . . 52 SER HN . 15060 1 340 . 1 1 52 52 SER HA H 1 4.380 . . 1 . . . . 52 SER HA . 15060 1 341 . 1 1 52 52 SER HB2 H 1 4.106 . . 2 . . . . 52 SER HB1 . 15060 1 342 . 1 1 52 52 SER HB3 H 1 3.833 . . 2 . . . . 52 SER HB2 . 15060 1 343 . 1 1 52 52 SER C C 13 175.316 . . 1 . . . . 52 SER C . 15060 1 344 . 1 1 52 52 SER CA C 13 59.600 . . 1 . . . . 52 SER CA . 15060 1 345 . 1 1 52 52 SER CB C 13 61.690 . . 1 . . . . 52 SER CB . 15060 1 346 . 1 1 52 52 SER N N 15 111.515 . . 1 . . . . 52 SER N . 15060 1 347 . 1 1 53 53 GLN H H 1 8.169 . . 1 . . . . 53 GLN HN . 15060 1 348 . 1 1 53 53 GLN HA H 1 4.530 . . 1 . . . . 53 GLN HA . 15060 1 349 . 1 1 53 53 GLN HB2 H 1 2.460 . . 1 . . . . 53 GLN HB1 . 15060 1 350 . 1 1 53 53 GLN HB3 H 1 2.460 . . 1 . . . . 53 GLN HB2 . 15060 1 351 . 1 1 53 53 GLN HG2 H 1 2.410 . . 2 . . . . 53 GLN HG1 . 15060 1 352 . 1 1 53 53 GLN HG3 H 1 2.240 . . 2 . . . . 53 GLN HG2 . 15060 1 353 . 1 1 53 53 GLN HE21 H 1 7.337 . . 2 . . . . 53 GLN HE21 . 15060 1 354 . 1 1 53 53 GLN HE22 H 1 6.871 . . 2 . . . . 53 GLN HE22 . 15060 1 355 . 1 1 53 53 GLN C C 13 175.714 . . 1 . . . . 53 GLN C . 15060 1 356 . 1 1 53 53 GLN CA C 13 54.740 . . 1 . . . . 53 GLN CA . 15060 1 357 . 1 1 53 53 GLN CB C 13 29.200 . . 1 . . . . 53 GLN CB . 15060 1 358 . 1 1 53 53 GLN CG C 13 33.647 . . 1 . . . . 53 GLN CG . 15060 1 359 . 1 1 53 53 GLN N N 15 114.417 . . 1 . . . . 53 GLN N . 15060 1 360 . 1 1 53 53 GLN NE2 N 15 113.885 . . 1 . . . . 53 GLN NE2 . 15060 1 361 . 1 1 54 54 PHE H H 1 8.165 . . 1 . . . . 54 PHE HN . 15060 1 362 . 1 1 54 54 PHE HA H 1 4.326 . . 1 . . . . 54 PHE HA . 15060 1 363 . 1 1 54 54 PHE HB2 H 1 2.637 . . 2 . . . . 54 PHE HB1 . 15060 1 364 . 1 1 54 54 PHE HB3 H 1 2.330 . . 2 . . . . 54 PHE HB2 . 15060 1 365 . 1 1 54 54 PHE HD1 H 1 7.421 . . 3 . . . . 54 PHE HD1 . 15060 1 366 . 1 1 54 54 PHE HE1 H 1 7.603 . . 3 . . . . 54 PHE HE1 . 15060 1 367 . 1 1 54 54 PHE HZ H 1 7.093 . . 1 . . . . 54 PHE HZ . 15060 1 368 . 1 1 54 54 PHE CA C 13 57.434 . . 1 . . . . 54 PHE CA . 15060 1 369 . 1 1 54 54 PHE CB C 13 39.409 . . 1 . . . . 54 PHE CB . 15060 1 370 . 1 1 54 54 PHE N N 15 121.830 . . 1 . . . . 54 PHE N . 15060 1 371 . 1 1 55 55 PRO HA H 1 4.910 . . 1 . . . . 55 PRO HA . 15060 1 372 . 1 1 55 55 PRO HB2 H 1 2.310 . . 2 . . . . 55 PRO HB1 . 15060 1 373 . 1 1 55 55 PRO HB3 H 1 2.010 . . 2 . . . . 55 PRO HB2 . 15060 1 374 . 1 1 55 55 PRO HG2 H 1 1.840 . . 1 . . . . 55 PRO HG1 . 15060 1 375 . 1 1 55 55 PRO HG3 H 1 1.840 . . 1 . . . . 55 PRO HG2 . 15060 1 376 . 1 1 55 55 PRO HD2 H 1 3.620 . . 2 . . . . 55 PRO HD1 . 15060 1 377 . 1 1 55 55 PRO HD3 H 1 3.840 . . 2 . . . . 55 PRO HD2 . 15060 1 378 . 1 1 55 55 PRO C C 13 174.820 . . 1 . . . . 55 PRO C . 15060 1 379 . 1 1 55 55 PRO CA C 13 62.310 . . 1 . . . . 55 PRO CA . 15060 1 380 . 1 1 55 55 PRO CB C 13 36.270 . . 1 . . . . 55 PRO CB . 15060 1 381 . 1 1 55 55 PRO CG C 13 24.684 . . 1 . . . . 55 PRO CG . 15060 1 382 . 1 1 55 55 PRO CD C 13 51.730 . . 1 . . . . 55 PRO CD . 15060 1 383 . 1 1 56 56 ILE H H 1 8.972 . . 1 . . . . 56 ILE HN . 15060 1 384 . 1 1 56 56 ILE HA H 1 4.476 . . 1 . . . . 56 ILE HA . 15060 1 385 . 1 1 56 56 ILE HB H 1 1.040 . . 1 . . . . 56 ILE HB . 15060 1 386 . 1 1 56 56 ILE HG12 H 1 0.490 . . 1 . . . . 56 ILE HG11 . 15060 1 387 . 1 1 56 56 ILE HG13 H 1 0.910 . . 1 . . . . 56 ILE HG12 . 15060 1 388 . 1 1 56 56 ILE HG21 H 1 0.220 . . 1 . . . . 56 ILE HG2 . 15060 1 389 . 1 1 56 56 ILE HG22 H 1 0.220 . . 1 . . . . 56 ILE HG2 . 15060 1 390 . 1 1 56 56 ILE HG23 H 1 0.220 . . 1 . . . . 56 ILE HG2 . 15060 1 391 . 1 1 56 56 ILE HD11 H 1 0.510 . . 1 . . . . 56 ILE HD1 . 15060 1 392 . 1 1 56 56 ILE HD12 H 1 0.510 . . 1 . . . . 56 ILE HD1 . 15060 1 393 . 1 1 56 56 ILE HD13 H 1 0.510 . . 1 . . . . 56 ILE HD1 . 15060 1 394 . 1 1 56 56 ILE CA C 13 58.905 . . 1 . . . . 56 ILE CA . 15060 1 395 . 1 1 56 56 ILE CB C 13 41.243 . . 1 . . . . 56 ILE CB . 15060 1 396 . 1 1 56 56 ILE CG1 C 13 26.346 . . 1 . . . . 56 ILE CG1 . 15060 1 397 . 1 1 56 56 ILE CG2 C 13 17.560 . . 1 . . . . 56 ILE CG2 . 15060 1 398 . 1 1 56 56 ILE CD1 C 13 15.280 . . 1 . . . . 56 ILE CD1 . 15060 1 399 . 1 1 56 56 ILE N N 15 119.002 . . 1 . . . . 56 ILE N . 15060 1 400 . 1 1 57 57 ASN H H 1 8.390 . . 1 . . . . 57 ASN HN . 15060 1 401 . 1 1 57 57 ASN HA H 1 4.660 . . 1 . . . . 57 ASN HA . 15060 1 402 . 1 1 57 57 ASN HB2 H 1 3.010 . . 2 . . . . 57 ASN HB1 . 15060 1 403 . 1 1 57 57 ASN HB3 H 1 2.720 . . 2 . . . . 57 ASN HB2 . 15060 1 404 . 1 1 57 57 ASN HD21 H 1 7.007 . . 2 . . . . 57 ASN HD21 . 15060 1 405 . 1 1 57 57 ASN HD22 H 1 7.710 . . 2 . . . . 57 ASN HD22 . 15060 1 406 . 1 1 57 57 ASN C C 13 175.602 . . 1 . . . . 57 ASN C . 15060 1 407 . 1 1 57 57 ASN CA C 13 52.500 . . 1 . . . . 57 ASN CA . 15060 1 408 . 1 1 57 57 ASN CB C 13 38.030 . . 1 . . . . 57 ASN CB . 15060 1 409 . 1 1 57 57 ASN N N 15 122.152 . . 1 . . . . 57 ASN N . 15060 1 410 . 1 1 57 57 ASN ND2 N 15 111.858 . . 1 . . . . 57 ASN ND2 . 15060 1 411 . 1 1 58 58 ILE H H 1 8.611 . . 1 . . . . 58 ILE HN . 15060 1 412 . 1 1 58 58 ILE HA H 1 4.360 . . 1 . . . . 58 ILE HA . 15060 1 413 . 1 1 58 58 ILE HB H 1 1.560 . . 1 . . . . 58 ILE HB . 15060 1 414 . 1 1 58 58 ILE HG21 H 1 0.860 . . 1 . . . . 58 ILE HG2 . 15060 1 415 . 1 1 58 58 ILE HG22 H 1 0.860 . . 1 . . . . 58 ILE HG2 . 15060 1 416 . 1 1 58 58 ILE HG23 H 1 0.860 . . 1 . . . . 58 ILE HG2 . 15060 1 417 . 1 1 58 58 ILE HD11 H 1 0.750 . . 1 . . . . 58 ILE HD1 . 15060 1 418 . 1 1 58 58 ILE HD12 H 1 0.750 . . 1 . . . . 58 ILE HD1 . 15060 1 419 . 1 1 58 58 ILE HD13 H 1 0.750 . . 1 . . . . 58 ILE HD1 . 15060 1 420 . 1 1 58 58 ILE CA C 13 64.572 . . 1 . . . . 58 ILE CA . 15060 1 421 . 1 1 58 58 ILE CB C 13 37.000 . . 1 . . . . 58 ILE CB . 15060 1 422 . 1 1 58 58 ILE CG1 C 13 28.920 . . 1 . . . . 58 ILE CG1 . 15060 1 423 . 1 1 58 58 ILE CG2 C 13 17.650 . . 1 . . . . 58 ILE CG2 . 15060 1 424 . 1 1 58 58 ILE CD1 C 13 12.800 . . 1 . . . . 58 ILE CD1 . 15060 1 425 . 1 1 58 58 ILE N N 15 128.642 . . 1 . . . . 58 ILE N . 15060 1 426 . 1 1 59 59 ALA H H 1 8.080 . . 1 . . . . 59 ALA HN . 15060 1 427 . 1 1 59 59 ALA HA H 1 3.970 . . 1 . . . . 59 ALA HA . 15060 1 428 . 1 1 59 59 ALA HB1 H 1 1.450 . . 1 . . . . 59 ALA HB . 15060 1 429 . 1 1 59 59 ALA HB2 H 1 1.450 . . 1 . . . . 59 ALA HB . 15060 1 430 . 1 1 59 59 ALA HB3 H 1 1.450 . . 1 . . . . 59 ALA HB . 15060 1 431 . 1 1 59 59 ALA C C 13 180.605 . . 1 . . . . 59 ALA C . 15060 1 432 . 1 1 59 59 ALA CA C 13 55.449 . . 1 . . . . 59 ALA CA . 15060 1 433 . 1 1 59 59 ALA CB C 13 17.417 . . 1 . . . . 59 ALA CB . 15060 1 434 . 1 1 59 59 ALA N N 15 122.287 . . 1 . . . . 59 ALA N . 15060 1 435 . 1 1 60 60 ALA H H 1 7.422 . . 1 . . . . 60 ALA HN . 15060 1 436 . 1 1 60 60 ALA HA H 1 4.080 . . 1 . . . . 60 ALA HA . 15060 1 437 . 1 1 60 60 ALA HB1 H 1 1.450 . . 1 . . . . 60 ALA HB . 15060 1 438 . 1 1 60 60 ALA HB2 H 1 1.450 . . 1 . . . . 60 ALA HB . 15060 1 439 . 1 1 60 60 ALA HB3 H 1 1.450 . . 1 . . . . 60 ALA HB . 15060 1 440 . 1 1 60 60 ALA C C 13 179.611 . . 1 . . . . 60 ALA C . 15060 1 441 . 1 1 60 60 ALA CA C 13 54.596 . . 1 . . . . 60 ALA CA . 15060 1 442 . 1 1 60 60 ALA CB C 13 18.200 . . 1 . . . . 60 ALA CB . 15060 1 443 . 1 1 60 60 ALA N N 15 119.996 . . 1 . . . . 60 ALA N . 15060 1 444 . 1 1 61 61 VAL H H 1 7.380 . . 1 . . . . 61 VAL HN . 15060 1 445 . 1 1 61 61 VAL HA H 1 3.790 . . 1 . . . . 61 VAL HA . 15060 1 446 . 1 1 61 61 VAL HB H 1 2.147 . . 1 . . . . 61 VAL HB . 15060 1 447 . 1 1 61 61 VAL HG11 H 1 0.710 . . 2 . . . . 61 VAL HG1 . 15060 1 448 . 1 1 61 61 VAL HG12 H 1 0.710 . . 2 . . . . 61 VAL HG1 . 15060 1 449 . 1 1 61 61 VAL HG13 H 1 0.710 . . 2 . . . . 61 VAL HG1 . 15060 1 450 . 1 1 61 61 VAL HG21 H 1 0.870 . . 2 . . . . 61 VAL HG2 . 15060 1 451 . 1 1 61 61 VAL HG22 H 1 0.870 . . 2 . . . . 61 VAL HG2 . 15060 1 452 . 1 1 61 61 VAL HG23 H 1 0.870 . . 2 . . . . 61 VAL HG2 . 15060 1 453 . 1 1 61 61 VAL C C 13 178.719 . . 1 . . . . 61 VAL C . 15060 1 454 . 1 1 61 61 VAL CA C 13 66.094 . . 1 . . . . 61 VAL CA . 15060 1 455 . 1 1 61 61 VAL CB C 13 31.329 . . 1 . . . . 61 VAL CB . 15060 1 456 . 1 1 61 61 VAL CG1 C 13 20.790 . . 1 . . . . 61 VAL CG1 . 15060 1 457 . 1 1 61 61 VAL CG2 C 13 21.750 . . 1 . . . . 61 VAL CG2 . 15060 1 458 . 1 1 61 61 VAL N N 15 119.124 . . 1 . . . . 61 VAL N . 15060 1 459 . 1 1 62 62 LYS H H 1 8.236 . . 1 . . . . 62 LYS HN . 15060 1 460 . 1 1 62 62 LYS HA H 1 3.640 . . 1 . . . . 62 LYS HA . 15060 1 461 . 1 1 62 62 LYS HB2 H 1 1.790 . . 2 . . . . 62 LYS HB1 . 15060 1 462 . 1 1 62 62 LYS HB3 H 1 1.760 . . 2 . . . . 62 LYS HB2 . 15060 1 463 . 1 1 62 62 LYS HG2 H 1 1.630 . . 1 . . . . 62 LYS HG1 . 15060 1 464 . 1 1 62 62 LYS HG3 H 1 1.630 . . 1 . . . . 62 LYS HG2 . 15060 1 465 . 1 1 62 62 LYS HD2 H 1 1.150 . . 2 . . . . 62 LYS HD1 . 15060 1 466 . 1 1 62 62 LYS HD3 H 1 1.470 . . 2 . . . . 62 LYS HD2 . 15060 1 467 . 1 1 62 62 LYS HE2 H 1 2.860 . . 1 . . . . 62 LYS HE1 . 15060 1 468 . 1 1 62 62 LYS HE3 H 1 2.860 . . 1 . . . . 62 LYS HE2 . 15060 1 469 . 1 1 62 62 LYS C C 13 178.777 . . 1 . . . . 62 LYS C . 15060 1 470 . 1 1 62 62 LYS CA C 13 60.440 . . 1 . . . . 62 LYS CA . 15060 1 471 . 1 1 62 62 LYS CB C 13 32.430 . . 1 . . . . 62 LYS CB . 15060 1 472 . 1 1 62 62 LYS CD C 13 26.170 . . 1 . . . . 62 LYS CD . 15060 1 473 . 1 1 62 62 LYS CE C 13 41.770 . . 1 . . . . 62 LYS CE . 15060 1 474 . 1 1 62 62 LYS N N 15 118.525 . . 1 . . . . 62 LYS N . 15060 1 475 . 1 1 63 63 LYS H H 1 7.435 . . 1 . . . . 63 LYS HN . 15060 1 476 . 1 1 63 63 LYS HA H 1 4.130 . . 1 . . . . 63 LYS HA . 15060 1 477 . 1 1 63 63 LYS HB2 H 1 1.920 . . 2 . . . . 63 LYS HB1 . 15060 1 478 . 1 1 63 63 LYS HB3 H 1 1.870 . . 2 . . . . 63 LYS HB2 . 15060 1 479 . 1 1 63 63 LYS HG2 H 1 1.700 . . 1 . . . . 63 LYS HG1 . 15060 1 480 . 1 1 63 63 LYS HG3 H 1 1.700 . . 1 . . . . 63 LYS HG2 . 15060 1 481 . 1 1 63 63 LYS HD2 H 1 1.500 . . 2 . . . . 63 LYS HD1 . 15060 1 482 . 1 1 63 63 LYS HD3 H 1 1.420 . . 2 . . . . 63 LYS HD2 . 15060 1 483 . 1 1 63 63 LYS HE2 H 1 2.980 . . 1 . . . . 63 LYS HE1 . 15060 1 484 . 1 1 63 63 LYS HE3 H 1 2.980 . . 1 . . . . 63 LYS HE2 . 15060 1 485 . 1 1 63 63 LYS C C 13 178.220 . . 1 . . . . 63 LYS C . 15060 1 486 . 1 1 63 63 LYS CA C 13 58.338 . . 1 . . . . 63 LYS CA . 15060 1 487 . 1 1 63 63 LYS CB C 13 32.080 . . 1 . . . . 63 LYS CB . 15060 1 488 . 1 1 63 63 LYS CG C 13 28.800 . . 1 . . . . 63 LYS CG . 15060 1 489 . 1 1 63 63 LYS CD C 13 24.650 . . 1 . . . . 63 LYS CD . 15060 1 490 . 1 1 63 63 LYS CE C 13 41.980 . . 1 . . . . 63 LYS CE . 15060 1 491 . 1 1 63 63 LYS N N 15 118.030 . . 1 . . . . 63 LYS N . 15060 1 492 . 1 1 64 64 ASP H H 1 7.921 . . 1 . . . . 64 ASP HN . 15060 1 493 . 1 1 64 64 ASP HA H 1 4.520 . . 1 . . . . 64 ASP HA . 15060 1 494 . 1 1 64 64 ASP HB2 H 1 2.720 . . 2 . . . . 64 ASP HB1 . 15060 1 495 . 1 1 64 64 ASP HB3 H 1 2.480 . . 2 . . . . 64 ASP HB2 . 15060 1 496 . 1 1 64 64 ASP C C 13 176.829 . . 1 . . . . 64 ASP C . 15060 1 497 . 1 1 64 64 ASP CA C 13 56.085 . . 1 . . . . 64 ASP CA . 15060 1 498 . 1 1 64 64 ASP CB C 13 40.600 . . 1 . . . . 64 ASP CB . 15060 1 499 . 1 1 64 64 ASP N N 15 119.109 . . 1 . . . . 64 ASP N . 15060 1 500 . 1 1 65 65 HIS H H 1 7.564 . . 1 . . . . 65 HIS HN . 15060 1 501 . 1 1 65 65 HIS HA H 1 4.620 . . 1 . . . . 65 HIS HA . 15060 1 502 . 1 1 65 65 HIS HB2 H 1 3.240 . . 2 . . . . 65 HIS HB1 . 15060 1 503 . 1 1 65 65 HIS HB3 H 1 2.610 . . 2 . . . . 65 HIS HB2 . 15060 1 504 . 1 1 65 65 HIS HD2 H 1 6.993 . . 1 . . . . 65 HIS HD2 . 15060 1 505 . 1 1 65 65 HIS HE1 H 1 7.762 . . 1 . . . . 65 HIS HE1 . 15060 1 506 . 1 1 65 65 HIS C C 13 175.259 . . 1 . . . . 65 HIS C . 15060 1 507 . 1 1 65 65 HIS CA C 13 56.060 . . 1 . . . . 65 HIS CA . 15060 1 508 . 1 1 65 65 HIS CB C 13 28.810 . . 1 . . . . 65 HIS CB . 15060 1 509 . 1 1 65 65 HIS CD2 C 13 117.172 . . 1 . . . . 65 HIS CD2 . 15060 1 510 . 1 1 65 65 HIS N N 15 117.388 . . 1 . . . . 65 HIS N . 15060 1 511 . 1 1 66 66 ASP H H 1 7.723 . . 1 . . . . 66 ASP HN . 15060 1 512 . 1 1 66 66 ASP HA H 1 4.400 . . 1 . . . . 66 ASP HA . 15060 1 513 . 1 1 66 66 ASP HB2 H 1 2.680 . . 2 . . . . 66 ASP HB1 . 15060 1 514 . 1 1 66 66 ASP HB3 H 1 2.760 . . 2 . . . . 66 ASP HB2 . 15060 1 515 . 1 1 66 66 ASP C C 13 176.176 . . 1 . . . . 66 ASP C . 15060 1 516 . 1 1 66 66 ASP CA C 13 56.330 . . 1 . . . . 66 ASP CA . 15060 1 517 . 1 1 66 66 ASP CB C 13 40.550 . . 1 . . . . 66 ASP CB . 15060 1 518 . 1 1 66 66 ASP N N 15 120.613 . . 1 . . . . 66 ASP N . 15060 1 519 . 1 1 67 67 PHE H H 1 7.553 . . 1 . . . . 67 PHE HN . 15060 1 520 . 1 1 67 67 PHE HA H 1 4.660 . . 1 . . . . 67 PHE HA . 15060 1 521 . 1 1 67 67 PHE HB2 H 1 3.150 . . 2 . . . . 67 PHE HB1 . 15060 1 522 . 1 1 67 67 PHE HB3 H 1 3.260 . . 2 . . . . 67 PHE HB2 . 15060 1 523 . 1 1 67 67 PHE HD1 H 1 7.315 . . 3 . . . . 67 PHE HD1 . 15060 1 524 . 1 1 67 67 PHE HE1 H 1 7.503 . . 3 . . . . 67 PHE HE1 . 15060 1 525 . 1 1 67 67 PHE HZ H 1 7.420 . . 1 . . . . 67 PHE HZ . 15060 1 526 . 1 1 67 67 PHE C C 13 175.968 . . 1 . . . . 67 PHE C . 15060 1 527 . 1 1 67 67 PHE CA C 13 56.610 . . 1 . . . . 67 PHE CA . 15060 1 528 . 1 1 67 67 PHE CB C 13 38.680 . . 1 . . . . 67 PHE CB . 15060 1 529 . 1 1 67 67 PHE CZ C 13 132.150 . . 1 . . . . 67 PHE CZ . 15060 1 530 . 1 1 67 67 PHE N N 15 115.112 . . 1 . . . . 67 PHE N . 15060 1 531 . 1 1 68 68 LEU H H 1 7.545 . . 1 . . . . 68 LEU HN . 15060 1 532 . 1 1 68 68 LEU HA H 1 4.370 . . 1 . . . . 68 LEU HA . 15060 1 533 . 1 1 68 68 LEU HB2 H 1 1.740 . . 2 . . . . 68 LEU HB1 . 15060 1 534 . 1 1 68 68 LEU HB3 H 1 1.610 . . 2 . . . . 68 LEU HB2 . 15060 1 535 . 1 1 68 68 LEU HD11 H 1 1.057 . . 2 . . . . 68 LEU HD1 . 15060 1 536 . 1 1 68 68 LEU HD12 H 1 1.057 . . 2 . . . . 68 LEU HD1 . 15060 1 537 . 1 1 68 68 LEU HD13 H 1 1.057 . . 2 . . . . 68 LEU HD1 . 15060 1 538 . 1 1 68 68 LEU HD21 H 1 0.990 . . 2 . . . . 68 LEU HD2 . 15060 1 539 . 1 1 68 68 LEU HD22 H 1 0.990 . . 2 . . . . 68 LEU HD2 . 15060 1 540 . 1 1 68 68 LEU HD23 H 1 0.990 . . 2 . . . . 68 LEU HD2 . 15060 1 541 . 1 1 68 68 LEU C C 13 176.928 . . 1 . . . . 68 LEU C . 15060 1 542 . 1 1 68 68 LEU CA C 13 54.740 . . 1 . . . . 68 LEU CA . 15060 1 543 . 1 1 68 68 LEU CB C 13 43.450 . . 1 . . . . 68 LEU CB . 15060 1 544 . 1 1 68 68 LEU CD1 C 13 25.430 . . 1 . . . . 68 LEU CD1 . 15060 1 545 . 1 1 68 68 LEU CD2 C 13 23.750 . . 1 . . . . 68 LEU CD2 . 15060 1 546 . 1 1 68 68 LEU N N 15 123.253 . . 1 . . . . 68 LEU N . 15060 1 547 . 1 1 69 69 GLU H H 1 8.659 . . 1 . . . . 69 GLU HN . 15060 1 548 . 1 1 69 69 GLU HA H 1 4.330 . . 1 . . . . 69 GLU HA . 15060 1 549 . 1 1 69 69 GLU HB2 H 1 2.300 . . 2 . . . . 69 GLU HB1 . 15060 1 550 . 1 1 69 69 GLU HB3 H 1 2.130 . . 2 . . . . 69 GLU HB2 . 15060 1 551 . 1 1 69 69 GLU HG2 H 1 2.460 . . 1 . . . . 69 GLU HG1 . 15060 1 552 . 1 1 69 69 GLU HG3 H 1 2.460 . . 1 . . . . 69 GLU HG2 . 15060 1 553 . 1 1 69 69 GLU C C 13 178.014 . . 1 . . . . 69 GLU C . 15060 1 554 . 1 1 69 69 GLU CA C 13 56.645 . . 1 . . . . 69 GLU CA . 15060 1 555 . 1 1 69 69 GLU CB C 13 29.845 . . 1 . . . . 69 GLU CB . 15060 1 556 . 1 1 69 69 GLU CG C 13 36.720 . . 1 . . . . 69 GLU CG . 15060 1 557 . 1 1 69 69 GLU N N 15 121.494 . . 1 . . . . 69 GLU N . 15060 1 558 . 1 1 70 70 ARG H H 1 8.804 . . 1 . . . . 70 ARG HN . 15060 1 559 . 1 1 70 70 ARG HA H 1 4.040 . . 1 . . . . 70 ARG HA . 15060 1 560 . 1 1 70 70 ARG HB2 H 1 1.950 . . 1 . . . . 70 ARG HB1 . 15060 1 561 . 1 1 70 70 ARG HB3 H 1 1.950 . . 1 . . . . 70 ARG HB2 . 15060 1 562 . 1 1 70 70 ARG HG2 H 1 1.760 . . 1 . . . . 70 ARG HG1 . 15060 1 563 . 1 1 70 70 ARG HG3 H 1 1.760 . . 1 . . . . 70 ARG HG2 . 15060 1 564 . 1 1 70 70 ARG HD2 H 1 3.250 . . 1 . . . . 70 ARG HD1 . 15060 1 565 . 1 1 70 70 ARG HD3 H 1 3.250 . . 1 . . . . 70 ARG HD2 . 15060 1 566 . 1 1 70 70 ARG C C 13 177.774 . . 1 . . . . 70 ARG C . 15060 1 567 . 1 1 70 70 ARG CA C 13 59.539 . . 1 . . . . 70 ARG CA . 15060 1 568 . 1 1 70 70 ARG CB C 13 30.190 . . 1 . . . . 70 ARG CB . 15060 1 569 . 1 1 70 70 ARG CG C 13 26.730 . . 1 . . . . 70 ARG CG . 15060 1 570 . 1 1 70 70 ARG CD C 13 43.450 . . 1 . . . . 70 ARG CD . 15060 1 571 . 1 1 70 70 ARG N N 15 123.728 . . 1 . . . . 70 ARG N . 15060 1 572 . 1 1 71 71 ASP H H 1 8.691 . . 1 . . . . 71 ASP HN . 15060 1 573 . 1 1 71 71 ASP HA H 1 4.530 . . 1 . . . . 71 ASP HA . 15060 1 574 . 1 1 71 71 ASP HB2 H 1 2.720 . . 1 . . . . 71 ASP HB1 . 15060 1 575 . 1 1 71 71 ASP HB3 H 1 2.720 . . 1 . . . . 71 ASP HB2 . 15060 1 576 . 1 1 71 71 ASP C C 13 176.354 . . 1 . . . . 71 ASP C . 15060 1 577 . 1 1 71 71 ASP CA C 13 56.041 . . 1 . . . . 71 ASP CA . 15060 1 578 . 1 1 71 71 ASP CB C 13 40.090 . . 1 . . . . 71 ASP CB . 15060 1 579 . 1 1 71 71 ASP N N 15 115.520 . . 1 . . . . 71 ASP N . 15060 1 580 . 1 1 72 72 LEU H H 1 7.912 . . 1 . . . . 72 LEU HN . 15060 1 581 . 1 1 72 72 LEU HA H 1 4.770 . . 1 . . . . 72 LEU HA . 15060 1 582 . 1 1 72 72 LEU HB2 H 1 1.910 . . 2 . . . . 72 LEU HB1 . 15060 1 583 . 1 1 72 72 LEU HB3 H 1 1.940 . . 2 . . . . 72 LEU HB2 . 15060 1 584 . 1 1 72 72 LEU HD11 H 1 1.230 . . 2 . . . . 72 LEU HD1 . 15060 1 585 . 1 1 72 72 LEU HD12 H 1 1.230 . . 2 . . . . 72 LEU HD1 . 15060 1 586 . 1 1 72 72 LEU HD13 H 1 1.230 . . 2 . . . . 72 LEU HD1 . 15060 1 587 . 1 1 72 72 LEU HD21 H 1 0.990 . . 2 . . . . 72 LEU HD2 . 15060 1 588 . 1 1 72 72 LEU HD22 H 1 0.990 . . 2 . . . . 72 LEU HD2 . 15060 1 589 . 1 1 72 72 LEU HD23 H 1 0.990 . . 2 . . . . 72 LEU HD2 . 15060 1 590 . 1 1 72 72 LEU CA C 13 55.418 . . 1 . . . . 72 LEU CA . 15060 1 591 . 1 1 72 72 LEU CB C 13 43.630 . . 1 . . . . 72 LEU CB . 15060 1 592 . 1 1 72 72 LEU CD1 C 13 25.150 . . 1 . . . . 72 LEU CD1 . 15060 1 593 . 1 1 72 72 LEU CD2 C 13 24.030 . . 1 . . . . 72 LEU CD2 . 15060 1 594 . 1 1 72 72 LEU N N 15 118.675 . . 1 . . . . 72 LEU N . 15060 1 595 . 1 1 73 73 VAL H H 1 7.761 . . 1 . . . . 73 VAL HN . 15060 1 596 . 1 1 73 73 VAL HA H 1 3.550 . . 1 . . . . 73 VAL HA . 15060 1 597 . 1 1 73 73 VAL HB H 1 2.040 . . 1 . . . . 73 VAL HB . 15060 1 598 . 1 1 73 73 VAL HG11 H 1 0.920 . . 2 . . . . 73 VAL HG1 . 15060 1 599 . 1 1 73 73 VAL HG12 H 1 0.920 . . 2 . . . . 73 VAL HG1 . 15060 1 600 . 1 1 73 73 VAL HG13 H 1 0.920 . . 2 . . . . 73 VAL HG1 . 15060 1 601 . 1 1 73 73 VAL HG21 H 1 0.990 . . 2 . . . . 73 VAL HG2 . 15060 1 602 . 1 1 73 73 VAL HG22 H 1 0.990 . . 2 . . . . 73 VAL HG2 . 15060 1 603 . 1 1 73 73 VAL HG23 H 1 0.990 . . 2 . . . . 73 VAL HG2 . 15060 1 604 . 1 1 73 73 VAL C C 13 176.976 . . 1 . . . . 73 VAL C . 15060 1 605 . 1 1 73 73 VAL CA C 13 66.980 . . 1 . . . . 73 VAL CA . 15060 1 606 . 1 1 73 73 VAL CB C 13 32.020 . . 1 . . . . 73 VAL CB . 15060 1 607 . 1 1 73 73 VAL CG1 C 13 21.600 . . 1 . . . . 73 VAL CG1 . 15060 1 608 . 1 1 73 73 VAL CG2 C 13 23.660 . . 1 . . . . 73 VAL CG2 . 15060 1 609 . 1 1 73 73 VAL N N 15 119.359 . . 1 . . . . 73 VAL N . 15060 1 610 . 1 1 74 74 GLU H H 1 8.615 . . 1 . . . . 74 GLU HN . 15060 1 611 . 1 1 74 74 GLU HA H 1 4.190 . . 1 . . . . 74 GLU HA . 15060 1 612 . 1 1 74 74 GLU HB2 H 1 2.079 . . 1 . . . . 74 GLU HB1 . 15060 1 613 . 1 1 74 74 GLU HB3 H 1 2.079 . . 1 . . . . 74 GLU HB2 . 15060 1 614 . 1 1 74 74 GLU CA C 13 61.633 . . 1 . . . . 74 GLU CA . 15060 1 615 . 1 1 74 74 GLU CB C 13 26.038 . . 1 . . . . 74 GLU CB . 15060 1 616 . 1 1 74 74 GLU N N 15 119.749 . . 1 . . . . 74 GLU N . 15060 1 617 . 1 1 75 75 PRO HA H 1 4.280 . . 1 . . . . 75 PRO HA . 15060 1 618 . 1 1 75 75 PRO HB2 H 1 1.610 . . 1 . . . . 75 PRO HB1 . 15060 1 619 . 1 1 75 75 PRO HB3 H 1 1.610 . . 1 . . . . 75 PRO HB2 . 15060 1 620 . 1 1 75 75 PRO HD3 H 1 2.350 . . 1 . . . . 75 PRO HD2 . 15060 1 621 . 1 1 75 75 PRO C C 13 178.634 . . 1 . . . . 75 PRO C . 15060 1 622 . 1 1 75 75 PRO CA C 13 66.150 . . 1 . . . . 75 PRO CA . 15060 1 623 . 1 1 75 75 PRO CB C 13 30.360 . . 1 . . . . 75 PRO CB . 15060 1 624 . 1 1 75 75 PRO CG C 13 27.970 . . 1 . . . . 75 PRO CG . 15060 1 625 . 1 1 75 75 PRO CD C 13 49.760 . . 1 . . . . 75 PRO CD . 15060 1 626 . 1 1 76 76 LEU H H 1 7.241 . . 1 . . . . 76 LEU HN . 15060 1 627 . 1 1 76 76 LEU HA H 1 4.050 . . 1 . . . . 76 LEU HA . 15060 1 628 . 1 1 76 76 LEU HB2 H 1 1.310 . . 2 . . . . 76 LEU HB1 . 15060 1 629 . 1 1 76 76 LEU HB3 H 1 2.060 . . 2 . . . . 76 LEU HB2 . 15060 1 630 . 1 1 76 76 LEU HD11 H 1 0.010 . . 2 . . . . 76 LEU HD1 . 15060 1 631 . 1 1 76 76 LEU HD12 H 1 0.010 . . 2 . . . . 76 LEU HD1 . 15060 1 632 . 1 1 76 76 LEU HD13 H 1 0.010 . . 2 . . . . 76 LEU HD1 . 15060 1 633 . 1 1 76 76 LEU HD21 H 1 0.210 . . 2 . . . . 76 LEU HD2 . 15060 1 634 . 1 1 76 76 LEU HD22 H 1 0.210 . . 2 . . . . 76 LEU HD2 . 15060 1 635 . 1 1 76 76 LEU HD23 H 1 0.210 . . 2 . . . . 76 LEU HD2 . 15060 1 636 . 1 1 76 76 LEU C C 13 178.120 . . 1 . . . . 76 LEU C . 15060 1 637 . 1 1 76 76 LEU CA C 13 58.623 . . 1 . . . . 76 LEU CA . 15060 1 638 . 1 1 76 76 LEU CB C 13 41.900 . . 1 . . . . 76 LEU CB . 15060 1 639 . 1 1 76 76 LEU CD1 C 13 24.440 . . 1 . . . . 76 LEU CD1 . 15060 1 640 . 1 1 76 76 LEU CD2 C 13 22.540 . . 1 . . . . 76 LEU CD2 . 15060 1 641 . 1 1 76 76 LEU N N 15 119.170 . . 1 . . . . 76 LEU N . 15060 1 642 . 1 1 77 77 CYS H H 1 8.273 . . 1 . . . . 77 CYS HN . 15060 1 643 . 1 1 77 77 CYS HA H 1 4.300 . . 1 . . . . 77 CYS HA . 15060 1 644 . 1 1 77 77 CYS HB3 H 1 1.640 . . 2 . . . . 77 CYS HB2 . 15060 1 645 . 1 1 77 77 CYS CA C 13 65.007 . . 1 . . . . 77 CYS CA . 15060 1 646 . 1 1 77 77 CYS CB C 13 26.122 . . 1 . . . . 77 CYS CB . 15060 1 647 . 1 1 77 77 CYS N N 15 116.751 . . 1 . . . . 77 CYS N . 15060 1 648 . 1 1 78 78 ARG H H 1 8.060 . . 1 . . . . 78 ARG HN . 15060 1 649 . 1 1 78 78 ARG HA H 1 4.020 . . 1 . . . . 78 ARG HA . 15060 1 650 . 1 1 78 78 ARG HB2 H 1 1.450 . . 1 . . . . 78 ARG HB1 . 15060 1 651 . 1 1 78 78 ARG HB3 H 1 1.450 . . 1 . . . . 78 ARG HB2 . 15060 1 652 . 1 1 78 78 ARG HG2 H 1 1.690 . . 1 . . . . 78 ARG HG1 . 15060 1 653 . 1 1 78 78 ARG HG3 H 1 1.690 . . 1 . . . . 78 ARG HG2 . 15060 1 654 . 1 1 78 78 ARG HD2 H 1 3.040 . . 1 . . . . 78 ARG HD1 . 15060 1 655 . 1 1 78 78 ARG HD3 H 1 3.040 . . 1 . . . . 78 ARG HD2 . 15060 1 656 . 1 1 78 78 ARG C C 13 178.730 . . 1 . . . . 78 ARG C . 15060 1 657 . 1 1 78 78 ARG CA C 13 59.839 . . 1 . . . . 78 ARG CA . 15060 1 658 . 1 1 78 78 ARG CB C 13 29.900 . . 1 . . . . 78 ARG CB . 15060 1 659 . 1 1 78 78 ARG CG C 13 27.200 . . 1 . . . . 78 ARG CG . 15060 1 660 . 1 1 78 78 ARG CD C 13 43.540 . . 1 . . . . 78 ARG CD . 15060 1 661 . 1 1 78 78 ARG N N 15 120.251 . . 1 . . . . 78 ARG N . 15060 1 662 . 1 1 79 79 ARG H H 1 7.328 . . 1 . . . . 79 ARG HN . 15060 1 663 . 1 1 79 79 ARG HA H 1 4.300 . . 1 . . . . 79 ARG HA . 15060 1 664 . 1 1 79 79 ARG HB2 H 1 1.590 . . 1 . . . . 79 ARG HB1 . 15060 1 665 . 1 1 79 79 ARG HB3 H 1 1.590 . . 1 . . . . 79 ARG HB2 . 15060 1 666 . 1 1 79 79 ARG HD3 H 1 2.580 . . 2 . . . . 79 ARG HD2 . 15060 1 667 . 1 1 79 79 ARG CA C 13 60.025 . . 1 . . . . 79 ARG CA . 15060 1 668 . 1 1 79 79 ARG CB C 13 29.720 . . 1 . . . . 79 ARG CB . 15060 1 669 . 1 1 79 79 ARG CD C 13 42.710 . . 1 . . . . 79 ARG CD . 15060 1 670 . 1 1 79 79 ARG N N 15 120.135 . . 1 . . . . 79 ARG N . 15060 1 671 . 1 1 80 80 LEU H H 1 8.160 . . 1 . . . . 80 LEU HN . 15060 1 672 . 1 1 80 80 LEU HA H 1 4.080 . . 1 . . . . 80 LEU HA . 15060 1 673 . 1 1 80 80 LEU HB2 H 1 1.810 . . 2 . . . . 80 LEU HB1 . 15060 1 674 . 1 1 80 80 LEU HB3 H 1 1.210 . . 2 . . . . 80 LEU HB2 . 15060 1 675 . 1 1 80 80 LEU HD11 H 1 0.430 . . 2 . . . . 80 LEU HD1 . 15060 1 676 . 1 1 80 80 LEU HD12 H 1 0.430 . . 2 . . . . 80 LEU HD1 . 15060 1 677 . 1 1 80 80 LEU HD13 H 1 0.430 . . 2 . . . . 80 LEU HD1 . 15060 1 678 . 1 1 80 80 LEU HD21 H 1 0.740 . . 2 . . . . 80 LEU HD2 . 15060 1 679 . 1 1 80 80 LEU HD22 H 1 0.740 . . 2 . . . . 80 LEU HD2 . 15060 1 680 . 1 1 80 80 LEU HD23 H 1 0.740 . . 2 . . . . 80 LEU HD2 . 15060 1 681 . 1 1 80 80 LEU C C 13 178.465 . . 1 . . . . 80 LEU C . 15060 1 682 . 1 1 80 80 LEU CA C 13 58.042 . . 1 . . . . 80 LEU CA . 15060 1 683 . 1 1 80 80 LEU CB C 13 40.900 . . 1 . . . . 80 LEU CB . 15060 1 684 . 1 1 80 80 LEU CD1 C 13 26.210 . . 1 . . . . 80 LEU CD1 . 15060 1 685 . 1 1 80 80 LEU CD2 C 13 22.470 . . 1 . . . . 80 LEU CD2 . 15060 1 686 . 1 1 80 80 LEU N N 15 117.390 . . 1 . . . . 80 LEU N . 15060 1 687 . 1 1 81 81 ASN H H 1 8.517 . . 1 . . . . 81 ASN HN . 15060 1 688 . 1 1 81 81 ASN HA H 1 4.440 . . 1 . . . . 81 ASN HA . 15060 1 689 . 1 1 81 81 ASN HB2 H 1 2.870 . . 2 . . . . 81 ASN HB1 . 15060 1 690 . 1 1 81 81 ASN HB3 H 1 2.820 . . 2 . . . . 81 ASN HB2 . 15060 1 691 . 1 1 81 81 ASN HD21 H 1 7.566 . . 2 . . . . 81 ASN HD21 . 15060 1 692 . 1 1 81 81 ASN HD22 H 1 6.954 . . 2 . . . . 81 ASN HD22 . 15060 1 693 . 1 1 81 81 ASN C C 13 178.232 . . 1 . . . . 81 ASN C . 15060 1 694 . 1 1 81 81 ASN CA C 13 57.031 . . 1 . . . . 81 ASN CA . 15060 1 695 . 1 1 81 81 ASN CB C 13 38.549 . . 1 . . . . 81 ASN CB . 15060 1 696 . 1 1 81 81 ASN N N 15 118.647 . . 1 . . . . 81 ASN N . 15060 1 697 . 1 1 81 81 ASN ND2 N 15 114.200 . . 1 . . . . 81 ASN ND2 . 15060 1 698 . 1 1 82 82 THR H H 1 8.036 . . 1 . . . . 82 THR HN . 15060 1 699 . 1 1 82 82 THR HA H 1 3.870 . . 1 . . . . 82 THR HA . 15060 1 700 . 1 1 82 82 THR HB H 1 4.310 . . 1 . . . . 82 THR HB . 15060 1 701 . 1 1 82 82 THR HG21 H 1 1.080 . . 1 . . . . 82 THR HG2 . 15060 1 702 . 1 1 82 82 THR HG22 H 1 1.080 . . 1 . . . . 82 THR HG2 . 15060 1 703 . 1 1 82 82 THR HG23 H 1 1.080 . . 1 . . . . 82 THR HG2 . 15060 1 704 . 1 1 82 82 THR CA C 13 67.400 . . 1 . . . . 82 THR CA . 15060 1 705 . 1 1 82 82 THR CB C 13 68.681 . . 1 . . . . 82 THR CB . 15060 1 706 . 1 1 82 82 THR CG2 C 13 22.060 . . 1 . . . . 82 THR CG2 . 15060 1 707 . 1 1 82 82 THR N N 15 119.380 . . 1 . . . . 82 THR N . 15060 1 708 . 1 1 83 83 LEU H H 1 7.897 . . 1 . . . . 83 LEU HN . 15060 1 709 . 1 1 83 83 LEU HA H 1 3.670 . . 1 . . . . 83 LEU HA . 15060 1 710 . 1 1 83 83 LEU HB2 H 1 1.780 . . 2 . . . . 83 LEU HB1 . 15060 1 711 . 1 1 83 83 LEU HB3 H 1 0.710 . . 2 . . . . 83 LEU HB2 . 15060 1 712 . 1 1 83 83 LEU HG H 1 1.500 . . 1 . . . . 83 LEU HG . 15060 1 713 . 1 1 83 83 LEU HD11 H 1 -0.180 . . 2 . . . . 83 LEU HD1 . 15060 1 714 . 1 1 83 83 LEU HD12 H 1 -0.180 . . 2 . . . . 83 LEU HD1 . 15060 1 715 . 1 1 83 83 LEU HD13 H 1 -0.180 . . 2 . . . . 83 LEU HD1 . 15060 1 716 . 1 1 83 83 LEU HD21 H 1 0.300 . . 2 . . . . 83 LEU HD2 . 15060 1 717 . 1 1 83 83 LEU HD22 H 1 0.300 . . 2 . . . . 83 LEU HD2 . 15060 1 718 . 1 1 83 83 LEU HD23 H 1 0.300 . . 2 . . . . 83 LEU HD2 . 15060 1 719 . 1 1 83 83 LEU C C 13 178.898 . . 1 . . . . 83 LEU C . 15060 1 720 . 1 1 83 83 LEU CA C 13 57.760 . . 1 . . . . 83 LEU CA . 15060 1 721 . 1 1 83 83 LEU CB C 13 41.090 . . 1 . . . . 83 LEU CB . 15060 1 722 . 1 1 83 83 LEU CG C 13 25.430 . . 1 . . . . 83 LEU CG . 15060 1 723 . 1 1 83 83 LEU CD1 C 13 20.740 . . 1 . . . . 83 LEU CD1 . 15060 1 724 . 1 1 83 83 LEU CD2 C 13 26.075 . . 1 . . . . 83 LEU CD2 . 15060 1 725 . 1 1 83 83 LEU N N 15 121.629 . . 1 . . . . 83 LEU N . 15060 1 726 . 1 1 84 84 ASN H H 1 8.967 . . 1 . . . . 84 ASN HN . 15060 1 727 . 1 1 84 84 ASN HA H 1 4.740 . . 1 . . . . 84 ASN HA . 15060 1 728 . 1 1 84 84 ASN HB2 H 1 3.330 . . 2 . . . . 84 ASN HB1 . 15060 1 729 . 1 1 84 84 ASN HB3 H 1 3.020 . . 2 . . . . 84 ASN HB2 . 15060 1 730 . 1 1 84 84 ASN HD21 H 1 7.232 . . 2 . . . . 84 ASN HD21 . 15060 1 731 . 1 1 84 84 ASN HD22 H 1 7.739 . . 2 . . . . 84 ASN HD22 . 15060 1 732 . 1 1 84 84 ASN C C 13 178.751 . . 1 . . . . 84 ASN C . 15060 1 733 . 1 1 84 84 ASN CA C 13 56.505 . . 1 . . . . 84 ASN CA . 15060 1 734 . 1 1 84 84 ASN CB C 13 36.883 . . 1 . . . . 84 ASN CB . 15060 1 735 . 1 1 84 84 ASN N N 15 121.031 . . 1 . . . . 84 ASN N . 15060 1 736 . 1 1 84 84 ASN ND2 N 15 105.352 . . 1 . . . . 84 ASN ND2 . 15060 1 737 . 1 1 85 85 LYS H H 1 8.096 . . 1 . . . . 85 LYS HN . 15060 1 738 . 1 1 85 85 LYS HA H 1 4.120 . . 1 . . . . 85 LYS HA . 15060 1 739 . 1 1 85 85 LYS HB2 H 1 2.030 . . 2 . . . . 85 LYS HB1 . 15060 1 740 . 1 1 85 85 LYS HB3 H 1 2.110 . . 2 . . . . 85 LYS HB2 . 15060 1 741 . 1 1 85 85 LYS HG2 H 1 1.700 . . 1 . . . . 85 LYS HG1 . 15060 1 742 . 1 1 85 85 LYS HG3 H 1 1.700 . . 1 . . . . 85 LYS HG2 . 15060 1 743 . 1 1 85 85 LYS HD2 H 1 1.410 . . 1 . . . . 85 LYS HD1 . 15060 1 744 . 1 1 85 85 LYS HD3 H 1 1.410 . . 1 . . . . 85 LYS HD2 . 15060 1 745 . 1 1 85 85 LYS HE2 H 1 2.970 . . 1 . . . . 85 LYS HE1 . 15060 1 746 . 1 1 85 85 LYS HE3 H 1 2.970 . . 1 . . . . 85 LYS HE2 . 15060 1 747 . 1 1 85 85 LYS C C 13 179.722 . . 1 . . . . 85 LYS C . 15060 1 748 . 1 1 85 85 LYS CA C 13 59.816 . . 1 . . . . 85 LYS CA . 15060 1 749 . 1 1 85 85 LYS CB C 13 31.500 . . 1 . . . . 85 LYS CB . 15060 1 750 . 1 1 85 85 LYS CG C 13 29.160 . . 1 . . . . 85 LYS CG . 15060 1 751 . 1 1 85 85 LYS CD C 13 24.960 . . 1 . . . . 85 LYS CD . 15060 1 752 . 1 1 85 85 LYS CE C 13 41.770 . . 1 . . . . 85 LYS CE . 15060 1 753 . 1 1 85 85 LYS N N 15 122.287 . . 1 . . . . 85 LYS N . 15060 1 754 . 1 1 86 86 CYS H H 1 8.435 . . 1 . . . . 86 CYS HN . 15060 1 755 . 1 1 86 86 CYS HA H 1 4.130 . . 1 . . . . 86 CYS HA . 15060 1 756 . 1 1 86 86 CYS HB2 H 1 3.110 . . 1 . . . . 86 CYS HB1 . 15060 1 757 . 1 1 86 86 CYS HB3 H 1 3.110 . . 1 . . . . 86 CYS HB2 . 15060 1 758 . 1 1 86 86 CYS C C 13 177.189 . . 1 . . . . 86 CYS C . 15060 1 759 . 1 1 86 86 CYS CA C 13 63.919 . . 1 . . . . 86 CYS CA . 15060 1 760 . 1 1 86 86 CYS CB C 13 26.830 . . 1 . . . . 86 CYS CB . 15060 1 761 . 1 1 86 86 CYS N N 15 118.712 . . 1 . . . . 86 CYS N . 15060 1 762 . 1 1 87 87 ALA H H 1 8.744 . . 1 . . . . 87 ALA HN . 15060 1 763 . 1 1 87 87 ALA HA H 1 4.310 . . 1 . . . . 87 ALA HA . 15060 1 764 . 1 1 87 87 ALA HB1 H 1 1.550 . . 1 . . . . 87 ALA HB . 15060 1 765 . 1 1 87 87 ALA HB2 H 1 1.550 . . 1 . . . . 87 ALA HB . 15060 1 766 . 1 1 87 87 ALA HB3 H 1 1.550 . . 1 . . . . 87 ALA HB . 15060 1 767 . 1 1 87 87 ALA C C 13 179.569 . . 1 . . . . 87 ALA C . 15060 1 768 . 1 1 87 87 ALA CA C 13 54.539 . . 1 . . . . 87 ALA CA . 15060 1 769 . 1 1 87 87 ALA CB C 13 19.350 . . 1 . . . . 87 ALA CB . 15060 1 770 . 1 1 87 87 ALA N N 15 121.138 . . 1 . . . . 87 ALA N . 15060 1 771 . 1 1 88 88 SER H H 1 8.087 . . 1 . . . . 88 SER HN . 15060 1 772 . 1 1 88 88 SER HA H 1 4.330 . . 1 . . . . 88 SER HA . 15060 1 773 . 1 1 88 88 SER HB2 H 1 4.010 . . 1 . . . . 88 SER HB1 . 15060 1 774 . 1 1 88 88 SER HB3 H 1 4.010 . . 1 . . . . 88 SER HB2 . 15060 1 775 . 1 1 88 88 SER C C 13 175.354 . . 1 . . . . 88 SER C . 15060 1 776 . 1 1 88 88 SER CA C 13 60.860 . . 1 . . . . 88 SER CA . 15060 1 777 . 1 1 88 88 SER CB C 13 63.560 . . 1 . . . . 88 SER CB . 15060 1 778 . 1 1 88 88 SER N N 15 113.499 . . 1 . . . . 88 SER N . 15060 1 779 . 1 1 89 89 MET H H 1 7.782 . . 1 . . . . 89 MET HN . 15060 1 780 . 1 1 89 89 MET HA H 1 4.310 . . 1 . . . . 89 MET HA . 15060 1 781 . 1 1 89 89 MET HB2 H 1 2.570 . . 2 . . . . 89 MET HB1 . 15060 1 782 . 1 1 89 89 MET HB3 H 1 2.730 . . 2 . . . . 89 MET HB2 . 15060 1 783 . 1 1 89 89 MET HG2 H 1 1.640 . . 2 . . . . 89 MET HG1 . 15060 1 784 . 1 1 89 89 MET HG3 H 1 1.560 . . 2 . . . . 89 MET HG2 . 15060 1 785 . 1 1 89 89 MET HE1 H 1 2.070 . . 1 . . . . 89 MET HE . 15060 1 786 . 1 1 89 89 MET HE2 H 1 2.070 . . 1 . . . . 89 MET HE . 15060 1 787 . 1 1 89 89 MET HE3 H 1 2.070 . . 1 . . . . 89 MET HE . 15060 1 788 . 1 1 89 89 MET CA C 13 56.942 . . 1 . . . . 89 MET CA . 15060 1 789 . 1 1 89 89 MET CB C 13 32.020 . . 1 . . . . 89 MET CB . 15060 1 790 . 1 1 89 89 MET CE C 13 17.020 . . 1 . . . . 89 MET CE . 15060 1 791 . 1 1 89 89 MET N N 15 120.541 . . 1 . . . . 89 MET N . 15060 1 792 . 1 1 90 90 ARG H H 1 7.793 . . 1 . . . . 90 ARG HN . 15060 1 793 . 1 1 90 90 ARG HA H 1 4.250 . . 1 . . . . 90 ARG HA . 15060 1 794 . 1 1 90 90 ARG HB2 H 1 1.880 . . 1 . . . . 90 ARG HB1 . 15060 1 795 . 1 1 90 90 ARG HB3 H 1 1.880 . . 1 . . . . 90 ARG HB2 . 15060 1 796 . 1 1 90 90 ARG HG2 H 1 1.670 . . 1 . . . . 90 ARG HG1 . 15060 1 797 . 1 1 90 90 ARG HG3 H 1 1.670 . . 1 . . . . 90 ARG HG2 . 15060 1 798 . 1 1 90 90 ARG HD2 H 1 3.180 . . 1 . . . . 90 ARG HD1 . 15060 1 799 . 1 1 90 90 ARG HD3 H 1 3.180 . . 1 . . . . 90 ARG HD2 . 15060 1 800 . 1 1 90 90 ARG C C 13 176.503 . . 1 . . . . 90 ARG C . 15060 1 801 . 1 1 90 90 ARG CA C 13 56.710 . . 1 . . . . 90 ARG CA . 15060 1 802 . 1 1 90 90 ARG CB C 13 30.250 . . 1 . . . . 90 ARG CB . 15060 1 803 . 1 1 90 90 ARG CG C 13 27.030 . . 1 . . . . 90 ARG CG . 15060 1 804 . 1 1 90 90 ARG CD C 13 43.540 . . 1 . . . . 90 ARG CD . 15060 1 805 . 1 1 90 90 ARG N N 15 118.950 . . 1 . . . . 90 ARG N . 15060 1 806 . 1 1 91 91 LEU H H 1 7.936 . . 1 . . . . 91 LEU HN . 15060 1 807 . 1 1 91 91 LEU HA H 1 4.350 . . 1 . . . . 91 LEU HA . 15060 1 808 . 1 1 91 91 LEU HB2 H 1 1.700 . . 2 . . . . 91 LEU HB1 . 15060 1 809 . 1 1 91 91 LEU HB3 H 1 1.600 . . 2 . . . . 91 LEU HB2 . 15060 1 810 . 1 1 91 91 LEU HG H 1 1.340 . . 1 . . . . 91 LEU HG . 15060 1 811 . 1 1 91 91 LEU HD11 H 1 0.890 . . 2 . . . . 91 LEU HD1 . 15060 1 812 . 1 1 91 91 LEU HD12 H 1 0.890 . . 2 . . . . 91 LEU HD1 . 15060 1 813 . 1 1 91 91 LEU HD13 H 1 0.890 . . 2 . . . . 91 LEU HD1 . 15060 1 814 . 1 1 91 91 LEU HD21 H 1 0.960 . . 2 . . . . 91 LEU HD2 . 15060 1 815 . 1 1 91 91 LEU HD22 H 1 0.960 . . 2 . . . . 91 LEU HD2 . 15060 1 816 . 1 1 91 91 LEU HD23 H 1 0.960 . . 2 . . . . 91 LEU HD2 . 15060 1 817 . 1 1 91 91 LEU CA C 13 55.314 . . 1 . . . . 91 LEU CA . 15060 1 818 . 1 1 91 91 LEU CB C 13 42.427 . . 1 . . . . 91 LEU CB . 15060 1 819 . 1 1 91 91 LEU CG C 13 26.930 . . 1 . . . . 91 LEU CG . 15060 1 820 . 1 1 91 91 LEU CD1 C 13 23.320 . . 1 . . . . 91 LEU CD1 . 15060 1 821 . 1 1 91 91 LEU CD2 C 13 25.531 . . 1 . . . . 91 LEU CD2 . 15060 1 822 . 1 1 91 91 LEU N N 15 121.017 . . 1 . . . . 91 LEU N . 15060 1 823 . 1 1 92 92 ASP H H 1 8.269 . . 1 . . . . 92 ASP HN . 15060 1 824 . 1 1 92 92 ASP HA H 1 4.620 . . 1 . . . . 92 ASP HA . 15060 1 825 . 1 1 92 92 ASP HB3 H 1 2.730 . . 2 . . . . 92 ASP HB2 . 15060 1 826 . 1 1 92 92 ASP C C 13 176.812 . . 1 . . . . 92 ASP C . 15060 1 827 . 1 1 92 92 ASP CA C 13 54.606 . . 1 . . . . 92 ASP CA . 15060 1 828 . 1 1 92 92 ASP CB C 13 41.257 . . 1 . . . . 92 ASP CB . 15060 1 829 . 1 1 92 92 ASP N N 15 120.647 . . 1 . . . . 92 ASP N . 15060 1 830 . 1 1 93 93 VAL H H 1 8.033 . . 1 . . . . 93 VAL HN . 15060 1 831 . 1 1 93 93 VAL HA H 1 4.050 . . 1 . . . . 93 VAL HA . 15060 1 832 . 1 1 93 93 VAL HB H 1 2.130 . . 1 . . . . 93 VAL HB . 15060 1 833 . 1 1 93 93 VAL HG11 H 1 0.910 . . 2 . . . . 93 VAL HG1 . 15060 1 834 . 1 1 93 93 VAL HG12 H 1 0.910 . . 2 . . . . 93 VAL HG1 . 15060 1 835 . 1 1 93 93 VAL HG13 H 1 0.910 . . 2 . . . . 93 VAL HG1 . 15060 1 836 . 1 1 93 93 VAL HG21 H 1 0.970 . . 2 . . . . 93 VAL HG2 . 15060 1 837 . 1 1 93 93 VAL HG22 H 1 0.970 . . 2 . . . . 93 VAL HG2 . 15060 1 838 . 1 1 93 93 VAL HG23 H 1 0.970 . . 2 . . . . 93 VAL HG2 . 15060 1 839 . 1 1 93 93 VAL C C 13 176.146 . . 1 . . . . 93 VAL C . 15060 1 840 . 1 1 93 93 VAL CA C 13 63.140 . . 1 . . . . 93 VAL CA . 15060 1 841 . 1 1 93 93 VAL CB C 13 32.010 . . 1 . . . . 93 VAL CB . 15060 1 842 . 1 1 93 93 VAL CG1 C 13 20.700 . . 1 . . . . 93 VAL CG1 . 15060 1 843 . 1 1 93 93 VAL CG2 C 13 21.180 . . 1 . . . . 93 VAL CG2 . 15060 1 844 . 1 1 93 93 VAL N N 15 119.731 . . 1 . . . . 93 VAL N . 15060 1 845 . 1 1 94 94 ASN H H 1 8.376 . . 1 . . . . 94 ASN HN . 15060 1 846 . 1 1 94 94 ASN HA H 1 4.690 . . 1 . . . . 94 ASN HA . 15060 1 847 . 1 1 94 94 ASN HB2 H 1 2.740 . . 1 . . . . 94 ASN HB1 . 15060 1 848 . 1 1 94 94 ASN HB3 H 1 2.740 . . 1 . . . . 94 ASN HB2 . 15060 1 849 . 1 1 94 94 ASN HD21 H 1 7.684 . . 2 . . . . 94 ASN HD21 . 15060 1 850 . 1 1 94 94 ASN HD22 H 1 6.944 . . 2 . . . . 94 ASN HD22 . 15060 1 851 . 1 1 94 94 ASN C C 13 175.222 . . 1 . . . . 94 ASN C . 15060 1 852 . 1 1 94 94 ASN CA C 13 53.605 . . 1 . . . . 94 ASN CA . 15060 1 853 . 1 1 94 94 ASN CB C 13 38.720 . . 1 . . . . 94 ASN CB . 15060 1 854 . 1 1 94 94 ASN N N 15 120.080 . . 1 . . . . 94 ASN N . 15060 1 855 . 1 1 94 94 ASN ND2 N 15 113.553 . . 1 . . . . 94 ASN ND2 . 15060 1 856 . 1 1 95 95 PHE H H 1 8.048 . . 1 . . . . 95 PHE HN . 15060 1 857 . 1 1 95 95 PHE HA H 1 4.502 . . 1 . . . . 95 PHE HA . 15060 1 858 . 1 1 95 95 PHE HB2 H 1 3.130 . . 1 . . . . 95 PHE HB1 . 15060 1 859 . 1 1 95 95 PHE HB3 H 1 3.130 . . 1 . . . . 95 PHE HB2 . 15060 1 860 . 1 1 95 95 PHE HD1 H 1 7.261 . . 3 . . . . 95 PHE HD1 . 15060 1 861 . 1 1 95 95 PHE HE1 H 1 7.359 . . 3 . . . . 95 PHE HE1 . 15060 1 862 . 1 1 95 95 PHE HZ H 1 7.309 . . 1 . . . . 95 PHE HZ . 15060 1 863 . 1 1 95 95 PHE C C 13 175.568 . . 1 . . . . 95 PHE C . 15060 1 864 . 1 1 95 95 PHE CA C 13 58.377 . . 1 . . . . 95 PHE CA . 15060 1 865 . 1 1 95 95 PHE CB C 13 39.288 . . 1 . . . . 95 PHE CB . 15060 1 866 . 1 1 95 95 PHE N N 15 120.616 . . 1 . . . . 95 PHE N . 15060 1 867 . 1 1 96 96 GLN H H 1 8.160 . . 1 . . . . 96 GLN HN . 15060 1 868 . 1 1 96 96 GLN HA H 1 4.240 . . 1 . . . . 96 GLN HA . 15060 1 869 . 1 1 96 96 GLN HB2 H 1 2.018 . . 2 . . . . 96 GLN HB1 . 15060 1 870 . 1 1 96 96 GLN HB3 H 1 1.912 . . 2 . . . . 96 GLN HB2 . 15060 1 871 . 1 1 96 96 GLN HG2 H 1 2.280 . . 1 . . . . 96 GLN HG1 . 15060 1 872 . 1 1 96 96 GLN HG3 H 1 2.280 . . 1 . . . . 96 GLN HG2 . 15060 1 873 . 1 1 96 96 GLN HE21 H 1 7.519 . . 2 . . . . 96 GLN HE21 . 15060 1 874 . 1 1 96 96 GLN HE22 H 1 6.884 . . 2 . . . . 96 GLN HE22 . 15060 1 875 . 1 1 96 96 GLN C C 13 175.470 . . 1 . . . . 96 GLN C . 15060 1 876 . 1 1 96 96 GLN CA C 13 55.770 . . 1 . . . . 96 GLN CA . 15060 1 877 . 1 1 96 96 GLN CB C 13 29.291 . . 1 . . . . 96 GLN CB . 15060 1 878 . 1 1 96 96 GLN CG C 13 35.570 . . 1 . . . . 96 GLN CG . 15060 1 879 . 1 1 96 96 GLN N N 15 121.289 . . 1 . . . . 96 GLN N . 15060 1 880 . 1 1 96 96 GLN NE2 N 15 112.512 . . 1 . . . . 96 GLN NE2 . 15060 1 881 . 1 1 97 97 ARG H H 1 8.204 . . 1 . . . . 97 ARG HN . 15060 1 882 . 1 1 97 97 ARG HA H 1 4.260 . . 1 . . . . 97 ARG HA . 15060 1 883 . 1 1 97 97 ARG HB2 H 1 1.670 . . 2 . . . . 97 ARG HB1 . 15060 1 884 . 1 1 97 97 ARG HB3 H 1 1.810 . . 2 . . . . 97 ARG HB2 . 15060 1 885 . 1 1 97 97 ARG HG2 H 1 1.650 . . 1 . . . . 97 ARG HG1 . 15060 1 886 . 1 1 97 97 ARG HG3 H 1 1.650 . . 1 . . . . 97 ARG HG2 . 15060 1 887 . 1 1 97 97 ARG HD2 H 1 3.200 . . 1 . . . . 97 ARG HD1 . 15060 1 888 . 1 1 97 97 ARG HD3 H 1 3.200 . . 1 . . . . 97 ARG HD2 . 15060 1 889 . 1 1 97 97 ARG C C 13 176.202 . . 1 . . . . 97 ARG C . 15060 1 890 . 1 1 97 97 ARG CA C 13 56.090 . . 1 . . . . 97 ARG CA . 15060 1 891 . 1 1 97 97 ARG CB C 13 30.770 . . 1 . . . . 97 ARG CB . 15060 1 892 . 1 1 97 97 ARG CD C 13 43.220 . . 1 . . . . 97 ARG CD . 15060 1 893 . 1 1 97 97 ARG N N 15 122.338 . . 1 . . . . 97 ARG N . 15060 1 894 . 1 1 98 98 LYS H H 1 8.441 . . 1 . . . . 98 LYS HN . 15060 1 895 . 1 1 98 98 LYS HA H 1 4.300 . . 1 . . . . 98 LYS HA . 15060 1 896 . 1 1 98 98 LYS HB2 H 1 1.750 . . 2 . . . . 98 LYS HB1 . 15060 1 897 . 1 1 98 98 LYS HB3 H 1 1.810 . . 2 . . . . 98 LYS HB2 . 15060 1 898 . 1 1 98 98 LYS HG2 H 1 1.680 . . 1 . . . . 98 LYS HG1 . 15060 1 899 . 1 1 98 98 LYS HG3 H 1 1.680 . . 1 . . . . 98 LYS HG2 . 15060 1 900 . 1 1 98 98 LYS HD2 H 1 1.420 . . 1 . . . . 98 LYS HD1 . 15060 1 901 . 1 1 98 98 LYS HD3 H 1 1.420 . . 1 . . . . 98 LYS HD2 . 15060 1 902 . 1 1 98 98 LYS HE2 H 1 2.980 . . 1 . . . . 98 LYS HE1 . 15060 1 903 . 1 1 98 98 LYS HE3 H 1 2.980 . . 1 . . . . 98 LYS HE2 . 15060 1 904 . 1 1 98 98 LYS C C 13 176.486 . . 1 . . . . 98 LYS C . 15060 1 905 . 1 1 98 98 LYS CA C 13 55.980 . . 1 . . . . 98 LYS CA . 15060 1 906 . 1 1 98 98 LYS CB C 13 33.050 . . 1 . . . . 98 LYS CB . 15060 1 907 . 1 1 98 98 LYS CG C 13 29.000 . . 1 . . . . 98 LYS CG . 15060 1 908 . 1 1 98 98 LYS CD C 13 24.760 . . 1 . . . . 98 LYS CD . 15060 1 909 . 1 1 98 98 LYS CE C 13 42.080 . . 1 . . . . 98 LYS CE . 15060 1 910 . 1 1 98 98 LYS N N 15 123.396 . . 1 . . . . 98 LYS N . 15060 1 911 . 1 1 99 99 LYS H H 1 8.522 . . 1 . . . . 99 LYS HN . 15060 1 912 . 1 1 99 99 LYS CA C 13 56.547 . . 1 . . . . 99 LYS CA . 15060 1 913 . 1 1 99 99 LYS CB C 13 33.003 . . 1 . . . . 99 LYS CB . 15060 1 914 . 1 1 99 99 LYS N N 15 123.539 . . 1 . . . . 99 LYS N . 15060 1 915 . 1 1 100 100 GLY HA2 H 1 3.960 . . 2 . . . . 100 GLY HA1 . 15060 1 916 . 1 1 100 100 GLY HA3 H 1 4.000 . . 2 . . . . 100 GLY HA2 . 15060 1 917 . 1 1 100 100 GLY C C 13 173.922 . . 1 . . . . 100 GLY C . 15060 1 918 . 1 1 100 100 GLY CA C 13 45.190 . . 1 . . . . 100 GLY CA . 15060 1 919 . 1 1 101 101 ASP H H 1 8.269 . . 1 . . . . 101 ASP HN . 15060 1 920 . 1 1 101 101 ASP HA H 1 4.630 . . 1 . . . . 101 ASP HA . 15060 1 921 . 1 1 101 101 ASP HB2 H 1 2.660 . . 2 . . . . 101 ASP HB1 . 15060 1 922 . 1 1 101 101 ASP HB3 H 1 2.740 . . 2 . . . . 101 ASP HB2 . 15060 1 923 . 1 1 101 101 ASP CA C 13 54.487 . . 1 . . . . 101 ASP CA . 15060 1 924 . 1 1 101 101 ASP CB C 13 41.259 . . 1 . . . . 101 ASP CB . 15060 1 925 . 1 1 101 101 ASP N N 15 120.647 . . 1 . . . . 101 ASP N . 15060 1 926 . 1 1 102 102 ASP H H 1 8.376 . . 1 . . . . 102 ASP HN . 15060 1 927 . 1 1 102 102 ASP HA H 1 4.609 . . 1 . . . . 102 ASP HA . 15060 1 928 . 1 1 102 102 ASP HB2 H 1 2.666 . . 2 . . . . 102 ASP HB1 . 15060 1 929 . 1 1 102 102 ASP HB3 H 1 2.670 . . 2 . . . . 102 ASP HB2 . 15060 1 930 . 1 1 102 102 ASP C C 13 176.282 . . 1 . . . . 102 ASP C . 15060 1 931 . 1 1 102 102 ASP CA C 13 54.572 . . 1 . . . . 102 ASP CA . 15060 1 932 . 1 1 102 102 ASP CB C 13 41.040 . . 1 . . . . 102 ASP CB . 15060 1 933 . 1 1 102 102 ASP N N 15 120.080 . . 1 . . . . 102 ASP N . 15060 1 934 . 1 1 103 103 SER H H 1 8.239 . . 1 . . . . 103 SER HN . 15060 1 935 . 1 1 103 103 SER HA H 1 4.420 . . 1 . . . . 103 SER HA . 15060 1 936 . 1 1 103 103 SER HB2 H 1 3.870 . . 1 . . . . 103 SER HB1 . 15060 1 937 . 1 1 103 103 SER HB3 H 1 3.870 . . 1 . . . . 103 SER HB2 . 15060 1 938 . 1 1 103 103 SER C C 13 174.385 . . 1 . . . . 103 SER C . 15060 1 939 . 1 1 103 103 SER CA C 13 58.470 . . 1 . . . . 103 SER CA . 15060 1 940 . 1 1 103 103 SER CB C 13 64.280 . . 1 . . . . 103 SER CB . 15060 1 941 . 1 1 103 103 SER N N 15 115.602 . . 1 . . . . 103 SER N . 15060 1 942 . 1 1 104 104 ASP H H 1 8.409 . . 1 . . . . 104 ASP HN . 15060 1 943 . 1 1 104 104 ASP HA H 1 4.640 . . 1 . . . . 104 ASP HA . 15060 1 944 . 1 1 104 104 ASP HB2 H 1 2.664 . . 2 . . . . 104 ASP HB1 . 15060 1 945 . 1 1 104 104 ASP HB3 H 1 2.740 . . 2 . . . . 104 ASP HB2 . 15060 1 946 . 1 1 104 104 ASP C C 13 176.192 . . 1 . . . . 104 ASP C . 15060 1 947 . 1 1 104 104 ASP CA C 13 54.567 . . 1 . . . . 104 ASP CA . 15060 1 948 . 1 1 104 104 ASP CB C 13 41.250 . . 1 . . . . 104 ASP CB . 15060 1 949 . 1 1 104 104 ASP N N 15 122.658 . . 1 . . . . 104 ASP N . 15060 1 950 . 1 1 105 105 GLU H H 1 8.269 . . 1 . . . . 105 GLU HN . 15060 1 951 . 1 1 105 105 GLU HA H 1 4.271 . . 1 . . . . 105 GLU HA . 15060 1 952 . 1 1 105 105 GLU HB2 H 1 2.080 . . 2 . . . . 105 GLU HB1 . 15060 1 953 . 1 1 105 105 GLU HB3 H 1 1.900 . . 2 . . . . 105 GLU HB2 . 15060 1 954 . 1 1 105 105 GLU HG2 H 1 2.260 . . 1 . . . . 105 GLU HG1 . 15060 1 955 . 1 1 105 105 GLU HG3 H 1 2.260 . . 1 . . . . 105 GLU HG2 . 15060 1 956 . 1 1 105 105 GLU C C 13 176.313 . . 1 . . . . 105 GLU C . 15060 1 957 . 1 1 105 105 GLU CA C 13 56.521 . . 1 . . . . 105 GLU CA . 15060 1 958 . 1 1 105 105 GLU CB C 13 30.363 . . 1 . . . . 105 GLU CB . 15060 1 959 . 1 1 105 105 GLU N N 15 120.647 . . 1 . . . . 105 GLU N . 15060 1 960 . 1 1 106 106 GLU H H 1 8.391 . . 1 . . . . 106 GLU HN . 15060 1 961 . 1 1 106 106 GLU HA H 1 4.300 . . 1 . . . . 106 GLU HA . 15060 1 962 . 1 1 106 106 GLU HB2 H 1 2.070 . . 2 . . . . 106 GLU HB1 . 15060 1 963 . 1 1 106 106 GLU HB3 H 1 1.910 . . 2 . . . . 106 GLU HB2 . 15060 1 964 . 1 1 106 106 GLU HG2 H 1 2.260 . . 1 . . . . 106 GLU HG1 . 15060 1 965 . 1 1 106 106 GLU HG3 H 1 2.260 . . 1 . . . . 106 GLU HG2 . 15060 1 966 . 1 1 106 106 GLU C C 13 175.388 . . 1 . . . . 106 GLU C . 15060 1 967 . 1 1 106 106 GLU CA C 13 56.400 . . 1 . . . . 106 GLU CA . 15060 1 968 . 1 1 106 106 GLU CB C 13 30.640 . . 1 . . . . 106 GLU CB . 15060 1 969 . 1 1 106 106 GLU CG C 13 36.160 . . 1 . . . . 106 GLU CG . 15060 1 970 . 1 1 106 106 GLU N N 15 122.119 . . 1 . . . . 106 GLU N . 15060 1 971 . 1 1 107 107 ASP H H 1 8.048 . . 1 . . . . 107 ASP HN . 15060 1 972 . 1 1 107 107 ASP CA C 13 56.208 . . 1 . . . . 107 ASP CA . 15060 1 973 . 1 1 107 107 ASP CB C 13 42.204 . . 1 . . . . 107 ASP CB . 15060 1 974 . 1 1 107 107 ASP N N 15 127.146 . . 1 . . . . 107 ASP N . 15060 1 stop_ save_