data_7184 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7184 _Entry.Title ; NMR solution structure of CSPsg4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-21 _Entry.Accession_date 2006-07-14 _Entry.Last_release_date 2006-07-14 _Entry.Original_release_date 2006-07-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 S. Tomaselli . . . . 7184 2 O. Crescenzi . . . . 7184 3 D. Sanfelice . . . . 7184 4 E. Ab . . . . 7184 5 T. Tancredi . . . . 7184 6 D. Picone . . . . 7184 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7184 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 438 7184 '15N chemical shifts' 118 7184 '1H chemical shifts' 700 7184 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2006-10-11 . original author 'original release' 7184 1 . . 2006-10-17 . update author 'chemical shift data updated' 7184 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2GVS 'BMRB Entry Tracking System' 7184 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7184 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16939212 _Citation.Full_citation . _Citation.Title ; Solution structure of a chemosensory protein from the desert locust Schistocerca gregaria ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 35 _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 10606 _Citation.Page_last 10613 _Citation.Year 2006 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Tomaselli . . . . 7184 1 2 O. Crescenzi . . . . 7184 1 3 D. Sanfelice . . . . 7184 1 4 E. Ab . . . . 7184 1 5 R. Wechselberger . . . . 7184 1 6 S. Angeli . . . . 7184 1 7 A. Scaloni . . . . 7184 1 8 R. Boelens . . . . 7184 1 9 T. Tancredi . . . . 7184 1 10 P. Pelosi . . . . 7184 1 11 D. Picone . . . . 7184 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID alpha-coil 7184 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 7184 _Assembly.ID 1 _Assembly.Name 'chemosensory protein CSP-sg4' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 7184 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'chemosensory protein CSP-sg4' 1 $CSP-sg4 . . . native . . . . . 7184 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 38 38 SG . . . . . . . . . . . . 7184 1 2 disulfide single . 1 . 1 CYS 57 57 SG . 1 . 1 CYS 60 60 SG . . . . . . . . . . . . 7184 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 2GVS . . . . . . 7184 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'chemosensory protein CSP-sg4' abbreviation 7184 1 'chemosensory protein CSP-sg4' system 7184 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CSP-sg4 _Entity.Sf_category entity _Entity.Sf_framecode CSP-sg4 _Entity.Entry_ID 7184 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'chemosensory protein CSP-sg4' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EEKYTTKYDNVNLDEILAND RLLNKYVQCLLEDDESNCTA DGKELKSVIPDALSNECAKC NEKQKEGTKKVLKHLINHKP DVWAQLKAKYDPDGTYSKKY EDREKELHQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'chemosensory protein CSP-sg4' abbreviation 7184 1 'chemosensory protein CSP-sg4' common 7184 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLU . 7184 1 2 2 GLU . 7184 1 3 3 LYS . 7184 1 4 4 TYR . 7184 1 5 5 THR . 7184 1 6 6 THR . 7184 1 7 7 LYS . 7184 1 8 8 TYR . 7184 1 9 9 ASP . 7184 1 10 10 ASN . 7184 1 11 11 VAL . 7184 1 12 12 ASN . 7184 1 13 13 LEU . 7184 1 14 14 ASP . 7184 1 15 15 GLU . 7184 1 16 16 ILE . 7184 1 17 17 LEU . 7184 1 18 18 ALA . 7184 1 19 19 ASN . 7184 1 20 20 ASP . 7184 1 21 21 ARG . 7184 1 22 22 LEU . 7184 1 23 23 LEU . 7184 1 24 24 ASN . 7184 1 25 25 LYS . 7184 1 26 26 TYR . 7184 1 27 27 VAL . 7184 1 28 28 GLN . 7184 1 29 29 CYS . 7184 1 30 30 LEU . 7184 1 31 31 LEU . 7184 1 32 32 GLU . 7184 1 33 33 ASP . 7184 1 34 34 ASP . 7184 1 35 35 GLU . 7184 1 36 36 SER . 7184 1 37 37 ASN . 7184 1 38 38 CYS . 7184 1 39 39 THR . 7184 1 40 40 ALA . 7184 1 41 41 ASP . 7184 1 42 42 GLY . 7184 1 43 43 LYS . 7184 1 44 44 GLU . 7184 1 45 45 LEU . 7184 1 46 46 LYS . 7184 1 47 47 SER . 7184 1 48 48 VAL . 7184 1 49 49 ILE . 7184 1 50 50 PRO . 7184 1 51 51 ASP . 7184 1 52 52 ALA . 7184 1 53 53 LEU . 7184 1 54 54 SER . 7184 1 55 55 ASN . 7184 1 56 56 GLU . 7184 1 57 57 CYS . 7184 1 58 58 ALA . 7184 1 59 59 LYS . 7184 1 60 60 CYS . 7184 1 61 61 ASN . 7184 1 62 62 GLU . 7184 1 63 63 LYS . 7184 1 64 64 GLN . 7184 1 65 65 LYS . 7184 1 66 66 GLU . 7184 1 67 67 GLY . 7184 1 68 68 THR . 7184 1 69 69 LYS . 7184 1 70 70 LYS . 7184 1 71 71 VAL . 7184 1 72 72 LEU . 7184 1 73 73 LYS . 7184 1 74 74 HIS . 7184 1 75 75 LEU . 7184 1 76 76 ILE . 7184 1 77 77 ASN . 7184 1 78 78 HIS . 7184 1 79 79 LYS . 7184 1 80 80 PRO . 7184 1 81 81 ASP . 7184 1 82 82 VAL . 7184 1 83 83 TRP . 7184 1 84 84 ALA . 7184 1 85 85 GLN . 7184 1 86 86 LEU . 7184 1 87 87 LYS . 7184 1 88 88 ALA . 7184 1 89 89 LYS . 7184 1 90 90 TYR . 7184 1 91 91 ASP . 7184 1 92 92 PRO . 7184 1 93 93 ASP . 7184 1 94 94 GLY . 7184 1 95 95 THR . 7184 1 96 96 TYR . 7184 1 97 97 SER . 7184 1 98 98 LYS . 7184 1 99 99 LYS . 7184 1 100 100 TYR . 7184 1 101 101 GLU . 7184 1 102 102 ASP . 7184 1 103 103 ARG . 7184 1 104 104 GLU . 7184 1 105 105 LYS . 7184 1 106 106 GLU . 7184 1 107 107 LEU . 7184 1 108 108 HIS . 7184 1 109 109 GLN . 7184 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 . GLU 1 1 7184 1 . GLU 2 2 7184 1 . LYS 3 3 7184 1 . TYR 4 4 7184 1 . THR 5 5 7184 1 . THR 6 6 7184 1 . LYS 7 7 7184 1 . TYR 8 8 7184 1 . ASP 9 9 7184 1 . ASN 10 10 7184 1 . VAL 11 11 7184 1 . ASN 12 12 7184 1 . LEU 13 13 7184 1 . ASP 14 14 7184 1 . GLU 15 15 7184 1 . ILE 16 16 7184 1 . LEU 17 17 7184 1 . ALA 18 18 7184 1 . ASN 19 19 7184 1 . ASP 20 20 7184 1 . ARG 21 21 7184 1 . LEU 22 22 7184 1 . LEU 23 23 7184 1 . ASN 24 24 7184 1 . LYS 25 25 7184 1 . TYR 26 26 7184 1 . VAL 27 27 7184 1 . GLN 28 28 7184 1 . CYS 29 29 7184 1 . LEU 30 30 7184 1 . LEU 31 31 7184 1 . GLU 32 32 7184 1 . ASP 33 33 7184 1 . ASP 34 34 7184 1 . GLU 35 35 7184 1 . SER 36 36 7184 1 . ASN 37 37 7184 1 . CYS 38 38 7184 1 . THR 39 39 7184 1 . ALA 40 40 7184 1 . ASP 41 41 7184 1 . GLY 42 42 7184 1 . LYS 43 43 7184 1 . GLU 44 44 7184 1 . LEU 45 45 7184 1 . LYS 46 46 7184 1 . SER 47 47 7184 1 . VAL 48 48 7184 1 . ILE 49 49 7184 1 . PRO 50 50 7184 1 . ASP 51 51 7184 1 . ALA 52 52 7184 1 . LEU 53 53 7184 1 . SER 54 54 7184 1 . ASN 55 55 7184 1 . GLU 56 56 7184 1 . CYS 57 57 7184 1 . ALA 58 58 7184 1 . LYS 59 59 7184 1 . CYS 60 60 7184 1 . ASN 61 61 7184 1 . GLU 62 62 7184 1 . LYS 63 63 7184 1 . GLN 64 64 7184 1 . LYS 65 65 7184 1 . GLU 66 66 7184 1 . GLY 67 67 7184 1 . THR 68 68 7184 1 . LYS 69 69 7184 1 . LYS 70 70 7184 1 . VAL 71 71 7184 1 . LEU 72 72 7184 1 . LYS 73 73 7184 1 . HIS 74 74 7184 1 . LEU 75 75 7184 1 . ILE 76 76 7184 1 . ASN 77 77 7184 1 . HIS 78 78 7184 1 . LYS 79 79 7184 1 . PRO 80 80 7184 1 . ASP 81 81 7184 1 . VAL 82 82 7184 1 . TRP 83 83 7184 1 . ALA 84 84 7184 1 . GLN 85 85 7184 1 . LEU 86 86 7184 1 . LYS 87 87 7184 1 . ALA 88 88 7184 1 . LYS 89 89 7184 1 . TYR 90 90 7184 1 . ASP 91 91 7184 1 . PRO 92 92 7184 1 . ASP 93 93 7184 1 . GLY 94 94 7184 1 . THR 95 95 7184 1 . TYR 96 96 7184 1 . SER 97 97 7184 1 . LYS 98 98 7184 1 . LYS 99 99 7184 1 . TYR 100 100 7184 1 . GLU 101 101 7184 1 . ASP 102 102 7184 1 . ARG 103 103 7184 1 . GLU 104 104 7184 1 . LYS 105 105 7184 1 . GLU 106 106 7184 1 . LEU 107 107 7184 1 . HIS 108 108 7184 1 . GLN 109 109 7184 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 7184 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CSP-sg4 . 7010 . . 'Schistocerca gregaria' 'desert locust' . . Eukaryota Metazoa Schistocerca gregaria . . . . . . . . . . . . . 7184 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 7184 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CSP-sg4 . 'recombinant technology' . . . . . . . . . . . . . . . . 7184 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7184 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'chemosensory protein CSP-sg4' '[U-13C; U-15N]' . . 1 $CSP-sg4 . . 1.2 . . mM . . . . 7184 1 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 7184 1 3 D2O . . . . . . . 5 . . % . . . . 7184 1 4 H2O . . . . . . . 95 . . % . . . . 7184 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7184 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 7184 1 pH 6.8 . pH 7184 1 pressure 1 . atm 7184 1 temperature 300 . K 7184 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7184 _Software.ID 1 _Software.Type . _Software.Name xwinnmr _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7184 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7184 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version linux _Software.DOI . _Software.Details 'Delaglio et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7184 2 stop_ save_ save_nmrview _Software.Sf_category software _Software.Sf_framecode nmrview _Software.Entry_ID 7184 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version 5.0.4 _Software.DOI . _Software.Details 'Johnson et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7184 3 stop_ save_ save_cyana _Software.Sf_category software _Software.Sf_framecode cyana _Software.Entry_ID 7184 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version 2.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7184 4 stop_ save_ save_amber _Software.Sf_category software _Software.Sf_framecode amber _Software.Entry_ID 7184 _Software.ID 5 _Software.Type . _Software.Name AMBER _Software.Version 99 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7184 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7184 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7184 _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 NMR_spectrometer Bruker DRX . 750 . . . 7184 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 7184 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7184 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7184 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7184 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 H2O protons . . . . ppm . internal indirect 0.101329118 . . . . . 7184 1 H 1 H2O protons . . . . ppm 4.81616 internal direct 1.0 . . . . . 7184 1 N 15 H2O protons . . . . ppm . internal indirect 0.251449530 . . . . . 7184 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7184 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 '3D 13C-separated NOESY' 1 $sample_1 . 7184 1 2 '3D 15N-separated NOESY' 1 $sample_1 . 7184 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU HA H 1 4.366 . . 1 . . . . . . . . . 7184 1 2 . 1 1 1 1 GLU N N 15 115.217 . . 1 . . . . . . . . . 7184 1 3 . 1 1 2 2 GLU H H 1 8.645 . . 1 . . . . . . . . . 7184 1 4 . 1 1 2 2 GLU HA H 1 4.274 . . 1 . . . . . . . . . 7184 1 5 . 1 1 2 2 GLU HB2 H 1 1.940 . . 2 . . . . . . . . . 7184 1 6 . 1 1 2 2 GLU HB3 H 1 2.000 . . 2 . . . . . . . . . 7184 1 7 . 1 1 2 2 GLU HG2 H 1 2.320 . . 2 . . . . . . . . . 7184 1 8 . 1 1 2 2 GLU HG3 H 1 2.240 . . 2 . . . . . . . . . 7184 1 9 . 1 1 2 2 GLU C C 13 174.510 . . 1 . . . . . . . . . 7184 1 10 . 1 1 2 2 GLU CA C 13 54.000 . . 1 . . . . . . . . . 7184 1 11 . 1 1 2 2 GLU CB C 13 27.700 . . 1 . . . . . . . . . 7184 1 12 . 1 1 2 2 GLU CG C 13 33.600 . . 1 . . . . . . . . . 7184 1 13 . 1 1 2 2 GLU N N 15 124.119 . . 1 . . . . . . . . . 7184 1 14 . 1 1 3 3 LYS H H 1 8.369 . . 1 . . . . . . . . . 7184 1 15 . 1 1 3 3 LYS HA H 1 4.300 . . 1 . . . . . . . . . 7184 1 16 . 1 1 3 3 LYS HB2 H 1 1.725 . . 2 . . . . . . . . . 7184 1 17 . 1 1 3 3 LYS HG2 H 1 1.660 . . 2 . . . . . . . . . 7184 1 18 . 1 1 3 3 LYS HD2 H 1 1.320 . . 2 . . . . . . . . . 7184 1 19 . 1 1 3 3 LYS HE2 H 1 2.980 . . 2 . . . . . . . . . 7184 1 20 . 1 1 3 3 LYS CA C 13 53.800 . . 1 . . . . . . . . . 7184 1 21 . 1 1 3 3 LYS CB C 13 30.500 . . 1 . . . . . . . . . 7184 1 22 . 1 1 3 3 LYS CG C 13 26.470 . . 1 . . . . . . . . . 7184 1 23 . 1 1 3 3 LYS CD C 13 22.08 . . 1 . . . . . . . . . 7184 1 24 . 1 1 3 3 LYS CE C 13 39.420 . . 1 . . . . . . . . . 7184 1 25 . 1 1 3 3 LYS N N 15 122.925 . . 1 . . . . . . . . . 7184 1 26 . 1 1 4 4 TYR H H 1 8.283 . . 1 . . . . . . . . . 7184 1 27 . 1 1 4 4 TYR HA H 1 4.657 . . 1 . . . . . . . . . 7184 1 28 . 1 1 4 4 TYR HB2 H 1 3.000 . . 2 . . . . . . . . . 7184 1 29 . 1 1 4 4 TYR HB3 H 1 3.120 . . 2 . . . . . . . . . 7184 1 30 . 1 1 4 4 TYR HD1 H 1 7.130 . . 3 . . . . . . . . . 7184 1 31 . 1 1 4 4 TYR HE1 H 1 6.845 . . 3 . . . . . . . . . 7184 1 32 . 1 1 4 4 TYR CA C 13 55.100 . . 1 . . . . . . . . . 7184 1 33 . 1 1 4 4 TYR CB C 13 36.200 . . 1 . . . . . . . . . 7184 1 34 . 1 1 4 4 TYR N N 15 122.131 . . 1 . . . . . . . . . 7184 1 35 . 1 1 5 5 THR H H 1 8.000 . . 1 . . . . . . . . . 7184 1 36 . 1 1 5 5 THR HA H 1 4.390 . . 1 . . . . . . . . . 7184 1 37 . 1 1 5 5 THR HB H 1 4.116 . . 1 . . . . . . . . . 7184 1 38 . 1 1 5 5 THR HG21 H 1 1.170 . . 1 . . . . . . . . . 7184 1 39 . 1 1 5 5 THR HG22 H 1 1.170 . . 1 . . . . . . . . . 7184 1 40 . 1 1 5 5 THR HG23 H 1 1.170 . . 1 . . . . . . . . . 7184 1 41 . 1 1 5 5 THR C C 13 171.950 . . 1 . . . . . . . . . 7184 1 42 . 1 1 5 5 THR N N 15 117.868 . . 1 . . . . . . . . . 7184 1 43 . 1 1 6 6 THR H H 1 8.375 . . 1 . . . . . . . . . 7184 1 44 . 1 1 6 6 THR HA H 1 4.230 . . 1 . . . . . . . . . 7184 1 45 . 1 1 6 6 THR HB H 1 4.080 . . 1 . . . . . . . . . 7184 1 46 . 1 1 6 6 THR HG21 H 1 1.160 . . 1 . . . . . . . . . 7184 1 47 . 1 1 6 6 THR HG22 H 1 1.160 . . 1 . . . . . . . . . 7184 1 48 . 1 1 6 6 THR HG23 H 1 1.160 . . 1 . . . . . . . . . 7184 1 49 . 1 1 6 6 THR C C 13 177.170 . . 1 . . . . . . . . . 7184 1 50 . 1 1 6 6 THR CA C 13 60.170 . . 1 . . . . . . . . . 7184 1 51 . 1 1 6 6 THR CB C 13 66.500 . . 1 . . . . . . . . . 7184 1 52 . 1 1 6 6 THR CG2 C 13 20.100 . . 1 . . . . . . . . . 7184 1 53 . 1 1 6 6 THR N N 15 120.300 . . 1 . . . . . . . . . 7184 1 54 . 1 1 7 7 LYS H H 1 8.357 . . 1 . . . . . . . . . 7184 1 55 . 1 1 7 7 LYS HA H 1 4.700 . . 1 . . . . . . . . . 7184 1 56 . 1 1 7 7 LYS HB2 H 1 1.373 . . 2 . . . . . . . . . 7184 1 57 . 1 1 7 7 LYS HB3 H 1 1.654 . . 2 . . . . . . . . . 7184 1 58 . 1 1 7 7 LYS HG2 H 1 1.123 . . 2 . . . . . . . . . 7184 1 59 . 1 1 7 7 LYS HG3 H 1 1.390 . . 2 . . . . . . . . . 7184 1 60 . 1 1 7 7 LYS HD2 H 1 1.459 . . 2 . . . . . . . . . 7184 1 61 . 1 1 7 7 LYS HD3 H 1 1.561 . . 2 . . . . . . . . . 7184 1 62 . 1 1 7 7 LYS HE2 H 1 2.920 . . 2 . . . . . . . . . 7184 1 63 . 1 1 7 7 LYS C C 13 175.470 . . 1 . . . . . . . . . 7184 1 64 . 1 1 7 7 LYS CA C 13 52.998 . . 1 . . . . . . . . . 7184 1 65 . 1 1 7 7 LYS CB C 13 32.400 . . 1 . . . . . . . . . 7184 1 66 . 1 1 7 7 LYS CG C 13 22.50 . . 1 . . . . . . . . . 7184 1 67 . 1 1 7 7 LYS CD C 13 26.900 . . 1 . . . . . . . . . 7184 1 68 . 1 1 7 7 LYS CE C 13 39.600 . . 1 . . . . . . . . . 7184 1 69 . 1 1 7 7 LYS N N 15 125.744 . . 1 . . . . . . . . . 7184 1 70 . 1 1 8 8 TYR H H 1 8.660 . . 1 . . . . . . . . . 7184 1 71 . 1 1 8 8 TYR HA H 1 4.840 . . 1 . . . . . . . . . 7184 1 72 . 1 1 8 8 TYR HB2 H 1 2.730 . . 2 . . . . . . . . . 7184 1 73 . 1 1 8 8 TYR HB3 H 1 2.810 . . 2 . . . . . . . . . 7184 1 74 . 1 1 8 8 TYR HD1 H 1 6.630 . . 3 . . . . . . . . . 7184 1 75 . 1 1 8 8 TYR HE1 H 1 6.830 . . 3 . . . . . . . . . 7184 1 76 . 1 1 8 8 TYR CA C 13 54.400 . . 1 . . . . . . . . . 7184 1 77 . 1 1 8 8 TYR CB C 13 36.700 . . 1 . . . . . . . . . 7184 1 78 . 1 1 8 8 TYR N N 15 122.200 . . 1 . . . . . . . . . 7184 1 79 . 1 1 10 10 ASN H H 1 8.673 . . 1 . . . . . . . . . 7184 1 80 . 1 1 10 10 ASN HA H 1 4.288 . . 1 . . . . . . . . . 7184 1 81 . 1 1 10 10 ASN HB2 H 1 2.935 . . 2 . . . . . . . . . 7184 1 82 . 1 1 10 10 ASN HB3 H 1 3.141 . . 2 . . . . . . . . . 7184 1 83 . 1 1 10 10 ASN HD21 H 1 6.932 . . 2 . . . . . . . . . 7184 1 84 . 1 1 10 10 ASN HD22 H 1 7.594 . . 2 . . . . . . . . . 7184 1 85 . 1 1 10 10 ASN C C 13 174.250 . . 1 . . . . . . . . . 7184 1 86 . 1 1 10 10 ASN CA C 13 51.996 . . 1 . . . . . . . . . 7184 1 87 . 1 1 10 10 ASN CB C 13 35.930 . . 1 . . . . . . . . . 7184 1 88 . 1 1 10 10 ASN N N 15 110.440 . . 1 . . . . . . . . . 7184 1 89 . 1 1 10 10 ASN ND2 N 15 113.540 . . 1 . . . . . . . . . 7184 1 90 . 1 1 11 11 VAL H H 1 8.200 . . 1 . . . . . . . . . 7184 1 91 . 1 1 11 11 VAL HA H 1 4.318 . . 1 . . . . . . . . . 7184 1 92 . 1 1 11 11 VAL HB H 1 2.140 . . 1 . . . . . . . . . 7184 1 93 . 1 1 11 11 VAL HG11 H 1 1.072 . . 1 . . . . . . . . . 7184 1 94 . 1 1 11 11 VAL HG12 H 1 1.072 . . 1 . . . . . . . . . 7184 1 95 . 1 1 11 11 VAL HG13 H 1 1.072 . . 1 . . . . . . . . . 7184 1 96 . 1 1 11 11 VAL HG21 H 1 0.999 . . 1 . . . . . . . . . 7184 1 97 . 1 1 11 11 VAL HG22 H 1 0.999 . . 1 . . . . . . . . . 7184 1 98 . 1 1 11 11 VAL HG23 H 1 0.999 . . 1 . . . . . . . . . 7184 1 99 . 1 1 11 11 VAL C C 13 175.890 . . 1 . . . . . . . . . 7184 1 100 . 1 1 11 11 VAL CA C 13 58.460 . . 1 . . . . . . . . . 7184 1 101 . 1 1 11 11 VAL CB C 13 31.300 . . 1 . . . . . . . . . 7184 1 102 . 1 1 11 11 VAL CG1 C 13 18.40 . . 1 . . . . . . . . . 7184 1 103 . 1 1 11 11 VAL CG2 C 13 19.20 . . 1 . . . . . . . . . 7184 1 104 . 1 1 11 11 VAL N N 15 122.017 . . 1 . . . . . . . . . 7184 1 105 . 1 1 12 12 ASN H H 1 8.795 . . 1 . . . . . . . . . 7184 1 106 . 1 1 12 12 ASN HA H 1 4.601 . . 1 . . . . . . . . . 7184 1 107 . 1 1 12 12 ASN HB2 H 1 2.845 . . 2 . . . . . . . . . 7184 1 108 . 1 1 12 12 ASN HB3 H 1 2.925 . . 2 . . . . . . . . . 7184 1 109 . 1 1 12 12 ASN HD21 H 1 7.780 . . 2 . . . . . . . . . 7184 1 110 . 1 1 12 12 ASN HD22 H 1 7.107 . . 2 . . . . . . . . . 7184 1 111 . 1 1 12 12 ASN C C 13 173.880 . . 1 . . . . . . . . . 7184 1 112 . 1 1 12 12 ASN CA C 13 51.232 . . 1 . . . . . . . . . 7184 1 113 . 1 1 12 12 ASN CB C 13 35.900 . . 1 . . . . . . . . . 7184 1 114 . 1 1 12 12 ASN N N 15 125.203 . . 1 . . . . . . . . . 7184 1 115 . 1 1 12 12 ASN ND2 N 15 113.596 . . 1 . . . . . . . . . 7184 1 116 . 1 1 13 13 LEU H H 1 8.794 . . 1 . . . . . . . . . 7184 1 117 . 1 1 13 13 LEU HA H 1 3.929 . . 1 . . . . . . . . . 7184 1 118 . 1 1 13 13 LEU HB2 H 1 1.367 . . 2 . . . . . . . . . 7184 1 119 . 1 1 13 13 LEU HB3 H 1 1.617 . . 2 . . . . . . . . . 7184 1 120 . 1 1 13 13 LEU HG H 1 1.430 . . 1 . . . . . . . . . 7184 1 121 . 1 1 13 13 LEU HD11 H 1 0.700 . . 2 . . . . . . . . . 7184 1 122 . 1 1 13 13 LEU HD12 H 1 0.700 . . 2 . . . . . . . . . 7184 1 123 . 1 1 13 13 LEU HD13 H 1 0.700 . . 2 . . . . . . . . . 7184 1 124 . 1 1 13 13 LEU HD21 H 1 0.518 . . 2 . . . . . . . . . 7184 1 125 . 1 1 13 13 LEU HD22 H 1 0.518 . . 2 . . . . . . . . . 7184 1 126 . 1 1 13 13 LEU HD23 H 1 0.518 . . 2 . . . . . . . . . 7184 1 127 . 1 1 13 13 LEU C C 13 173.300 . . 1 . . . . . . . . . 7184 1 128 . 1 1 13 13 LEU CA C 13 55.209 . . 1 . . . . . . . . . 7184 1 129 . 1 1 13 13 LEU CB C 13 39.100 . . 1 . . . . . . . . . 7184 1 130 . 1 1 13 13 LEU CG C 13 23.791 . . 1 . . . . . . . . . 7184 1 131 . 1 1 13 13 LEU CD1 C 13 23.077 . . 1 . . . . . . . . . 7184 1 132 . 1 1 13 13 LEU CD2 C 13 19.80 . . 1 . . . . . . . . . 7184 1 133 . 1 1 13 13 LEU N N 15 126.927 . . 1 . . . . . . . . . 7184 1 134 . 1 1 14 14 ASP H H 1 8.403 . . 1 . . . . . . . . . 7184 1 135 . 1 1 14 14 ASP HA H 1 4.207 . . 1 . . . . . . . . . 7184 1 136 . 1 1 14 14 ASP HB2 H 1 2.580 . . 2 . . . . . . . . . 7184 1 137 . 1 1 14 14 ASP HB3 H 1 2.610 . . 2 . . . . . . . . . 7184 1 138 . 1 1 14 14 ASP C C 13 171.880 . . 1 . . . . . . . . . 7184 1 139 . 1 1 14 14 ASP CA C 13 54.860 . . 1 . . . . . . . . . 7184 1 140 . 1 1 14 14 ASP CB C 13 36.990 . . 1 . . . . . . . . . 7184 1 141 . 1 1 14 14 ASP N N 15 116.561 . . 1 . . . . . . . . . 7184 1 142 . 1 1 15 15 GLU H H 1 7.427 . . 1 . . . . . . . . . 7184 1 143 . 1 1 15 15 GLU HA H 1 4.074 . . 1 . . . . . . . . . 7184 1 144 . 1 1 15 15 GLU HB2 H 1 2.372 . . 2 . . . . . . . . . 7184 1 145 . 1 1 15 15 GLU HG2 H 1 2.238 . . 2 . . . . . . . . . 7184 1 146 . 1 1 15 15 GLU HG3 H 1 2.310 . . 2 . . . . . . . . . 7184 1 147 . 1 1 15 15 GLU C C 13 172.050 . . 1 . . . . . . . . . 7184 1 148 . 1 1 15 15 GLU CA C 13 55.967 . . 1 . . . . . . . . . 7184 1 149 . 1 1 15 15 GLU CB C 13 26.900 . . 1 . . . . . . . . . 7184 1 150 . 1 1 15 15 GLU CG C 13 33.700 . . 1 . . . . . . . . . 7184 1 151 . 1 1 15 15 GLU N N 15 119.957 . . 1 . . . . . . . . . 7184 1 152 . 1 1 16 16 ILE H H 1 7.426 . . 1 . . . . . . . . . 7184 1 153 . 1 1 16 16 ILE HA H 1 3.675 . . 1 . . . . . . . . . 7184 1 154 . 1 1 16 16 ILE HB H 1 1.920 . . 1 . . . . . . . . . 7184 1 155 . 1 1 16 16 ILE HG12 H 1 0.963 . . 2 . . . . . . . . . 7184 1 156 . 1 1 16 16 ILE HG13 H 1 1.730 . . 2 . . . . . . . . . 7184 1 157 . 1 1 16 16 ILE HD11 H 1 0.538 . . 1 . . . . . . . . . 7184 1 158 . 1 1 16 16 ILE HD12 H 1 0.538 . . 1 . . . . . . . . . 7184 1 159 . 1 1 16 16 ILE HD13 H 1 0.538 . . 1 . . . . . . . . . 7184 1 160 . 1 1 16 16 ILE C C 13 174.190 . . 1 . . . . . . . . . 7184 1 161 . 1 1 16 16 ILE CA C 13 62.350 . . 1 . . . . . . . . . 7184 1 162 . 1 1 16 16 ILE CB C 13 35.050 . . 1 . . . . . . . . . 7184 1 163 . 1 1 16 16 ILE CG1 C 13 26.300 . . 2 . . . . . . . . . 7184 1 164 . 1 1 16 16 ILE CD1 C 13 14.30 . . 1 . . . . . . . . . 7184 1 165 . 1 1 16 16 ILE N N 15 121.141 . . 1 . . . . . . . . . 7184 1 166 . 1 1 17 17 LEU H H 1 7.649 . . 1 . . . . . . . . . 7184 1 167 . 1 1 17 17 LEU HA H 1 3.590 . . 1 . . . . . . . . . 7184 1 168 . 1 1 17 17 LEU HB2 H 1 1.509 . . 2 . . . . . . . . . 7184 1 169 . 1 1 17 17 LEU HG H 1 1.670 . . 1 . . . . . . . . . 7184 1 170 . 1 1 17 17 LEU HD11 H 1 0.527 . . 2 . . . . . . . . . 7184 1 171 . 1 1 17 17 LEU HD12 H 1 0.527 . . 2 . . . . . . . . . 7184 1 172 . 1 1 17 17 LEU HD13 H 1 0.527 . . 2 . . . . . . . . . 7184 1 173 . 1 1 17 17 LEU HD21 H 1 0.697 . . 2 . . . . . . . . . 7184 1 174 . 1 1 17 17 LEU HD22 H 1 0.697 . . 2 . . . . . . . . . 7184 1 175 . 1 1 17 17 LEU HD23 H 1 0.697 . . 2 . . . . . . . . . 7184 1 176 . 1 1 17 17 LEU C C 13 173.760 . . 1 . . . . . . . . . 7184 1 177 . 1 1 17 17 LEU CA C 13 53.850 . . 1 . . . . . . . . . 7184 1 178 . 1 1 17 17 LEU CB C 13 37.800 . . 1 . . . . . . . . . 7184 1 179 . 1 1 17 17 LEU CG C 13 23.300 . . 1 . . . . . . . . . 7184 1 180 . 1 1 17 17 LEU CD1 C 13 19.90 . . 1 . . . . . . . . . 7184 1 181 . 1 1 17 17 LEU CD2 C 13 19.38 . . 1 . . . . . . . . . 7184 1 182 . 1 1 17 17 LEU N N 15 113.201 . . 1 . . . . . . . . . 7184 1 183 . 1 1 18 18 ALA H H 1 6.911 . . 1 . . . . . . . . . 7184 1 184 . 1 1 18 18 ALA HA H 1 4.298 . . 1 . . . . . . . . . 7184 1 185 . 1 1 18 18 ALA HB1 H 1 1.455 . . 1 . . . . . . . . . 7184 1 186 . 1 1 18 18 ALA HB2 H 1 1.455 . . 1 . . . . . . . . . 7184 1 187 . 1 1 18 18 ALA HB3 H 1 1.455 . . 1 . . . . . . . . . 7184 1 188 . 1 1 18 18 ALA C C 13 174.160 . . 1 . . . . . . . . . 7184 1 189 . 1 1 18 18 ALA CA C 13 49.140 . . 1 . . . . . . . . . 7184 1 190 . 1 1 18 18 ALA CB C 13 16.90 . . 1 . . . . . . . . . 7184 1 191 . 1 1 18 18 ALA N N 15 116.516 . . 1 . . . . . . . . . 7184 1 192 . 1 1 19 19 ASN H H 1 7.486 . . 1 . . . . . . . . . 7184 1 193 . 1 1 19 19 ASN HA H 1 5.024 . . 1 . . . . . . . . . 7184 1 194 . 1 1 19 19 ASN HB2 H 1 2.815 . . 2 . . . . . . . . . 7184 1 195 . 1 1 19 19 ASN HB3 H 1 3.065 . . 2 . . . . . . . . . 7184 1 196 . 1 1 19 19 ASN HD21 H 1 7.011 . . 2 . . . . . . . . . 7184 1 197 . 1 1 19 19 ASN HD22 H 1 8.008 . . 2 . . . . . . . . . 7184 1 198 . 1 1 19 19 ASN C C 13 176.590 . . 1 . . . . . . . . . 7184 1 199 . 1 1 19 19 ASN CA C 13 48.870 . . 1 . . . . . . . . . 7184 1 200 . 1 1 19 19 ASN CB C 13 37.500 . . 1 . . . . . . . . . 7184 1 201 . 1 1 19 19 ASN N N 15 118.888 . . 1 . . . . . . . . . 7184 1 202 . 1 1 19 19 ASN ND2 N 15 113.740 . . 1 . . . . . . . . . 7184 1 203 . 1 1 20 20 ASP H H 1 9.045 . . 1 . . . . . . . . . 7184 1 204 . 1 1 20 20 ASP HA H 1 4.429 . . 1 . . . . . . . . . 7184 1 205 . 1 1 20 20 ASP HB2 H 1 2.725 . . 2 . . . . . . . . . 7184 1 206 . 1 1 20 20 ASP C C 13 173.360 . . 1 . . . . . . . . . 7184 1 207 . 1 1 20 20 ASP CA C 13 55.566 . . 1 . . . . . . . . . 7184 1 208 . 1 1 20 20 ASP CB C 13 38.072 . . 1 . . . . . . . . . 7184 1 209 . 1 1 20 20 ASP N N 15 126.730 . . 1 . . . . . . . . . 7184 1 210 . 1 1 21 21 ARG H H 1 8.206 . . 1 . . . . . . . . . 7184 1 211 . 1 1 21 21 ARG HA H 1 4.160 . . 1 . . . . . . . . . 7184 1 212 . 1 1 21 21 ARG HB2 H 1 1.950 . . 2 . . . . . . . . . 7184 1 213 . 1 1 21 21 ARG HB3 H 1 1.980 . . 2 . . . . . . . . . 7184 1 214 . 1 1 21 21 ARG HG2 H 1 1.690 . . 2 . . . . . . . . . 7184 1 215 . 1 1 21 21 ARG HG3 H 1 1.800 . . 2 . . . . . . . . . 7184 1 216 . 1 1 21 21 ARG HD2 H 1 3.310 . . 2 . . . . . . . . . 7184 1 217 . 1 1 21 21 ARG C C 13 171.630 . . 1 . . . . . . . . . 7184 1 218 . 1 1 21 21 ARG CA C 13 56.638 . . 1 . . . . . . . . . 7184 1 219 . 1 1 21 21 ARG CB C 13 27.004 . . 1 . . . . . . . . . 7184 1 220 . 1 1 21 21 ARG CG C 13 24.862 . . 1 . . . . . . . . . 7184 1 221 . 1 1 21 21 ARG CD C 13 40.290 . . 1 . . . . . . . . . 7184 1 222 . 1 1 21 21 ARG N N 15 117.834 . . 1 . . . . . . . . . 7184 1 223 . 1 1 22 22 LEU H H 1 7.650 . . 1 . . . . . . . . . 7184 1 224 . 1 1 22 22 LEU HA H 1 4.386 . . 1 . . . . . . . . . 7184 1 225 . 1 1 22 22 LEU HB2 H 1 1.650 . . 2 . . . . . . . . . 7184 1 226 . 1 1 22 22 LEU HB3 H 1 2.280 . . 2 . . . . . . . . . 7184 1 227 . 1 1 22 22 LEU HG H 1 1.730 . . 1 . . . . . . . . . 7184 1 228 . 1 1 22 22 LEU HD11 H 1 1.056 . . 2 . . . . . . . . . 7184 1 229 . 1 1 22 22 LEU HD12 H 1 1.056 . . 2 . . . . . . . . . 7184 1 230 . 1 1 22 22 LEU HD13 H 1 1.056 . . 2 . . . . . . . . . 7184 1 231 . 1 1 22 22 LEU HD21 H 1 0.983 . . 2 . . . . . . . . . 7184 1 232 . 1 1 22 22 LEU HD22 H 1 0.983 . . 2 . . . . . . . . . 7184 1 233 . 1 1 22 22 LEU HD23 H 1 0.983 . . 2 . . . . . . . . . 7184 1 234 . 1 1 22 22 LEU C C 13 171.630 . . 1 . . . . . . . . . 7184 1 235 . 1 1 22 22 LEU CA C 13 54.156 . . 1 . . . . . . . . . 7184 1 236 . 1 1 22 22 LEU CB C 13 39.900 . . 1 . . . . . . . . . 7184 1 237 . 1 1 22 22 LEU CG C 13 24.600 . . 1 . . . . . . . . . 7184 1 238 . 1 1 22 22 LEU CD1 C 13 22.30 . . 1 . . . . . . . . . 7184 1 239 . 1 1 22 22 LEU CD2 C 13 20.01 . . 2 . . . . . . . . . 7184 1 240 . 1 1 22 22 LEU N N 15 119.721 . . 1 . . . . . . . . . 7184 1 241 . 1 1 23 23 LEU H H 1 8.817 . . 1 . . . . . . . . . 7184 1 242 . 1 1 23 23 LEU HA H 1 4.040 . . 1 . . . . . . . . . 7184 1 243 . 1 1 23 23 LEU HB2 H 1 1.929 . . 2 . . . . . . . . . 7184 1 244 . 1 1 23 23 LEU HB3 H 1 2.073 . . 2 . . . . . . . . . 7184 1 245 . 1 1 23 23 LEU HG H 1 1.723 . . 1 . . . . . . . . . 7184 1 246 . 1 1 23 23 LEU HD11 H 1 0.898 . . 2 . . . . . . . . . 7184 1 247 . 1 1 23 23 LEU HD12 H 1 0.898 . . 2 . . . . . . . . . 7184 1 248 . 1 1 23 23 LEU HD13 H 1 0.898 . . 2 . . . . . . . . . 7184 1 249 . 1 1 23 23 LEU HD21 H 1 1.062 . . 2 . . . . . . . . . 7184 1 250 . 1 1 23 23 LEU HD22 H 1 1.062 . . 2 . . . . . . . . . 7184 1 251 . 1 1 23 23 LEU HD23 H 1 1.062 . . 2 . . . . . . . . . 7184 1 252 . 1 1 23 23 LEU C C 13 171.340 . . 1 . . . . . . . . . 7184 1 253 . 1 1 23 23 LEU CA C 13 55.923 . . 1 . . . . . . . . . 7184 1 254 . 1 1 23 23 LEU CB C 13 37.420 . . 1 . . . . . . . . . 7184 1 255 . 1 1 23 23 LEU CG C 13 24.505 . . 1 . . . . . . . . . 7184 1 256 . 1 1 23 23 LEU CD1 C 13 22.00 . . 1 . . . . . . . . . 7184 1 257 . 1 1 23 23 LEU CD2 C 13 20.10 . . 1 . . . . . . . . . 7184 1 258 . 1 1 23 23 LEU N N 15 122.328 . . 1 . . . . . . . . . 7184 1 259 . 1 1 24 24 ASN H H 1 8.649 . . 1 . . . . . . . . . 7184 1 260 . 1 1 24 24 ASN HA H 1 4.497 . . 1 . . . . . . . . . 7184 1 261 . 1 1 24 24 ASN HB2 H 1 2.851 . . 2 . . . . . . . . . 7184 1 262 . 1 1 24 24 ASN HB3 H 1 3.017 . . 2 . . . . . . . . . 7184 1 263 . 1 1 24 24 ASN HD21 H 1 6.893 . . 2 . . . . . . . . . 7184 1 264 . 1 1 24 24 ASN HD22 H 1 7.548 . . 2 . . . . . . . . . 7184 1 265 . 1 1 24 24 ASN C C 13 171.720 . . 1 . . . . . . . . . 7184 1 266 . 1 1 24 24 ASN CA C 13 53.440 . . 1 . . . . . . . . . 7184 1 267 . 1 1 24 24 ASN CB C 13 35.200 . . 1 . . . . . . . . . 7184 1 268 . 1 1 24 24 ASN N N 15 116.291 . . 1 . . . . . . . . . 7184 1 269 . 1 1 24 24 ASN ND2 N 15 111.900 . . 1 . . . . . . . . . 7184 1 270 . 1 1 25 25 LYS H H 1 7.534 . . 1 . . . . . . . . . 7184 1 271 . 1 1 25 25 LYS HA H 1 4.242 . . 1 . . . . . . . . . 7184 1 272 . 1 1 25 25 LYS HB2 H 1 1.930 . . 2 . . . . . . . . . 7184 1 273 . 1 1 25 25 LYS HB3 H 1 1.980 . . 2 . . . . . . . . . 7184 1 274 . 1 1 25 25 LYS HG2 H 1 1.520 . . 2 . . . . . . . . . 7184 1 275 . 1 1 25 25 LYS HG3 H 1 1.590 . . 2 . . . . . . . . . 7184 1 276 . 1 1 25 25 LYS HD2 H 1 1.738 . . 2 . . . . . . . . . 7184 1 277 . 1 1 25 25 LYS HE2 H 1 2.987 . . 2 . . . . . . . . . 7184 1 278 . 1 1 25 25 LYS C C 13 171.630 . . 1 . . . . . . . . . 7184 1 279 . 1 1 25 25 LYS CA C 13 56.280 . . 1 . . . . . . . . . 7184 1 280 . 1 1 25 25 LYS CB C 13 29.146 . . 1 . . . . . . . . . 7184 1 281 . 1 1 25 25 LYS CG C 13 22.01 . . 1 . . . . . . . . . 7184 1 282 . 1 1 25 25 LYS CD C 13 26.647 . . 1 . . . . . . . . . 7184 1 283 . 1 1 25 25 LYS CE C 13 39.143 . . 1 . . . . . . . . . 7184 1 284 . 1 1 25 25 LYS N N 15 119.705 . . 1 . . . . . . . . . 7184 1 285 . 1 1 26 26 TYR H H 1 7.694 . . 1 . . . . . . . . . 7184 1 286 . 1 1 26 26 TYR HA H 1 4.137 . . 1 . . . . . . . . . 7184 1 287 . 1 1 26 26 TYR HB2 H 1 2.798 . . 2 . . . . . . . . . 7184 1 288 . 1 1 26 26 TYR HB3 H 1 3.136 . . 2 . . . . . . . . . 7184 1 289 . 1 1 26 26 TYR HD1 H 1 7.142 . . 3 . . . . . . . . . 7184 1 290 . 1 1 26 26 TYR HE1 H 1 6.642 . . 3 . . . . . . . . . 7184 1 291 . 1 1 26 26 TYR C C 13 172.710 . . 1 . . . . . . . . . 7184 1 292 . 1 1 26 26 TYR CA C 13 59.340 . . 1 . . . . . . . . . 7184 1 293 . 1 1 26 26 TYR CB C 13 34.859 . . 1 . . . . . . . . . 7184 1 294 . 1 1 26 26 TYR N N 15 120.595 . . 1 . . . . . . . . . 7184 1 295 . 1 1 27 27 VAL H H 1 8.557 . . 1 . . . . . . . . . 7184 1 296 . 1 1 27 27 VAL HA H 1 3.437 . . 1 . . . . . . . . . 7184 1 297 . 1 1 27 27 VAL HB H 1 2.300 . . 1 . . . . . . . . . 7184 1 298 . 1 1 27 27 VAL HG11 H 1 1.065 . . 1 . . . . . . . . . 7184 1 299 . 1 1 27 27 VAL HG12 H 1 1.065 . . 1 . . . . . . . . . 7184 1 300 . 1 1 27 27 VAL HG13 H 1 1.065 . . 1 . . . . . . . . . 7184 1 301 . 1 1 27 27 VAL HG21 H 1 1.140 . . 1 . . . . . . . . . 7184 1 302 . 1 1 27 27 VAL HG22 H 1 1.140 . . 1 . . . . . . . . . 7184 1 303 . 1 1 27 27 VAL HG23 H 1 1.140 . . 1 . . . . . . . . . 7184 1 304 . 1 1 27 27 VAL C C 13 173.910 . . 1 . . . . . . . . . 7184 1 305 . 1 1 27 27 VAL CA C 13 65.000 . . 1 . . . . . . . . . 7184 1 306 . 1 1 27 27 VAL CB C 13 28.789 . . 1 . . . . . . . . . 7184 1 307 . 1 1 27 27 VAL CG1 C 13 20.70 . . 1 . . . . . . . . . 7184 1 308 . 1 1 27 27 VAL CG2 C 13 20.30 . . 1 . . . . . . . . . 7184 1 309 . 1 1 27 27 VAL N N 15 120.386 . . 1 . . . . . . . . . 7184 1 310 . 1 1 28 28 GLN H H 1 8.213 . . 1 . . . . . . . . . 7184 1 311 . 1 1 28 28 GLN HA H 1 3.984 . . 1 . . . . . . . . . 7184 1 312 . 1 1 28 28 GLN HB2 H 1 2.120 . . 2 . . . . . . . . . 7184 1 313 . 1 1 28 28 GLN HB3 H 1 2.170 . . 2 . . . . . . . . . 7184 1 314 . 1 1 28 28 GLN HG2 H 1 2.291 . . 2 . . . . . . . . . 7184 1 315 . 1 1 28 28 GLN HG3 H 1 2.499 . . 2 . . . . . . . . . 7184 1 316 . 1 1 28 28 GLN HE21 H 1 7.782 . . 2 . . . . . . . . . 7184 1 317 . 1 1 28 28 GLN HE22 H 1 6.750 . . 2 . . . . . . . . . 7184 1 318 . 1 1 28 28 GLN C C 13 173.700 . . 1 . . . . . . . . . 7184 1 319 . 1 1 28 28 GLN CA C 13 56.995 . . 1 . . . . . . . . . 7184 1 320 . 1 1 28 28 GLN CB C 13 24.862 . . 1 . . . . . . . . . 7184 1 321 . 1 1 28 28 GLN CG C 13 30.900 . . 1 . . . . . . . . . 7184 1 322 . 1 1 28 28 GLN N N 15 119.250 . . 1 . . . . . . . . . 7184 1 323 . 1 1 28 28 GLN NE2 N 15 111.777 . . 1 . . . . . . . . . 7184 1 324 . 1 1 29 29 CYS H H 1 7.020 . . 1 . . . . . . . . . 7184 1 325 . 1 1 29 29 CYS HA H 1 4.447 . . 1 . . . . . . . . . 7184 1 326 . 1 1 29 29 CYS HB2 H 1 3.340 . . 2 . . . . . . . . . 7184 1 327 . 1 1 29 29 CYS HB3 H 1 3.370 . . 2 . . . . . . . . . 7184 1 328 . 1 1 29 29 CYS C C 13 173.70 . . 1 . . . . . . . . . 7184 1 329 . 1 1 29 29 CYS CA C 13 55.567 . . 1 . . . . . . . . . 7184 1 330 . 1 1 29 29 CYS CB C 13 37.740 . . 1 . . . . . . . . . 7184 1 331 . 1 1 29 29 CYS N N 15 114.501 . . 1 . . . . . . . . . 7184 1 332 . 1 1 30 30 LEU H H 1 7.814 . . 1 . . . . . . . . . 7184 1 333 . 1 1 30 30 LEU HA H 1 4.068 . . 1 . . . . . . . . . 7184 1 334 . 1 1 30 30 LEU HB2 H 1 1.450 . . 2 . . . . . . . . . 7184 1 335 . 1 1 30 30 LEU HG H 1 2.220 . . 1 . . . . . . . . . 7184 1 336 . 1 1 30 30 LEU HD11 H 1 0.789 . . 2 . . . . . . . . . 7184 1 337 . 1 1 30 30 LEU HD12 H 1 0.789 . . 2 . . . . . . . . . 7184 1 338 . 1 1 30 30 LEU HD13 H 1 0.789 . . 2 . . . . . . . . . 7184 1 339 . 1 1 30 30 LEU HD21 H 1 0.821 . . 2 . . . . . . . . . 7184 1 340 . 1 1 30 30 LEU HD22 H 1 0.821 . . 2 . . . . . . . . . 7184 1 341 . 1 1 30 30 LEU HD23 H 1 0.821 . . 2 . . . . . . . . . 7184 1 342 . 1 1 30 30 LEU C C 13 171.400 . . 1 . . . . . . . . . 7184 1 343 . 1 1 30 30 LEU CA C 13 55.209 . . 1 . . . . . . . . . 7184 1 344 . 1 1 30 30 LEU CB C 13 39.440 . . 1 . . . . . . . . . 7184 1 345 . 1 1 30 30 LEU CG C 13 23.800 . . 1 . . . . . . . . . 7184 1 346 . 1 1 30 30 LEU CD1 C 13 19.80 . . 1 . . . . . . . . . 7184 1 347 . 1 1 30 30 LEU CD2 C 13 21.30 . . 1 . . . . . . . . . 7184 1 348 . 1 1 30 30 LEU N N 15 114.855 . . 1 . . . . . . . . . 7184 1 349 . 1 1 31 31 LEU H H 1 8.339 . . 1 . . . . . . . . . 7184 1 350 . 1 1 31 31 LEU HA H 1 4.284 . . 1 . . . . . . . . . 7184 1 351 . 1 1 31 31 LEU HB2 H 1 1.589 . . 2 . . . . . . . . . 7184 1 352 . 1 1 31 31 LEU HB3 H 1 1.939 . . 2 . . . . . . . . . 7184 1 353 . 1 1 31 31 LEU HG H 1 1.879 . . 1 . . . . . . . . . 7184 1 354 . 1 1 31 31 LEU HD11 H 1 0.900 . . 2 . . . . . . . . . 7184 1 355 . 1 1 31 31 LEU HD12 H 1 0.900 . . 2 . . . . . . . . . 7184 1 356 . 1 1 31 31 LEU HD13 H 1 0.900 . . 2 . . . . . . . . . 7184 1 357 . 1 1 31 31 LEU HD21 H 1 0.814 . . 2 . . . . . . . . . 7184 1 358 . 1 1 31 31 LEU HD22 H 1 0.814 . . 2 . . . . . . . . . 7184 1 359 . 1 1 31 31 LEU HD23 H 1 0.814 . . 2 . . . . . . . . . 7184 1 360 . 1 1 31 31 LEU C C 13 172.560 . . 1 . . . . . . . . . 7184 1 361 . 1 1 31 31 LEU CA C 13 53.424 . . 1 . . . . . . . . . 7184 1 362 . 1 1 31 31 LEU CB C 13 40.024 . . 1 . . . . . . . . . 7184 1 363 . 1 1 31 31 LEU CG C 13 24.862 . . 1 . . . . . . . . . 7184 1 364 . 1 1 31 31 LEU CD1 C 13 23.077 . . 1 . . . . . . . . . 7184 1 365 . 1 1 31 31 LEU CD2 C 13 19.90 . . 1 . . . . . . . . . 7184 1 366 . 1 1 31 31 LEU N N 15 118.388 . . 1 . . . . . . . . . 7184 1 367 . 1 1 32 32 GLU H H 1 7.842 . . 1 . . . . . . . . . 7184 1 368 . 1 1 32 32 GLU HA H 1 4.324 . . 1 . . . . . . . . . 7184 1 369 . 1 1 32 32 GLU HB2 H 1 2.155 . . 2 . . . . . . . . . 7184 1 370 . 1 1 32 32 GLU HB3 H 1 2.227 . . 2 . . . . . . . . . 7184 1 371 . 1 1 32 32 GLU HG2 H 1 2.388 . . 2 . . . . . . . . . 7184 1 372 . 1 1 32 32 GLU HG3 H 1 2.927 . . 2 . . . . . . . . . 7184 1 373 . 1 1 32 32 GLU C C 13 173.100 . . 1 . . . . . . . . . 7184 1 374 . 1 1 32 32 GLU CA C 13 54.138 . . 1 . . . . . . . . . 7184 1 375 . 1 1 32 32 GLU CB C 13 28.090 . . 1 . . . . . . . . . 7184 1 376 . 1 1 32 32 GLU CG C 13 35.573 . . 1 . . . . . . . . . 7184 1 377 . 1 1 32 32 GLU N N 15 120.483 . . 1 . . . . . . . . . 7184 1 378 . 1 1 33 33 ASP H H 1 8.872 . . 1 . . . . . . . . . 7184 1 379 . 1 1 33 33 ASP HA H 1 4.547 . . 1 . . . . . . . . . 7184 1 380 . 1 1 33 33 ASP HB2 H 1 2.630 . . 2 . . . . . . . . . 7184 1 381 . 1 1 33 33 ASP HB3 H 1 2.876 . . 2 . . . . . . . . . 7184 1 382 . 1 1 33 33 ASP C C 13 175.140 . . 1 . . . . . . . . . 7184 1 383 . 1 1 33 33 ASP CA C 13 52.730 . . 1 . . . . . . . . . 7184 1 384 . 1 1 33 33 ASP CB C 13 38.070 . . 1 . . . . . . . . . 7184 1 385 . 1 1 33 33 ASP N N 15 121.068 . . 1 . . . . . . . . . 7184 1 386 . 1 1 34 34 ASP H H 1 7.530 . . 1 . . . . . . . . . 7184 1 387 . 1 1 34 34 ASP HA H 1 4.765 . . 1 . . . . . . . . . 7184 1 388 . 1 1 34 34 ASP HB2 H 1 2.710 . . 2 . . . . . . . . . 7184 1 389 . 1 1 34 34 ASP HB3 H 1 3.135 . . 2 . . . . . . . . . 7184 1 390 . 1 1 34 34 ASP C C 13 174.230 . . 1 . . . . . . . . . 7184 1 391 . 1 1 34 34 ASP CA C 13 49.854 . . 1 . . . . . . . . . 7184 1 392 . 1 1 34 34 ASP CB C 13 39.500 . . 1 . . . . . . . . . 7184 1 393 . 1 1 34 34 ASP N N 15 117.335 . . 1 . . . . . . . . . 7184 1 394 . 1 1 35 35 GLU H H 1 8.250 . . 1 . . . . . . . . . 7184 1 395 . 1 1 35 35 GLU HA H 1 4.740 . . 1 . . . . . . . . . 7184 1 396 . 1 1 35 35 GLU HB2 H 1 2.067 . . 2 . . . . . . . . . 7184 1 397 . 1 1 35 35 GLU HB3 H 1 2.227 . . 2 . . . . . . . . . 7184 1 398 . 1 1 35 35 GLU HG2 H 1 2.190 . . 2 . . . . . . . . . 7184 1 399 . 1 1 35 35 GLU HG3 H 1 2.457 . . 2 . . . . . . . . . 7184 1 400 . 1 1 35 35 GLU C C 13 172.790 . . 1 . . . . . . . . . 7184 1 401 . 1 1 35 35 GLU CA C 13 53.920 . . 1 . . . . . . . . . 7184 1 402 . 1 1 35 35 GLU CB C 13 26.647 . . 1 . . . . . . . . . 7184 1 403 . 1 1 35 35 GLU CG C 13 36.287 . . 1 . . . . . . . . . 7184 1 404 . 1 1 35 35 GLU N N 15 117.401 . . 1 . . . . . . . . . 7184 1 405 . 1 1 36 36 SER H H 1 8.688 . . 1 . . . . . . . . . 7184 1 406 . 1 1 36 36 SER HA H 1 4.050 . . 1 . . . . . . . . . 7184 1 407 . 1 1 36 36 SER HB2 H 1 3.903 . . 2 . . . . . . . . . 7184 1 408 . 1 1 36 36 SER C C 13 175.360 . . 1 . . . . . . . . . 7184 1 409 . 1 1 36 36 SER CA C 13 59.800 . . 1 . . . . . . . . . 7184 1 410 . 1 1 36 36 SER CB C 13 60.100 . . 1 . . . . . . . . . 7184 1 411 . 1 1 36 36 SER N N 15 120.490 . . 1 . . . . . . . . . 7184 1 412 . 1 1 37 37 ASN H H 1 9.530 . . 1 . . . . . . . . . 7184 1 413 . 1 1 37 37 ASN HA H 1 5.062 . . 1 . . . . . . . . . 7184 1 414 . 1 1 37 37 ASN HB2 H 1 2.456 . . 2 . . . . . . . . . 7184 1 415 . 1 1 37 37 ASN HB3 H 1 2.886 . . 2 . . . . . . . . . 7184 1 416 . 1 1 37 37 ASN HD21 H 1 9.425 . . 2 . . . . . . . . . 7184 1 417 . 1 1 37 37 ASN HD22 H 1 6.800 . . 2 . . . . . . . . . 7184 1 418 . 1 1 37 37 ASN C C 13 176.300 . . 1 . . . . . . . . . 7184 1 419 . 1 1 37 37 ASN CA C 13 50.211 . . 1 . . . . . . . . . 7184 1 420 . 1 1 37 37 ASN CB C 13 36.287 . . 1 . . . . . . . . . 7184 1 421 . 1 1 37 37 ASN N N 15 119.395 . . 1 . . . . . . . . . 7184 1 422 . 1 1 37 37 ASN ND2 N 15 121.250 . . 1 . . . . . . . . . 7184 1 423 . 1 1 38 38 CYS H H 1 7.448 . . 1 . . . . . . . . . 7184 1 424 . 1 1 38 38 CYS HA H 1 4.470 . . 1 . . . . . . . . . 7184 1 425 . 1 1 38 38 CYS HB2 H 1 3.108 . . 2 . . . . . . . . . 7184 1 426 . 1 1 38 38 CYS HB3 H 1 3.304 . . 2 . . . . . . . . . 7184 1 427 . 1 1 38 38 CYS C C 13 174.830 . . 1 . . . . . . . . . 7184 1 428 . 1 1 38 38 CYS CA C 13 52.130 . . 1 . . . . . . . . . 7184 1 429 . 1 1 38 38 CYS CB C 13 43.784 . . 1 . . . . . . . . . 7184 1 430 . 1 1 38 38 CYS N N 15 116.297 . . 1 . . . . . . . . . 7184 1 431 . 1 1 39 39 THR H H 1 8.459 . . 1 . . . . . . . . . 7184 1 432 . 1 1 39 39 THR HA H 1 4.502 . . 1 . . . . . . . . . 7184 1 433 . 1 1 39 39 THR HB H 1 4.788 . . 1 . . . . . . . . . 7184 1 434 . 1 1 39 39 THR HG21 H 1 1.225 . . 1 . . . . . . . . . 7184 1 435 . 1 1 39 39 THR HG22 H 1 1.225 . . 1 . . . . . . . . . 7184 1 436 . 1 1 39 39 THR HG23 H 1 1.225 . . 1 . . . . . . . . . 7184 1 437 . 1 1 39 39 THR C C 13 175.650 . . 1 . . . . . . . . . 7184 1 438 . 1 1 39 39 THR CA C 13 57.870 . . 1 . . . . . . . . . 7184 1 439 . 1 1 39 39 THR CB C 13 67.350 . . 1 . . . . . . . . . 7184 1 440 . 1 1 39 39 THR CG2 C 13 19.10 . . 1 . . . . . . . . . 7184 1 441 . 1 1 39 39 THR N N 15 115.254 . . 1 . . . . . . . . . 7184 1 442 . 1 1 40 40 ALA H H 1 9.052 . . 1 . . . . . . . . . 7184 1 443 . 1 1 40 40 ALA HA H 1 4.123 . . 1 . . . . . . . . . 7184 1 444 . 1 1 40 40 ALA HB1 H 1 1.571 . . 1 . . . . . . . . . 7184 1 445 . 1 1 40 40 ALA HB2 H 1 1.571 . . 1 . . . . . . . . . 7184 1 446 . 1 1 40 40 ALA HB3 H 1 1.571 . . 1 . . . . . . . . . 7184 1 447 . 1 1 40 40 ALA C C 13 171.610 . . 1 . . . . . . . . . 7184 1 448 . 1 1 40 40 ALA CA C 13 53.830 . . 1 . . . . . . . . . 7184 1 449 . 1 1 40 40 ALA CB C 13 15.30 . . 1 . . . . . . . . . 7184 1 450 . 1 1 40 40 ALA N N 15 124.859 . . 1 . . . . . . . . . 7184 1 451 . 1 1 41 41 ASP H H 1 9.225 . . 1 . . . . . . . . . 7184 1 452 . 1 1 41 41 ASP HA H 1 4.740 . . 1 . . . . . . . . . 7184 1 453 . 1 1 41 41 ASP HB2 H 1 2.530 . . 2 . . . . . . . . . 7184 1 454 . 1 1 41 41 ASP HB3 H 1 2.940 . . 2 . . . . . . . . . 7184 1 455 . 1 1 41 41 ASP C C 13 171.380 . . 1 . . . . . . . . . 7184 1 456 . 1 1 41 41 ASP CA C 13 54.000 . . 1 . . . . . . . . . 7184 1 457 . 1 1 41 41 ASP CB C 13 36.287 . . 1 . . . . . . . . . 7184 1 458 . 1 1 41 41 ASP N N 15 118.128 . . 1 . . . . . . . . . 7184 1 459 . 1 1 42 42 GLY H H 1 8.336 . . 1 . . . . . . . . . 7184 1 460 . 1 1 42 42 GLY HA2 H 1 3.876 . . 2 . . . . . . . . . 7184 1 461 . 1 1 42 42 GLY HA3 H 1 4.142 . . 2 . . . . . . . . . 7184 1 462 . 1 1 42 42 GLY C C 13 175.430 . . 1 . . . . . . . . . 7184 1 463 . 1 1 42 42 GLY CA C 13 44.855 . . 1 . . . . . . . . . 7184 1 464 . 1 1 42 42 GLY N N 15 112.273 . . 1 . . . . . . . . . 7184 1 465 . 1 1 43 43 LYS H H 1 8.656 . . 1 . . . . . . . . . 7184 1 466 . 1 1 43 43 LYS HA H 1 3.941 . . 1 . . . . . . . . . 7184 1 467 . 1 1 43 43 LYS HB2 H 1 1.994 . . 2 . . . . . . . . . 7184 1 468 . 1 1 43 43 LYS HG2 H 1 1.642 . . 2 . . . . . . . . . 7184 1 469 . 1 1 43 43 LYS HG3 H 1 1.744 . . 2 . . . . . . . . . 7184 1 470 . 1 1 43 43 LYS HD2 H 1 1.402 . . 2 . . . . . . . . . 7184 1 471 . 1 1 43 43 LYS HE2 H 1 2.982 . . 2 . . . . . . . . . 7184 1 472 . 1 1 43 43 LYS C C 13 171.740 . . 1 . . . . . . . . . 7184 1 473 . 1 1 43 43 LYS CA C 13 57.709 . . 1 . . . . . . . . . 7184 1 474 . 1 1 43 43 LYS CB C 13 29.860 . . 1 . . . . . . . . . 7184 1 475 . 1 1 43 43 LYS CG C 13 26.647 . . 1 . . . . . . . . . 7184 1 476 . 1 1 43 43 LYS CD C 13 22.30 . . 1 . . . . . . . . . 7184 1 477 . 1 1 43 43 LYS CE C 13 39.160 . . 1 . . . . . . . . . 7184 1 478 . 1 1 43 43 LYS N N 15 122.240 . . 1 . . . . . . . . . 7184 1 479 . 1 1 44 44 GLU H H 1 7.519 . . 1 . . . . . . . . . 7184 1 480 . 1 1 44 44 GLU HA H 1 4.125 . . 1 . . . . . . . . . 7184 1 481 . 1 1 44 44 GLU HB2 H 1 2.158 . . 2 . . . . . . . . . 7184 1 482 . 1 1 44 44 GLU HB3 H 1 2.239 . . 2 . . . . . . . . . 7184 1 483 . 1 1 44 44 GLU HG2 H 1 2.440 . . 2 . . . . . . . . . 7184 1 484 . 1 1 44 44 GLU C C 13 171.720 . . 1 . . . . . . . . . 7184 1 485 . 1 1 44 44 GLU CA C 13 56.500 . . 1 . . . . . . . . . 7184 1 486 . 1 1 44 44 GLU CB C 13 27.004 . . 1 . . . . . . . . . 7184 1 487 . 1 1 44 44 GLU CG C 13 34.145 . . 1 . . . . . . . . . 7184 1 488 . 1 1 44 44 GLU N N 15 120.516 . . 1 . . . . . . . . . 7184 1 489 . 1 1 45 45 LEU H H 1 7.979 . . 1 . . . . . . . . . 7184 1 490 . 1 1 45 45 LEU HA H 1 4.072 . . 1 . . . . . . . . . 7184 1 491 . 1 1 45 45 LEU HB2 H 1 1.826 . . 2 . . . . . . . . . 7184 1 492 . 1 1 45 45 LEU HB3 H 1 1.985 . . 2 . . . . . . . . . 7184 1 493 . 1 1 45 45 LEU HG H 1 1.666 . . 1 . . . . . . . . . 7184 1 494 . 1 1 45 45 LEU HD11 H 1 0.837 . . 2 . . . . . . . . . 7184 1 495 . 1 1 45 45 LEU HD12 H 1 0.837 . . 2 . . . . . . . . . 7184 1 496 . 1 1 45 45 LEU HD13 H 1 0.837 . . 2 . . . . . . . . . 7184 1 497 . 1 1 45 45 LEU HD21 H 1 0.870 . . 2 . . . . . . . . . 7184 1 498 . 1 1 45 45 LEU HD22 H 1 0.870 . . 2 . . . . . . . . . 7184 1 499 . 1 1 45 45 LEU HD23 H 1 0.870 . . 2 . . . . . . . . . 7184 1 500 . 1 1 45 45 LEU C C 13 173.200 . . 1 . . . . . . . . . 7184 1 501 . 1 1 45 45 LEU CA C 13 55.209 . . 1 . . . . . . . . . 7184 1 502 . 1 1 45 45 LEU CB C 13 39.143 . . 1 . . . . . . . . . 7184 1 503 . 1 1 45 45 LEU CG C 13 26.647 . . 1 . . . . . . . . . 7184 1 504 . 1 1 45 45 LEU CD1 C 13 22.30 . . 1 . . . . . . . . . 7184 1 505 . 1 1 45 45 LEU CD2 C 13 21.10 . . 1 . . . . . . . . . 7184 1 506 . 1 1 45 45 LEU N N 15 121.830 . . 1 . . . . . . . . . 7184 1 507 . 1 1 46 46 LYS H H 1 8.449 . . 1 . . . . . . . . . 7184 1 508 . 1 1 46 46 LYS HA H 1 3.675 . . 1 . . . . . . . . . 7184 1 509 . 1 1 46 46 LYS HB2 H 1 1.930 . . 2 . . . . . . . . . 7184 1 510 . 1 1 46 46 LYS HB3 H 1 2.074 . . 2 . . . . . . . . . 7184 1 511 . 1 1 46 46 LYS HG2 H 1 1.558 . . 2 . . . . . . . . . 7184 1 512 . 1 1 46 46 LYS HG3 H 1 1.536 . . 2 . . . . . . . . . 7184 1 513 . 1 1 46 46 LYS HD2 H 1 1.748 . . 2 . . . . . . . . . 7184 1 514 . 1 1 46 46 LYS HE2 H 1 3.020 . . 2 . . . . . . . . . 7184 1 515 . 1 1 46 46 LYS C C 13 171.660 . . 1 . . . . . . . . . 7184 1 516 . 1 1 46 46 LYS CA C 13 57.709 . . 1 . . . . . . . . . 7184 1 517 . 1 1 46 46 LYS CB C 13 32.300 . . 1 . . . . . . . . . 7184 1 518 . 1 1 46 46 LYS CG C 13 23.077 . . 1 . . . . . . . . . 7184 1 519 . 1 1 46 46 LYS CD C 13 26.647 . . 1 . . . . . . . . . 7184 1 520 . 1 1 46 46 LYS CE C 13 39.143 . . 1 . . . . . . . . . 7184 1 521 . 1 1 46 46 LYS N N 15 118.931 . . 1 . . . . . . . . . 7184 1 522 . 1 1 47 47 SER H H 1 7.840 . . 1 . . . . . . . . . 7184 1 523 . 1 1 47 47 SER HA H 1 4.320 . . 1 . . . . . . . . . 7184 1 524 . 1 1 47 47 SER HB2 H 1 4.120 . . 2 . . . . . . . . . 7184 1 525 . 1 1 47 47 SER C C 13 171.950 . . 1 . . . . . . . . . 7184 1 526 . 1 1 47 47 SER CA C 13 58.423 . . 1 . . . . . . . . . 7184 1 527 . 1 1 47 47 SER CB C 13 60.670 . . 1 . . . . . . . . . 7184 1 528 . 1 1 47 47 SER N N 15 111.444 . . 1 . . . . . . . . . 7184 1 529 . 1 1 48 48 VAL H H 1 7.418 . . 1 . . . . . . . . . 7184 1 530 . 1 1 48 48 VAL HA H 1 4.937 . . 1 . . . . . . . . . 7184 1 531 . 1 1 48 48 VAL HB H 1 2.666 . . 1 . . . . . . . . . 7184 1 532 . 1 1 48 48 VAL HG11 H 1 0.940 . . 1 . . . . . . . . . 7184 1 533 . 1 1 48 48 VAL HG12 H 1 0.940 . . 1 . . . . . . . . . 7184 1 534 . 1 1 48 48 VAL HG13 H 1 0.940 . . 1 . . . . . . . . . 7184 1 535 . 1 1 48 48 VAL HG21 H 1 0.970 . . 1 . . . . . . . . . 7184 1 536 . 1 1 48 48 VAL HG22 H 1 0.970 . . 1 . . . . . . . . . 7184 1 537 . 1 1 48 48 VAL HG23 H 1 0.970 . . 1 . . . . . . . . . 7184 1 538 . 1 1 48 48 VAL C C 13 171.980 . . 1 . . . . . . . . . 7184 1 539 . 1 1 48 48 VAL CA C 13 58.423 . . 1 . . . . . . . . . 7184 1 540 . 1 1 48 48 VAL CB C 13 29.500 . . 1 . . . . . . . . . 7184 1 541 . 1 1 48 48 VAL CG1 C 13 19.00 . . 1 . . . . . . . . . 7184 1 542 . 1 1 48 48 VAL CG2 C 13 17.20 . . 1 . . . . . . . . . 7184 1 543 . 1 1 48 48 VAL N N 15 111.711 . . 1 . . . . . . . . . 7184 1 544 . 1 1 49 49 ILE H H 1 7.447 . . 1 . . . . . . . . . 7184 1 545 . 1 1 49 49 ILE HA H 1 3.816 . . 1 . . . . . . . . . 7184 1 546 . 1 1 49 49 ILE HB H 1 1.779 . . 1 . . . . . . . . . 7184 1 547 . 1 1 49 49 ILE HG12 H 1 1.707 . . 2 . . . . . . . . . 7184 1 548 . 1 1 49 49 ILE HG13 H 1 1.276 . . 4 . . . . . . . . . 7184 1 549 . 1 1 49 49 ILE HG21 H 1 0.250 . . 1 . . . . . . . . . 7184 1 550 . 1 1 49 49 ILE HG22 H 1 0.250 . . 1 . . . . . . . . . 7184 1 551 . 1 1 49 49 ILE HG23 H 1 0.250 . . 1 . . . . . . . . . 7184 1 552 . 1 1 49 49 ILE HD11 H 1 0.570 . . 1 . . . . . . . . . 7184 1 553 . 1 1 49 49 ILE HD12 H 1 0.570 . . 1 . . . . . . . . . 7184 1 554 . 1 1 49 49 ILE HD13 H 1 0.570 . . 1 . . . . . . . . . 7184 1 555 . 1 1 49 49 ILE CA C 13 61.636 . . 1 . . . . . . . . . 7184 1 556 . 1 1 49 49 ILE CB C 13 30.87 . . 1 . . . . . . . . . 7184 1 557 . 1 1 49 49 ILE CG1 C 13 24.862 . . 2 . . . . . . . . . 7184 1 558 . 1 1 49 49 ILE CG2 C 13 15.40 . . 1 . . . . . . . . . 7184 1 559 . 1 1 49 49 ILE CD1 C 13 13.90 . . 1 . . . . . . . . . 7184 1 560 . 1 1 49 49 ILE N N 15 123.637 . . 1 . . . . . . . . . 7184 1 561 . 1 1 50 50 PRO HA H 1 4.169 . . 1 . . . . . . . . . 7184 1 562 . 1 1 50 50 PRO HB2 H 1 2.030 . . 2 . . . . . . . . . 7184 1 563 . 1 1 50 50 PRO HB3 H 1 2.570 . . 2 . . . . . . . . . 7184 1 564 . 1 1 50 50 PRO HG2 H 1 2.150 . . 2 . . . . . . . . . 7184 1 565 . 1 1 50 50 PRO HG3 H 1 2.390 . . 2 . . . . . . . . . 7184 1 566 . 1 1 50 50 PRO HD2 H 1 3.640 . . 2 . . . . . . . . . 7184 1 567 . 1 1 50 50 PRO C C 13 171.380 . . 1 . . . . . . . . . 7184 1 568 . 1 1 50 50 PRO CA C 13 63.778 . . 1 . . . . . . . . . 7184 1 569 . 1 1 50 50 PRO CB C 13 28.160 . . 1 . . . . . . . . . 7184 1 570 . 1 1 50 50 PRO CG C 13 26.647 . . 1 . . . . . . . . . 7184 1 571 . 1 1 50 50 PRO CD C 13 47.355 . . 1 . . . . . . . . . 7184 1 572 . 1 1 51 51 ASP H H 1 7.356 . . 1 . . . . . . . . . 7184 1 573 . 1 1 51 51 ASP HA H 1 4.407 . . 1 . . . . . . . . . 7184 1 574 . 1 1 51 51 ASP HB2 H 1 2.710 . . 2 . . . . . . . . . 7184 1 575 . 1 1 51 51 ASP HB3 H 1 2.770 . . 2 . . . . . . . . . 7184 1 576 . 1 1 51 51 ASP C C 13 170.930 . . 1 . . . . . . . . . 7184 1 577 . 1 1 51 51 ASP CA C 13 53.950 . . 1 . . . . . . . . . 7184 1 578 . 1 1 51 51 ASP CB C 13 39.857 . . 1 . . . . . . . . . 7184 1 579 . 1 1 51 51 ASP N N 15 118.712 . . 1 . . . . . . . . . 7184 1 580 . 1 1 52 52 ALA H H 1 8.821 . . 1 . . . . . . . . . 7184 1 581 . 1 1 52 52 ALA HA H 1 4.034 . . 1 . . . . . . . . . 7184 1 582 . 1 1 52 52 ALA HB1 H 1 1.470 . . 1 . . . . . . . . . 7184 1 583 . 1 1 52 52 ALA HB2 H 1 1.470 . . 1 . . . . . . . . . 7184 1 584 . 1 1 52 52 ALA HB3 H 1 1.470 . . 1 . . . . . . . . . 7184 1 585 . 1 1 52 52 ALA C C 13 171.380 . . 1 . . . . . . . . . 7184 1 586 . 1 1 52 52 ALA CA C 13 53.067 . . 1 . . . . . . . . . 7184 1 587 . 1 1 52 52 ALA CB C 13 15.20 . . 1 . . . . . . . . . 7184 1 588 . 1 1 52 52 ALA N N 15 125.666 . . 1 . . . . . . . . . 7184 1 589 . 1 1 53 53 LEU H H 1 7.806 . . 1 . . . . . . . . . 7184 1 590 . 1 1 53 53 LEU HA H 1 4.059 . . 1 . . . . . . . . . 7184 1 591 . 1 1 53 53 LEU HB2 H 1 1.220 . . 2 . . . . . . . . . 7184 1 592 . 1 1 53 53 LEU HB3 H 1 1.860 . . 2 . . . . . . . . . 7184 1 593 . 1 1 53 53 LEU HG H 1 1.680 . . 1 . . . . . . . . . 7184 1 594 . 1 1 53 53 LEU HD11 H 1 0.580 . . 2 . . . . . . . . . 7184 1 595 . 1 1 53 53 LEU HD12 H 1 0.580 . . 2 . . . . . . . . . 7184 1 596 . 1 1 53 53 LEU HD13 H 1 0.580 . . 2 . . . . . . . . . 7184 1 597 . 1 1 53 53 LEU HD21 H 1 0.826 . . 2 . . . . . . . . . 7184 1 598 . 1 1 53 53 LEU HD22 H 1 0.826 . . 2 . . . . . . . . . 7184 1 599 . 1 1 53 53 LEU HD23 H 1 0.826 . . 2 . . . . . . . . . 7184 1 600 . 1 1 53 53 LEU C C 13 173.270 . . 1 . . . . . . . . . 7184 1 601 . 1 1 53 53 LEU CA C 13 54.138 . . 1 . . . . . . . . . 7184 1 602 . 1 1 53 53 LEU CB C 13 39.600 . . 1 . . . . . . . . . 7184 1 603 . 1 1 53 53 LEU CG C 13 23.434 . . 1 . . . . . . . . . 7184 1 604 . 1 1 53 53 LEU CD1 C 13 20.60 . . 1 . . . . . . . . . 7184 1 605 . 1 1 53 53 LEU CD2 C 13 19.80 . . 1 . . . . . . . . . 7184 1 606 . 1 1 53 53 LEU N N 15 114.857 . . 1 . . . . . . . . . 7184 1 607 . 1 1 54 54 SER H H 1 8.067 . . 1 . . . . . . . . . 7184 1 608 . 1 1 54 54 SER HA H 1 3.776 . . 1 . . . . . . . . . 7184 1 609 . 1 1 54 54 SER HB2 H 1 3.260 . . 2 . . . . . . . . . 7184 1 610 . 1 1 54 54 SER HB3 H 1 3.460 . . 2 . . . . . . . . . 7184 1 611 . 1 1 54 54 SER C C 13 174.560 . . 1 . . . . . . . . . 7184 1 612 . 1 1 54 54 SER CA C 13 56.995 . . 1 . . . . . . . . . 7184 1 613 . 1 1 54 54 SER CB C 13 61.280 . . 1 . . . . . . . . . 7184 1 614 . 1 1 54 54 SER N N 15 111.756 . . 1 . . . . . . . . . 7184 1 615 . 1 1 55 55 ASN H H 1 8.340 . . 1 . . . . . . . . . 7184 1 616 . 1 1 55 55 ASN HA H 1 5.137 . . 1 . . . . . . . . . 7184 1 617 . 1 1 55 55 ASN HB2 H 1 2.862 . . 2 . . . . . . . . . 7184 1 618 . 1 1 55 55 ASN HB3 H 1 2.976 . . 2 . . . . . . . . . 7184 1 619 . 1 1 55 55 ASN HD21 H 1 7.877 . . 2 . . . . . . . . . 7184 1 620 . 1 1 55 55 ASN HD22 H 1 7.168 . . 2 . . . . . . . . . 7184 1 621 . 1 1 55 55 ASN C C 13 174.450 . . 1 . . . . . . . . . 7184 1 622 . 1 1 55 55 ASN CA C 13 49.854 . . 1 . . . . . . . . . 7184 1 623 . 1 1 55 55 ASN CB C 13 36.400 . . 1 . . . . . . . . . 7184 1 624 . 1 1 55 55 ASN N N 15 119.809 . . 1 . . . . . . . . . 7184 1 625 . 1 1 55 55 ASN ND2 N 15 116.236 . . 1 . . . . . . . . . 7184 1 626 . 1 1 56 56 GLU H H 1 8.128 . . 1 . . . . . . . . . 7184 1 627 . 1 1 56 56 GLU HA H 1 4.170 . . 1 . . . . . . . . . 7184 1 628 . 1 1 56 56 GLU HB2 H 1 2.160 . . 2 . . . . . . . . . 7184 1 629 . 1 1 56 56 GLU HB3 H 1 2.330 . . 2 . . . . . . . . . 7184 1 630 . 1 1 56 56 GLU HG2 H 1 2.268 . . 2 . . . . . . . . . 7184 1 631 . 1 1 56 56 GLU C C 13 174.720 . . 1 . . . . . . . . . 7184 1 632 . 1 1 56 56 GLU CA C 13 54.852 . . 1 . . . . . . . . . 7184 1 633 . 1 1 56 56 GLU CB C 13 24.562 . . 1 . . . . . . . . . 7184 1 634 . 1 1 56 56 GLU CG C 13 34.502 . . 1 . . . . . . . . . 7184 1 635 . 1 1 56 56 GLU N N 15 116.171 . . 1 . . . . . . . . . 7184 1 636 . 1 1 57 57 CYS H H 1 8.770 . . 1 . . . . . . . . . 7184 1 637 . 1 1 57 57 CYS HA H 1 4.100 . . 1 . . . . . . . . . 7184 1 638 . 1 1 57 57 CYS HB2 H 1 2.620 . . 2 . . . . . . . . . 7184 1 639 . 1 1 57 57 CYS C C 13 173.970 . . 1 . . . . . . . . . 7184 1 640 . 1 1 57 57 CYS CA C 13 55.566 . . 1 . . . . . . . . . 7184 1 641 . 1 1 57 57 CYS CB C 13 32.360 . . 1 . . . . . . . . . 7184 1 642 . 1 1 57 57 CYS N N 15 120.533 . . 1 . . . . . . . . . 7184 1 643 . 1 1 58 58 ALA H H 1 7.803 . . 1 . . . . . . . . . 7184 1 644 . 1 1 58 58 ALA HA H 1 4.042 . . 1 . . . . . . . . . 7184 1 645 . 1 1 58 58 ALA HB1 H 1 1.510 . . 1 . . . . . . . . . 7184 1 646 . 1 1 58 58 ALA HB2 H 1 1.510 . . 1 . . . . . . . . . 7184 1 647 . 1 1 58 58 ALA HB3 H 1 1.510 . . 1 . . . . . . . . . 7184 1 648 . 1 1 58 58 ALA C C 13 170.600 . . 1 . . . . . . . . . 7184 1 649 . 1 1 58 58 ALA CA C 13 52.730 . . 1 . . . . . . . . . 7184 1 650 . 1 1 58 58 ALA CB C 13 15.90 . . 1 . . . . . . . . . 7184 1 651 . 1 1 58 58 ALA N N 15 122.185 . . 1 . . . . . . . . . 7184 1 652 . 1 1 59 59 LYS H H 1 9.346 . . 1 . . . . . . . . . 7184 1 653 . 1 1 59 59 LYS HA H 1 4.499 . . 1 . . . . . . . . . 7184 1 654 . 1 1 59 59 LYS HB2 H 1 1.680 . . 2 . . . . . . . . . 7184 1 655 . 1 1 59 59 LYS HB3 H 1 2.022 . . 2 . . . . . . . . . 7184 1 656 . 1 1 59 59 LYS HG2 H 1 1.409 . . 2 . . . . . . . . . 7184 1 657 . 1 1 59 59 LYS HD2 H 1 1.700 . . 2 . . . . . . . . . 7184 1 658 . 1 1 59 59 LYS HE2 H 1 3.005 . . 2 . . . . . . . . . 7184 1 659 . 1 1 59 59 LYS C C 13 174.500 . . 1 . . . . . . . . . 7184 1 660 . 1 1 59 59 LYS CA C 13 52.400 . . 1 . . . . . . . . . 7184 1 661 . 1 1 59 59 LYS CB C 13 28.800 . . 1 . . . . . . . . . 7184 1 662 . 1 1 59 59 LYS CG C 13 22.30 . . 1 . . . . . . . . . 7184 1 663 . 1 1 59 59 LYS CD C 13 26.329 . . 1 . . . . . . . . . 7184 1 664 . 1 1 59 59 LYS CE C 13 39.143 . . 1 . . . . . . . . . 7184 1 665 . 1 1 59 59 LYS N N 15 115.934 . . 1 . . . . . . . . . 7184 1 666 . 1 1 60 60 CYS H H 1 7.610 . . 1 . . . . . . . . . 7184 1 667 . 1 1 60 60 CYS HA H 1 4.370 . . 1 . . . . . . . . . 7184 1 668 . 1 1 60 60 CYS HB2 H 1 3.580 . . 2 . . . . . . . . . 7184 1 669 . 1 1 60 60 CYS HB3 H 1 3.298 . . 2 . . . . . . . . . 7184 1 670 . 1 1 60 60 CYS C C 13 176.610 . . 1 . . . . . . . . . 7184 1 671 . 1 1 60 60 CYS CA C 13 51.000 . . 1 . . . . . . . . . 7184 1 672 . 1 1 60 60 CYS CB C 13 37.700 . . 1 . . . . . . . . . 7184 1 673 . 1 1 60 60 CYS N N 15 120.001 . . 1 . . . . . . . . . 7184 1 674 . 1 1 61 61 ASN H H 1 8.540 . . 1 . . . . . . . . . 7184 1 675 . 1 1 61 61 ASN HA H 1 4.790 . . 1 . . . . . . . . . 7184 1 676 . 1 1 61 61 ASN HB2 H 1 2.970 . . 2 . . . . . . . . . 7184 1 677 . 1 1 61 61 ASN HB3 H 1 3.380 . . 2 . . . . . . . . . 7184 1 678 . 1 1 61 61 ASN HD21 H 1 7.482 . . 2 . . . . . . . . . 7184 1 679 . 1 1 61 61 ASN HD22 H 1 7.092 . . 2 . . . . . . . . . 7184 1 680 . 1 1 61 61 ASN C C 13 175.560 . . 1 . . . . . . . . . 7184 1 681 . 1 1 61 61 ASN CA C 13 49.200 . . 1 . . . . . . . . . 7184 1 682 . 1 1 61 61 ASN CB C 13 35.573 . . 1 . . . . . . . . . 7184 1 683 . 1 1 61 61 ASN N N 15 120.001 . . 1 . . . . . . . . . 7184 1 684 . 1 1 61 61 ASN ND2 N 15 112.230 . . 1 . . . . . . . . . 7184 1 685 . 1 1 62 62 GLU H H 1 8.675 . . 1 . . . . . . . . . 7184 1 686 . 1 1 62 62 GLU HA H 1 3.959 . . 1 . . . . . . . . . 7184 1 687 . 1 1 62 62 GLU HB2 H 1 2.060 . . 2 . . . . . . . . . 7184 1 688 . 1 1 62 62 GLU HG2 H 1 2.320 . . 2 . . . . . . . . . 7184 1 689 . 1 1 62 62 GLU HG3 H 1 2.390 . . 2 . . . . . . . . . 7184 1 690 . 1 1 62 62 GLU C C 13 172.290 . . 1 . . . . . . . . . 7184 1 691 . 1 1 62 62 GLU CA C 13 57.709 . . 1 . . . . . . . . . 7184 1 692 . 1 1 62 62 GLU CB C 13 26.700 . . 1 . . . . . . . . . 7184 1 693 . 1 1 62 62 GLU CG C 13 33.700 . . 1 . . . . . . . . . 7184 1 694 . 1 1 62 62 GLU N N 15 119.060 . . 1 . . . . . . . . . 7184 1 695 . 1 1 63 63 LYS H H 1 8.145 . . 1 . . . . . . . . . 7184 1 696 . 1 1 63 63 LYS HA H 1 4.125 . . 1 . . . . . . . . . 7184 1 697 . 1 1 63 63 LYS HB2 H 1 1.860 . . 2 . . . . . . . . . 7184 1 698 . 1 1 63 63 LYS HB3 H 1 1.960 . . 2 . . . . . . . . . 7184 1 699 . 1 1 63 63 LYS HG2 H 1 1.450 . . 2 . . . . . . . . . 7184 1 700 . 1 1 63 63 LYS HG3 H 1 1.260 . . 2 . . . . . . . . . 7184 1 701 . 1 1 63 63 LYS HD2 H 1 1.690 . . 2 . . . . . . . . . 7184 1 702 . 1 1 63 63 LYS HE2 H 1 2.710 . . 2 . . . . . . . . . 7184 1 703 . 1 1 63 63 LYS HE3 H 1 2.790 . . 2 . . . . . . . . . 7184 1 704 . 1 1 63 63 LYS C C 13 170.310 . . 1 . . . . . . . . . 7184 1 705 . 1 1 63 63 LYS CA C 13 56.995 . . 1 . . . . . . . . . 7184 1 706 . 1 1 63 63 LYS CB C 13 29.860 . . 1 . . . . . . . . . 7184 1 707 . 1 1 63 63 LYS CG C 13 22.40 . . 1 . . . . . . . . . 7184 1 708 . 1 1 63 63 LYS CD C 13 27.200 . . 1 . . . . . . . . . 7184 1 709 . 1 1 63 63 LYS CE C 13 39.270 . . 1 . . . . . . . . . 7184 1 710 . 1 1 63 63 LYS N N 15 121.474 . . 1 . . . . . . . . . 7184 1 711 . 1 1 64 64 GLN H H 1 8.697 . . 1 . . . . . . . . . 7184 1 712 . 1 1 64 64 GLN HA H 1 4.240 . . 1 . . . . . . . . . 7184 1 713 . 1 1 64 64 GLN HB2 H 1 2.140 . . 2 . . . . . . . . . 7184 1 714 . 1 1 64 64 GLN HB3 H 1 2.387 . . 2 . . . . . . . . . 7184 1 715 . 1 1 64 64 GLN HG2 H 1 2.490 . . 2 . . . . . . . . . 7184 1 716 . 1 1 64 64 GLN HG3 H 1 2.680 . . 2 . . . . . . . . . 7184 1 717 . 1 1 64 64 GLN HE21 H 1 7.960 . . 2 . . . . . . . . . 7184 1 718 . 1 1 64 64 GLN HE22 H 1 6.560 . . 2 . . . . . . . . . 7184 1 719 . 1 1 64 64 GLN C C 13 171.520 . . 1 . . . . . . . . . 7184 1 720 . 1 1 64 64 GLN CA C 13 55.106 . . 1 . . . . . . . . . 7184 1 721 . 1 1 64 64 GLN CB C 13 25.633 . . 1 . . . . . . . . . 7184 1 722 . 1 1 64 64 GLN CG C 13 30.574 . . 1 . . . . . . . . . 7184 1 723 . 1 1 64 64 GLN N N 15 120.071 . . 1 . . . . . . . . . 7184 1 724 . 1 1 64 64 GLN NE2 N 15 112.240 . . 1 . . . . . . . . . 7184 1 725 . 1 1 65 65 LYS H H 1 9.068 . . 1 . . . . . . . . . 7184 1 726 . 1 1 65 65 LYS HA H 1 3.930 . . 1 . . . . . . . . . 7184 1 727 . 1 1 65 65 LYS HB2 H 1 1.956 . . 2 . . . . . . . . . 7184 1 728 . 1 1 65 65 LYS HG2 H 1 1.490 . . 2 . . . . . . . . . 7184 1 729 . 1 1 65 65 LYS HG3 H 1 1.630 . . 2 . . . . . . . . . 7184 1 730 . 1 1 65 65 LYS HD2 H 1 1.730 . . 2 . . . . . . . . . 7184 1 731 . 1 1 65 65 LYS HD3 H 1 1.760 . . 2 . . . . . . . . . 7184 1 732 . 1 1 65 65 LYS HE2 H 1 3.078 . . 2 . . . . . . . . . 7184 1 733 . 1 1 65 65 LYS C C 13 172.520 . . 1 . . . . . . . . . 7184 1 734 . 1 1 65 65 LYS CA C 13 58.164 . . 1 . . . . . . . . . 7184 1 735 . 1 1 65 65 LYS CB C 13 30.574 . . 1 . . . . . . . . . 7184 1 736 . 1 1 65 65 LYS CG C 13 23.434 . . 1 . . . . . . . . . 7184 1 737 . 1 1 65 65 LYS CD C 13 26.647 . . 1 . . . . . . . . . 7184 1 738 . 1 1 65 65 LYS CE C 13 39.500 . . 1 . . . . . . . . . 7184 1 739 . 1 1 65 65 LYS N N 15 123.543 . . 1 . . . . . . . . . 7184 1 740 . 1 1 66 66 GLU H H 1 7.942 . . 1 . . . . . . . . . 7184 1 741 . 1 1 66 66 GLU HA H 1 4.140 . . 1 . . . . . . . . . 7184 1 742 . 1 1 66 66 GLU HB2 H 1 2.060 . . 2 . . . . . . . . . 7184 1 743 . 1 1 66 66 GLU HG2 H 1 2.290 . . 2 . . . . . . . . . 7184 1 744 . 1 1 66 66 GLU HG3 H 1 2.360 . . 2 . . . . . . . . . 7184 1 745 . 1 1 66 66 GLU C C 13 171.620 . . 1 . . . . . . . . . 7184 1 746 . 1 1 66 66 GLU CA C 13 55.923 . . 1 . . . . . . . . . 7184 1 747 . 1 1 66 66 GLU CB C 13 27.361 . . 1 . . . . . . . . . 7184 1 748 . 1 1 66 66 GLU CG C 13 33.073 . . 1 . . . . . . . . . 7184 1 749 . 1 1 66 66 GLU N N 15 117.712 . . 1 . . . . . . . . . 7184 1 750 . 1 1 67 67 GLY H H 1 8.549 . . 1 . . . . . . . . . 7184 1 751 . 1 1 67 67 GLY HA2 H 1 3.999 . . 2 . . . . . . . . . 7184 1 752 . 1 1 67 67 GLY HA3 H 1 3.633 . . 2 . . . . . . . . . 7184 1 753 . 1 1 67 67 GLY C C 13 171.350 . . 1 . . . . . . . . . 7184 1 754 . 1 1 67 67 GLY CA C 13 44.500 . . 1 . . . . . . . . . 7184 1 755 . 1 1 67 67 GLY N N 15 106.383 . . 1 . . . . . . . . . 7184 1 756 . 1 1 68 68 THR H H 1 8.337 . . 1 . . . . . . . . . 7184 1 757 . 1 1 68 68 THR HA H 1 3.653 . . 1 . . . . . . . . . 7184 1 758 . 1 1 68 68 THR HB H 1 3.753 . . 1 . . . . . . . . . 7184 1 759 . 1 1 68 68 THR HG21 H 1 1.320 . . 1 . . . . . . . . . 7184 1 760 . 1 1 68 68 THR HG22 H 1 1.320 . . 1 . . . . . . . . . 7184 1 761 . 1 1 68 68 THR HG23 H 1 1.320 . . 1 . . . . . . . . . 7184 1 762 . 1 1 68 68 THR C C 13 174.460 . . 1 . . . . . . . . . 7184 1 763 . 1 1 68 68 THR CA C 13 63.310 . . 1 . . . . . . . . . 7184 1 764 . 1 1 68 68 THR CB C 13 65.900 . . 1 . . . . . . . . . 7184 1 765 . 1 1 68 68 THR CG2 C 13 21.40 . . 1 . . . . . . . . . 7184 1 766 . 1 1 68 68 THR N N 15 111.480 . . 1 . . . . . . . . . 7184 1 767 . 1 1 69 69 LYS H H 1 7.366 . . 1 . . . . . . . . . 7184 1 768 . 1 1 69 69 LYS HA H 1 4.060 . . 1 . . . . . . . . . 7184 1 769 . 1 1 69 69 LYS HB2 H 1 2.052 . . 2 . . . . . . . . . 7184 1 770 . 1 1 69 69 LYS HG2 H 1 1.460 . . 2 . . . . . . . . . 7184 1 771 . 1 1 69 69 LYS HG3 H 1 1.570 . . 2 . . . . . . . . . 7184 1 772 . 1 1 69 69 LYS HD2 H 1 1.750 . . 2 . . . . . . . . . 7184 1 773 . 1 1 69 69 LYS HE2 H 1 2.970 . . 2 . . . . . . . . . 7184 1 774 . 1 1 69 69 LYS C C 13 173.010 . . 1 . . . . . . . . . 7184 1 775 . 1 1 69 69 LYS CA C 13 56.995 . . 1 . . . . . . . . . 7184 1 776 . 1 1 69 69 LYS CB C 13 29.146 . . 1 . . . . . . . . . 7184 1 777 . 1 1 69 69 LYS CG C 13 22.20 . . 1 . . . . . . . . . 7184 1 778 . 1 1 69 69 LYS CD C 13 30.217 . . 1 . . . . . . . . . 7184 1 779 . 1 1 69 69 LYS CE C 13 39.143 . . 1 . . . . . . . . . 7184 1 780 . 1 1 69 69 LYS N N 15 121.391 . . 1 . . . . . . . . . 7184 1 781 . 1 1 70 70 LYS H H 1 7.975 . . 1 . . . . . . . . . 7184 1 782 . 1 1 70 70 LYS HA H 1 4.008 . . 1 . . . . . . . . . 7184 1 783 . 1 1 70 70 LYS HB2 H 1 1.944 . . 2 . . . . . . . . . 7184 1 784 . 1 1 70 70 LYS HG2 H 1 1.435 . . 2 . . . . . . . . . 7184 1 785 . 1 1 70 70 LYS HG3 H 1 1.720 . . 2 . . . . . . . . . 7184 1 786 . 1 1 70 70 LYS HD2 H 1 1.650 . . 2 . . . . . . . . . 7184 1 787 . 1 1 70 70 LYS HE2 H 1 2.944 . . 2 . . . . . . . . . 7184 1 788 . 1 1 70 70 LYS C C 13 173.190 . . 1 . . . . . . . . . 7184 1 789 . 1 1 70 70 LYS CA C 13 57.709 . . 1 . . . . . . . . . 7184 1 790 . 1 1 70 70 LYS CB C 13 30.574 . . 1 . . . . . . . . . 7184 1 791 . 1 1 70 70 LYS CG C 13 23.434 . . 1 . . . . . . . . . 7184 1 792 . 1 1 70 70 LYS CD C 13 27.004 . . 1 . . . . . . . . . 7184 1 793 . 1 1 70 70 LYS CE C 13 39.143 . . 1 . . . . . . . . . 7184 1 794 . 1 1 70 70 LYS N N 15 117.163 . . 1 . . . . . . . . . 7184 1 795 . 1 1 71 71 VAL H H 1 8.480 . . 1 . . . . . . . . . 7184 1 796 . 1 1 71 71 VAL HA H 1 3.607 . . 1 . . . . . . . . . 7184 1 797 . 1 1 71 71 VAL HB H 1 2.064 . . 1 . . . . . . . . . 7184 1 798 . 1 1 71 71 VAL HG11 H 1 0.769 . . 1 . . . . . . . . . 7184 1 799 . 1 1 71 71 VAL HG12 H 1 0.769 . . 1 . . . . . . . . . 7184 1 800 . 1 1 71 71 VAL HG13 H 1 0.769 . . 1 . . . . . . . . . 7184 1 801 . 1 1 71 71 VAL HG21 H 1 0.903 . . 1 . . . . . . . . . 7184 1 802 . 1 1 71 71 VAL HG22 H 1 0.903 . . 1 . . . . . . . . . 7184 1 803 . 1 1 71 71 VAL HG23 H 1 0.903 . . 1 . . . . . . . . . 7184 1 804 . 1 1 71 71 VAL C C 13 173.370 . . 1 . . . . . . . . . 7184 1 805 . 1 1 71 71 VAL CA C 13 64.136 . . 1 . . . . . . . . . 7184 1 806 . 1 1 71 71 VAL CB C 13 29.147 . . 1 . . . . . . . . . 7184 1 807 . 1 1 71 71 VAL CG1 C 13 17.30 . . 1 . . . . . . . . . 7184 1 808 . 1 1 71 71 VAL CG2 C 13 20.60 . . 1 . . . . . . . . . 7184 1 809 . 1 1 71 71 VAL N N 15 119.134 . . 1 . . . . . . . . . 7184 1 810 . 1 1 72 72 LEU H H 1 8.463 . . 1 . . . . . . . . . 7184 1 811 . 1 1 72 72 LEU HA H 1 3.868 . . 1 . . . . . . . . . 7184 1 812 . 1 1 72 72 LEU HB2 H 1 1.050 . . 2 . . . . . . . . . 7184 1 813 . 1 1 72 72 LEU HB3 H 1 2.070 . . 2 . . . . . . . . . 7184 1 814 . 1 1 72 72 LEU HG H 1 1.880 . . 1 . . . . . . . . . 7184 1 815 . 1 1 72 72 LEU HD11 H 1 0.590 . . 2 . . . . . . . . . 7184 1 816 . 1 1 72 72 LEU HD12 H 1 0.590 . . 2 . . . . . . . . . 7184 1 817 . 1 1 72 72 LEU HD13 H 1 0.590 . . 2 . . . . . . . . . 7184 1 818 . 1 1 72 72 LEU HD21 H 1 0.700 . . 2 . . . . . . . . . 7184 1 819 . 1 1 72 72 LEU HD22 H 1 0.700 . . 2 . . . . . . . . . 7184 1 820 . 1 1 72 72 LEU HD23 H 1 0.700 . . 2 . . . . . . . . . 7184 1 821 . 1 1 72 72 LEU C C 13 172.510 . . 1 . . . . . . . . . 7184 1 822 . 1 1 72 72 LEU CA C 13 56.281 . . 1 . . . . . . . . . 7184 1 823 . 1 1 72 72 LEU CB C 13 36.644 . . 1 . . . . . . . . . 7184 1 824 . 1 1 72 72 LEU CG C 13 24.510 . . 1 . . . . . . . . . 7184 1 825 . 1 1 72 72 LEU CD1 C 13 20.70 . . 1 . . . . . . . . . 7184 1 826 . 1 1 72 72 LEU CD2 C 13 21.60 . . 1 . . . . . . . . . 7184 1 827 . 1 1 72 72 LEU N N 15 118.180 . . 1 . . . . . . . . . 7184 1 828 . 1 1 73 73 LYS H H 1 7.932 . . 1 . . . . . . . . . 7184 1 829 . 1 1 73 73 LYS HA H 1 3.680 . . 1 . . . . . . . . . 7184 1 830 . 1 1 73 73 LYS HB2 H 1 1.910 . . 2 . . . . . . . . . 7184 1 831 . 1 1 73 73 LYS HB3 H 1 1.930 . . 2 . . . . . . . . . 7184 1 832 . 1 1 73 73 LYS HG2 H 1 1.740 . . 2 . . . . . . . . . 7184 1 833 . 1 1 73 73 LYS HD2 H 1 1.470 . . 2 . . . . . . . . . 7184 1 834 . 1 1 73 73 LYS HE2 H 1 3.020 . . 2 . . . . . . . . . 7184 1 835 . 1 1 73 73 LYS C C 13 172.280 . . 1 . . . . . . . . . 7184 1 836 . 1 1 73 73 LYS CA C 13 57.430 . . 1 . . . . . . . . . 7184 1 837 . 1 1 73 73 LYS CB C 13 29.860 . . 1 . . . . . . . . . 7184 1 838 . 1 1 73 73 LYS CG C 13 27.000 . . 1 . . . . . . . . . 7184 1 839 . 1 1 73 73 LYS CD C 13 22.70 . . 1 . . . . . . . . . 7184 1 840 . 1 1 73 73 LYS CE C 13 39.600 . . 1 . . . . . . . . . 7184 1 841 . 1 1 73 73 LYS N N 15 117.712 . . 1 . . . . . . . . . 7184 1 842 . 1 1 74 74 HIS H H 1 7.755 . . 1 . . . . . . . . . 7184 1 843 . 1 1 74 74 HIS HA H 1 4.326 . . 1 . . . . . . . . . 7184 1 844 . 1 1 74 74 HIS HB2 H 1 3.330 . . 2 . . . . . . . . . 7184 1 845 . 1 1 74 74 HIS HB3 H 1 3.300 . . 2 . . . . . . . . . 7184 1 846 . 1 1 74 74 HIS HD2 H 1 7.500 . . 3 . . . . . . . . . 7184 1 847 . 1 1 74 74 HIS HE1 H 1 6.480 . . 1 . . . . . . . . . 7184 1 848 . 1 1 74 74 HIS C C 13 172.830 . . 1 . . . . . . . . . 7184 1 849 . 1 1 74 74 HIS CA C 13 58.066 . . 1 . . . . . . . . . 7184 1 850 . 1 1 74 74 HIS CB C 13 29.150 . . 1 . . . . . . . . . 7184 1 851 . 1 1 74 74 HIS N N 15 118.862 . . 1 . . . . . . . . . 7184 1 852 . 1 1 75 75 LEU H H 1 8.376 . . 1 . . . . . . . . . 7184 1 853 . 1 1 75 75 LEU HA H 1 3.940 . . 1 . . . . . . . . . 7184 1 854 . 1 1 75 75 LEU HB2 H 1 1.420 . . 2 . . . . . . . . . 7184 1 855 . 1 1 75 75 LEU HB3 H 1 1.620 . . 2 . . . . . . . . . 7184 1 856 . 1 1 75 75 LEU HG H 1 1.430 . . 1 . . . . . . . . . 7184 1 857 . 1 1 75 75 LEU HD11 H 1 0.700 . . 2 . . . . . . . . . 7184 1 858 . 1 1 75 75 LEU HD12 H 1 0.700 . . 2 . . . . . . . . . 7184 1 859 . 1 1 75 75 LEU HD13 H 1 0.700 . . 2 . . . . . . . . . 7184 1 860 . 1 1 75 75 LEU HD21 H 1 0.510 . . 2 . . . . . . . . . 7184 1 861 . 1 1 75 75 LEU HD22 H 1 0.510 . . 2 . . . . . . . . . 7184 1 862 . 1 1 75 75 LEU HD23 H 1 0.510 . . 2 . . . . . . . . . 7184 1 863 . 1 1 75 75 LEU C C 13 172.750 . . 1 . . . . . . . . . 7184 1 864 . 1 1 75 75 LEU CA C 13 55.536 . . 1 . . . . . . . . . 7184 1 865 . 1 1 75 75 LEU CB C 13 39.496 . . 1 . . . . . . . . . 7184 1 866 . 1 1 75 75 LEU CG C 13 24.520 . . 1 . . . . . . . . . 7184 1 867 . 1 1 75 75 LEU CD1 C 13 23.400 . . 2 . . . . . . . . . 7184 1 868 . 1 1 75 75 LEU CD2 C 13 20.40 . . 1 . . . . . . . . . 7184 1 869 . 1 1 75 75 LEU N N 15 117.800 . . 1 . . . . . . . . . 7184 1 870 . 1 1 76 76 ILE H H 1 8.137 . . 1 . . . . . . . . . 7184 1 871 . 1 1 76 76 ILE HA H 1 2.900 . . 1 . . . . . . . . . 7184 1 872 . 1 1 76 76 ILE HB H 1 1.230 . . 1 . . . . . . . . . 7184 1 873 . 1 1 76 76 ILE HG12 H 1 -1.230 . . 2 . . . . . . . . . 7184 1 874 . 1 1 76 76 ILE HG13 H 1 0.470 . . 2 . . . . . . . . . 7184 1 875 . 1 1 76 76 ILE HG21 H 1 0.0300 . . 1 . . . . . . . . . 7184 1 876 . 1 1 76 76 ILE HG22 H 1 0.0300 . . 1 . . . . . . . . . 7184 1 877 . 1 1 76 76 ILE HG23 H 1 0.0300 . . 1 . . . . . . . . . 7184 1 878 . 1 1 76 76 ILE HD11 H 1 0.480 . . 1 . . . . . . . . . 7184 1 879 . 1 1 76 76 ILE HD12 H 1 0.480 . . 1 . . . . . . . . . 7184 1 880 . 1 1 76 76 ILE HD13 H 1 0.480 . . 1 . . . . . . . . . 7184 1 881 . 1 1 76 76 ILE C C 13 174.030 . . 1 . . . . . . . . . 7184 1 882 . 1 1 76 76 ILE CA C 13 62.708 . . 1 . . . . . . . . . 7184 1 883 . 1 1 76 76 ILE CB C 13 35.573 . . 1 . . . . . . . . . 7184 1 884 . 1 1 76 76 ILE CG1 C 13 26.000 . . 2 . . . . . . . . . 7184 1 885 . 1 1 76 76 ILE CG2 C 13 13.90 . . 1 . . . . . . . . . 7184 1 886 . 1 1 76 76 ILE CD1 C 13 26.000 . . 1 . . . . . . . . . 7184 1 887 . 1 1 76 76 ILE N N 15 117.606 . . 1 . . . . . . . . . 7184 1 888 . 1 1 77 77 ASN H H 1 7.286 . . 1 . . . . . . . . . 7184 1 889 . 1 1 77 77 ASN HA H 1 4.400 . . 1 . . . . . . . . . 7184 1 890 . 1 1 77 77 ASN HB2 H 1 1.970 . . 2 . . . . . . . . . 7184 1 891 . 1 1 77 77 ASN HB3 H 1 2.360 . . 2 . . . . . . . . . 7184 1 892 . 1 1 77 77 ASN HD21 H 1 7.536 . . 2 . . . . . . . . . 7184 1 893 . 1 1 77 77 ASN HD22 H 1 7.395 . . 2 . . . . . . . . . 7184 1 894 . 1 1 77 77 ASN C C 13 174.580 . . 1 . . . . . . . . . 7184 1 895 . 1 1 77 77 ASN CA C 13 52.560 . . 1 . . . . . . . . . 7184 1 896 . 1 1 77 77 ASN CB C 13 37.001 . . 1 . . . . . . . . . 7184 1 897 . 1 1 77 77 ASN N N 15 111.553 . . 1 . . . . . . . . . 7184 1 898 . 1 1 77 77 ASN ND2 N 15 115.306 . . 1 . . . . . . . . . 7184 1 899 . 1 1 78 78 HIS H H 1 8.395 . . 1 . . . . . . . . . 7184 1 900 . 1 1 78 78 HIS HA H 1 4.890 . . 1 . . . . . . . . . 7184 1 901 . 1 1 78 78 HIS HB2 H 1 3.080 . . 2 . . . . . . . . . 7184 1 902 . 1 1 78 78 HIS HB3 H 1 2.380 . . 2 . . . . . . . . . 7184 1 903 . 1 1 78 78 HIS HD2 H 1 6.750 . . 3 . . . . . . . . . 7184 1 904 . 1 1 78 78 HIS HE1 H 1 8.020 . . 1 . . . . . . . . . 7184 1 905 . 1 1 78 78 HIS C C 13 175.180 . . 1 . . . . . . . . . 7184 1 906 . 1 1 78 78 HIS CA C 13 53.782 . . 1 . . . . . . . . . 7184 1 907 . 1 1 78 78 HIS CB C 13 28.800 . . 1 . . . . . . . . . 7184 1 908 . 1 1 78 78 HIS N N 15 115.016 . . 1 . . . . . . . . . 7184 1 909 . 1 1 79 79 LYS H H 1 8.295 . . 1 . . . . . . . . . 7184 1 910 . 1 1 79 79 LYS HA H 1 5.200 . . 1 . . . . . . . . . 7184 1 911 . 1 1 79 79 LYS HB2 H 1 2.090 . . 2 . . . . . . . . . 7184 1 912 . 1 1 79 79 LYS HB3 H 1 2.010 . . 2 . . . . . . . . . 7184 1 913 . 1 1 79 79 LYS HG2 H 1 1.450 . . 2 . . . . . . . . . 7184 1 914 . 1 1 79 79 LYS HD2 H 1 1.960 . . 2 . . . . . . . . . 7184 1 915 . 1 1 79 79 LYS HD3 H 1 1.880 . . 2 . . . . . . . . . 7184 1 916 . 1 1 79 79 LYS HE2 H 1 1.650 . . 2 . . . . . . . . . 7184 1 917 . 1 1 79 79 LYS HE3 H 1 1.500 . . 2 . . . . . . . . . 7184 1 918 . 1 1 79 79 LYS CA C 13 49.854 . . 1 . . . . . . . . . 7184 1 919 . 1 1 79 79 LYS CB C 13 30.900 . . 1 . . . . . . . . . 7184 1 920 . 1 1 79 79 LYS CG C 13 22.50 . . 1 . . . . . . . . . 7184 1 921 . 1 1 79 79 LYS CD C 13 26.100 . . 1 . . . . . . . . . 7184 1 922 . 1 1 79 79 LYS CE C 13 39.857 . . 1 . . . . . . . . . 7184 1 923 . 1 1 79 79 LYS N N 15 119.500 . . 1 . . . . . . . . . 7184 1 924 . 1 1 80 80 PRO HA H 1 4.510 . . 1 . . . . . . . . . 7184 1 925 . 1 1 80 80 PRO HB2 H 1 2.220 . . 2 . . . . . . . . . 7184 1 926 . 1 1 80 80 PRO HB3 H 1 2.540 . . 2 . . . . . . . . . 7184 1 927 . 1 1 80 80 PRO HG2 H 1 2.130 . . 2 . . . . . . . . . 7184 1 928 . 1 1 80 80 PRO HG3 H 1 2.206 . . 2 . . . . . . . . . 7184 1 929 . 1 1 80 80 PRO HD2 H 1 3.260 . . 3 . . . . . . . . . 7184 1 930 . 1 1 80 80 PRO HD3 H 1 3.790 . . 3 . . . . . . . . . 7184 1 931 . 1 1 80 80 PRO C C 13 171.580 . . 1 . . . . . . . . . 7184 1 932 . 1 1 80 80 PRO CA C 13 62.900 . . 1 . . . . . . . . . 7184 1 933 . 1 1 80 80 PRO CB C 13 28.720 . . 1 . . . . . . . . . 7184 1 934 . 1 1 80 80 PRO CG C 13 24.860 . . 1 . . . . . . . . . 7184 1 935 . 1 1 80 80 PRO CD C 13 47.800 . . 1 . . . . . . . . . 7184 1 936 . 1 1 81 81 ASP H H 1 9.237 . . 1 . . . . . . . . . 7184 1 937 . 1 1 81 81 ASP HA H 1 4.342 . . 1 . . . . . . . . . 7184 1 938 . 1 1 81 81 ASP HB2 H 1 2.830 . . 2 . . . . . . . . . 7184 1 939 . 1 1 81 81 ASP HB3 H 1 2.706 . . 2 . . . . . . . . . 7184 1 940 . 1 1 81 81 ASP C C 13 172.010 . . 1 . . . . . . . . . 7184 1 941 . 1 1 81 81 ASP CA C 13 53.781 . . 1 . . . . . . . . . 7184 1 942 . 1 1 81 81 ASP CB C 13 36.370 . . 1 . . . . . . . . . 7184 1 943 . 1 1 81 81 ASP N N 15 119.226 . . 1 . . . . . . . . . 7184 1 944 . 1 1 82 82 VAL H H 1 7.781 . . 1 . . . . . . . . . 7184 1 945 . 1 1 82 82 VAL HA H 1 3.985 . . 1 . . . . . . . . . 7184 1 946 . 1 1 82 82 VAL HB H 1 2.469 . . 1 . . . . . . . . . 7184 1 947 . 1 1 82 82 VAL HG11 H 1 1.132 . . 1 . . . . . . . . . 7184 1 948 . 1 1 82 82 VAL HG12 H 1 1.132 . . 1 . . . . . . . . . 7184 1 949 . 1 1 82 82 VAL HG13 H 1 1.132 . . 1 . . . . . . . . . 7184 1 950 . 1 1 82 82 VAL HG21 H 1 1.167 . . 1 . . . . . . . . . 7184 1 951 . 1 1 82 82 VAL HG22 H 1 1.167 . . 1 . . . . . . . . . 7184 1 952 . 1 1 82 82 VAL HG23 H 1 1.167 . . 1 . . . . . . . . . 7184 1 953 . 1 1 82 82 VAL C C 13 171.98 . . 1 . . . . . . . . . 7184 1 954 . 1 1 82 82 VAL CA C 13 62.708 . . 1 . . . . . . . . . 7184 1 955 . 1 1 82 82 VAL CB C 13 28.800 . . 1 . . . . . . . . . 7184 1 956 . 1 1 82 82 VAL CG1 C 13 21.30 . . 1 . . . . . . . . . 7184 1 957 . 1 1 82 82 VAL CG2 C 13 65.440 . . 1 . . . . . . . . . 7184 1 958 . 1 1 82 82 VAL N N 15 20.40 . . 1 . . . . . . . . . 7184 1 959 . 1 1 83 83 TRP H H 1 8.387 . . 1 . . . . . . . . . 7184 1 960 . 1 1 83 83 TRP HA H 1 4.697 . . 1 . . . . . . . . . 7184 1 961 . 1 1 83 83 TRP HB2 H 1 3.408 . . 2 . . . . . . . . . 7184 1 962 . 1 1 83 83 TRP HB3 H 1 3.051 . . 2 . . . . . . . . . 7184 1 963 . 1 1 83 83 TRP HD1 H 1 7.370 . . 1 . . . . . . . . . 7184 1 964 . 1 1 83 83 TRP HE1 H 1 11.388 . . 3 . . . . . . . . . 7184 1 965 . 1 1 83 83 TRP HZ2 H 1 7.587 . . 3 . . . . . . . . . 7184 1 966 . 1 1 83 83 TRP HZ3 H 1 7.370 . . 3 . . . . . . . . . 7184 1 967 . 1 1 83 83 TRP HH2 H 1 6.747 . . 1 . . . . . . . . . 7184 1 968 . 1 1 83 83 TRP C C 13 174.250 . . 1 . . . . . . . . . 7184 1 969 . 1 1 83 83 TRP CA C 13 56.638 . . 1 . . . . . . . . . 7184 1 970 . 1 1 83 83 TRP CB C 13 27.004 . . 1 . . . . . . . . . 7184 1 971 . 1 1 83 83 TRP N N 15 121.262 . . 1 . . . . . . . . . 7184 1 972 . 1 1 83 83 TRP NE1 N 15 131.480 . . 1 . . . . . . . . . 7184 1 973 . 1 1 84 84 ALA H H 1 8.197 . . 1 . . . . . . . . . 7184 1 974 . 1 1 84 84 ALA HA H 1 3.697 . . 1 . . . . . . . . . 7184 1 975 . 1 1 84 84 ALA HB1 H 1 1.584 . . 1 . . . . . . . . . 7184 1 976 . 1 1 84 84 ALA HB2 H 1 1.584 . . 1 . . . . . . . . . 7184 1 977 . 1 1 84 84 ALA HB3 H 1 1.584 . . 1 . . . . . . . . . 7184 1 978 . 1 1 84 84 ALA C C 13 170.260 . . 1 . . . . . . . . . 7184 1 979 . 1 1 84 84 ALA CA C 13 52.711 . . 1 . . . . . . . . . 7184 1 980 . 1 1 84 84 ALA CB C 13 15.27 . . 1 . . . . . . . . . 7184 1 981 . 1 1 84 84 ALA N N 15 118.898 . . 1 . . . . . . . . . 7184 1 982 . 1 1 85 85 GLN H H 1 7.305 . . 1 . . . . . . . . . 7184 1 983 . 1 1 85 85 GLN HA H 1 4.080 . . 1 . . . . . . . . . 7184 1 984 . 1 1 85 85 GLN HB2 H 1 2.170 . . 2 . . . . . . . . . 7184 1 985 . 1 1 85 85 GLN HB3 H 1 2.350 . . 2 . . . . . . . . . 7184 1 986 . 1 1 85 85 GLN HG2 H 1 2.390 . . 2 . . . . . . . . . 7184 1 987 . 1 1 85 85 GLN HG3 H 1 2.670 . . 2 . . . . . . . . . 7184 1 988 . 1 1 85 85 GLN HE21 H 1 6.751 . . 2 . . . . . . . . . 7184 1 989 . 1 1 85 85 GLN HE22 H 1 7.257 . . 2 . . . . . . . . . 7184 1 990 . 1 1 85 85 GLN C C 13 174.550 . . 1 . . . . . . . . . 7184 1 991 . 1 1 85 85 GLN CA C 13 56.130 . . 1 . . . . . . . . . 7184 1 992 . 1 1 85 85 GLN CB C 13 27.000 . . 1 . . . . . . . . . 7184 1 993 . 1 1 85 85 GLN CG C 13 31.700 . . 1 . . . . . . . . . 7184 1 994 . 1 1 85 85 GLN N N 15 117.771 . . 1 . . . . . . . . . 7184 1 995 . 1 1 85 85 GLN NE2 N 15 111.210 . . 1 . . . . . . . . . 7184 1 996 . 1 1 86 86 LEU H H 1 8.425 . . 1 . . . . . . . . . 7184 1 997 . 1 1 86 86 LEU HA H 1 4.050 . . 1 . . . . . . . . . 7184 1 998 . 1 1 86 86 LEU HB2 H 1 1.680 . . 2 . . . . . . . . . 7184 1 999 . 1 1 86 86 LEU HB3 H 1 1.875 . . 2 . . . . . . . . . 7184 1 1000 . 1 1 86 86 LEU HG H 1 1.730 . . 1 . . . . . . . . . 7184 1 1001 . 1 1 86 86 LEU HD11 H 1 0.789 . . 2 . . . . . . . . . 7184 1 1002 . 1 1 86 86 LEU HD12 H 1 0.789 . . 2 . . . . . . . . . 7184 1 1003 . 1 1 86 86 LEU HD13 H 1 0.789 . . 2 . . . . . . . . . 7184 1 1004 . 1 1 86 86 LEU HD21 H 1 1.070 . . 2 . . . . . . . . . 7184 1 1005 . 1 1 86 86 LEU HD22 H 1 1.070 . . 2 . . . . . . . . . 7184 1 1006 . 1 1 86 86 LEU HD23 H 1 1.070 . . 2 . . . . . . . . . 7184 1 1007 . 1 1 86 86 LEU C C 13 171.660 . . 1 . . . . . . . . . 7184 1 1008 . 1 1 86 86 LEU CA C 13 56.180 . . 1 . . . . . . . . . 7184 1 1009 . 1 1 86 86 LEU CB C 13 39.600 . . 1 . . . . . . . . . 7184 1 1010 . 1 1 86 86 LEU CG C 13 26.600 . . 1 . . . . . . . . . 7184 1 1011 . 1 1 86 86 LEU CD1 C 13 24.505 . . 1 . . . . . . . . . 7184 1 1012 . 1 1 86 86 LEU CD2 C 13 24.87 . . 1 . . . . . . . . . 7184 1 1013 . 1 1 86 86 LEU N N 15 122.890 . . 1 . . . . . . . . . 7184 1 1014 . 1 1 87 87 LYS H H 1 8.479 . . 1 . . . . . . . . . 7184 1 1015 . 1 1 87 87 LYS HA H 1 3.338 . . 1 . . . . . . . . . 7184 1 1016 . 1 1 87 87 LYS HB2 H 1 1.077 . . 2 . . . . . . . . . 7184 1 1017 . 1 1 87 87 LYS HB3 H 1 1.397 . . 2 . . . . . . . . . 7184 1 1018 . 1 1 87 87 LYS HG2 H 1 0.590 . . 2 . . . . . . . . . 7184 1 1019 . 1 1 87 87 LYS HG3 H 1 0.820 . . 2 . . . . . . . . . 7184 1 1020 . 1 1 87 87 LYS HD2 H 1 1.370 . . 2 . . . . . . . . . 7184 1 1021 . 1 1 87 87 LYS HD3 H 1 1.410 . . 2 . . . . . . . . . 7184 1 1022 . 1 1 87 87 LYS HE2 H 1 2.450 . . 2 . . . . . . . . . 7184 1 1023 . 1 1 87 87 LYS HE3 H 1 2.830 . . 2 . . . . . . . . . 7184 1 1024 . 1 1 87 87 LYS C C 13 173.440 . . 1 . . . . . . . . . 7184 1 1025 . 1 1 87 87 LYS CA C 13 57.394 . . 1 . . . . . . . . . 7184 1 1026 . 1 1 87 87 LYS CB C 13 28.150 . . 1 . . . . . . . . . 7184 1 1027 . 1 1 87 87 LYS CG C 13 21.60 . . 1 . . . . . . . . . 7184 1 1028 . 1 1 87 87 LYS CD C 13 26.700 . . 1 . . . . . . . . . 7184 1 1029 . 1 1 87 87 LYS CE C 13 38.800 . . 1 . . . . . . . . . 7184 1 1030 . 1 1 87 87 LYS N N 15 120.363 . . 1 . . . . . . . . . 7184 1 1031 . 1 1 88 88 ALA H H 1 7.079 . . 1 . . . . . . . . . 7184 1 1032 . 1 1 88 88 ALA HA H 1 3.953 . . 1 . . . . . . . . . 7184 1 1033 . 1 1 88 88 ALA HB1 H 1 1.404 . . 1 . . . . . . . . . 7184 1 1034 . 1 1 88 88 ALA HB2 H 1 1.404 . . 1 . . . . . . . . . 7184 1 1035 . 1 1 88 88 ALA HB3 H 1 1.404 . . 1 . . . . . . . . . 7184 1 1036 . 1 1 88 88 ALA CA C 13 51.650 . . 1 . . . . . . . . . 7184 1 1037 . 1 1 88 88 ALA CB C 13 15.42 . . 1 . . . . . . . . . 7184 1 1038 . 1 1 88 88 ALA N N 15 119.603 . . 1 . . . . . . . . . 7184 1 1039 . 1 1 89 89 LYS H H 1 7.175 . . 1 . . . . . . . . . 7184 1 1040 . 1 1 89 89 LYS HA H 1 4.057 . . 1 . . . . . . . . . 7184 1 1041 . 1 1 89 89 LYS HB2 H 1 1.608 . . 2 . . . . . . . . . 7184 1 1042 . 1 1 89 89 LYS HG2 H 1 0.0412 . . 2 . . . . . . . . . 7184 1 1043 . 1 1 89 89 LYS HD2 H 1 1.086 . . 2 . . . . . . . . . 7184 1 1044 . 1 1 89 89 LYS C C 13 173.020 . . 1 . . . . . . . . . 7184 1 1045 . 1 1 89 89 LYS CA C 13 55.567 . . 1 . . . . . . . . . 7184 1 1046 . 1 1 89 89 LYS CB C 13 30.575 . . 1 . . . . . . . . . 7184 1 1047 . 1 1 89 89 LYS CG C 13 67.710 . . 1 . . . . . . . . . 7184 1 1048 . 1 1 89 89 LYS CD C 13 68.060 . . 1 . . . . . . . . . 7184 1 1049 . 1 1 89 89 LYS N N 15 115.610 . . 1 . . . . . . . . . 7184 1 1050 . 1 1 90 90 TYR H H 1 8.259 . . 1 . . . . . . . . . 7184 1 1051 . 1 1 90 90 TYR HA H 1 4.450 . . 1 . . . . . . . . . 7184 1 1052 . 1 1 90 90 TYR HB2 H 1 3.058 . . 2 . . . . . . . . . 7184 1 1053 . 1 1 90 90 TYR HB3 H 1 2.418 . . 2 . . . . . . . . . 7184 1 1054 . 1 1 90 90 TYR HD1 H 1 6.832 . . 3 . . . . . . . . . 7184 1 1055 . 1 1 90 90 TYR HE1 H 1 7.364 . . 3 . . . . . . . . . 7184 1 1056 . 1 1 90 90 TYR C C 13 175.450 . . 1 . . . . . . . . . 7184 1 1057 . 1 1 90 90 TYR CA C 13 57.200 . . 1 . . . . . . . . . 7184 1 1058 . 1 1 90 90 TYR CB C 13 37.054 . . 1 . . . . . . . . . 7184 1 1059 . 1 1 90 90 TYR N N 15 113.465 . . 1 . . . . . . . . . 7184 1 1060 . 1 1 91 91 ASP H H 1 8.614 . . 1 . . . . . . . . . 7184 1 1061 . 1 1 91 91 ASP HA H 1 5.295 . . 1 . . . . . . . . . 7184 1 1062 . 1 1 91 91 ASP HB2 H 1 2.420 . . 2 . . . . . . . . . 7184 1 1063 . 1 1 91 91 ASP HB3 H 1 2.813 . . 2 . . . . . . . . . 7184 1 1064 . 1 1 91 91 ASP CA C 13 49.850 . . 1 . . . . . . . . . 7184 1 1065 . 1 1 91 91 ASP CB C 13 39.500 . . 1 . . . . . . . . . 7184 1 1066 . 1 1 91 91 ASP N N 15 119.492 . . 1 . . . . . . . . . 7184 1 1067 . 1 1 92 92 PRO HA H 1 4.204 . . 1 . . . . . . . . . 7184 1 1068 . 1 1 92 92 PRO HB2 H 1 2.010 . . 2 . . . . . . . . . 7184 1 1069 . 1 1 92 92 PRO HB3 H 1 2.460 . . 2 . . . . . . . . . 7184 1 1070 . 1 1 92 92 PRO HG2 H 1 2.080 . . 2 . . . . . . . . . 7184 1 1071 . 1 1 92 92 PRO HG3 H 1 2.010 . . 2 . . . . . . . . . 7184 1 1072 . 1 1 92 92 PRO HD2 H 1 3.780 . . 3 . . . . . . . . . 7184 1 1073 . 1 1 92 92 PRO HD3 H 1 3.300 . . 3 . . . . . . . . . 7184 1 1074 . 1 1 92 92 PRO C C 13 172.600 . . 1 . . . . . . . . . 7184 1 1075 . 1 1 92 92 PRO CA C 13 62.700 . . 1 . . . . . . . . . 7184 1 1076 . 1 1 92 92 PRO CB C 13 28.800 . . 1 . . . . . . . . . 7184 1 1077 . 1 1 92 92 PRO CG C 13 24.500 . . 1 . . . . . . . . . 7184 1 1078 . 1 1 92 92 PRO CD C 13 47.500 . . 1 . . . . . . . . . 7184 1 1079 . 1 1 93 93 ASP H H 1 8.430 . . 1 . . . . . . . . . 7184 1 1080 . 1 1 93 93 ASP HA H 1 4.710 . . 1 . . . . . . . . . 7184 1 1081 . 1 1 93 93 ASP HB2 H 1 2.764 . . 2 . . . . . . . . . 7184 1 1082 . 1 1 93 93 ASP HB3 H 1 2.811 . . 2 . . . . . . . . . 7184 1 1083 . 1 1 93 93 ASP C C 13 173.050 . . 1 . . . . . . . . . 7184 1 1084 . 1 1 93 93 ASP CA C 13 52.103 . . 1 . . . . . . . . . 7184 1 1085 . 1 1 93 93 ASP CB C 13 38.770 . . 1 . . . . . . . . . 7184 1 1086 . 1 1 93 93 ASP N N 15 116.508 . . 1 . . . . . . . . . 7184 1 1087 . 1 1 94 94 GLY H H 1 7.944 . . 1 . . . . . . . . . 7184 1 1088 . 1 1 94 94 GLY HA2 H 1 3.981 . . 2 . . . . . . . . . 7184 1 1089 . 1 1 94 94 GLY HA3 H 1 3.881 . . 2 . . . . . . . . . 7184 1 1090 . 1 1 94 94 GLY C C 13 175.550 . . 1 . . . . . . . . . 7184 1 1091 . 1 1 94 94 GLY CA C 13 44.855 . . 1 . . . . . . . . . 7184 1 1092 . 1 1 94 94 GLY N N 15 109.765 . . 1 . . . . . . . . . 7184 1 1093 . 1 1 95 95 THR H H 1 8.291 . . 1 . . . . . . . . . 7184 1 1094 . 1 1 95 95 THR HA H 1 3.901 . . 1 . . . . . . . . . 7184 1 1095 . 1 1 95 95 THR HB H 1 3.774 . . 1 . . . . . . . . . 7184 1 1096 . 1 1 95 95 THR HG21 H 1 0.876 . . 1 . . . . . . . . . 7184 1 1097 . 1 1 95 95 THR HG22 H 1 0.876 . . 1 . . . . . . . . . 7184 1 1098 . 1 1 95 95 THR HG23 H 1 0.876 . . 1 . . . . . . . . . 7184 1 1099 . 1 1 95 95 THR C C 13 174.520 . . 1 . . . . . . . . . 7184 1 1100 . 1 1 95 95 THR CA C 13 62.350 . . 1 . . . . . . . . . 7184 1 1101 . 1 1 95 95 THR CB C 13 66.278 . . 1 . . . . . . . . . 7184 1 1102 . 1 1 95 95 THR CG2 C 13 18.68 . . 1 . . . . . . . . . 7184 1 1103 . 1 1 95 95 THR N N 15 117.785 . . 1 . . . . . . . . . 7184 1 1104 . 1 1 96 96 TYR H H 1 9.618 . . 1 . . . . . . . . . 7184 1 1105 . 1 1 96 96 TYR HA H 1 4.750 . . 1 . . . . . . . . . 7184 1 1106 . 1 1 96 96 TYR HB2 H 1 2.706 . . 2 . . . . . . . . . 7184 1 1107 . 1 1 96 96 TYR HB3 H 1 3.341 . . 2 . . . . . . . . . 7184 1 1108 . 1 1 96 96 TYR HD1 H 1 7.000 . . 3 . . . . . . . . . 7184 1 1109 . 1 1 96 96 TYR HE1 H 1 7.277 . . 3 . . . . . . . . . 7184 1 1110 . 1 1 96 96 TYR C C 13 171.580 . . 1 . . . . . . . . . 7184 1 1111 . 1 1 96 96 TYR CA C 13 56.995 . . 1 . . . . . . . . . 7184 1 1112 . 1 1 96 96 TYR CB C 13 36.985 . . 1 . . . . . . . . . 7184 1 1113 . 1 1 96 96 TYR N N 15 122.567 . . 1 . . . . . . . . . 7184 1 1114 . 1 1 97 97 SER H H 1 9.478 . . 1 . . . . . . . . . 7184 1 1115 . 1 1 97 97 SER HA H 1 4.198 . . 1 . . . . . . . . . 7184 1 1116 . 1 1 97 97 SER HB2 H 1 3.940 . . 2 . . . . . . . . . 7184 1 1117 . 1 1 97 97 SER HB3 H 1 4.065 . . 2 . . . . . . . . . 7184 1 1118 . 1 1 97 97 SER C C 13 174.920 . . 1 . . . . . . . . . 7184 1 1119 . 1 1 97 97 SER CA C 13 60.050 . . 1 . . . . . . . . . 7184 1 1120 . 1 1 97 97 SER CB C 13 66.900 . . 1 . . . . . . . . . 7184 1 1121 . 1 1 97 97 SER N N 15 118.050 . . 1 . . . . . . . . . 7184 1 1122 . 1 1 98 98 LYS H H 1 7.756 . . 1 . . . . . . . . . 7184 1 1123 . 1 1 98 98 LYS HA H 1 4.350 . . 1 . . . . . . . . . 7184 1 1124 . 1 1 98 98 LYS HB2 H 1 1.990 . . 2 . . . . . . . . . 7184 1 1125 . 1 1 98 98 LYS HG2 H 1 1.542 . . 2 . . . . . . . . . 7184 1 1126 . 1 1 98 98 LYS HG3 H 1 1.577 . . 2 . . . . . . . . . 7184 1 1127 . 1 1 98 98 LYS HD2 H 1 1.721 . . 2 . . . . . . . . . 7184 1 1128 . 1 1 98 98 LYS C C 13 172.280 . . 1 . . . . . . . . . 7184 1 1129 . 1 1 98 98 LYS CA C 13 56.274 . . 1 . . . . . . . . . 7184 1 1130 . 1 1 98 98 LYS CB C 13 29.473 . . 1 . . . . . . . . . 7184 1 1131 . 1 1 98 98 LYS CG C 13 22.29 . . 1 . . . . . . . . . 7184 1 1132 . 1 1 98 98 LYS CD C 13 26.200 . . 1 . . . . . . . . . 7184 1 1133 . 1 1 98 98 LYS N N 15 124.712 . . 1 . . . . . . . . . 7184 1 1134 . 1 1 99 99 LYS H H 1 7.792 . . 1 . . . . . . . . . 7184 1 1135 . 1 1 99 99 LYS HA H 1 4.198 . . 1 . . . . . . . . . 7184 1 1136 . 1 1 99 99 LYS HB2 H 1 1.958 . . 2 . . . . . . . . . 7184 1 1137 . 1 1 99 99 LYS HG2 H 1 1.555 . . 2 . . . . . . . . . 7184 1 1138 . 1 1 99 99 LYS HG3 H 1 1.580 . . 2 . . . . . . . . . 7184 1 1139 . 1 1 99 99 LYS HD2 H 1 1.826 . . 2 . . . . . . . . . 7184 1 1140 . 1 1 99 99 LYS HE2 H 1 3.322 . . 2 . . . . . . . . . 7184 1 1141 . 1 1 99 99 LYS HE3 H 1 3.097 . . 2 . . . . . . . . . 7184 1 1142 . 1 1 99 99 LYS C C 13 172.120 . . 1 . . . . . . . . . 7184 1 1143 . 1 1 99 99 LYS CA C 13 56.655 . . 1 . . . . . . . . . 7184 1 1144 . 1 1 99 99 LYS CB C 13 29.527 . . 1 . . . . . . . . . 7184 1 1145 . 1 1 99 99 LYS CG C 13 22.30 . . 1 . . . . . . . . . 7184 1 1146 . 1 1 99 99 LYS CD C 13 26.400 . . 1 . . . . . . . . . 7184 1 1147 . 1 1 99 99 LYS CE C 13 39.140 . . 1 . . . . . . . . . 7184 1 1148 . 1 1 99 99 LYS N N 15 118.378 . . 1 . . . . . . . . . 7184 1 1149 . 1 1 100 100 TYR H H 1 7.885 . . 1 . . . . . . . . . 7184 1 1150 . 1 1 100 100 TYR HA H 1 4.040 . . 1 . . . . . . . . . 7184 1 1151 . 1 1 100 100 TYR HB2 H 1 3.184 . . 2 . . . . . . . . . 7184 1 1152 . 1 1 100 100 TYR HB3 H 1 3.290 . . 2 . . . . . . . . . 7184 1 1153 . 1 1 100 100 TYR HD1 H 1 6.648 . . 3 . . . . . . . . . 7184 1 1154 . 1 1 100 100 TYR HE1 H 1 6.988 . . 3 . . . . . . . . . 7184 1 1155 . 1 1 100 100 TYR C C 13 173.190 . . 1 . . . . . . . . . 7184 1 1156 . 1 1 100 100 TYR CA C 13 58.772 . . 1 . . . . . . . . . 7184 1 1157 . 1 1 100 100 TYR CB C 13 36.940 . . 1 . . . . . . . . . 7184 1 1158 . 1 1 100 100 TYR N N 15 119.927 . . 1 . . . . . . . . . 7184 1 1159 . 1 1 101 101 GLU H H 1 8.472 . . 1 . . . . . . . . . 7184 1 1160 . 1 1 101 101 GLU HA H 1 3.950 . . 1 . . . . . . . . . 7184 1 1161 . 1 1 101 101 GLU HB2 H 1 2.350 . . 2 . . . . . . . . . 7184 1 1162 . 1 1 101 101 GLU HB3 H 1 2.420 . . 2 . . . . . . . . . 7184 1 1163 . 1 1 101 101 GLU HG2 H 1 2.530 . . 2 . . . . . . . . . 7184 1 1164 . 1 1 101 101 GLU HG3 H 1 2.600 . . 2 . . . . . . . . . 7184 1 1165 . 1 1 101 101 GLU C C 13 173.070 . . 1 . . . . . . . . . 7184 1 1166 . 1 1 101 101 GLU CA C 13 56.255 . . 1 . . . . . . . . . 7184 1 1167 . 1 1 101 101 GLU CB C 13 27.090 . . 1 . . . . . . . . . 7184 1 1168 . 1 1 101 101 GLU CG C 13 33.510 . . 1 . . . . . . . . . 7184 1 1169 . 1 1 101 101 GLU N N 15 119.485 . . 1 . . . . . . . . . 7184 1 1170 . 1 1 102 102 ASP H H 1 8.542 . . 1 . . . . . . . . . 7184 1 1171 . 1 1 102 102 ASP HA H 1 4.463 . . 1 . . . . . . . . . 7184 1 1172 . 1 1 102 102 ASP HB2 H 1 2.800 . . 2 . . . . . . . . . 7184 1 1173 . 1 1 102 102 ASP HB3 H 1 2.760 . . 2 . . . . . . . . . 7184 1 1174 . 1 1 102 102 ASP C C 13 172.550 . . 1 . . . . . . . . . 7184 1 1175 . 1 1 102 102 ASP CA C 13 53.951 . . 1 . . . . . . . . . 7184 1 1176 . 1 1 102 102 ASP CB C 13 37.952 . . 1 . . . . . . . . . 7184 1 1177 . 1 1 102 102 ASP N N 15 120.677 . . 1 . . . . . . . . . 7184 1 1178 . 1 1 103 103 ARG H H 1 7.758 . . 1 . . . . . . . . . 7184 1 1179 . 1 1 103 103 ARG HA H 1 4.200 . . 1 . . . . . . . . . 7184 1 1180 . 1 1 103 103 ARG HB2 H 1 1.870 . . 2 . . . . . . . . . 7184 1 1181 . 1 1 103 103 ARG HG2 H 1 1.570 . . 2 . . . . . . . . . 7184 1 1182 . 1 1 103 103 ARG HG3 H 1 1.730 . . 2 . . . . . . . . . 7184 1 1183 . 1 1 103 103 ARG HD2 H 1 3.160 . . 2 . . . . . . . . . 7184 1 1184 . 1 1 103 103 ARG C C 13 172.810 . . 1 . . . . . . . . . 7184 1 1185 . 1 1 103 103 ARG CA C 13 55.580 . . 1 . . . . . . . . . 7184 1 1186 . 1 1 103 103 ARG CB C 13 27.759 . . 1 . . . . . . . . . 7184 1 1187 . 1 1 103 103 ARG CG C 13 24.505 . . 1 . . . . . . . . . 7184 1 1188 . 1 1 103 103 ARG CD C 13 40.700 . . 1 . . . . . . . . . 7184 1 1189 . 1 1 103 103 ARG N N 15 119.810 . . 1 . . . . . . . . . 7184 1 1190 . 1 1 104 104 GLU H H 1 7.745 . . 1 . . . . . . . . . 7184 1 1191 . 1 1 104 104 GLU HA H 1 4.360 . . 1 . . . . . . . . . 7184 1 1192 . 1 1 104 104 GLU HB2 H 1 1.700 . . 2 . . . . . . . . . 7184 1 1193 . 1 1 104 104 GLU HG2 H 1 2.010 . . 2 . . . . . . . . . 7184 1 1194 . 1 1 104 104 GLU HG3 H 1 2.057 . . 2 . . . . . . . . . 7184 1 1195 . 1 1 104 104 GLU C C 13 173.090 . . 1 . . . . . . . . . 7184 1 1196 . 1 1 104 104 GLU CA C 13 53.885 . . 1 . . . . . . . . . 7184 1 1197 . 1 1 104 104 GLU CB C 13 27.285 . . 1 . . . . . . . . . 7184 1 1198 . 1 1 104 104 GLU CG C 13 32.487 . . 1 . . . . . . . . . 7184 1 1199 . 1 1 104 104 GLU N N 15 117.362 . . 1 . . . . . . . . . 7184 1 1200 . 1 1 105 105 LYS H H 1 7.960 . . 1 . . . . . . . . . 7184 1 1201 . 1 1 105 105 LYS HA H 1 4.200 . . 1 . . . . . . . . . 7184 1 1202 . 1 1 105 105 LYS HB2 H 1 1.820 . . 2 . . . . . . . . . 7184 1 1203 . 1 1 105 105 LYS HB3 H 1 1.930 . . 2 . . . . . . . . . 7184 1 1204 . 1 1 105 105 LYS HG2 H 1 1.460 . . 2 . . . . . . . . . 7184 1 1205 . 1 1 105 105 LYS HD2 H 1 1.720 . . 2 . . . . . . . . . 7184 1 1206 . 1 1 105 105 LYS HE2 H 1 3.010 . . 2 . . . . . . . . . 7184 1 1207 . 1 1 105 105 LYS C C 13 173.910 . . 1 . . . . . . . . . 7184 1 1208 . 1 1 105 105 LYS CA C 13 54.809 . . 1 . . . . . . . . . 7184 1 1209 . 1 1 105 105 LYS CB C 13 29.800 . . 1 . . . . . . . . . 7184 1 1210 . 1 1 105 105 LYS CG C 13 22.26 . . 1 . . . . . . . . . 7184 1 1211 . 1 1 105 105 LYS CD C 13 26.520 . . 1 . . . . . . . . . 7184 1 1212 . 1 1 105 105 LYS CE C 13 39.300 . . 1 . . . . . . . . . 7184 1 1213 . 1 1 105 105 LYS N N 15 121.166 . . 1 . . . . . . . . . 7184 1 1214 . 1 1 106 106 GLU H H 1 8.311 . . 1 . . . . . . . . . 7184 1 1215 . 1 1 106 106 GLU HA H 1 4.238 . . 1 . . . . . . . . . 7184 1 1216 . 1 1 106 106 GLU HB2 H 1 2.003 . . 2 . . . . . . . . . 7184 1 1217 . 1 1 106 106 GLU HB3 H 1 1.940 . . 2 . . . . . . . . . 7184 1 1218 . 1 1 106 106 GLU HG2 H 1 2.308 . . 2 . . . . . . . . . 7184 1 1219 . 1 1 106 106 GLU HG3 H 1 2.236 . . 2 . . . . . . . . . 7184 1 1220 . 1 1 106 106 GLU C C 13 174.460 . . 1 . . . . . . . . . 7184 1 1221 . 1 1 106 106 GLU CA C 13 53.766 . . 1 . . . . . . . . . 7184 1 1222 . 1 1 106 106 GLU CB C 13 27.875 . . 1 . . . . . . . . . 7184 1 1223 . 1 1 106 106 GLU CG C 13 33.500 . . 1 . . . . . . . . . 7184 1 1224 . 1 1 106 106 GLU N N 15 123.235 . . 1 . . . . . . . . . 7184 1 1225 . 1 1 107 107 LEU H H 1 8.110 . . 1 . . . . . . . . . 7184 1 1226 . 1 1 107 107 LEU HA H 1 4.337 . . 1 . . . . . . . . . 7184 1 1227 . 1 1 107 107 LEU HB2 H 1 1.498 . . 2 . . . . . . . . . 7184 1 1228 . 1 1 107 107 LEU HB3 H 1 1.620 . . 2 . . . . . . . . . 7184 1 1229 . 1 1 107 107 LEU HG H 1 1.620 . . 1 . . . . . . . . . 7184 1 1230 . 1 1 107 107 LEU C C 13 173.870 . . 1 . . . . . . . . . 7184 1 1231 . 1 1 107 107 LEU CA C 13 52.411 . . 1 . . . . . . . . . 7184 1 1232 . 1 1 107 107 LEU CB C 13 39.871 . . 1 . . . . . . . . . 7184 1 1233 . 1 1 107 107 LEU CG C 13 23.500 . . 1 . . . . . . . . . 7184 1 1234 . 1 1 107 107 LEU N N 15 122.784 . . 1 . . . . . . . . . 7184 1 1235 . 1 1 108 108 HIS H H 1 8.282 . . 1 . . . . . . . . . 7184 1 1236 . 1 1 108 108 HIS HA H 1 4.705 . . 1 . . . . . . . . . 7184 1 1237 . 1 1 108 108 HIS HB2 H 1 3.163 . . 2 . . . . . . . . . 7184 1 1238 . 1 1 108 108 HIS HB3 H 1 3.271 . . 2 . . . . . . . . . 7184 1 1239 . 1 1 108 108 HIS HD2 H 1 8.300 . . 3 . . . . . . . . . 7184 1 1240 . 1 1 108 108 HIS HE1 H 1 7.220 . . 1 . . . . . . . . . 7184 1 1241 . 1 1 108 108 HIS C C 13 176.720 . . 1 . . . . . . . . . 7184 1 1242 . 1 1 108 108 HIS CA C 13 53.087 . . 1 . . . . . . . . . 7184 1 1243 . 1 1 108 108 HIS CB C 13 32.065 . . 1 . . . . . . . . . 7184 1 1244 . 1 1 108 108 HIS N N 15 120.706 . . 1 . . . . . . . . . 7184 1 1245 . 1 1 109 109 GLN H H 1 8.044 . . 1 . . . . . . . . . 7184 1 1246 . 1 1 109 109 GLN HA H 1 4.216 . . 1 . . . . . . . . . 7184 1 1247 . 1 1 109 109 GLN HB2 H 1 1.958 . . 2 . . . . . . . . . 7184 1 1248 . 1 1 109 109 GLN HG2 H 1 2.161 . . 2 . . . . . . . . . 7184 1 1249 . 1 1 109 109 GLN HG3 H 1 2.320 . . 2 . . . . . . . . . 7184 1 1250 . 1 1 109 109 GLN HE21 H 1 7.561 . . 2 . . . . . . . . . 7184 1 1251 . 1 1 109 109 GLN HE22 H 1 6.851 . . 2 . . . . . . . . . 7184 1 1252 . 1 1 109 109 GLN CA C 13 54.992 . . 1 . . . . . . . . . 7184 1 1253 . 1 1 109 109 GLN CB C 13 27.700 . . 1 . . . . . . . . . 7184 1 1254 . 1 1 109 109 GLN CG C 13 31.700 . . 1 . . . . . . . . . 7184 1 1255 . 1 1 109 109 GLN N N 15 127.336 . . 1 . . . . . . . . . 7184 1 1256 . 1 1 109 109 GLN NE2 N 15 112.930 . . 1 . . . . . . . . . 7184 1 stop_ save_