data_5880 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5880 _Entry.Title ; Solution structure of the retroviral Gag MA-like domain of RIKEN cDNA 3110009E22 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-07-23 _Entry.Accession_date 2003-07-23 _Entry.Last_release_date 2006-01-11 _Entry.Original_release_date 2006-01-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 S. Suzuki . . . 5880 2 H. Hatanaka . . . 5880 3 M. Inoue . . . 5880 4 T. Kigawa . . . 5880 5 T. Terada . . . 5880 6 M. Shirouzu . . . 5880 7 Y. Hayashizaki . . . 5880 8 S. Yokoyama . . . 5880 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5880 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 452 5880 '15N chemical shifts' 108 5880 '1H chemical shifts' 675 5880 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-01-11 2003-07-23 original author . 5880 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UHU 'BMRB Entry Tracking System' 5880 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5880 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the retroviral Gag MA-like domain of RIKEN cDNA 3110009E22' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Suzuki . . . 5880 1 2 H. Hatanaka . . . 5880 1 3 M. Inoue . . . 5880 1 4 T. Kigawa . . . 5880 1 5 T. Terada . . . 5880 1 6 M. Shirouzu . . . 5880 1 7 Y. Hayashizaki . . . 5880 1 8 S. Yokoyama . . . 5880 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'structural genomics' 5880 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RIKEN_cDNA_3110009E22 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RIKEN_cDNA_3110009E22 _Assembly.Entry_ID 5880 _Assembly.ID 1 _Assembly.Name 'product of RIKEN cDNA 3110009E22' _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 'not present' _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 5880 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 'product of RIKEN cDNA 3110009E22' 1 $RIKEN_cDNA_3110009E22 . . . native . . . . . 5880 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 . PDB 1UHU . . . . . . 5880 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'product of RIKEN cDNA 3110009E22' system 5880 1 'RIKEN cDNA 3110009E22' abbreviation 5880 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RIKEN_cDNA_3110009E22 _Entity.Sf_category entity _Entity.Sf_framecode RIKEN_cDNA_3110009E22 _Entity.Entry_ID 5880 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RIKEN cDNA 3110009E22' _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 ; GSSGSSGTPLSLTLDHWSEI RSRAHNLSVEIKKGPWRTFC ASEWPTFDVGWPPEGTFDLT VIFEVKAIVFQDGPGSHPDQ QPYITVWQDLVQNSPPWIKS GPSSG ; _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1UHU . "Solution Structure Of The Retroviral Gag Ma-Like Domain Of Riken Cdna 3110009e22" . . . . . 100.00 105 100.00 100.00 1.34e-68 . . . . 5880 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RIKEN cDNA 3110009E22' abbreviation 5880 1 'RIKEN cDNA 3110009E22' common 5880 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5880 1 2 . SER . 5880 1 3 . SER . 5880 1 4 . GLY . 5880 1 5 . SER . 5880 1 6 . SER . 5880 1 7 . GLY . 5880 1 8 . THR . 5880 1 9 . PRO . 5880 1 10 . LEU . 5880 1 11 . SER . 5880 1 12 . LEU . 5880 1 13 . THR . 5880 1 14 . LEU . 5880 1 15 . ASP . 5880 1 16 . HIS . 5880 1 17 . TRP . 5880 1 18 . SER . 5880 1 19 . GLU . 5880 1 20 . ILE . 5880 1 21 . ARG . 5880 1 22 . SER . 5880 1 23 . ARG . 5880 1 24 . ALA . 5880 1 25 . HIS . 5880 1 26 . ASN . 5880 1 27 . LEU . 5880 1 28 . SER . 5880 1 29 . VAL . 5880 1 30 . GLU . 5880 1 31 . ILE . 5880 1 32 . LYS . 5880 1 33 . LYS . 5880 1 34 . GLY . 5880 1 35 . PRO . 5880 1 36 . TRP . 5880 1 37 . ARG . 5880 1 38 . THR . 5880 1 39 . PHE . 5880 1 40 . CYS . 5880 1 41 . ALA . 5880 1 42 . SER . 5880 1 43 . GLU . 5880 1 44 . TRP . 5880 1 45 . PRO . 5880 1 46 . THR . 5880 1 47 . PHE . 5880 1 48 . ASP . 5880 1 49 . VAL . 5880 1 50 . GLY . 5880 1 51 . TRP . 5880 1 52 . PRO . 5880 1 53 . PRO . 5880 1 54 . GLU . 5880 1 55 . GLY . 5880 1 56 . THR . 5880 1 57 . PHE . 5880 1 58 . ASP . 5880 1 59 . LEU . 5880 1 60 . THR . 5880 1 61 . VAL . 5880 1 62 . ILE . 5880 1 63 . PHE . 5880 1 64 . GLU . 5880 1 65 . VAL . 5880 1 66 . LYS . 5880 1 67 . ALA . 5880 1 68 . ILE . 5880 1 69 . VAL . 5880 1 70 . PHE . 5880 1 71 . GLN . 5880 1 72 . ASP . 5880 1 73 . GLY . 5880 1 74 . PRO . 5880 1 75 . GLY . 5880 1 76 . SER . 5880 1 77 . HIS . 5880 1 78 . PRO . 5880 1 79 . ASP . 5880 1 80 . GLN . 5880 1 81 . GLN . 5880 1 82 . PRO . 5880 1 83 . TYR . 5880 1 84 . ILE . 5880 1 85 . THR . 5880 1 86 . VAL . 5880 1 87 . TRP . 5880 1 88 . GLN . 5880 1 89 . ASP . 5880 1 90 . LEU . 5880 1 91 . VAL . 5880 1 92 . GLN . 5880 1 93 . ASN . 5880 1 94 . SER . 5880 1 95 . PRO . 5880 1 96 . PRO . 5880 1 97 . TRP . 5880 1 98 . ILE . 5880 1 99 . LYS . 5880 1 100 . SER . 5880 1 101 . GLY . 5880 1 102 . PRO . 5880 1 103 . SER . 5880 1 104 . SER . 5880 1 105 . GLY . 5880 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5880 1 . SER 2 2 5880 1 . SER 3 3 5880 1 . GLY 4 4 5880 1 . SER 5 5 5880 1 . SER 6 6 5880 1 . GLY 7 7 5880 1 . THR 8 8 5880 1 . PRO 9 9 5880 1 . LEU 10 10 5880 1 . SER 11 11 5880 1 . LEU 12 12 5880 1 . THR 13 13 5880 1 . LEU 14 14 5880 1 . ASP 15 15 5880 1 . HIS 16 16 5880 1 . TRP 17 17 5880 1 . SER 18 18 5880 1 . GLU 19 19 5880 1 . ILE 20 20 5880 1 . ARG 21 21 5880 1 . SER 22 22 5880 1 . ARG 23 23 5880 1 . ALA 24 24 5880 1 . HIS 25 25 5880 1 . ASN 26 26 5880 1 . LEU 27 27 5880 1 . SER 28 28 5880 1 . VAL 29 29 5880 1 . GLU 30 30 5880 1 . ILE 31 31 5880 1 . LYS 32 32 5880 1 . LYS 33 33 5880 1 . GLY 34 34 5880 1 . PRO 35 35 5880 1 . TRP 36 36 5880 1 . ARG 37 37 5880 1 . THR 38 38 5880 1 . PHE 39 39 5880 1 . CYS 40 40 5880 1 . ALA 41 41 5880 1 . SER 42 42 5880 1 . GLU 43 43 5880 1 . TRP 44 44 5880 1 . PRO 45 45 5880 1 . THR 46 46 5880 1 . PHE 47 47 5880 1 . ASP 48 48 5880 1 . VAL 49 49 5880 1 . GLY 50 50 5880 1 . TRP 51 51 5880 1 . PRO 52 52 5880 1 . PRO 53 53 5880 1 . GLU 54 54 5880 1 . GLY 55 55 5880 1 . THR 56 56 5880 1 . PHE 57 57 5880 1 . ASP 58 58 5880 1 . LEU 59 59 5880 1 . THR 60 60 5880 1 . VAL 61 61 5880 1 . ILE 62 62 5880 1 . PHE 63 63 5880 1 . GLU 64 64 5880 1 . VAL 65 65 5880 1 . LYS 66 66 5880 1 . ALA 67 67 5880 1 . ILE 68 68 5880 1 . VAL 69 69 5880 1 . PHE 70 70 5880 1 . GLN 71 71 5880 1 . ASP 72 72 5880 1 . GLY 73 73 5880 1 . PRO 74 74 5880 1 . GLY 75 75 5880 1 . SER 76 76 5880 1 . HIS 77 77 5880 1 . PRO 78 78 5880 1 . ASP 79 79 5880 1 . GLN 80 80 5880 1 . GLN 81 81 5880 1 . PRO 82 82 5880 1 . TYR 83 83 5880 1 . ILE 84 84 5880 1 . THR 85 85 5880 1 . VAL 86 86 5880 1 . TRP 87 87 5880 1 . GLN 88 88 5880 1 . ASP 89 89 5880 1 . LEU 90 90 5880 1 . VAL 91 91 5880 1 . GLN 92 92 5880 1 . ASN 93 93 5880 1 . SER 94 94 5880 1 . PRO 95 95 5880 1 . PRO 96 96 5880 1 . TRP 97 97 5880 1 . ILE 98 98 5880 1 . LYS 99 99 5880 1 . SER 100 100 5880 1 . GLY 101 101 5880 1 . PRO 102 102 5880 1 . SER 103 103 5880 1 . SER 104 104 5880 1 . GLY 105 105 5880 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 5880 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RIKEN_cDNA_3110009E22 . 10090 . . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 5880 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 5880 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RIKEN_cDNA_3110009E22 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5880 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5880 _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 'RIKEN cDNA 3110009E22' '[U-13C; U-15N]' . . 1 $RIKEN_cDNA_3110009E22 . . 3.2 . . mM . . . . 5880 1 2 'phosphate buffer Na' . . . . . . . 20 . . mM . . . . 5880 1 3 NaCl . . . . . . . 100 . . mM . . . . 5880 1 4 d-DTT . . . . . . . 1 . . mM . . . . 5880 1 5 H2O . . . . . . . 90 . . % . . . . 5880 1 6 D2O . . . . . . . 10 . . % . . . . 5880 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 5880 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 . mM 5880 1 pH 6.0 . pH 5880 1 pressure 1 . atm 5880 1 temperature 298 . K 5880 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 5880 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1B _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5880 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5880 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5880 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5880 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details 'Johnson, B.A.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5880 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 5880 _Software.ID 4 _Software.Name Kujira _Software.Version 0.771 _Software.Details 'Kobayashi, N.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5880 4 stop_ save_ save_Olivia _Software.Sf_category software _Software.Sf_framecode Olivia _Software.Entry_ID 5880 _Software.ID 5 _Software.Name Olivia _Software.Version 1.9.5 _Software.Details 'Yokochi, M.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5880 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 5880 _Software.ID 6 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details 'Guentert, P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5880 6 'structure solution' 5880 6 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 5880 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5880 _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 Varian INOVA . 800 . . . 5880 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 5880 _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 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5880 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5880 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5880 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5880 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 5880 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; C13 and N15 chemical shifts were referenced from H1 reference according to the software NMRpipe. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm . external indirect . external . . . . . . . . 5880 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 internal . . . . . . . . 5880 1 N 15 water ptotons . . . . ppm . external indirect . external . . . . . . . . 5880 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 5880 _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 $sample_1 . 5880 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY CA C 13 45.450 0.600 . 1 . . . . . . . . 5880 1 2 . 1 1 1 1 GLY HA2 H 1 4.040 0.030 . 1 . . . . . . . . 5880 1 3 . 1 1 2 2 SER H H 1 8.317 0.030 . 1 . . . . . . . . 5880 1 4 . 1 1 2 2 SER N N 15 115.842 0.400 . 1 . . . . . . . . 5880 1 5 . 1 1 2 2 SER CA C 13 58.470 0.600 . 1 . . . . . . . . 5880 1 6 . 1 1 2 2 SER HA H 1 4.540 0.030 . 1 . . . . . . . . 5880 1 7 . 1 1 2 2 SER C C 13 174.674 0.600 . 1 . . . . . . . . 5880 1 8 . 1 1 2 2 SER CB C 13 64.020 0.600 . 1 . . . . . . . . 5880 1 9 . 1 1 2 2 SER HB2 H 1 3.931 0.030 . 1 . . . . . . . . 5880 1 10 . 1 1 3 3 SER H H 1 8.590 0.030 . 1 . . . . . . . . 5880 1 11 . 1 1 3 3 SER N N 15 118.150 0.400 . 1 . . . . . . . . 5880 1 12 . 1 1 3 3 SER CA C 13 58.610 0.600 . 1 . . . . . . . . 5880 1 13 . 1 1 3 3 SER HA H 1 4.520 0.030 . 1 . . . . . . . . 5880 1 14 . 1 1 3 3 SER C C 13 174.607 0.600 . 1 . . . . . . . . 5880 1 15 . 1 1 3 3 SER CB C 13 63.760 0.600 . 1 . . . . . . . . 5880 1 16 . 1 1 3 3 SER HB2 H 1 3.920 0.030 . 1 . . . . . . . . 5880 1 17 . 1 1 4 4 GLY H H 1 8.480 0.030 . 1 . . . . . . . . 5880 1 18 . 1 1 4 4 GLY N N 15 110.960 0.400 . 1 . . . . . . . . 5880 1 19 . 1 1 4 4 GLY CA C 13 45.450 0.600 . 1 . . . . . . . . 5880 1 20 . 1 1 4 4 GLY HA2 H 1 4.040 0.030 . 1 . . . . . . . . 5880 1 21 . 1 1 5 5 SER H H 1 8.310 0.030 . 1 . . . . . . . . 5880 1 22 . 1 1 5 5 SER N N 15 115.950 0.400 . 1 . . . . . . . . 5880 1 23 . 1 1 5 5 SER CA C 13 58.440 0.600 . 1 . . . . . . . . 5880 1 24 . 1 1 5 5 SER HA H 1 4.580 0.030 . 1 . . . . . . . . 5880 1 25 . 1 1 5 5 SER C C 13 176.068 0.600 . 1 . . . . . . . . 5880 1 26 . 1 1 5 5 SER CB C 13 63.969 0.600 . 1 . . . . . . . . 5880 1 27 . 1 1 5 5 SER HB2 H 1 3.930 0.030 . 1 . . . . . . . . 5880 1 28 . 1 1 6 6 SER H H 1 8.330 0.030 . 1 . . . . . . . . 5880 1 29 . 1 1 6 6 SER N N 15 117.871 0.400 . 1 . . . . . . . . 5880 1 30 . 1 1 6 6 SER CA C 13 58.628 0.600 . 1 . . . . . . . . 5880 1 31 . 1 1 6 6 SER HA H 1 4.571 0.030 . 1 . . . . . . . . 5880 1 32 . 1 1 6 6 SER C C 13 174.797 0.600 . 1 . . . . . . . . 5880 1 33 . 1 1 6 6 SER CB C 13 63.994 0.600 . 1 . . . . . . . . 5880 1 34 . 1 1 6 6 SER HB2 H 1 3.959 0.030 . 1 . . . . . . . . 5880 1 35 . 1 1 7 7 GLY H H 1 8.405 0.030 . 1 . . . . . . . . 5880 1 36 . 1 1 7 7 GLY N N 15 110.070 0.400 . 1 . . . . . . . . 5880 1 37 . 1 1 7 7 GLY CA C 13 45.207 0.600 . 1 . . . . . . . . 5880 1 38 . 1 1 7 7 GLY HA3 H 1 3.994 0.030 . 1 . . . . . . . . 5880 1 39 . 1 1 7 7 GLY C C 13 173.755 0.600 . 1 . . . . . . . . 5880 1 40 . 1 1 7 7 GLY HA2 H 1 4.109 0.030 . 1 . . . . . . . . 5880 1 41 . 1 1 8 8 THR H H 1 8.254 0.030 . 1 . . . . . . . . 5880 1 42 . 1 1 8 8 THR N N 15 111.935 0.400 . 1 . . . . . . . . 5880 1 43 . 1 1 8 8 THR CA C 13 59.170 0.600 . 1 . . . . . . . . 5880 1 44 . 1 1 8 8 THR HA H 1 4.775 0.030 . 1 . . . . . . . . 5880 1 45 . 1 1 8 8 THR CB C 13 69.380 0.600 . 1 . . . . . . . . 5880 1 46 . 1 1 8 8 THR CG2 C 13 22.240 0.600 . 1 . . . . . . . . 5880 1 47 . 1 1 8 8 THR HG21 H 1 1.360 0.030 . 1 . . . . . . . . 5880 1 48 . 1 1 8 8 THR HG22 H 1 1.360 0.030 . 1 . . . . . . . . 5880 1 49 . 1 1 8 8 THR HG23 H 1 1.360 0.030 . 1 . . . . . . . . 5880 1 50 . 1 1 9 9 PRO CA C 13 67.020 0.600 . 1 . . . . . . . . 5880 1 51 . 1 1 9 9 PRO HA H 1 4.254 0.030 . 1 . . . . . . . . 5880 1 52 . 1 1 9 9 PRO C C 13 178.617 0.600 . 1 . . . . . . . . 5880 1 53 . 1 1 9 9 PRO CB C 13 31.129 0.600 . 1 . . . . . . . . 5880 1 54 . 1 1 9 9 PRO HB2 H 1 0.981 0.030 . 1 . . . . . . . . 5880 1 55 . 1 1 9 9 PRO HB3 H 1 1.591 0.030 . 1 . . . . . . . . 5880 1 56 . 1 1 9 9 PRO CG C 13 28.503 0.600 . 1 . . . . . . . . 5880 1 57 . 1 1 9 9 PRO HG2 H 1 1.437 0.030 . 1 . . . . . . . . 5880 1 58 . 1 1 9 9 PRO CD C 13 49.954 0.600 . 1 . . . . . . . . 5880 1 59 . 1 1 9 9 PRO HD2 H 1 3.808 0.030 . 1 . . . . . . . . 5880 1 60 . 1 1 9 9 PRO HD3 H 1 3.476 0.030 . 1 . . . . . . . . 5880 1 61 . 1 1 10 10 LEU H H 1 8.817 0.030 . 1 . . . . . . . . 5880 1 62 . 1 1 10 10 LEU N N 15 116.511 0.400 . 1 . . . . . . . . 5880 1 63 . 1 1 10 10 LEU CA C 13 58.809 0.600 . 1 . . . . . . . . 5880 1 64 . 1 1 10 10 LEU HA H 1 4.529 0.030 . 1 . . . . . . . . 5880 1 65 . 1 1 10 10 LEU CB C 13 40.562 0.600 . 1 . . . . . . . . 5880 1 66 . 1 1 10 10 LEU HB2 H 1 1.927 0.030 . 1 . . . . . . . . 5880 1 67 . 1 1 10 10 LEU HB3 H 1 1.782 0.030 . 1 . . . . . . . . 5880 1 68 . 1 1 10 10 LEU CG C 13 27.527 0.600 . 1 . . . . . . . . 5880 1 69 . 1 1 10 10 LEU CD1 C 13 22.660 0.600 . 1 . . . . . . . . 5880 1 70 . 1 1 10 10 LEU HD11 H 1 1.377 0.030 . 1 . . . . . . . . 5880 1 71 . 1 1 10 10 LEU HD12 H 1 1.377 0.030 . 1 . . . . . . . . 5880 1 72 . 1 1 10 10 LEU HD13 H 1 1.377 0.030 . 1 . . . . . . . . 5880 1 73 . 1 1 10 10 LEU CD2 C 13 26.206 0.600 . 1 . . . . . . . . 5880 1 74 . 1 1 10 10 LEU HD21 H 1 1.157 0.030 . 1 . . . . . . . . 5880 1 75 . 1 1 10 10 LEU HD22 H 1 1.157 0.030 . 1 . . . . . . . . 5880 1 76 . 1 1 10 10 LEU HD23 H 1 1.157 0.030 . 1 . . . . . . . . 5880 1 77 . 1 1 10 10 LEU HG H 1 1.764 0.030 . 1 . . . . . . . . 5880 1 78 . 1 1 11 11 SER H H 1 8.307 0.030 . 1 . . . . . . . . 5880 1 79 . 1 1 11 11 SER N N 15 117.310 0.400 . 1 . . . . . . . . 5880 1 80 . 1 1 11 11 SER CA C 13 62.525 0.600 . 1 . . . . . . . . 5880 1 81 . 1 1 11 11 SER HA H 1 4.128 0.030 . 1 . . . . . . . . 5880 1 82 . 1 1 11 11 SER C C 13 176.992 0.600 . 1 . . . . . . . . 5880 1 83 . 1 1 11 11 SER CB C 13 62.775 0.600 . 1 . . . . . . . . 5880 1 84 . 1 1 11 11 SER HB2 H 1 3.962 0.030 . 1 . . . . . . . . 5880 1 85 . 1 1 12 12 LEU H H 1 9.136 0.030 . 1 . . . . . . . . 5880 1 86 . 1 1 12 12 LEU N N 15 123.377 0.400 . 1 . . . . . . . . 5880 1 87 . 1 1 12 12 LEU CA C 13 58.496 0.600 . 1 . . . . . . . . 5880 1 88 . 1 1 12 12 LEU HA H 1 4.277 0.030 . 1 . . . . . . . . 5880 1 89 . 1 1 12 12 LEU C C 13 180.784 0.600 . 1 . . . . . . . . 5880 1 90 . 1 1 12 12 LEU CB C 13 43.197 0.600 . 1 . . . . . . . . 5880 1 91 . 1 1 12 12 LEU HB2 H 1 2.430 0.030 . 1 . . . . . . . . 5880 1 92 . 1 1 12 12 LEU HB3 H 1 1.833 0.030 . 1 . . . . . . . . 5880 1 93 . 1 1 12 12 LEU CG C 13 27.362 0.600 . 1 . . . . . . . . 5880 1 94 . 1 1 12 12 LEU CD1 C 13 24.150 0.600 . 1 . . . . . . . . 5880 1 95 . 1 1 12 12 LEU HD11 H 1 1.241 0.030 . 1 . . . . . . . . 5880 1 96 . 1 1 12 12 LEU HD12 H 1 1.241 0.030 . 1 . . . . . . . . 5880 1 97 . 1 1 12 12 LEU HD13 H 1 1.241 0.030 . 1 . . . . . . . . 5880 1 98 . 1 1 12 12 LEU CD2 C 13 25.926 0.600 . 1 . . . . . . . . 5880 1 99 . 1 1 12 12 LEU HD21 H 1 1.254 0.030 . 1 . . . . . . . . 5880 1 100 . 1 1 12 12 LEU HD22 H 1 1.254 0.030 . 1 . . . . . . . . 5880 1 101 . 1 1 12 12 LEU HD23 H 1 1.254 0.030 . 1 . . . . . . . . 5880 1 102 . 1 1 12 12 LEU HG H 1 1.920 0.030 . 1 . . . . . . . . 5880 1 103 . 1 1 13 13 THR H H 1 8.693 0.030 . 1 . . . . . . . . 5880 1 104 . 1 1 13 13 THR N N 15 110.607 0.400 . 1 . . . . . . . . 5880 1 105 . 1 1 13 13 THR CA C 13 66.073 0.600 . 1 . . . . . . . . 5880 1 106 . 1 1 13 13 THR HA H 1 4.076 0.030 . 1 . . . . . . . . 5880 1 107 . 1 1 13 13 THR C C 13 176.257 0.600 . 1 . . . . . . . . 5880 1 108 . 1 1 13 13 THR CB C 13 68.943 0.600 . 1 . . . . . . . . 5880 1 109 . 1 1 13 13 THR HB H 1 4.231 0.030 . 1 . . . . . . . . 5880 1 110 . 1 1 13 13 THR CG2 C 13 23.149 0.600 . 1 . . . . . . . . 5880 1 111 . 1 1 13 13 THR HG21 H 1 1.593 0.030 . 1 . . . . . . . . 5880 1 112 . 1 1 13 13 THR HG22 H 1 1.593 0.030 . 1 . . . . . . . . 5880 1 113 . 1 1 13 13 THR HG23 H 1 1.593 0.030 . 1 . . . . . . . . 5880 1 114 . 1 1 14 14 LEU H H 1 7.927 0.030 . 1 . . . . . . . . 5880 1 115 . 1 1 14 14 LEU N N 15 120.710 0.400 . 1 . . . . . . . . 5880 1 116 . 1 1 14 14 LEU CA C 13 58.107 0.600 . 1 . . . . . . . . 5880 1 117 . 1 1 14 14 LEU HA H 1 4.235 0.030 . 1 . . . . . . . . 5880 1 118 . 1 1 14 14 LEU C C 13 180.597 0.600 . 1 . . . . . . . . 5880 1 119 . 1 1 14 14 LEU CB C 13 41.063 0.600 . 1 . . . . . . . . 5880 1 120 . 1 1 14 14 LEU HB2 H 1 2.029 0.030 . 1 . . . . . . . . 5880 1 121 . 1 1 14 14 LEU HB3 H 1 1.408 0.030 . 1 . . . . . . . . 5880 1 122 . 1 1 14 14 LEU CG C 13 27.087 0.600 . 1 . . . . . . . . 5880 1 123 . 1 1 14 14 LEU CD1 C 13 23.067 0.600 . 1 . . . . . . . . 5880 1 124 . 1 1 14 14 LEU HD11 H 1 0.680 0.030 . 1 . . . . . . . . 5880 1 125 . 1 1 14 14 LEU HD12 H 1 0.680 0.030 . 1 . . . . . . . . 5880 1 126 . 1 1 14 14 LEU HD13 H 1 0.680 0.030 . 1 . . . . . . . . 5880 1 127 . 1 1 14 14 LEU CD2 C 13 26.135 0.600 . 1 . . . . . . . . 5880 1 128 . 1 1 14 14 LEU HD21 H 1 0.912 0.030 . 1 . . . . . . . . 5880 1 129 . 1 1 14 14 LEU HD22 H 1 0.912 0.030 . 1 . . . . . . . . 5880 1 130 . 1 1 14 14 LEU HD23 H 1 0.912 0.030 . 1 . . . . . . . . 5880 1 131 . 1 1 14 14 LEU HG H 1 2.044 0.030 . 1 . . . . . . . . 5880 1 132 . 1 1 15 15 ASP H H 1 8.445 0.030 . 1 . . . . . . . . 5880 1 133 . 1 1 15 15 ASP N N 15 120.735 0.400 . 1 . . . . . . . . 5880 1 134 . 1 1 15 15 ASP CA C 13 56.319 0.600 . 1 . . . . . . . . 5880 1 135 . 1 1 15 15 ASP HA H 1 4.440 0.030 . 1 . . . . . . . . 5880 1 136 . 1 1 15 15 ASP C C 13 177.205 0.600 . 1 . . . . . . . . 5880 1 137 . 1 1 15 15 ASP CB C 13 40.647 0.600 . 1 . . . . . . . . 5880 1 138 . 1 1 15 15 ASP HB2 H 1 2.719 0.030 . 1 . . . . . . . . 5880 1 139 . 1 1 15 15 ASP HB3 H 1 2.372 0.030 . 1 . . . . . . . . 5880 1 140 . 1 1 16 16 HIS H H 1 7.406 0.030 . 1 . . . . . . . . 5880 1 141 . 1 1 16 16 HIS N N 15 117.613 0.400 . 1 . . . . . . . . 5880 1 142 . 1 1 16 16 HIS CA C 13 54.485 0.600 . 1 . . . . . . . . 5880 1 143 . 1 1 16 16 HIS HA H 1 4.645 0.030 . 1 . . . . . . . . 5880 1 144 . 1 1 16 16 HIS C C 13 175.157 0.600 . 1 . . . . . . . . 5880 1 145 . 1 1 16 16 HIS CB C 13 27.452 0.600 . 1 . . . . . . . . 5880 1 146 . 1 1 16 16 HIS HB2 H 1 3.009 0.030 . 1 . . . . . . . . 5880 1 147 . 1 1 16 16 HIS HB3 H 1 1.949 0.030 . 1 . . . . . . . . 5880 1 148 . 1 1 16 16 HIS CD2 C 13 119.611 0.600 . 1 . . . . . . . . 5880 1 149 . 1 1 16 16 HIS HD2 H 1 6.735 0.030 . 1 . . . . . . . . 5880 1 150 . 1 1 16 16 HIS CE1 C 13 134.151 0.600 . 1 . . . . . . . . 5880 1 151 . 1 1 16 16 HIS HE1 H 1 8.129 0.030 . 1 . . . . . . . . 5880 1 152 . 1 1 17 17 TRP H H 1 7.145 0.030 . 1 . . . . . . . . 5880 1 153 . 1 1 17 17 TRP N N 15 120.735 0.400 . 1 . . . . . . . . 5880 1 154 . 1 1 17 17 TRP CA C 13 60.276 0.600 . 1 . . . . . . . . 5880 1 155 . 1 1 17 17 TRP HA H 1 4.237 0.030 . 1 . . . . . . . . 5880 1 156 . 1 1 17 17 TRP C C 13 176.737 0.600 . 1 . . . . . . . . 5880 1 157 . 1 1 17 17 TRP CB C 13 29.858 0.600 . 1 . . . . . . . . 5880 1 158 . 1 1 17 17 TRP HB2 H 1 3.636 0.030 . 1 . . . . . . . . 5880 1 159 . 1 1 17 17 TRP HB3 H 1 3.054 0.030 . 1 . . . . . . . . 5880 1 160 . 1 1 17 17 TRP CD1 C 13 125.779 0.600 . 1 . . . . . . . . 5880 1 161 . 1 1 17 17 TRP HD1 H 1 7.069 0.030 . 1 . . . . . . . . 5880 1 162 . 1 1 17 17 TRP NE1 N 15 126.606 0.400 . 1 . . . . . . . . 5880 1 163 . 1 1 17 17 TRP HE1 H 1 9.961 0.030 . 1 . . . . . . . . 5880 1 164 . 1 1 17 17 TRP CE3 C 13 120.051 0.600 . 1 . . . . . . . . 5880 1 165 . 1 1 17 17 TRP HE3 H 1 7.014 0.030 . 1 . . . . . . . . 5880 1 166 . 1 1 17 17 TRP CZ2 C 13 112.561 0.600 . 1 . . . . . . . . 5880 1 167 . 1 1 17 17 TRP HZ2 H 1 6.930 0.030 . 1 . . . . . . . . 5880 1 168 . 1 1 17 17 TRP CZ3 C 13 121.373 0.600 . 1 . . . . . . . . 5880 1 169 . 1 1 17 17 TRP HZ3 H 1 5.169 0.030 . 1 . . . . . . . . 5880 1 170 . 1 1 17 17 TRP CH2 C 13 124.017 0.600 . 1 . . . . . . . . 5880 1 171 . 1 1 17 17 TRP HH2 H 1 6.426 0.030 . 1 . . . . . . . . 5880 1 172 . 1 1 18 18 SER H H 1 8.747 0.030 . 1 . . . . . . . . 5880 1 173 . 1 1 18 18 SER N N 15 111.845 0.400 . 1 . . . . . . . . 5880 1 174 . 1 1 18 18 SER CA C 13 62.075 0.600 . 1 . . . . . . . . 5880 1 175 . 1 1 18 18 SER HA H 1 3.888 0.030 . 1 . . . . . . . . 5880 1 176 . 1 1 18 18 SER C C 13 177.320 0.600 . 1 . . . . . . . . 5880 1 177 . 1 1 18 18 SER CB C 13 61.893 0.600 . 1 . . . . . . . . 5880 1 178 . 1 1 18 18 SER HB2 H 1 3.905 0.030 . 1 . . . . . . . . 5880 1 179 . 1 1 19 19 GLU H H 1 7.720 0.030 . 1 . . . . . . . . 5880 1 180 . 1 1 19 19 GLU N N 15 122.116 0.400 . 1 . . . . . . . . 5880 1 181 . 1 1 19 19 GLU CA C 13 58.868 0.600 . 1 . . . . . . . . 5880 1 182 . 1 1 19 19 GLU HA H 1 4.176 0.030 . 1 . . . . . . . . 5880 1 183 . 1 1 19 19 GLU C C 13 178.846 0.600 . 1 . . . . . . . . 5880 1 184 . 1 1 19 19 GLU CB C 13 30.094 0.600 . 1 . . . . . . . . 5880 1 185 . 1 1 19 19 GLU HB2 H 1 2.355 0.030 . 1 . . . . . . . . 5880 1 186 . 1 1 19 19 GLU CG C 13 36.780 0.600 . 1 . . . . . . . . 5880 1 187 . 1 1 19 19 GLU HG2 H 1 2.380 0.030 . 1 . . . . . . . . 5880 1 188 . 1 1 20 20 ILE H H 1 7.514 0.030 . 1 . . . . . . . . 5880 1 189 . 1 1 20 20 ILE N N 15 122.502 0.400 . 1 . . . . . . . . 5880 1 190 . 1 1 20 20 ILE CA C 13 64.229 0.600 . 1 . . . . . . . . 5880 1 191 . 1 1 20 20 ILE HA H 1 3.260 0.030 . 1 . . . . . . . . 5880 1 192 . 1 1 20 20 ILE C C 13 177.522 0.600 . 1 . . . . . . . . 5880 1 193 . 1 1 20 20 ILE CB C 13 35.124 0.600 . 1 . . . . . . . . 5880 1 194 . 1 1 20 20 ILE HB H 1 1.023 0.030 . 1 . . . . . . . . 5880 1 195 . 1 1 20 20 ILE CG2 C 13 17.815 0.600 . 1 . . . . . . . . 5880 1 196 . 1 1 20 20 ILE CG1 C 13 28.636 0.600 . 1 . . . . . . . . 5880 1 197 . 1 1 20 20 ILE HG12 H 1 1.032 0.030 . 1 . . . . . . . . 5880 1 198 . 1 1 20 20 ILE HG13 H 1 1.147 0.030 . 1 . . . . . . . . 5880 1 199 . 1 1 20 20 ILE CD1 C 13 12.692 0.600 . 1 . . . . . . . . 5880 1 200 . 1 1 20 20 ILE HD11 H 1 0.594 0.030 . 1 . . . . . . . . 5880 1 201 . 1 1 20 20 ILE HD12 H 1 0.594 0.030 . 1 . . . . . . . . 5880 1 202 . 1 1 20 20 ILE HD13 H 1 0.594 0.030 . 1 . . . . . . . . 5880 1 203 . 1 1 20 20 ILE HG21 H 1 -0.352 0.030 . 1 . . . . . . . . 5880 1 204 . 1 1 20 20 ILE HG22 H 1 -0.352 0.030 . 1 . . . . . . . . 5880 1 205 . 1 1 20 20 ILE HG23 H 1 -0.352 0.030 . 1 . . . . . . . . 5880 1 206 . 1 1 21 21 ARG H H 1 8.154 0.030 . 1 . . . . . . . . 5880 1 207 . 1 1 21 21 ARG N N 15 119.191 0.400 . 1 . . . . . . . . 5880 1 208 . 1 1 21 21 ARG CA C 13 59.322 0.600 . 1 . . . . . . . . 5880 1 209 . 1 1 21 21 ARG HA H 1 3.367 0.030 . 1 . . . . . . . . 5880 1 210 . 1 1 21 21 ARG CB C 13 29.172 0.600 . 1 . . . . . . . . 5880 1 211 . 1 1 21 21 ARG HB2 H 1 1.517 0.030 . 1 . . . . . . . . 5880 1 212 . 1 1 21 21 ARG HB3 H 1 1.269 0.030 . 1 . . . . . . . . 5880 1 213 . 1 1 21 21 ARG CG C 13 27.014 0.600 . 1 . . . . . . . . 5880 1 214 . 1 1 21 21 ARG HG2 H 1 1.064 0.030 . 1 . . . . . . . . 5880 1 215 . 1 1 21 21 ARG HG3 H 1 1.244 0.030 . 1 . . . . . . . . 5880 1 216 . 1 1 21 21 ARG CD C 13 43.544 0.600 . 1 . . . . . . . . 5880 1 217 . 1 1 21 21 ARG HD2 H 1 3.188 0.030 . 1 . . . . . . . . 5880 1 218 . 1 1 21 21 ARG HD3 H 1 3.288 0.030 . 1 . . . . . . . . 5880 1 219 . 1 1 21 21 ARG HE H 1 7.074 0.030 . 1 . . . . . . . . 5880 1 220 . 1 1 22 22 SER H H 1 7.525 0.030 . 1 . . . . . . . . 5880 1 221 . 1 1 22 22 SER N N 15 115.426 0.400 . 1 . . . . . . . . 5880 1 222 . 1 1 22 22 SER CA C 13 61.757 0.600 . 1 . . . . . . . . 5880 1 223 . 1 1 22 22 SER HA H 1 4.203 0.030 . 1 . . . . . . . . 5880 1 224 . 1 1 22 22 SER C C 13 176.886 0.600 . 1 . . . . . . . . 5880 1 225 . 1 1 22 22 SER CB C 13 62.334 0.600 . 1 . . . . . . . . 5880 1 226 . 1 1 22 22 SER HB2 H 1 3.985 0.030 . 1 . . . . . . . . 5880 1 227 . 1 1 23 23 ARG H H 1 7.949 0.030 . 1 . . . . . . . . 5880 1 228 . 1 1 23 23 ARG N N 15 122.220 0.400 . 1 . . . . . . . . 5880 1 229 . 1 1 23 23 ARG CA C 13 58.369 0.600 . 1 . . . . . . . . 5880 1 230 . 1 1 23 23 ARG HA H 1 4.071 0.030 . 1 . . . . . . . . 5880 1 231 . 1 1 23 23 ARG C C 13 174.111 0.600 . 1 . . . . . . . . 5880 1 232 . 1 1 23 23 ARG CB C 13 29.290 0.600 . 1 . . . . . . . . 5880 1 233 . 1 1 23 23 ARG HB2 H 1 1.940 0.030 . 1 . . . . . . . . 5880 1 234 . 1 1 23 23 ARG CG C 13 27.931 0.600 . 1 . . . . . . . . 5880 1 235 . 1 1 23 23 ARG HG2 H 1 1.707 0.030 . 1 . . . . . . . . 5880 1 236 . 1 1 23 23 ARG CD C 13 42.375 0.600 . 1 . . . . . . . . 5880 1 237 . 1 1 23 23 ARG HD2 H 1 3.248 0.030 . 1 . . . . . . . . 5880 1 238 . 1 1 23 23 ARG HD3 H 1 3.148 0.030 . 1 . . . . . . . . 5880 1 239 . 1 1 23 23 ARG NE N 15 84.533 0.400 . 1 . . . . . . . . 5880 1 240 . 1 1 23 23 ARG HE H 1 7.777 0.030 . 1 . . . . . . . . 5880 1 241 . 1 1 23 23 ARG HH11 H 1 7.125 0.030 . 1 . . . . . . . . 5880 1 242 . 1 1 23 23 ARG HH12 H 1 7.190 0.030 . 1 . . . . . . . . 5880 1 243 . 1 1 23 23 ARG HH21 H 1 6.447 0.030 . 1 . . . . . . . . 5880 1 244 . 1 1 24 24 ALA H H 1 8.421 0.030 . 1 . . . . . . . . 5880 1 245 . 1 1 24 24 ALA N N 15 120.909 0.400 . 1 . . . . . . . . 5880 1 246 . 1 1 24 24 ALA CA C 13 55.098 0.600 . 1 . . . . . . . . 5880 1 247 . 1 1 24 24 ALA HA H 1 3.766 0.030 . 1 . . . . . . . . 5880 1 248 . 1 1 24 24 ALA C C 13 179.251 0.600 . 1 . . . . . . . . 5880 1 249 . 1 1 24 24 ALA CB C 13 18.264 0.600 . 1 . . . . . . . . 5880 1 250 . 1 1 24 24 ALA HB1 H 1 1.345 0.030 . 1 . . . . . . . . 5880 1 251 . 1 1 24 24 ALA HB2 H 1 1.345 0.030 . 1 . . . . . . . . 5880 1 252 . 1 1 24 24 ALA HB3 H 1 1.345 0.030 . 1 . . . . . . . . 5880 1 253 . 1 1 25 25 HIS H H 1 8.128 0.030 . 1 . . . . . . . . 5880 1 254 . 1 1 25 25 HIS N N 15 117.331 0.400 . 1 . . . . . . . . 5880 1 255 . 1 1 25 25 HIS CA C 13 58.891 0.600 . 1 . . . . . . . . 5880 1 256 . 1 1 25 25 HIS HA H 1 4.516 0.030 . 1 . . . . . . . . 5880 1 257 . 1 1 25 25 HIS C C 13 179.137 0.600 . 1 . . . . . . . . 5880 1 258 . 1 1 25 25 HIS CB C 13 28.253 0.600 . 1 . . . . . . . . 5880 1 259 . 1 1 25 25 HIS HB2 H 1 3.431 0.030 . 1 . . . . . . . . 5880 1 260 . 1 1 25 25 HIS HB3 H 1 3.362 0.030 . 1 . . . . . . . . 5880 1 261 . 1 1 25 25 HIS CD2 C 13 120.057 0.600 . 1 . . . . . . . . 5880 1 262 . 1 1 25 25 HIS HD2 H 1 7.360 0.030 . 1 . . . . . . . . 5880 1 263 . 1 1 26 26 ASN H H 1 8.106 0.030 . 1 . . . . . . . . 5880 1 264 . 1 1 26 26 ASN N N 15 120.243 0.400 . 1 . . . . . . . . 5880 1 265 . 1 1 26 26 ASN CA C 13 55.754 0.600 . 1 . . . . . . . . 5880 1 266 . 1 1 26 26 ASN HA H 1 4.484 0.030 . 1 . . . . . . . . 5880 1 267 . 1 1 26 26 ASN C C 13 176.599 0.600 . 1 . . . . . . . . 5880 1 268 . 1 1 26 26 ASN CB C 13 38.024 0.600 . 1 . . . . . . . . 5880 1 269 . 1 1 26 26 ASN HB2 H 1 2.936 0.030 . 1 . . . . . . . . 5880 1 270 . 1 1 26 26 ASN HB3 H 1 3.013 0.030 . 1 . . . . . . . . 5880 1 271 . 1 1 26 26 ASN ND2 N 15 112.259 0.400 . 1 . . . . . . . . 5880 1 272 . 1 1 26 26 ASN HD21 H 1 6.921 0.030 . 1 . . . . . . . . 5880 1 273 . 1 1 26 26 ASN HD22 H 1 7.687 0.030 . 1 . . . . . . . . 5880 1 274 . 1 1 27 27 LEU H H 1 7.702 0.030 . 1 . . . . . . . . 5880 1 275 . 1 1 27 27 LEU N N 15 120.307 0.400 . 1 . . . . . . . . 5880 1 276 . 1 1 27 27 LEU CA C 13 54.829 0.600 . 1 . . . . . . . . 5880 1 277 . 1 1 27 27 LEU HA H 1 4.342 0.030 . 1 . . . . . . . . 5880 1 278 . 1 1 27 27 LEU C C 13 175.435 0.600 . 1 . . . . . . . . 5880 1 279 . 1 1 27 27 LEU CB C 13 42.507 0.600 . 1 . . . . . . . . 5880 1 280 . 1 1 27 27 LEU HB2 H 1 1.684 0.030 . 1 . . . . . . . . 5880 1 281 . 1 1 27 27 LEU HB3 H 1 1.799 0.030 . 1 . . . . . . . . 5880 1 282 . 1 1 27 27 LEU CG C 13 26.710 0.600 . 1 . . . . . . . . 5880 1 283 . 1 1 27 27 LEU CD1 C 13 26.093 0.600 . 1 . . . . . . . . 5880 1 284 . 1 1 27 27 LEU HD11 H 1 0.769 0.030 . 1 . . . . . . . . 5880 1 285 . 1 1 27 27 LEU HD12 H 1 0.769 0.030 . 1 . . . . . . . . 5880 1 286 . 1 1 27 27 LEU HD13 H 1 0.769 0.030 . 1 . . . . . . . . 5880 1 287 . 1 1 27 27 LEU CD2 C 13 22.199 0.600 . 1 . . . . . . . . 5880 1 288 . 1 1 27 27 LEU HD21 H 1 0.823 0.030 . 1 . . . . . . . . 5880 1 289 . 1 1 27 27 LEU HD22 H 1 0.823 0.030 . 1 . . . . . . . . 5880 1 290 . 1 1 27 27 LEU HD23 H 1 0.823 0.030 . 1 . . . . . . . . 5880 1 291 . 1 1 27 27 LEU HG H 1 1.755 0.030 . 1 . . . . . . . . 5880 1 292 . 1 1 28 28 SER H H 1 7.878 0.030 . 1 . . . . . . . . 5880 1 293 . 1 1 28 28 SER N N 15 112.280 0.400 . 1 . . . . . . . . 5880 1 294 . 1 1 28 28 SER CA C 13 58.876 0.600 . 1 . . . . . . . . 5880 1 295 . 1 1 28 28 SER HA H 1 4.021 0.030 . 1 . . . . . . . . 5880 1 296 . 1 1 28 28 SER C C 13 174.227 0.600 . 1 . . . . . . . . 5880 1 297 . 1 1 28 28 SER CB C 13 61.599 0.600 . 1 . . . . . . . . 5880 1 298 . 1 1 28 28 SER HB2 H 1 4.055 0.030 . 1 . . . . . . . . 5880 1 299 . 1 1 29 29 VAL H H 1 7.976 0.030 . 1 . . . . . . . . 5880 1 300 . 1 1 29 29 VAL N N 15 111.564 0.400 . 1 . . . . . . . . 5880 1 301 . 1 1 29 29 VAL CA C 13 58.742 0.600 . 1 . . . . . . . . 5880 1 302 . 1 1 29 29 VAL HA H 1 4.782 0.030 . 1 . . . . . . . . 5880 1 303 . 1 1 29 29 VAL C C 13 174.246 0.600 . 1 . . . . . . . . 5880 1 304 . 1 1 29 29 VAL CB C 13 35.388 0.600 . 1 . . . . . . . . 5880 1 305 . 1 1 29 29 VAL HB H 1 2.088 0.030 . 1 . . . . . . . . 5880 1 306 . 1 1 29 29 VAL CG1 C 13 21.647 0.600 . 1 . . . . . . . . 5880 1 307 . 1 1 29 29 VAL HG11 H 1 0.925 0.030 . 1 . . . . . . . . 5880 1 308 . 1 1 29 29 VAL HG12 H 1 0.925 0.030 . 1 . . . . . . . . 5880 1 309 . 1 1 29 29 VAL HG13 H 1 0.925 0.030 . 1 . . . . . . . . 5880 1 310 . 1 1 29 29 VAL CG2 C 13 18.420 0.600 . 1 . . . . . . . . 5880 1 311 . 1 1 29 29 VAL HG21 H 1 0.712 0.030 . 1 . . . . . . . . 5880 1 312 . 1 1 29 29 VAL HG22 H 1 0.712 0.030 . 1 . . . . . . . . 5880 1 313 . 1 1 29 29 VAL HG23 H 1 0.712 0.030 . 1 . . . . . . . . 5880 1 314 . 1 1 30 30 GLU H H 1 8.324 0.030 . 1 . . . . . . . . 5880 1 315 . 1 1 30 30 GLU N N 15 121.993 0.400 . 1 . . . . . . . . 5880 1 316 . 1 1 30 30 GLU CA C 13 54.905 0.600 . 1 . . . . . . . . 5880 1 317 . 1 1 30 30 GLU HA H 1 4.732 0.030 . 1 . . . . . . . . 5880 1 318 . 1 1 30 30 GLU C C 13 175.131 0.600 . 1 . . . . . . . . 5880 1 319 . 1 1 30 30 GLU CB C 13 31.412 0.600 . 1 . . . . . . . . 5880 1 320 . 1 1 30 30 GLU HB2 H 1 1.954 0.030 . 1 . . . . . . . . 5880 1 321 . 1 1 30 30 GLU HB3 H 1 1.873 0.030 . 1 . . . . . . . . 5880 1 322 . 1 1 30 30 GLU CG C 13 36.083 0.600 . 1 . . . . . . . . 5880 1 323 . 1 1 30 30 GLU HG2 H 1 2.185 0.030 . 1 . . . . . . . . 5880 1 324 . 1 1 31 31 ILE H H 1 7.960 0.030 . 1 . . . . . . . . 5880 1 325 . 1 1 31 31 ILE N N 15 118.541 0.400 . 1 . . . . . . . . 5880 1 326 . 1 1 31 31 ILE CA C 13 58.984 0.600 . 1 . . . . . . . . 5880 1 327 . 1 1 31 31 ILE HA H 1 4.652 0.030 . 1 . . . . . . . . 5880 1 328 . 1 1 31 31 ILE C C 13 174.352 0.600 . 1 . . . . . . . . 5880 1 329 . 1 1 31 31 ILE CB C 13 42.401 0.600 . 1 . . . . . . . . 5880 1 330 . 1 1 31 31 ILE HB H 1 1.782 0.030 . 1 . . . . . . . . 5880 1 331 . 1 1 31 31 ILE CG2 C 13 18.177 0.600 . 1 . . . . . . . . 5880 1 332 . 1 1 31 31 ILE CG1 C 13 25.324 0.600 . 1 . . . . . . . . 5880 1 333 . 1 1 31 31 ILE HG12 H 1 1.223 0.030 . 1 . . . . . . . . 5880 1 334 . 1 1 31 31 ILE HG13 H 1 0.797 0.030 . 1 . . . . . . . . 5880 1 335 . 1 1 31 31 ILE CD1 C 13 13.881 0.600 . 1 . . . . . . . . 5880 1 336 . 1 1 31 31 ILE HD11 H 1 0.286 0.030 . 1 . . . . . . . . 5880 1 337 . 1 1 31 31 ILE HD12 H 1 0.286 0.030 . 1 . . . . . . . . 5880 1 338 . 1 1 31 31 ILE HD13 H 1 0.286 0.030 . 1 . . . . . . . . 5880 1 339 . 1 1 31 31 ILE HG21 H 1 0.352 0.030 . 1 . . . . . . . . 5880 1 340 . 1 1 31 31 ILE HG22 H 1 0.352 0.030 . 1 . . . . . . . . 5880 1 341 . 1 1 31 31 ILE HG23 H 1 0.352 0.030 . 1 . . . . . . . . 5880 1 342 . 1 1 32 32 LYS H H 1 8.753 0.030 . 1 . . . . . . . . 5880 1 343 . 1 1 32 32 LYS N N 15 121.667 0.400 . 1 . . . . . . . . 5880 1 344 . 1 1 32 32 LYS CA C 13 55.046 0.600 . 1 . . . . . . . . 5880 1 345 . 1 1 32 32 LYS HA H 1 5.148 0.030 . 1 . . . . . . . . 5880 1 346 . 1 1 32 32 LYS C C 13 176.592 0.600 . 1 . . . . . . . . 5880 1 347 . 1 1 32 32 LYS CB C 13 36.774 0.600 . 1 . . . . . . . . 5880 1 348 . 1 1 32 32 LYS HB2 H 1 2.204 0.030 . 1 . . . . . . . . 5880 1 349 . 1 1 32 32 LYS HB3 H 1 1.692 0.030 . 1 . . . . . . . . 5880 1 350 . 1 1 32 32 LYS CG C 13 25.563 0.600 . 1 . . . . . . . . 5880 1 351 . 1 1 32 32 LYS HG2 H 1 1.566 0.030 . 1 . . . . . . . . 5880 1 352 . 1 1 32 32 LYS CD C 13 29.344 0.600 . 1 . . . . . . . . 5880 1 353 . 1 1 32 32 LYS HD2 H 1 1.761 0.030 . 1 . . . . . . . . 5880 1 354 . 1 1 32 32 LYS HD3 H 1 1.848 0.030 . 1 . . . . . . . . 5880 1 355 . 1 1 32 32 LYS CE C 13 42.412 0.600 . 1 . . . . . . . . 5880 1 356 . 1 1 32 32 LYS HE2 H 1 3.047 0.030 . 1 . . . . . . . . 5880 1 357 . 1 1 33 33 LYS H H 1 8.598 0.030 . 1 . . . . . . . . 5880 1 358 . 1 1 33 33 LYS N N 15 124.160 0.400 . 1 . . . . . . . . 5880 1 359 . 1 1 33 33 LYS CA C 13 60.453 0.600 . 1 . . . . . . . . 5880 1 360 . 1 1 33 33 LYS HA H 1 3.058 0.030 . 1 . . . . . . . . 5880 1 361 . 1 1 33 33 LYS C C 13 178.324 0.600 . 1 . . . . . . . . 5880 1 362 . 1 1 33 33 LYS CB C 13 33.171 0.600 . 1 . . . . . . . . 5880 1 363 . 1 1 33 33 LYS HB2 H 1 1.076 0.030 . 1 . . . . . . . . 5880 1 364 . 1 1 33 33 LYS HB3 H 1 0.887 0.030 . 1 . . . . . . . . 5880 1 365 . 1 1 33 33 LYS CG C 13 24.884 0.600 . 1 . . . . . . . . 5880 1 366 . 1 1 33 33 LYS HG2 H 1 0.156 0.030 . 1 . . . . . . . . 5880 1 367 . 1 1 33 33 LYS HG3 H 1 -0.044 0.030 . 1 . . . . . . . . 5880 1 368 . 1 1 33 33 LYS CD C 13 29.372 0.600 . 1 . . . . . . . . 5880 1 369 . 1 1 33 33 LYS HD2 H 1 1.031 0.030 . 1 . . . . . . . . 5880 1 370 . 1 1 33 33 LYS CE C 13 41.381 0.600 . 1 . . . . . . . . 5880 1 371 . 1 1 33 33 LYS HE2 H 1 2.238 0.030 . 1 . . . . . . . . 5880 1 372 . 1 1 33 33 LYS HE3 H 1 2.119 0.030 . 1 . . . . . . . . 5880 1 373 . 1 1 34 34 GLY H H 1 8.678 0.030 . 1 . . . . . . . . 5880 1 374 . 1 1 34 34 GLY N N 15 106.426 0.400 . 1 . . . . . . . . 5880 1 375 . 1 1 34 34 GLY CA C 13 48.002 0.600 . 1 . . . . . . . . 5880 1 376 . 1 1 34 34 GLY HA3 H 1 3.761 0.030 . 1 . . . . . . . . 5880 1 377 . 1 1 34 34 GLY HA2 H 1 3.901 0.030 . 1 . . . . . . . . 5880 1 378 . 1 1 35 35 PRO CA C 13 64.023 0.600 . 1 . . . . . . . . 5880 1 379 . 1 1 35 35 PRO HA H 1 3.493 0.030 . 1 . . . . . . . . 5880 1 380 . 1 1 35 35 PRO C C 13 175.918 0.600 . 1 . . . . . . . . 5880 1 381 . 1 1 35 35 PRO CB C 13 31.066 0.600 . 1 . . . . . . . . 5880 1 382 . 1 1 35 35 PRO HB2 H 1 1.416 0.030 . 1 . . . . . . . . 5880 1 383 . 1 1 35 35 PRO HB3 H 1 1.647 0.030 . 1 . . . . . . . . 5880 1 384 . 1 1 35 35 PRO CG C 13 27.907 0.600 . 1 . . . . . . . . 5880 1 385 . 1 1 35 35 PRO HG2 H 1 1.653 0.030 . 1 . . . . . . . . 5880 1 386 . 1 1 35 35 PRO HG3 H 1 2.008 0.030 . 1 . . . . . . . . 5880 1 387 . 1 1 35 35 PRO CD C 13 50.879 0.600 . 1 . . . . . . . . 5880 1 388 . 1 1 35 35 PRO HD2 H 1 3.538 0.030 . 1 . . . . . . . . 5880 1 389 . 1 1 36 36 TRP H H 1 7.691 0.030 . 1 . . . . . . . . 5880 1 390 . 1 1 36 36 TRP N N 15 116.236 0.400 . 1 . . . . . . . . 5880 1 391 . 1 1 36 36 TRP CA C 13 61.124 0.600 . 1 . . . . . . . . 5880 1 392 . 1 1 36 36 TRP HA H 1 4.289 0.030 . 1 . . . . . . . . 5880 1 393 . 1 1 36 36 TRP C C 13 179.315 0.600 . 1 . . . . . . . . 5880 1 394 . 1 1 36 36 TRP CB C 13 29.747 0.600 . 1 . . . . . . . . 5880 1 395 . 1 1 36 36 TRP HB2 H 1 3.665 0.030 . 1 . . . . . . . . 5880 1 396 . 1 1 36 36 TRP HB3 H 1 3.833 0.030 . 1 . . . . . . . . 5880 1 397 . 1 1 36 36 TRP CD1 C 13 126.220 0.600 . 1 . . . . . . . . 5880 1 398 . 1 1 36 36 TRP HD1 H 1 6.828 0.030 . 1 . . . . . . . . 5880 1 399 . 1 1 36 36 TRP NE1 N 15 128.200 0.400 . 1 . . . . . . . . 5880 1 400 . 1 1 36 36 TRP HE1 H 1 10.395 0.030 . 1 . . . . . . . . 5880 1 401 . 1 1 36 36 TRP CE3 C 13 120.200 0.600 . 1 . . . . . . . . 5880 1 402 . 1 1 36 36 TRP HE3 H 1 8.010 0.030 . 1 . . . . . . . . 5880 1 403 . 1 1 36 36 TRP CZ2 C 13 113.443 0.600 . 1 . . . . . . . . 5880 1 404 . 1 1 36 36 TRP HZ2 H 1 6.181 0.030 . 1 . . . . . . . . 5880 1 405 . 1 1 36 36 TRP CZ3 C 13 120.933 0.600 . 1 . . . . . . . . 5880 1 406 . 1 1 36 36 TRP HZ3 H 1 7.015 0.030 . 1 . . . . . . . . 5880 1 407 . 1 1 36 36 TRP CH2 C 13 123.576 0.600 . 1 . . . . . . . . 5880 1 408 . 1 1 36 36 TRP HH2 H 1 6.181 0.030 . 1 . . . . . . . . 5880 1 409 . 1 1 37 37 ARG H H 1 7.862 0.030 . 1 . . . . . . . . 5880 1 410 . 1 1 37 37 ARG N N 15 117.378 0.400 . 1 . . . . . . . . 5880 1 411 . 1 1 37 37 ARG CA C 13 59.767 0.600 . 1 . . . . . . . . 5880 1 412 . 1 1 37 37 ARG HA H 1 4.099 0.030 . 1 . . . . . . . . 5880 1 413 . 1 1 37 37 ARG C C 13 177.095 0.600 . 1 . . . . . . . . 5880 1 414 . 1 1 37 37 ARG CB C 13 30.613 0.600 . 1 . . . . . . . . 5880 1 415 . 1 1 37 37 ARG HB2 H 1 2.117 0.030 . 1 . . . . . . . . 5880 1 416 . 1 1 37 37 ARG HB3 H 1 1.966 0.030 . 1 . . . . . . . . 5880 1 417 . 1 1 37 37 ARG CG C 13 27.968 0.600 . 1 . . . . . . . . 5880 1 418 . 1 1 37 37 ARG HG2 H 1 1.794 0.030 . 1 . . . . . . . . 5880 1 419 . 1 1 37 37 ARG HG3 H 1 1.612 0.030 . 1 . . . . . . . . 5880 1 420 . 1 1 37 37 ARG CD C 13 43.519 0.600 . 1 . . . . . . . . 5880 1 421 . 1 1 37 37 ARG HD2 H 1 3.167 0.030 . 1 . . . . . . . . 5880 1 422 . 1 1 37 37 ARG NE N 15 83.554 0.400 . 1 . . . . . . . . 5880 1 423 . 1 1 37 37 ARG HE H 1 7.206 0.030 . 1 . . . . . . . . 5880 1 424 . 1 1 37 37 ARG HH11 H 1 7.206 0.030 . 1 . . . . . . . . 5880 1 425 . 1 1 38 38 THR H H 1 8.513 0.030 . 1 . . . . . . . . 5880 1 426 . 1 1 38 38 THR N N 15 116.806 0.400 . 1 . . . . . . . . 5880 1 427 . 1 1 38 38 THR CA C 13 66.611 0.600 . 1 . . . . . . . . 5880 1 428 . 1 1 38 38 THR HA H 1 3.728 0.030 . 1 . . . . . . . . 5880 1 429 . 1 1 38 38 THR C C 13 177.850 0.600 . 1 . . . . . . . . 5880 1 430 . 1 1 38 38 THR CB C 13 68.228 0.600 . 1 . . . . . . . . 5880 1 431 . 1 1 38 38 THR HB H 1 3.580 0.030 . 1 . . . . . . . . 5880 1 432 . 1 1 38 38 THR CG2 C 13 21.867 0.600 . 1 . . . . . . . . 5880 1 433 . 1 1 38 38 THR HG21 H 1 0.980 0.030 . 1 . . . . . . . . 5880 1 434 . 1 1 38 38 THR HG22 H 1 0.980 0.030 . 1 . . . . . . . . 5880 1 435 . 1 1 38 38 THR HG23 H 1 0.980 0.030 . 1 . . . . . . . . 5880 1 436 . 1 1 39 39 PHE H H 1 9.030 0.030 . 1 . . . . . . . . 5880 1 437 . 1 1 39 39 PHE N N 15 121.427 0.400 . 1 . . . . . . . . 5880 1 438 . 1 1 39 39 PHE CA C 13 57.622 0.600 . 1 . . . . . . . . 5880 1 439 . 1 1 39 39 PHE HA H 1 3.810 0.030 . 1 . . . . . . . . 5880 1 440 . 1 1 39 39 PHE C C 13 175.503 0.600 . 1 . . . . . . . . 5880 1 441 . 1 1 39 39 PHE CB C 13 34.832 0.600 . 1 . . . . . . . . 5880 1 442 . 1 1 39 39 PHE HB2 H 1 0.881 0.030 . 1 . . . . . . . . 5880 1 443 . 1 1 39 39 PHE HB3 H 1 1.559 0.030 . 1 . . . . . . . . 5880 1 444 . 1 1 39 39 PHE CD1 C 13 129.305 0.600 . 1 . . . . . . . . 5880 1 445 . 1 1 39 39 PHE HD1 H 1 6.132 0.030 . 2 . . . . . . . . 5880 1 446 . 1 1 39 39 PHE CD2 C 13 129.305 0.600 . 1 . . . . . . . . 5880 1 447 . 1 1 39 39 PHE CE1 C 13 131.508 0.600 . 1 . . . . . . . . 5880 1 448 . 1 1 39 39 PHE HE1 H 1 6.802 0.030 . 2 . . . . . . . . 5880 1 449 . 1 1 39 39 PHE CE2 C 13 131.508 0.600 . 1 . . . . . . . . 5880 1 450 . 1 1 39 39 PHE CZ C 13 129.899 0.600 . 1 . . . . . . . . 5880 1 451 . 1 1 39 39 PHE HZ H 1 6.964 0.030 . 1 . . . . . . . . 5880 1 452 . 1 1 40 40 CYS H H 1 6.437 0.030 . 1 . . . . . . . . 5880 1 453 . 1 1 40 40 CYS N N 15 114.026 0.400 . 1 . . . . . . . . 5880 1 454 . 1 1 40 40 CYS CA C 13 61.608 0.600 . 1 . . . . . . . . 5880 1 455 . 1 1 40 40 CYS HA H 1 3.734 0.030 . 1 . . . . . . . . 5880 1 456 . 1 1 40 40 CYS C C 13 173.153 0.600 . 1 . . . . . . . . 5880 1 457 . 1 1 40 40 CYS CB C 13 27.149 0.600 . 1 . . . . . . . . 5880 1 458 . 1 1 40 40 CYS HB2 H 1 2.556 0.030 . 1 . . . . . . . . 5880 1 459 . 1 1 40 40 CYS HB3 H 1 3.178 0.030 . 1 . . . . . . . . 5880 1 460 . 1 1 41 41 ALA H H 1 8.437 0.030 . 1 . . . . . . . . 5880 1 461 . 1 1 41 41 ALA N N 15 113.128 0.400 . 1 . . . . . . . . 5880 1 462 . 1 1 41 41 ALA CA C 13 53.650 0.600 . 1 . . . . . . . . 5880 1 463 . 1 1 41 41 ALA HA H 1 4.914 0.030 . 1 . . . . . . . . 5880 1 464 . 1 1 41 41 ALA C C 13 179.401 0.600 . 1 . . . . . . . . 5880 1 465 . 1 1 41 41 ALA CB C 13 20.100 0.600 . 1 . . . . . . . . 5880 1 466 . 1 1 41 41 ALA HB1 H 1 1.327 0.030 . 1 . . . . . . . . 5880 1 467 . 1 1 41 41 ALA HB2 H 1 1.327 0.030 . 1 . . . . . . . . 5880 1 468 . 1 1 41 41 ALA HB3 H 1 1.327 0.030 . 1 . . . . . . . . 5880 1 469 . 1 1 42 42 SER H H 1 8.124 0.030 . 1 . . . . . . . . 5880 1 470 . 1 1 42 42 SER N N 15 109.768 0.400 . 1 . . . . . . . . 5880 1 471 . 1 1 42 42 SER CA C 13 59.345 0.600 . 1 . . . . . . . . 5880 1 472 . 1 1 42 42 SER HA H 1 4.700 0.030 . 1 . . . . . . . . 5880 1 473 . 1 1 42 42 SER C C 13 174.948 0.600 . 1 . . . . . . . . 5880 1 474 . 1 1 42 42 SER CB C 13 64.528 0.600 . 1 . . . . . . . . 5880 1 475 . 1 1 42 42 SER HB2 H 1 3.875 0.030 . 1 . . . . . . . . 5880 1 476 . 1 1 42 42 SER HB3 H 1 3.832 0.030 . 1 . . . . . . . . 5880 1 477 . 1 1 43 43 GLU H H 1 7.247 0.030 . 1 . . . . . . . . 5880 1 478 . 1 1 43 43 GLU N N 15 120.146 0.400 . 1 . . . . . . . . 5880 1 479 . 1 1 43 43 GLU CA C 13 58.314 0.600 . 1 . . . . . . . . 5880 1 480 . 1 1 43 43 GLU HA H 1 4.370 0.030 . 1 . . . . . . . . 5880 1 481 . 1 1 43 43 GLU C C 13 177.007 0.600 . 1 . . . . . . . . 5880 1 482 . 1 1 43 43 GLU CB C 13 30.586 0.600 . 1 . . . . . . . . 5880 1 483 . 1 1 43 43 GLU HB2 H 1 1.711 0.030 . 1 . . . . . . . . 5880 1 484 . 1 1 43 43 GLU CG C 13 34.339 0.600 . 1 . . . . . . . . 5880 1 485 . 1 1 43 43 GLU HG2 H 1 2.087 0.030 . 1 . . . . . . . . 5880 1 486 . 1 1 43 43 GLU HG3 H 1 1.901 0.030 . 1 . . . . . . . . 5880 1 487 . 1 1 44 44 TRP H H 1 8.559 0.030 . 1 . . . . . . . . 5880 1 488 . 1 1 44 44 TRP N N 15 123.551 0.400 . 1 . . . . . . . . 5880 1 489 . 1 1 44 44 TRP CA C 13 58.317 0.600 . 1 . . . . . . . . 5880 1 490 . 1 1 44 44 TRP HA H 1 3.368 0.030 . 1 . . . . . . . . 5880 1 491 . 1 1 44 44 TRP CB C 13 25.953 0.600 . 1 . . . . . . . . 5880 1 492 . 1 1 44 44 TRP HB2 H 1 2.235 0.030 . 1 . . . . . . . . 5880 1 493 . 1 1 44 44 TRP HB3 H 1 1.753 0.030 . 1 . . . . . . . . 5880 1 494 . 1 1 44 44 TRP CD1 C 13 125.339 0.600 . 1 . . . . . . . . 5880 1 495 . 1 1 44 44 TRP HD1 H 1 5.850 0.030 . 1 . . . . . . . . 5880 1 496 . 1 1 44 44 TRP NE1 N 15 126.606 0.400 . 1 . . . . . . . . 5880 1 497 . 1 1 44 44 TRP HE1 H 1 9.792 0.030 . 1 . . . . . . . . 5880 1 498 . 1 1 44 44 TRP CE3 C 13 120.051 0.600 . 1 . . . . . . . . 5880 1 499 . 1 1 44 44 TRP HE3 H 1 4.998 0.030 . 1 . . . . . . . . 5880 1 500 . 1 1 44 44 TRP CZ2 C 13 111.240 0.600 . 1 . . . . . . . . 5880 1 501 . 1 1 44 44 TRP HZ2 H 1 6.949 0.030 . 1 . . . . . . . . 5880 1 502 . 1 1 44 44 TRP CZ3 C 13 120.492 0.600 . 1 . . . . . . . . 5880 1 503 . 1 1 44 44 TRP HZ3 H 1 5.440 0.030 . 1 . . . . . . . . 5880 1 504 . 1 1 44 44 TRP CH2 C 13 122.254 0.600 . 1 . . . . . . . . 5880 1 505 . 1 1 44 44 TRP HH2 H 1 6.498 0.030 . 1 . . . . . . . . 5880 1 506 . 1 1 45 45 PRO CA C 13 66.633 0.600 . 1 . . . . . . . . 5880 1 507 . 1 1 45 45 PRO HA H 1 5.066 0.030 . 1 . . . . . . . . 5880 1 508 . 1 1 45 45 PRO C C 13 178.350 0.600 . 1 . . . . . . . . 5880 1 509 . 1 1 45 45 PRO CB C 13 32.021 0.600 . 1 . . . . . . . . 5880 1 510 . 1 1 45 45 PRO HB2 H 1 1.723 0.030 . 1 . . . . . . . . 5880 1 511 . 1 1 45 45 PRO HB3 H 1 2.546 0.030 . 1 . . . . . . . . 5880 1 512 . 1 1 45 45 PRO CG C 13 29.021 0.600 . 1 . . . . . . . . 5880 1 513 . 1 1 45 45 PRO HG2 H 1 2.071 0.030 . 1 . . . . . . . . 5880 1 514 . 1 1 45 45 PRO HG3 H 1 1.876 0.030 . 1 . . . . . . . . 5880 1 515 . 1 1 45 45 PRO CD C 13 51.860 0.600 . 1 . . . . . . . . 5880 1 516 . 1 1 45 45 PRO HD2 H 1 2.876 0.030 . 1 . . . . . . . . 5880 1 517 . 1 1 45 45 PRO HD3 H 1 3.799 0.030 . 1 . . . . . . . . 5880 1 518 . 1 1 46 46 THR H H 1 7.581 0.030 . 1 . . . . . . . . 5880 1 519 . 1 1 46 46 THR N N 15 105.783 0.400 . 1 . . . . . . . . 5880 1 520 . 1 1 46 46 THR CA C 13 63.486 0.600 . 1 . . . . . . . . 5880 1 521 . 1 1 46 46 THR HA H 1 4.423 0.030 . 1 . . . . . . . . 5880 1 522 . 1 1 46 46 THR C C 13 175.771 0.600 . 1 . . . . . . . . 5880 1 523 . 1 1 46 46 THR CB C 13 70.289 0.600 . 1 . . . . . . . . 5880 1 524 . 1 1 46 46 THR HB H 1 4.523 0.030 . 1 . . . . . . . . 5880 1 525 . 1 1 46 46 THR HG1 H 1 5.708 0.030 . 1 . . . . . . . . 5880 1 526 . 1 1 46 46 THR CG2 C 13 21.247 0.600 . 1 . . . . . . . . 5880 1 527 . 1 1 46 46 THR HG21 H 1 1.429 0.030 . 1 . . . . . . . . 5880 1 528 . 1 1 46 46 THR HG22 H 1 1.429 0.030 . 1 . . . . . . . . 5880 1 529 . 1 1 46 46 THR HG23 H 1 1.429 0.030 . 1 . . . . . . . . 5880 1 530 . 1 1 47 47 PHE H H 1 7.578 0.030 . 1 . . . . . . . . 5880 1 531 . 1 1 47 47 PHE N N 15 119.864 0.400 . 1 . . . . . . . . 5880 1 532 . 1 1 47 47 PHE CA C 13 55.068 0.600 . 1 . . . . . . . . 5880 1 533 . 1 1 47 47 PHE HA H 1 4.776 0.030 . 1 . . . . . . . . 5880 1 534 . 1 1 47 47 PHE C C 13 175.235 0.600 . 1 . . . . . . . . 5880 1 535 . 1 1 47 47 PHE CB C 13 37.469 0.600 . 1 . . . . . . . . 5880 1 536 . 1 1 47 47 PHE HB2 H 1 3.447 0.030 . 1 . . . . . . . . 5880 1 537 . 1 1 47 47 PHE HB3 H 1 3.275 0.030 . 1 . . . . . . . . 5880 1 538 . 1 1 47 47 PHE CD1 C 13 129.450 0.600 . 1 . . . . . . . . 5880 1 539 . 1 1 47 47 PHE HD1 H 1 6.939 0.030 . 2 . . . . . . . . 5880 1 540 . 1 1 47 47 PHE CD2 C 13 129.450 0.600 . 1 . . . . . . . . 5880 1 541 . 1 1 47 47 PHE CE1 C 13 131.508 0.600 . 1 . . . . . . . . 5880 1 542 . 1 1 47 47 PHE HE1 H 1 7.024 0.030 . 2 . . . . . . . . 5880 1 543 . 1 1 47 47 PHE CE2 C 13 131.508 0.600 . 1 . . . . . . . . 5880 1 544 . 1 1 48 48 ASP H H 1 7.874 0.030 . 1 . . . . . . . . 5880 1 545 . 1 1 48 48 ASP N N 15 115.514 0.400 . 1 . . . . . . . . 5880 1 546 . 1 1 48 48 ASP CA C 13 55.541 0.600 . 1 . . . . . . . . 5880 1 547 . 1 1 48 48 ASP HA H 1 4.631 0.030 . 1 . . . . . . . . 5880 1 548 . 1 1 48 48 ASP C C 13 175.547 0.600 . 1 . . . . . . . . 5880 1 549 . 1 1 48 48 ASP CB C 13 38.983 0.600 . 1 . . . . . . . . 5880 1 550 . 1 1 48 48 ASP HB2 H 1 3.204 0.030 . 1 . . . . . . . . 5880 1 551 . 1 1 48 48 ASP HB3 H 1 2.574 0.030 . 1 . . . . . . . . 5880 1 552 . 1 1 49 49 VAL H H 1 8.441 0.030 . 1 . . . . . . . . 5880 1 553 . 1 1 49 49 VAL N N 15 107.881 0.400 . 1 . . . . . . . . 5880 1 554 . 1 1 49 49 VAL CA C 13 59.787 0.600 . 1 . . . . . . . . 5880 1 555 . 1 1 49 49 VAL HA H 1 4.712 0.030 . 1 . . . . . . . . 5880 1 556 . 1 1 49 49 VAL C C 13 175.603 0.600 . 1 . . . . . . . . 5880 1 557 . 1 1 49 49 VAL CB C 13 31.933 0.600 . 1 . . . . . . . . 5880 1 558 . 1 1 49 49 VAL HB H 1 2.634 0.030 . 1 . . . . . . . . 5880 1 559 . 1 1 49 49 VAL CG1 C 13 21.800 0.600 . 1 . . . . . . . . 5880 1 560 . 1 1 49 49 VAL HG11 H 1 0.881 0.030 . 1 . . . . . . . . 5880 1 561 . 1 1 49 49 VAL HG12 H 1 0.881 0.030 . 1 . . . . . . . . 5880 1 562 . 1 1 49 49 VAL HG13 H 1 0.881 0.030 . 1 . . . . . . . . 5880 1 563 . 1 1 49 49 VAL CG2 C 13 19.128 0.600 . 1 . . . . . . . . 5880 1 564 . 1 1 49 49 VAL HG21 H 1 0.739 0.030 . 1 . . . . . . . . 5880 1 565 . 1 1 49 49 VAL HG22 H 1 0.739 0.030 . 1 . . . . . . . . 5880 1 566 . 1 1 49 49 VAL HG23 H 1 0.739 0.030 . 1 . . . . . . . . 5880 1 567 . 1 1 50 50 GLY H H 1 8.121 0.030 . 1 . . . . . . . . 5880 1 568 . 1 1 50 50 GLY N N 15 108.015 0.400 . 1 . . . . . . . . 5880 1 569 . 1 1 50 50 GLY CA C 13 45.283 0.600 . 1 . . . . . . . . 5880 1 570 . 1 1 50 50 GLY HA3 H 1 4.167 0.030 . 1 . . . . . . . . 5880 1 571 . 1 1 50 50 GLY C C 13 174.584 0.600 . 1 . . . . . . . . 5880 1 572 . 1 1 50 50 GLY HA2 H 1 3.530 0.030 . 1 . . . . . . . . 5880 1 573 . 1 1 51 51 TRP H H 1 8.280 0.030 . 1 . . . . . . . . 5880 1 574 . 1 1 51 51 TRP N N 15 123.433 0.400 . 1 . . . . . . . . 5880 1 575 . 1 1 51 51 TRP CA C 13 55.282 0.600 . 1 . . . . . . . . 5880 1 576 . 1 1 51 51 TRP HA H 1 4.295 0.030 . 1 . . . . . . . . 5880 1 577 . 1 1 51 51 TRP CB C 13 27.773 0.600 . 1 . . . . . . . . 5880 1 578 . 1 1 51 51 TRP HB2 H 1 2.429 0.030 . 1 . . . . . . . . 5880 1 579 . 1 1 51 51 TRP HB3 H 1 2.944 0.030 . 1 . . . . . . . . 5880 1 580 . 1 1 51 51 TRP CD1 C 13 129.745 0.600 . 1 . . . . . . . . 5880 1 581 . 1 1 51 51 TRP HD1 H 1 6.634 0.030 . 1 . . . . . . . . 5880 1 582 . 1 1 51 51 TRP NE1 N 15 132.965 0.400 . 1 . . . . . . . . 5880 1 583 . 1 1 51 51 TRP HE1 H 1 10.113 0.030 . 1 . . . . . . . . 5880 1 584 . 1 1 51 51 TRP CE3 C 13 120.051 0.600 . 1 . . . . . . . . 5880 1 585 . 1 1 51 51 TRP HE3 H 1 6.991 0.030 . 1 . . . . . . . . 5880 1 586 . 1 1 51 51 TRP CZ2 C 13 112.561 0.600 . 1 . . . . . . . . 5880 1 587 . 1 1 51 51 TRP HZ2 H 1 6.398 0.030 . 1 . . . . . . . . 5880 1 588 . 1 1 51 51 TRP CZ3 C 13 121.373 0.600 . 1 . . . . . . . . 5880 1 589 . 1 1 51 51 TRP HZ3 H 1 6.479 0.030 . 1 . . . . . . . . 5880 1 590 . 1 1 51 51 TRP CH2 C 13 124.017 0.600 . 1 . . . . . . . . 5880 1 591 . 1 1 51 51 TRP HH2 H 1 5.476 0.030 . 1 . . . . . . . . 5880 1 592 . 1 1 52 52 PRO HA H 1 4.912 0.030 . 1 . . . . . . . . 5880 1 593 . 1 1 52 52 PRO CB C 13 30.611 0.600 . 1 . . . . . . . . 5880 1 594 . 1 1 52 52 PRO HB2 H 1 1.989 0.030 . 1 . . . . . . . . 5880 1 595 . 1 1 52 52 PRO HB3 H 1 2.130 0.030 . 1 . . . . . . . . 5880 1 596 . 1 1 52 52 PRO CG C 13 26.646 0.600 . 1 . . . . . . . . 5880 1 597 . 1 1 52 52 PRO HG2 H 1 1.547 0.030 . 1 . . . . . . . . 5880 1 598 . 1 1 52 52 PRO HG3 H 1 1.692 0.030 . 1 . . . . . . . . 5880 1 599 . 1 1 52 52 PRO CD C 13 49.557 0.600 . 1 . . . . . . . . 5880 1 600 . 1 1 52 52 PRO HD2 H 1 2.009 0.030 . 1 . . . . . . . . 5880 1 601 . 1 1 52 52 PRO HD3 H 1 3.965 0.030 . 1 . . . . . . . . 5880 1 602 . 1 1 53 53 PRO CA C 13 64.409 0.600 . 1 . . . . . . . . 5880 1 603 . 1 1 53 53 PRO HA H 1 4.918 0.030 . 1 . . . . . . . . 5880 1 604 . 1 1 53 53 PRO C C 13 177.626 0.600 . 1 . . . . . . . . 5880 1 605 . 1 1 53 53 PRO CB C 13 31.617 0.600 . 1 . . . . . . . . 5880 1 606 . 1 1 53 53 PRO HB2 H 1 2.628 0.030 . 1 . . . . . . . . 5880 1 607 . 1 1 53 53 PRO HB3 H 1 1.943 0.030 . 1 . . . . . . . . 5880 1 608 . 1 1 53 53 PRO CG C 13 27.910 0.600 . 1 . . . . . . . . 5880 1 609 . 1 1 53 53 PRO HG2 H 1 2.039 0.030 . 1 . . . . . . . . 5880 1 610 . 1 1 53 53 PRO HG3 H 1 2.189 0.030 . 1 . . . . . . . . 5880 1 611 . 1 1 53 53 PRO CD C 13 50.097 0.600 . 1 . . . . . . . . 5880 1 612 . 1 1 53 53 PRO HD2 H 1 3.851 0.030 . 1 . . . . . . . . 5880 1 613 . 1 1 53 53 PRO HD3 H 1 3.781 0.030 . 1 . . . . . . . . 5880 1 614 . 1 1 54 54 GLU H H 1 8.158 0.030 . 1 . . . . . . . . 5880 1 615 . 1 1 54 54 GLU N N 15 114.282 0.400 . 1 . . . . . . . . 5880 1 616 . 1 1 54 54 GLU CA C 13 57.169 0.600 . 1 . . . . . . . . 5880 1 617 . 1 1 54 54 GLU HA H 1 4.248 0.030 . 1 . . . . . . . . 5880 1 618 . 1 1 54 54 GLU C C 13 175.610 0.600 . 1 . . . . . . . . 5880 1 619 . 1 1 54 54 GLU CB C 13 28.569 0.600 . 1 . . . . . . . . 5880 1 620 . 1 1 54 54 GLU HB2 H 1 2.202 0.030 . 1 . . . . . . . . 5880 1 621 . 1 1 54 54 GLU HB3 H 1 2.077 0.030 . 1 . . . . . . . . 5880 1 622 . 1 1 54 54 GLU CG C 13 36.614 0.600 . 1 . . . . . . . . 5880 1 623 . 1 1 54 54 GLU HG2 H 1 2.469 0.030 . 1 . . . . . . . . 5880 1 624 . 1 1 54 54 GLU HG3 H 1 2.297 0.030 . 1 . . . . . . . . 5880 1 625 . 1 1 55 55 GLY H H 1 8.044 0.030 . 1 . . . . . . . . 5880 1 626 . 1 1 55 55 GLY N N 15 106.973 0.400 . 1 . . . . . . . . 5880 1 627 . 1 1 55 55 GLY CA C 13 44.273 0.600 . 1 . . . . . . . . 5880 1 628 . 1 1 55 55 GLY HA3 H 1 2.971 0.030 . 1 . . . . . . . . 5880 1 629 . 1 1 55 55 GLY C C 13 183.042 0.600 . 1 . . . . . . . . 5880 1 630 . 1 1 55 55 GLY HA2 H 1 3.840 0.030 . 1 . . . . . . . . 5880 1 631 . 1 1 56 56 THR H H 1 5.320 0.030 . 1 . . . . . . . . 5880 1 632 . 1 1 56 56 THR N N 15 108.986 0.400 . 1 . . . . . . . . 5880 1 633 . 1 1 56 56 THR CA C 13 59.307 0.600 . 1 . . . . . . . . 5880 1 634 . 1 1 56 56 THR HA H 1 4.060 0.030 . 1 . . . . . . . . 5880 1 635 . 1 1 56 56 THR CB C 13 68.177 0.600 . 1 . . . . . . . . 5880 1 636 . 1 1 56 56 THR HB H 1 3.361 0.030 . 1 . . . . . . . . 5880 1 637 . 1 1 56 56 THR HG1 H 1 6.061 0.030 . 1 . . . . . . . . 5880 1 638 . 1 1 56 56 THR CG2 C 13 19.597 0.600 . 1 . . . . . . . . 5880 1 639 . 1 1 56 56 THR HG21 H 1 0.132 0.030 . 1 . . . . . . . . 5880 1 640 . 1 1 56 56 THR HG22 H 1 0.132 0.030 . 1 . . . . . . . . 5880 1 641 . 1 1 56 56 THR HG23 H 1 0.132 0.030 . 1 . . . . . . . . 5880 1 642 . 1 1 57 57 PHE H H 1 8.119 0.030 . 1 . . . . . . . . 5880 1 643 . 1 1 57 57 PHE N N 15 119.757 0.400 . 1 . . . . . . . . 5880 1 644 . 1 1 57 57 PHE CA C 13 54.266 0.600 . 1 . . . . . . . . 5880 1 645 . 1 1 57 57 PHE HA H 1 5.294 0.030 . 1 . . . . . . . . 5880 1 646 . 1 1 57 57 PHE C C 13 174.245 0.600 . 1 . . . . . . . . 5880 1 647 . 1 1 57 57 PHE CB C 13 38.626 0.600 . 1 . . . . . . . . 5880 1 648 . 1 1 57 57 PHE HB2 H 1 3.633 0.030 . 1 . . . . . . . . 5880 1 649 . 1 1 57 57 PHE HB3 H 1 2.753 0.030 . 1 . . . . . . . . 5880 1 650 . 1 1 57 57 PHE CD1 C 13 131.067 0.600 . 1 . . . . . . . . 5880 1 651 . 1 1 57 57 PHE HD1 H 1 7.430 0.030 . 2 . . . . . . . . 5880 1 652 . 1 1 57 57 PHE CD2 C 13 131.067 0.600 . 1 . . . . . . . . 5880 1 653 . 1 1 57 57 PHE CE1 C 13 128.937 0.600 . 1 . . . . . . . . 5880 1 654 . 1 1 57 57 PHE HE1 H 1 7.430 0.030 . 2 . . . . . . . . 5880 1 655 . 1 1 57 57 PHE CE2 C 13 128.937 0.600 . 1 . . . . . . . . 5880 1 656 . 1 1 58 58 ASP H H 1 8.361 0.030 . 1 . . . . . . . . 5880 1 657 . 1 1 58 58 ASP N N 15 121.652 0.400 . 1 . . . . . . . . 5880 1 658 . 1 1 58 58 ASP CA C 13 54.064 0.600 . 1 . . . . . . . . 5880 1 659 . 1 1 58 58 ASP HA H 1 4.535 0.030 . 1 . . . . . . . . 5880 1 660 . 1 1 58 58 ASP C C 13 176.918 0.600 . 1 . . . . . . . . 5880 1 661 . 1 1 58 58 ASP CB C 13 41.796 0.600 . 1 . . . . . . . . 5880 1 662 . 1 1 58 58 ASP HB2 H 1 2.835 0.030 . 1 . . . . . . . . 5880 1 663 . 1 1 58 58 ASP HB3 H 1 2.485 0.030 . 1 . . . . . . . . 5880 1 664 . 1 1 59 59 LEU H H 1 8.796 0.030 . 1 . . . . . . . . 5880 1 665 . 1 1 59 59 LEU N N 15 129.541 0.400 . 1 . . . . . . . . 5880 1 666 . 1 1 59 59 LEU CA C 13 57.430 0.600 . 1 . . . . . . . . 5880 1 667 . 1 1 59 59 LEU HA H 1 3.912 0.030 . 1 . . . . . . . . 5880 1 668 . 1 1 59 59 LEU C C 13 177.389 0.600 . 1 . . . . . . . . 5880 1 669 . 1 1 59 59 LEU CB C 13 42.138 0.600 . 1 . . . . . . . . 5880 1 670 . 1 1 59 59 LEU HB2 H 1 1.680 0.030 . 1 . . . . . . . . 5880 1 671 . 1 1 59 59 LEU HB3 H 1 1.585 0.030 . 1 . . . . . . . . 5880 1 672 . 1 1 59 59 LEU CG C 13 26.646 0.600 . 1 . . . . . . . . 5880 1 673 . 1 1 59 59 LEU CD1 C 13 23.680 0.600 . 1 . . . . . . . . 5880 1 674 . 1 1 59 59 LEU HD11 H 1 0.703 0.030 . 1 . . . . . . . . 5880 1 675 . 1 1 59 59 LEU HD12 H 1 0.703 0.030 . 1 . . . . . . . . 5880 1 676 . 1 1 59 59 LEU HD13 H 1 0.703 0.030 . 1 . . . . . . . . 5880 1 677 . 1 1 59 59 LEU CD2 C 13 25.355 0.600 . 1 . . . . . . . . 5880 1 678 . 1 1 59 59 LEU HD21 H 1 0.862 0.030 . 1 . . . . . . . . 5880 1 679 . 1 1 59 59 LEU HD22 H 1 0.862 0.030 . 1 . . . . . . . . 5880 1 680 . 1 1 59 59 LEU HD23 H 1 0.862 0.030 . 1 . . . . . . . . 5880 1 681 . 1 1 59 59 LEU HG H 1 1.404 0.030 . 1 . . . . . . . . 5880 1 682 . 1 1 60 60 THR H H 1 8.263 0.030 . 1 . . . . . . . . 5880 1 683 . 1 1 60 60 THR N N 15 112.250 0.400 . 1 . . . . . . . . 5880 1 684 . 1 1 60 60 THR CA C 13 66.454 0.600 . 1 . . . . . . . . 5880 1 685 . 1 1 60 60 THR HA H 1 3.988 0.030 . 1 . . . . . . . . 5880 1 686 . 1 1 60 60 THR C C 13 177.099 0.600 . 1 . . . . . . . . 5880 1 687 . 1 1 60 60 THR CB C 13 68.248 0.600 . 1 . . . . . . . . 5880 1 688 . 1 1 60 60 THR HB H 1 4.310 0.030 . 1 . . . . . . . . 5880 1 689 . 1 1 60 60 THR CG2 C 13 22.056 0.600 . 1 . . . . . . . . 5880 1 690 . 1 1 60 60 THR HG21 H 1 1.311 0.030 . 1 . . . . . . . . 5880 1 691 . 1 1 60 60 THR HG22 H 1 1.311 0.030 . 1 . . . . . . . . 5880 1 692 . 1 1 60 60 THR HG23 H 1 1.311 0.030 . 1 . . . . . . . . 5880 1 693 . 1 1 61 61 VAL H H 1 7.204 0.030 . 1 . . . . . . . . 5880 1 694 . 1 1 61 61 VAL N N 15 122.630 0.400 . 1 . . . . . . . . 5880 1 695 . 1 1 61 61 VAL CA C 13 66.055 0.600 . 1 . . . . . . . . 5880 1 696 . 1 1 61 61 VAL HA H 1 3.773 0.030 . 1 . . . . . . . . 5880 1 697 . 1 1 61 61 VAL C C 13 178.775 0.600 . 1 . . . . . . . . 5880 1 698 . 1 1 61 61 VAL CB C 13 31.875 0.600 . 1 . . . . . . . . 5880 1 699 . 1 1 61 61 VAL HB H 1 2.056 0.030 . 1 . . . . . . . . 5880 1 700 . 1 1 61 61 VAL CG1 C 13 21.908 0.600 . 1 . . . . . . . . 5880 1 701 . 1 1 61 61 VAL HG11 H 1 0.991 0.030 . 1 . . . . . . . . 5880 1 702 . 1 1 61 61 VAL HG12 H 1 0.991 0.030 . 1 . . . . . . . . 5880 1 703 . 1 1 61 61 VAL HG13 H 1 0.991 0.030 . 1 . . . . . . . . 5880 1 704 . 1 1 61 61 VAL CG2 C 13 22.240 0.600 . 1 . . . . . . . . 5880 1 705 . 1 1 61 61 VAL HG21 H 1 1.023 0.030 . 1 . . . . . . . . 5880 1 706 . 1 1 61 61 VAL HG22 H 1 1.023 0.030 . 1 . . . . . . . . 5880 1 707 . 1 1 61 61 VAL HG23 H 1 1.023 0.030 . 1 . . . . . . . . 5880 1 708 . 1 1 62 62 ILE H H 1 8.002 0.030 . 1 . . . . . . . . 5880 1 709 . 1 1 62 62 ILE N N 15 121.365 0.400 . 1 . . . . . . . . 5880 1 710 . 1 1 62 62 ILE CA C 13 66.500 0.600 . 1 . . . . . . . . 5880 1 711 . 1 1 62 62 ILE HA H 1 3.569 0.030 . 1 . . . . . . . . 5880 1 712 . 1 1 62 62 ILE C C 13 178.075 0.600 . 1 . . . . . . . . 5880 1 713 . 1 1 62 62 ILE CB C 13 37.871 0.600 . 1 . . . . . . . . 5880 1 714 . 1 1 62 62 ILE HB H 1 1.962 0.030 . 1 . . . . . . . . 5880 1 715 . 1 1 62 62 ILE CG2 C 13 15.580 0.600 . 1 . . . . . . . . 5880 1 716 . 1 1 62 62 ILE CG1 C 13 32.374 0.600 . 1 . . . . . . . . 5880 1 717 . 1 1 62 62 ILE HG12 H 1 1.898 0.030 . 1 . . . . . . . . 5880 1 718 . 1 1 62 62 ILE HG13 H 1 1.227 0.030 . 1 . . . . . . . . 5880 1 719 . 1 1 62 62 ILE CD1 C 13 14.750 0.600 . 1 . . . . . . . . 5880 1 720 . 1 1 62 62 ILE HD11 H 1 1.112 0.030 . 1 . . . . . . . . 5880 1 721 . 1 1 62 62 ILE HD12 H 1 1.112 0.030 . 1 . . . . . . . . 5880 1 722 . 1 1 62 62 ILE HD13 H 1 1.112 0.030 . 1 . . . . . . . . 5880 1 723 . 1 1 62 62 ILE HG21 H 1 0.722 0.030 . 1 . . . . . . . . 5880 1 724 . 1 1 62 62 ILE HG22 H 1 0.722 0.030 . 1 . . . . . . . . 5880 1 725 . 1 1 62 62 ILE HG23 H 1 0.722 0.030 . 1 . . . . . . . . 5880 1 726 . 1 1 63 63 PHE H H 1 8.695 0.030 . 1 . . . . . . . . 5880 1 727 . 1 1 63 63 PHE N N 15 117.192 0.400 . 1 . . . . . . . . 5880 1 728 . 1 1 63 63 PHE CA C 13 59.806 0.600 . 1 . . . . . . . . 5880 1 729 . 1 1 63 63 PHE HA H 1 4.423 0.030 . 1 . . . . . . . . 5880 1 730 . 1 1 63 63 PHE C C 13 179.368 0.600 . 1 . . . . . . . . 5880 1 731 . 1 1 63 63 PHE CB C 13 37.707 0.600 . 1 . . . . . . . . 5880 1 732 . 1 1 63 63 PHE HB2 H 1 3.267 0.030 . 1 . . . . . . . . 5880 1 733 . 1 1 63 63 PHE HB3 H 1 3.191 0.030 . 1 . . . . . . . . 5880 1 734 . 1 1 63 63 PHE CD1 C 13 130.186 0.600 . 1 . . . . . . . . 5880 1 735 . 1 1 63 63 PHE HD1 H 1 7.186 0.030 . 2 . . . . . . . . 5880 1 736 . 1 1 63 63 PHE CD2 C 13 130.186 0.600 . 1 . . . . . . . . 5880 1 737 . 1 1 63 63 PHE CE1 C 13 129.393 0.600 . 1 . . . . . . . . 5880 1 738 . 1 1 63 63 PHE HE1 H 1 7.209 0.030 . 2 . . . . . . . . 5880 1 739 . 1 1 63 63 PHE CE2 C 13 129.393 0.600 . 1 . . . . . . . . 5880 1 740 . 1 1 64 64 GLU H H 1 7.827 0.030 . 1 . . . . . . . . 5880 1 741 . 1 1 64 64 GLU N N 15 121.685 0.400 . 1 . . . . . . . . 5880 1 742 . 1 1 64 64 GLU CA C 13 59.455 0.600 . 1 . . . . . . . . 5880 1 743 . 1 1 64 64 GLU HA H 1 4.286 0.030 . 1 . . . . . . . . 5880 1 744 . 1 1 64 64 GLU C C 13 178.748 0.600 . 1 . . . . . . . . 5880 1 745 . 1 1 64 64 GLU CB C 13 28.915 0.600 . 1 . . . . . . . . 5880 1 746 . 1 1 64 64 GLU HB2 H 1 2.140 0.030 . 1 . . . . . . . . 5880 1 747 . 1 1 64 64 GLU HB3 H 1 2.391 0.030 . 1 . . . . . . . . 5880 1 748 . 1 1 64 64 GLU CG C 13 35.528 0.600 . 1 . . . . . . . . 5880 1 749 . 1 1 64 64 GLU HG2 H 1 2.631 0.030 . 1 . . . . . . . . 5880 1 750 . 1 1 64 64 GLU HG3 H 1 2.563 0.030 . 1 . . . . . . . . 5880 1 751 . 1 1 65 65 VAL H H 1 8.088 0.030 . 1 . . . . . . . . 5880 1 752 . 1 1 65 65 VAL N N 15 120.246 0.400 . 1 . . . . . . . . 5880 1 753 . 1 1 65 65 VAL CA C 13 67.241 0.600 . 1 . . . . . . . . 5880 1 754 . 1 1 65 65 VAL HA H 1 3.378 0.030 . 1 . . . . . . . . 5880 1 755 . 1 1 65 65 VAL C C 13 178.135 0.600 . 1 . . . . . . . . 5880 1 756 . 1 1 65 65 VAL CB C 13 31.107 0.600 . 1 . . . . . . . . 5880 1 757 . 1 1 65 65 VAL HB H 1 1.579 0.030 . 1 . . . . . . . . 5880 1 758 . 1 1 65 65 VAL CG1 C 13 23.963 0.600 . 1 . . . . . . . . 5880 1 759 . 1 1 65 65 VAL HG11 H 1 0.667 0.030 . 1 . . . . . . . . 5880 1 760 . 1 1 65 65 VAL HG12 H 1 0.667 0.030 . 1 . . . . . . . . 5880 1 761 . 1 1 65 65 VAL HG13 H 1 0.667 0.030 . 1 . . . . . . . . 5880 1 762 . 1 1 65 65 VAL CG2 C 13 19.580 0.600 . 1 . . . . . . . . 5880 1 763 . 1 1 65 65 VAL HG21 H 1 -0.715 0.030 . 1 . . . . . . . . 5880 1 764 . 1 1 65 65 VAL HG22 H 1 -0.715 0.030 . 1 . . . . . . . . 5880 1 765 . 1 1 65 65 VAL HG23 H 1 -0.715 0.030 . 1 . . . . . . . . 5880 1 766 . 1 1 66 66 LYS H H 1 8.791 0.030 . 1 . . . . . . . . 5880 1 767 . 1 1 66 66 LYS N N 15 120.246 0.400 . 1 . . . . . . . . 5880 1 768 . 1 1 66 66 LYS CA C 13 60.765 0.600 . 1 . . . . . . . . 5880 1 769 . 1 1 66 66 LYS HA H 1 3.725 0.030 . 1 . . . . . . . . 5880 1 770 . 1 1 66 66 LYS C C 13 177.021 0.600 . 1 . . . . . . . . 5880 1 771 . 1 1 66 66 LYS CB C 13 33.369 0.600 . 1 . . . . . . . . 5880 1 772 . 1 1 66 66 LYS HB2 H 1 2.077 0.030 . 1 . . . . . . . . 5880 1 773 . 1 1 66 66 LYS HB3 H 1 1.802 0.030 . 1 . . . . . . . . 5880 1 774 . 1 1 66 66 LYS CG C 13 26.646 0.600 . 1 . . . . . . . . 5880 1 775 . 1 1 66 66 LYS HG2 H 1 1.335 0.030 . 1 . . . . . . . . 5880 1 776 . 1 1 66 66 LYS CD C 13 30.171 0.600 . 1 . . . . . . . . 5880 1 777 . 1 1 66 66 LYS HD2 H 1 1.498 0.030 . 1 . . . . . . . . 5880 1 778 . 1 1 66 66 LYS HD3 H 1 1.589 0.030 . 1 . . . . . . . . 5880 1 779 . 1 1 66 66 LYS CE C 13 42.053 0.600 . 1 . . . . . . . . 5880 1 780 . 1 1 66 66 LYS HE2 H 1 2.303 0.030 . 1 . . . . . . . . 5880 1 781 . 1 1 66 66 LYS HE3 H 1 2.462 0.030 . 1 . . . . . . . . 5880 1 782 . 1 1 67 67 ALA H H 1 7.846 0.030 . 1 . . . . . . . . 5880 1 783 . 1 1 67 67 ALA N N 15 118.360 0.400 . 1 . . . . . . . . 5880 1 784 . 1 1 67 67 ALA CA C 13 54.593 0.600 . 1 . . . . . . . . 5880 1 785 . 1 1 67 67 ALA HA H 1 4.035 0.030 . 1 . . . . . . . . 5880 1 786 . 1 1 67 67 ALA C C 13 180.124 0.600 . 1 . . . . . . . . 5880 1 787 . 1 1 67 67 ALA CB C 13 18.275 0.600 . 1 . . . . . . . . 5880 1 788 . 1 1 67 67 ALA HB1 H 1 1.465 0.030 . 1 . . . . . . . . 5880 1 789 . 1 1 67 67 ALA HB2 H 1 1.465 0.030 . 1 . . . . . . . . 5880 1 790 . 1 1 67 67 ALA HB3 H 1 1.465 0.030 . 1 . . . . . . . . 5880 1 791 . 1 1 68 68 ILE H H 1 7.086 0.030 . 1 . . . . . . . . 5880 1 792 . 1 1 68 68 ILE N N 15 117.062 0.400 . 1 . . . . . . . . 5880 1 793 . 1 1 68 68 ILE CA C 13 63.595 0.600 . 1 . . . . . . . . 5880 1 794 . 1 1 68 68 ILE HA H 1 3.671 0.030 . 1 . . . . . . . . 5880 1 795 . 1 1 68 68 ILE C C 13 178.969 0.600 . 1 . . . . . . . . 5880 1 796 . 1 1 68 68 ILE CB C 13 38.159 0.600 . 1 . . . . . . . . 5880 1 797 . 1 1 68 68 ILE HB H 1 1.678 0.030 . 1 . . . . . . . . 5880 1 798 . 1 1 68 68 ILE CG2 C 13 16.953 0.600 . 1 . . . . . . . . 5880 1 799 . 1 1 68 68 ILE CG1 C 13 28.737 0.600 . 1 . . . . . . . . 5880 1 800 . 1 1 68 68 ILE HG12 H 1 1.560 0.030 . 1 . . . . . . . . 5880 1 801 . 1 1 68 68 ILE HG13 H 1 1.031 0.030 . 1 . . . . . . . . 5880 1 802 . 1 1 68 68 ILE CD1 C 13 14.310 0.600 . 1 . . . . . . . . 5880 1 803 . 1 1 68 68 ILE HD11 H 1 0.711 0.030 . 1 . . . . . . . . 5880 1 804 . 1 1 68 68 ILE HD12 H 1 0.711 0.030 . 1 . . . . . . . . 5880 1 805 . 1 1 68 68 ILE HD13 H 1 0.711 0.030 . 1 . . . . . . . . 5880 1 806 . 1 1 68 68 ILE HG21 H 1 0.041 0.030 . 1 . . . . . . . . 5880 1 807 . 1 1 68 68 ILE HG22 H 1 0.041 0.030 . 1 . . . . . . . . 5880 1 808 . 1 1 68 68 ILE HG23 H 1 0.041 0.030 . 1 . . . . . . . . 5880 1 809 . 1 1 69 69 VAL H H 1 8.285 0.030 . 1 . . . . . . . . 5880 1 810 . 1 1 69 69 VAL N N 15 116.377 0.400 . 1 . . . . . . . . 5880 1 811 . 1 1 69 69 VAL CA C 13 66.141 0.600 . 1 . . . . . . . . 5880 1 812 . 1 1 69 69 VAL HA H 1 3.749 0.030 . 1 . . . . . . . . 5880 1 813 . 1 1 69 69 VAL C C 13 178.055 0.600 . 1 . . . . . . . . 5880 1 814 . 1 1 69 69 VAL CB C 13 32.065 0.600 . 1 . . . . . . . . 5880 1 815 . 1 1 69 69 VAL HB H 1 2.269 0.030 . 1 . . . . . . . . 5880 1 816 . 1 1 69 69 VAL CG1 C 13 23.057 0.600 . 1 . . . . . . . . 5880 1 817 . 1 1 69 69 VAL HG11 H 1 0.939 0.030 . 1 . . . . . . . . 5880 1 818 . 1 1 69 69 VAL HG12 H 1 0.939 0.030 . 1 . . . . . . . . 5880 1 819 . 1 1 69 69 VAL HG13 H 1 0.939 0.030 . 1 . . . . . . . . 5880 1 820 . 1 1 69 69 VAL CG2 C 13 23.057 0.600 . 1 . . . . . . . . 5880 1 821 . 1 1 69 69 VAL HG21 H 1 1.002 0.030 . 1 . . . . . . . . 5880 1 822 . 1 1 69 69 VAL HG22 H 1 1.002 0.030 . 1 . . . . . . . . 5880 1 823 . 1 1 69 69 VAL HG23 H 1 1.002 0.030 . 1 . . . . . . . . 5880 1 824 . 1 1 70 70 PHE H H 1 8.484 0.030 . 1 . . . . . . . . 5880 1 825 . 1 1 70 70 PHE N N 15 117.310 0.400 . 1 . . . . . . . . 5880 1 826 . 1 1 70 70 PHE CA C 13 59.404 0.600 . 1 . . . . . . . . 5880 1 827 . 1 1 70 70 PHE HA H 1 4.387 0.030 . 1 . . . . . . . . 5880 1 828 . 1 1 70 70 PHE C C 13 174.887 0.600 . 1 . . . . . . . . 5880 1 829 . 1 1 70 70 PHE CB C 13 38.102 0.600 . 1 . . . . . . . . 5880 1 830 . 1 1 70 70 PHE HB2 H 1 3.364 0.030 . 1 . . . . . . . . 5880 1 831 . 1 1 70 70 PHE HB3 H 1 2.969 0.030 . 1 . . . . . . . . 5880 1 832 . 1 1 70 70 PHE CD1 C 13 132.811 0.600 . 1 . . . . . . . . 5880 1 833 . 1 1 70 70 PHE HD1 H 1 7.488 0.030 . 2 . . . . . . . . 5880 1 834 . 1 1 70 70 PHE CD2 C 13 132.811 0.600 . 1 . . . . . . . . 5880 1 835 . 1 1 70 70 PHE CE1 C 13 131.132 0.600 . 1 . . . . . . . . 5880 1 836 . 1 1 70 70 PHE HE1 H 1 7.225 0.030 . 2 . . . . . . . . 5880 1 837 . 1 1 70 70 PHE CE2 C 13 131.132 0.600 . 1 . . . . . . . . 5880 1 838 . 1 1 70 70 PHE CZ C 13 130.186 0.600 . 1 . . . . . . . . 5880 1 839 . 1 1 70 70 PHE HZ H 1 7.190 0.030 . 1 . . . . . . . . 5880 1 840 . 1 1 71 71 GLN H H 1 6.924 0.030 . 1 . . . . . . . . 5880 1 841 . 1 1 71 71 GLN N N 15 120.159 0.400 . 1 . . . . . . . . 5880 1 842 . 1 1 71 71 GLN CA C 13 56.606 0.600 . 1 . . . . . . . . 5880 1 843 . 1 1 71 71 GLN HA H 1 4.210 0.030 . 1 . . . . . . . . 5880 1 844 . 1 1 71 71 GLN CB C 13 30.036 0.600 . 1 . . . . . . . . 5880 1 845 . 1 1 71 71 GLN HB2 H 1 2.124 0.030 . 2 . . . . . . . . 5880 1 846 . 1 1 71 71 GLN CG C 13 33.760 0.600 . 1 . . . . . . . . 5880 1 847 . 1 1 71 71 GLN HG2 H 1 2.280 0.030 . 1 . . . . . . . . 5880 1 848 . 1 1 71 71 GLN HG3 H 1 2.004 0.030 . 1 . . . . . . . . 5880 1 849 . 1 1 71 71 GLN NE2 N 15 112.907 0.400 . 1 . . . . . . . . 5880 1 850 . 1 1 71 71 GLN HE21 H 1 6.996 0.030 . 1 . . . . . . . . 5880 1 851 . 1 1 71 71 GLN HE22 H 1 7.602 0.030 . 1 . . . . . . . . 5880 1 852 . 1 1 72 72 ASP H H 1 8.428 0.030 . 1 . . . . . . . . 5880 1 853 . 1 1 72 72 ASP N N 15 120.923 0.400 . 1 . . . . . . . . 5880 1 854 . 1 1 72 72 ASP CA C 13 54.008 0.600 . 1 . . . . . . . . 5880 1 855 . 1 1 72 72 ASP HA H 1 4.705 0.030 . 1 . . . . . . . . 5880 1 856 . 1 1 72 72 ASP C C 13 177.028 0.600 . 1 . . . . . . . . 5880 1 857 . 1 1 72 72 ASP CB C 13 41.626 0.600 . 1 . . . . . . . . 5880 1 858 . 1 1 72 72 ASP HB2 H 1 2.689 0.030 . 1 . . . . . . . . 5880 1 859 . 1 1 72 72 ASP HB3 H 1 2.595 0.030 . 1 . . . . . . . . 5880 1 860 . 1 1 73 73 GLY H H 1 8.271 0.030 . 1 . . . . . . . . 5880 1 861 . 1 1 73 73 GLY N N 15 109.943 0.400 . 1 . . . . . . . . 5880 1 862 . 1 1 73 73 GLY CA C 13 44.908 0.600 . 1 . . . . . . . . 5880 1 863 . 1 1 73 73 GLY HA3 H 1 4.365 0.030 . 1 . . . . . . . . 5880 1 864 . 1 1 73 73 GLY HA2 H 1 3.886 0.030 . 1 . . . . . . . . 5880 1 865 . 1 1 74 74 PRO CA C 13 64.178 0.600 . 1 . . . . . . . . 5880 1 866 . 1 1 74 74 PRO HA H 1 4.337 0.030 . 1 . . . . . . . . 5880 1 867 . 1 1 74 74 PRO C C 13 177.231 0.600 . 1 . . . . . . . . 5880 1 868 . 1 1 74 74 PRO CB C 13 31.838 0.600 . 1 . . . . . . . . 5880 1 869 . 1 1 74 74 PRO HB2 H 1 2.284 0.030 . 1 . . . . . . . . 5880 1 870 . 1 1 74 74 PRO HB3 H 1 1.929 0.030 . 1 . . . . . . . . 5880 1 871 . 1 1 74 74 PRO CG C 13 27.016 0.600 . 1 . . . . . . . . 5880 1 872 . 1 1 74 74 PRO HG2 H 1 1.982 0.030 . 1 . . . . . . . . 5880 1 873 . 1 1 74 74 PRO CD C 13 49.963 0.600 . 1 . . . . . . . . 5880 1 874 . 1 1 74 74 PRO HD2 H 1 3.708 0.030 . 1 . . . . . . . . 5880 1 875 . 1 1 74 74 PRO HD3 H 1 3.584 0.030 . 1 . . . . . . . . 5880 1 876 . 1 1 75 75 GLY H H 1 8.571 0.030 . 1 . . . . . . . . 5880 1 877 . 1 1 75 75 GLY N N 15 108.657 0.400 . 1 . . . . . . . . 5880 1 878 . 1 1 75 75 GLY CA C 13 44.875 0.600 . 1 . . . . . . . . 5880 1 879 . 1 1 75 75 GLY HA3 H 1 3.485 0.030 . 1 . . . . . . . . 5880 1 880 . 1 1 75 75 GLY C C 13 172.881 0.600 . 1 . . . . . . . . 5880 1 881 . 1 1 75 75 GLY HA2 H 1 3.905 0.030 . 1 . . . . . . . . 5880 1 882 . 1 1 76 76 SER H H 1 7.141 0.030 . 1 . . . . . . . . 5880 1 883 . 1 1 76 76 SER N N 15 111.799 0.400 . 1 . . . . . . . . 5880 1 884 . 1 1 76 76 SER CA C 13 58.528 0.600 . 1 . . . . . . . . 5880 1 885 . 1 1 76 76 SER HA H 1 4.003 0.030 . 1 . . . . . . . . 5880 1 886 . 1 1 76 76 SER C C 13 174.261 0.600 . 1 . . . . . . . . 5880 1 887 . 1 1 76 76 SER CB C 13 64.691 0.600 . 1 . . . . . . . . 5880 1 888 . 1 1 76 76 SER HB2 H 1 4.141 0.030 . 1 . . . . . . . . 5880 1 889 . 1 1 76 76 SER HB3 H 1 3.923 0.030 . 1 . . . . . . . . 5880 1 890 . 1 1 77 77 HIS H H 1 8.147 0.030 . 1 . . . . . . . . 5880 1 891 . 1 1 77 77 HIS N N 15 114.678 0.400 . 1 . . . . . . . . 5880 1 892 . 1 1 77 77 HIS CA C 13 52.235 0.600 . 1 . . . . . . . . 5880 1 893 . 1 1 77 77 HIS HA H 1 5.272 0.030 . 1 . . . . . . . . 5880 1 894 . 1 1 77 77 HIS CB C 13 30.149 0.600 . 1 . . . . . . . . 5880 1 895 . 1 1 77 77 HIS HB2 H 1 2.955 0.030 . 1 . . . . . . . . 5880 1 896 . 1 1 77 77 HIS CD2 C 13 120.074 0.600 . 1 . . . . . . . . 5880 1 897 . 1 1 77 77 HIS HD2 H 1 6.873 0.030 . 1 . . . . . . . . 5880 1 898 . 1 1 78 78 PRO CA C 13 65.827 0.600 . 1 . . . . . . . . 5880 1 899 . 1 1 78 78 PRO HA H 1 3.913 0.030 . 1 . . . . . . . . 5880 1 900 . 1 1 78 78 PRO C C 13 178.342 0.600 . 1 . . . . . . . . 5880 1 901 . 1 1 78 78 PRO CB C 13 31.726 0.600 . 1 . . . . . . . . 5880 1 902 . 1 1 78 78 PRO HB2 H 1 2.331 0.030 . 1 . . . . . . . . 5880 1 903 . 1 1 78 78 PRO HB3 H 1 2.012 0.030 . 1 . . . . . . . . 5880 1 904 . 1 1 78 78 PRO CG C 13 27.569 0.600 . 1 . . . . . . . . 5880 1 905 . 1 1 78 78 PRO HG2 H 1 2.126 0.030 . 1 . . . . . . . . 5880 1 906 . 1 1 78 78 PRO HG3 H 1 1.954 0.030 . 1 . . . . . . . . 5880 1 907 . 1 1 78 78 PRO CD C 13 50.317 0.600 . 1 . . . . . . . . 5880 1 908 . 1 1 78 78 PRO HD2 H 1 3.777 0.030 . 1 . . . . . . . . 5880 1 909 . 1 1 78 78 PRO HD3 H 1 3.511 0.030 . 1 . . . . . . . . 5880 1 910 . 1 1 79 79 ASP H H 1 9.086 0.030 . 1 . . . . . . . . 5880 1 911 . 1 1 79 79 ASP N N 15 115.028 0.400 . 1 . . . . . . . . 5880 1 912 . 1 1 79 79 ASP CA C 13 55.676 0.600 . 1 . . . . . . . . 5880 1 913 . 1 1 79 79 ASP HA H 1 4.439 0.030 . 1 . . . . . . . . 5880 1 914 . 1 1 79 79 ASP C C 13 177.504 0.600 . 1 . . . . . . . . 5880 1 915 . 1 1 79 79 ASP CB C 13 38.983 0.600 . 1 . . . . . . . . 5880 1 916 . 1 1 79 79 ASP HB2 H 1 2.973 0.030 . 1 . . . . . . . . 5880 1 917 . 1 1 79 79 ASP HB3 H 1 2.825 0.030 . 1 . . . . . . . . 5880 1 918 . 1 1 80 80 GLN H H 1 7.511 0.030 . 1 . . . . . . . . 5880 1 919 . 1 1 80 80 GLN N N 15 116.626 0.400 . 1 . . . . . . . . 5880 1 920 . 1 1 80 80 GLN CA C 13 56.208 0.600 . 1 . . . . . . . . 5880 1 921 . 1 1 80 80 GLN HA H 1 4.164 0.030 . 1 . . . . . . . . 5880 1 922 . 1 1 80 80 GLN C C 13 177.914 0.600 . 1 . . . . . . . . 5880 1 923 . 1 1 80 80 GLN CB C 13 30.583 0.600 . 1 . . . . . . . . 5880 1 924 . 1 1 80 80 GLN HB2 H 1 1.894 0.030 . 1 . . . . . . . . 5880 1 925 . 1 1 80 80 GLN HB3 H 1 2.119 0.030 . 1 . . . . . . . . 5880 1 926 . 1 1 80 80 GLN CG C 13 32.182 0.600 . 1 . . . . . . . . 5880 1 927 . 1 1 80 80 GLN HG2 H 1 0.043 0.030 . 1 . . . . . . . . 5880 1 928 . 1 1 80 80 GLN HG3 H 1 1.690 0.030 . 1 . . . . . . . . 5880 1 929 . 1 1 80 80 GLN NE2 N 15 108.504 0.400 . 1 . . . . . . . . 5880 1 930 . 1 1 80 80 GLN HE21 H 1 6.376 0.030 . 1 . . . . . . . . 5880 1 931 . 1 1 80 80 GLN HE22 H 1 6.860 0.030 . 1 . . . . . . . . 5880 1 932 . 1 1 81 81 GLN H H 1 7.414 0.030 . 1 . . . . . . . . 5880 1 933 . 1 1 81 81 GLN N N 15 121.343 0.400 . 1 . . . . . . . . 5880 1 934 . 1 1 81 81 GLN CA C 13 60.226 0.600 . 1 . . . . . . . . 5880 1 935 . 1 1 81 81 GLN HA H 1 3.705 0.030 . 1 . . . . . . . . 5880 1 936 . 1 1 81 81 GLN CB C 13 25.388 0.600 . 1 . . . . . . . . 5880 1 937 . 1 1 81 81 GLN HB2 H 1 1.753 0.030 . 1 . . . . . . . . 5880 1 938 . 1 1 81 81 GLN HB3 H 1 2.202 0.030 . 1 . . . . . . . . 5880 1 939 . 1 1 81 81 GLN CG C 13 33.696 0.600 . 1 . . . . . . . . 5880 1 940 . 1 1 81 81 GLN HG2 H 1 2.078 0.030 . 1 . . . . . . . . 5880 1 941 . 1 1 81 81 GLN HG3 H 1 0.185 0.030 . 1 . . . . . . . . 5880 1 942 . 1 1 81 81 GLN NE2 N 15 108.504 0.400 . 1 . . . . . . . . 5880 1 943 . 1 1 81 81 GLN HE21 H 1 6.902 0.030 . 1 . . . . . . . . 5880 1 944 . 1 1 81 81 GLN HE22 H 1 6.985 0.030 . 1 . . . . . . . . 5880 1 945 . 1 1 82 82 PRO CA C 13 66.266 0.600 . 1 . . . . . . . . 5880 1 946 . 1 1 82 82 PRO HA H 1 4.398 0.030 . 1 . . . . . . . . 5880 1 947 . 1 1 82 82 PRO C C 13 177.042 0.600 . 1 . . . . . . . . 5880 1 948 . 1 1 82 82 PRO CB C 13 31.755 0.600 . 1 . . . . . . . . 5880 1 949 . 1 1 82 82 PRO HB2 H 1 2.344 0.030 . 1 . . . . . . . . 5880 1 950 . 1 1 82 82 PRO HB3 H 1 1.700 0.030 . 1 . . . . . . . . 5880 1 951 . 1 1 82 82 PRO CG C 13 28.340 0.600 . 1 . . . . . . . . 5880 1 952 . 1 1 82 82 PRO HG2 H 1 2.363 0.030 . 1 . . . . . . . . 5880 1 953 . 1 1 82 82 PRO HG3 H 1 2.380 0.030 . 1 . . . . . . . . 5880 1 954 . 1 1 82 82 PRO CD C 13 50.488 0.600 . 1 . . . . . . . . 5880 1 955 . 1 1 82 82 PRO HD2 H 1 3.873 0.030 . 1 . . . . . . . . 5880 1 956 . 1 1 82 82 PRO HD3 H 1 4.123 0.030 . 1 . . . . . . . . 5880 1 957 . 1 1 83 83 TYR H H 1 6.932 0.030 . 1 . . . . . . . . 5880 1 958 . 1 1 83 83 TYR N N 15 113.049 0.400 . 1 . . . . . . . . 5880 1 959 . 1 1 83 83 TYR CA C 13 62.581 0.600 . 1 . . . . . . . . 5880 1 960 . 1 1 83 83 TYR HA H 1 4.286 0.030 . 1 . . . . . . . . 5880 1 961 . 1 1 83 83 TYR C C 13 178.409 0.600 . 1 . . . . . . . . 5880 1 962 . 1 1 83 83 TYR CB C 13 38.508 0.600 . 1 . . . . . . . . 5880 1 963 . 1 1 83 83 TYR HB2 H 1 3.470 0.030 . 1 . . . . . . . . 5880 1 964 . 1 1 83 83 TYR HB3 H 1 3.599 0.030 . 1 . . . . . . . . 5880 1 965 . 1 1 83 83 TYR CD1 C 13 133.857 0.600 . 1 . . . . . . . . 5880 1 966 . 1 1 83 83 TYR HD1 H 1 7.820 0.030 . 2 . . . . . . . . 5880 1 967 . 1 1 83 83 TYR CD2 C 13 133.857 0.600 . 1 . . . . . . . . 5880 1 968 . 1 1 83 83 TYR CE1 C 13 119.244 0.600 . 1 . . . . . . . . 5880 1 969 . 1 1 83 83 TYR HE1 H 1 7.706 0.030 . 2 . . . . . . . . 5880 1 970 . 1 1 83 83 TYR CE2 C 13 119.244 0.600 . 1 . . . . . . . . 5880 1 971 . 1 1 84 84 ILE H H 1 8.006 0.030 . 1 . . . . . . . . 5880 1 972 . 1 1 84 84 ILE N N 15 118.281 0.400 . 1 . . . . . . . . 5880 1 973 . 1 1 84 84 ILE CA C 13 59.905 0.600 . 1 . . . . . . . . 5880 1 974 . 1 1 84 84 ILE HA H 1 4.640 0.030 . 1 . . . . . . . . 5880 1 975 . 1 1 84 84 ILE C C 13 176.168 0.600 . 1 . . . . . . . . 5880 1 976 . 1 1 84 84 ILE CB C 13 37.531 0.600 . 1 . . . . . . . . 5880 1 977 . 1 1 84 84 ILE HB H 1 1.441 0.030 . 1 . . . . . . . . 5880 1 978 . 1 1 84 84 ILE CG2 C 13 21.439 0.600 . 1 . . . . . . . . 5880 1 979 . 1 1 84 84 ILE CG1 C 13 29.730 0.600 . 1 . . . . . . . . 5880 1 980 . 1 1 84 84 ILE HG12 H 1 1.264 0.030 . 1 . . . . . . . . 5880 1 981 . 1 1 84 84 ILE HG13 H 1 0.722 0.030 . 1 . . . . . . . . 5880 1 982 . 1 1 84 84 ILE CD1 C 13 13.680 0.600 . 1 . . . . . . . . 5880 1 983 . 1 1 84 84 ILE HD11 H 1 0.081 0.030 . 1 . . . . . . . . 5880 1 984 . 1 1 84 84 ILE HD12 H 1 0.081 0.030 . 1 . . . . . . . . 5880 1 985 . 1 1 84 84 ILE HD13 H 1 0.081 0.030 . 1 . . . . . . . . 5880 1 986 . 1 1 84 84 ILE HG21 H 1 1.277 0.030 . 1 . . . . . . . . 5880 1 987 . 1 1 84 84 ILE HG22 H 1 1.277 0.030 . 1 . . . . . . . . 5880 1 988 . 1 1 84 84 ILE HG23 H 1 1.277 0.030 . 1 . . . . . . . . 5880 1 989 . 1 1 85 85 THR H H 1 7.660 0.030 . 1 . . . . . . . . 5880 1 990 . 1 1 85 85 THR N N 15 119.676 0.400 . 1 . . . . . . . . 5880 1 991 . 1 1 85 85 THR CA C 13 67.396 0.600 . 1 . . . . . . . . 5880 1 992 . 1 1 85 85 THR HA H 1 3.980 0.030 . 1 . . . . . . . . 5880 1 993 . 1 1 85 85 THR C C 13 176.208 0.600 . 1 . . . . . . . . 5880 1 994 . 1 1 85 85 THR CB C 13 68.502 0.600 . 1 . . . . . . . . 5880 1 995 . 1 1 85 85 THR HB H 1 4.530 0.030 . 1 . . . . . . . . 5880 1 996 . 1 1 85 85 THR CG2 C 13 21.246 0.600 . 1 . . . . . . . . 5880 1 997 . 1 1 85 85 THR HG21 H 1 1.337 0.030 . 1 . . . . . . . . 5880 1 998 . 1 1 85 85 THR HG22 H 1 1.337 0.030 . 1 . . . . . . . . 5880 1 999 . 1 1 85 85 THR HG23 H 1 1.337 0.030 . 1 . . . . . . . . 5880 1 1000 . 1 1 86 86 VAL H H 1 7.720 0.030 . 1 . . . . . . . . 5880 1 1001 . 1 1 86 86 VAL N N 15 122.811 0.400 . 1 . . . . . . . . 5880 1 1002 . 1 1 86 86 VAL CA C 13 67.525 0.600 . 1 . . . . . . . . 5880 1 1003 . 1 1 86 86 VAL HA H 1 3.706 0.030 . 1 . . . . . . . . 5880 1 1004 . 1 1 86 86 VAL C C 13 177.797 0.600 . 1 . . . . . . . . 5880 1 1005 . 1 1 86 86 VAL CB C 13 31.488 0.600 . 1 . . . . . . . . 5880 1 1006 . 1 1 86 86 VAL HB H 1 2.635 0.030 . 1 . . . . . . . . 5880 1 1007 . 1 1 86 86 VAL CG1 C 13 22.681 0.600 . 1 . . . . . . . . 5880 1 1008 . 1 1 86 86 VAL HG11 H 1 0.980 0.030 . 1 . . . . . . . . 5880 1 1009 . 1 1 86 86 VAL HG12 H 1 0.980 0.030 . 1 . . . . . . . . 5880 1 1010 . 1 1 86 86 VAL HG13 H 1 0.980 0.030 . 1 . . . . . . . . 5880 1 1011 . 1 1 86 86 VAL CG2 C 13 23.590 0.600 . 1 . . . . . . . . 5880 1 1012 . 1 1 86 86 VAL HG21 H 1 1.073 0.030 . 1 . . . . . . . . 5880 1 1013 . 1 1 86 86 VAL HG22 H 1 1.073 0.030 . 1 . . . . . . . . 5880 1 1014 . 1 1 86 86 VAL HG23 H 1 1.073 0.030 . 1 . . . . . . . . 5880 1 1015 . 1 1 87 87 TRP H H 1 8.181 0.030 . 1 . . . . . . . . 5880 1 1016 . 1 1 87 87 TRP N N 15 120.559 0.400 . 1 . . . . . . . . 5880 1 1017 . 1 1 87 87 TRP CA C 13 64.096 0.600 . 1 . . . . . . . . 5880 1 1018 . 1 1 87 87 TRP HA H 1 4.393 0.030 . 1 . . . . . . . . 5880 1 1019 . 1 1 87 87 TRP C C 13 177.781 0.600 . 1 . . . . . . . . 5880 1 1020 . 1 1 87 87 TRP CB C 13 28.900 0.600 . 1 . . . . . . . . 5880 1 1021 . 1 1 87 87 TRP HB2 H 1 3.528 0.030 . 1 . . . . . . . . 5880 1 1022 . 1 1 87 87 TRP CD1 C 13 128.000 0.600 . 1 . . . . . . . . 5880 1 1023 . 1 1 87 87 TRP HD1 H 1 7.463 0.030 . 1 . . . . . . . . 5880 1 1024 . 1 1 87 87 TRP NE1 N 15 131.497 0.400 . 1 . . . . . . . . 5880 1 1025 . 1 1 87 87 TRP HE1 H 1 9.186 0.030 . 1 . . . . . . . . 5880 1 1026 . 1 1 87 87 TRP CE3 C 13 120.492 0.600 . 1 . . . . . . . . 5880 1 1027 . 1 1 87 87 TRP HE3 H 1 7.959 0.030 . 1 . . . . . . . . 5880 1 1028 . 1 1 87 87 TRP CZ2 C 13 113.470 0.600 . 1 . . . . . . . . 5880 1 1029 . 1 1 87 87 TRP HZ2 H 1 7.012 0.030 . 1 . . . . . . . . 5880 1 1030 . 1 1 87 87 TRP CZ3 C 13 122.254 0.600 . 1 . . . . . . . . 5880 1 1031 . 1 1 87 87 TRP HZ3 H 1 6.846 0.030 . 1 . . . . . . . . 5880 1 1032 . 1 1 87 87 TRP CH2 C 13 122.695 0.600 . 1 . . . . . . . . 5880 1 1033 . 1 1 87 87 TRP HH2 H 1 6.878 0.030 . 1 . . . . . . . . 5880 1 1034 . 1 1 88 88 GLN H H 1 8.197 0.030 . 1 . . . . . . . . 5880 1 1035 . 1 1 88 88 GLN N N 15 114.864 0.400 . 1 . . . . . . . . 5880 1 1036 . 1 1 88 88 GLN CA C 13 60.150 0.600 . 1 . . . . . . . . 5880 1 1037 . 1 1 88 88 GLN HA H 1 3.805 0.030 . 1 . . . . . . . . 5880 1 1038 . 1 1 88 88 GLN C C 13 177.439 0.600 . 1 . . . . . . . . 5880 1 1039 . 1 1 88 88 GLN CB C 13 27.527 0.600 . 1 . . . . . . . . 5880 1 1040 . 1 1 88 88 GLN HB2 H 1 1.965 0.030 . 1 . . . . . . . . 5880 1 1041 . 1 1 88 88 GLN HB3 H 1 2.280 0.030 . 1 . . . . . . . . 5880 1 1042 . 1 1 88 88 GLN CG C 13 32.722 0.600 . 1 . . . . . . . . 5880 1 1043 . 1 1 88 88 GLN HG2 H 1 2.261 0.030 . 1 . . . . . . . . 5880 1 1044 . 1 1 88 88 GLN HG3 H 1 1.921 0.030 . 1 . . . . . . . . 5880 1 1045 . 1 1 88 88 GLN NE2 N 15 109.483 0.400 . 1 . . . . . . . . 5880 1 1046 . 1 1 88 88 GLN HE21 H 1 6.942 0.030 . 1 . . . . . . . . 5880 1 1047 . 1 1 88 88 GLN HE22 H 1 7.540 0.030 . 1 . . . . . . . . 5880 1 1048 . 1 1 89 89 ASP H H 1 7.895 0.030 . 1 . . . . . . . . 5880 1 1049 . 1 1 89 89 ASP N N 15 119.753 0.400 . 1 . . . . . . . . 5880 1 1050 . 1 1 89 89 ASP CA C 13 58.550 0.600 . 1 . . . . . . . . 5880 1 1051 . 1 1 89 89 ASP HA H 1 4.370 0.030 . 1 . . . . . . . . 5880 1 1052 . 1 1 89 89 ASP CB C 13 44.393 0.600 . 1 . . . . . . . . 5880 1 1053 . 1 1 89 89 ASP HB2 H 1 2.738 0.030 . 1 . . . . . . . . 5880 1 1054 . 1 1 90 90 LEU H H 1 8.487 0.030 . 1 . . . . . . . . 5880 1 1055 . 1 1 90 90 LEU N N 15 117.610 0.400 . 1 . . . . . . . . 5880 1 1056 . 1 1 90 90 LEU CA C 13 57.348 0.600 . 1 . . . . . . . . 5880 1 1057 . 1 1 90 90 LEU HA H 1 3.788 0.030 . 1 . . . . . . . . 5880 1 1058 . 1 1 90 90 LEU C C 13 176.060 0.600 . 1 . . . . . . . . 5880 1 1059 . 1 1 90 90 LEU CB C 13 42.253 0.600 . 1 . . . . . . . . 5880 1 1060 . 1 1 90 90 LEU HB2 H 1 2.036 0.030 . 1 . . . . . . . . 5880 1 1061 . 1 1 90 90 LEU HB3 H 1 1.447 0.030 . 1 . . . . . . . . 5880 1 1062 . 1 1 90 90 LEU CG C 13 26.646 0.600 . 1 . . . . . . . . 5880 1 1063 . 1 1 90 90 LEU CD1 C 13 23.783 0.600 . 1 . . . . . . . . 5880 1 1064 . 1 1 90 90 LEU HD11 H 1 0.703 0.030 . 1 . . . . . . . . 5880 1 1065 . 1 1 90 90 LEU HD12 H 1 0.703 0.030 . 1 . . . . . . . . 5880 1 1066 . 1 1 90 90 LEU HD13 H 1 0.703 0.030 . 1 . . . . . . . . 5880 1 1067 . 1 1 90 90 LEU CD2 C 13 25.560 0.600 . 1 . . . . . . . . 5880 1 1068 . 1 1 90 90 LEU HD21 H 1 0.768 0.030 . 1 . . . . . . . . 5880 1 1069 . 1 1 90 90 LEU HD22 H 1 0.768 0.030 . 1 . . . . . . . . 5880 1 1070 . 1 1 90 90 LEU HD23 H 1 0.768 0.030 . 1 . . . . . . . . 5880 1 1071 . 1 1 90 90 LEU HG H 1 1.727 0.030 . 1 . . . . . . . . 5880 1 1072 . 1 1 91 91 VAL H H 1 7.293 0.030 . 1 . . . . . . . . 5880 1 1073 . 1 1 91 91 VAL N N 15 113.133 0.400 . 1 . . . . . . . . 5880 1 1074 . 1 1 91 91 VAL CA C 13 65.103 0.600 . 1 . . . . . . . . 5880 1 1075 . 1 1 91 91 VAL HA H 1 3.641 0.030 . 1 . . . . . . . . 5880 1 1076 . 1 1 91 91 VAL C C 13 174.901 0.600 . 1 . . . . . . . . 5880 1 1077 . 1 1 91 91 VAL CB C 13 32.345 0.600 . 1 . . . . . . . . 5880 1 1078 . 1 1 91 91 VAL HB H 1 2.074 0.030 . 1 . . . . . . . . 5880 1 1079 . 1 1 91 91 VAL CG1 C 13 22.810 0.600 . 1 . . . . . . . . 5880 1 1080 . 1 1 91 91 VAL HG11 H 1 1.093 0.030 . 1 . . . . . . . . 5880 1 1081 . 1 1 91 91 VAL HG12 H 1 1.093 0.030 . 1 . . . . . . . . 5880 1 1082 . 1 1 91 91 VAL HG13 H 1 1.093 0.030 . 1 . . . . . . . . 5880 1 1083 . 1 1 91 91 VAL CG2 C 13 23.788 0.600 . 1 . . . . . . . . 5880 1 1084 . 1 1 91 91 VAL HG21 H 1 1.284 0.030 . 1 . . . . . . . . 5880 1 1085 . 1 1 91 91 VAL HG22 H 1 1.284 0.030 . 1 . . . . . . . . 5880 1 1086 . 1 1 91 91 VAL HG23 H 1 1.284 0.030 . 1 . . . . . . . . 5880 1 1087 . 1 1 92 92 GLN H H 1 8.484 0.030 . 1 . . . . . . . . 5880 1 1088 . 1 1 92 92 GLN N N 15 118.289 0.400 . 1 . . . . . . . . 5880 1 1089 . 1 1 92 92 GLN CA C 13 59.128 0.600 . 1 . . . . . . . . 5880 1 1090 . 1 1 92 92 GLN HA H 1 4.141 0.030 . 1 . . . . . . . . 5880 1 1091 . 1 1 92 92 GLN C C 13 176.450 0.600 . 1 . . . . . . . . 5880 1 1092 . 1 1 92 92 GLN CB C 13 29.571 0.600 . 1 . . . . . . . . 5880 1 1093 . 1 1 92 92 GLN HB2 H 1 2.029 0.030 . 1 . . . . . . . . 5880 1 1094 . 1 1 92 92 GLN HB3 H 1 2.134 0.030 . 1 . . . . . . . . 5880 1 1095 . 1 1 92 92 GLN CG C 13 36.339 0.600 . 1 . . . . . . . . 5880 1 1096 . 1 1 92 92 GLN HG2 H 1 2.620 0.030 . 1 . . . . . . . . 5880 1 1097 . 1 1 92 92 GLN HG3 H 1 2.341 0.030 . 1 . . . . . . . . 5880 1 1098 . 1 1 92 92 GLN NE2 N 15 112.907 0.400 . 1 . . . . . . . . 5880 1 1099 . 1 1 92 92 GLN HE21 H 1 7.625 0.030 . 1 . . . . . . . . 5880 1 1100 . 1 1 92 92 GLN HE22 H 1 7.238 0.030 . 1 . . . . . . . . 5880 1 1101 . 1 1 93 93 ASN H H 1 8.099 0.030 . 1 . . . . . . . . 5880 1 1102 . 1 1 93 93 ASN N N 15 119.626 0.400 . 1 . . . . . . . . 5880 1 1103 . 1 1 93 93 ASN CA C 13 51.714 0.600 . 1 . . . . . . . . 5880 1 1104 . 1 1 93 93 ASN HA H 1 4.957 0.030 . 1 . . . . . . . . 5880 1 1105 . 1 1 93 93 ASN C C 13 175.167 0.600 . 1 . . . . . . . . 5880 1 1106 . 1 1 93 93 ASN CB C 13 38.481 0.600 . 1 . . . . . . . . 5880 1 1107 . 1 1 93 93 ASN HB2 H 1 2.617 0.030 . 1 . . . . . . . . 5880 1 1108 . 1 1 93 93 ASN ND2 N 15 115.353 0.400 . 1 . . . . . . . . 5880 1 1109 . 1 1 93 93 ASN HD21 H 1 6.881 0.030 . 1 . . . . . . . . 5880 1 1110 . 1 1 93 93 ASN HD22 H 1 7.777 0.030 . 1 . . . . . . . . 5880 1 1111 . 1 1 94 94 SER H H 1 7.790 0.030 . 1 . . . . . . . . 5880 1 1112 . 1 1 94 94 SER N N 15 115.994 0.400 . 1 . . . . . . . . 5880 1 1113 . 1 1 94 94 SER CA C 13 57.257 0.600 . 1 . . . . . . . . 5880 1 1114 . 1 1 94 94 SER HA H 1 4.909 0.030 . 1 . . . . . . . . 5880 1 1115 . 1 1 94 94 SER CB C 13 63.504 0.600 . 1 . . . . . . . . 5880 1 1116 . 1 1 94 94 SER HB2 H 1 3.544 0.030 . 1 . . . . . . . . 5880 1 1117 . 1 1 94 94 SER HB3 H 1 3.731 0.030 . 1 . . . . . . . . 5880 1 1118 . 1 1 95 95 PRO CA C 13 60.572 0.600 . 1 . . . . . . . . 5880 1 1119 . 1 1 95 95 PRO HA H 1 4.721 0.030 . 1 . . . . . . . . 5880 1 1120 . 1 1 95 95 PRO CB C 13 31.052 0.600 . 1 . . . . . . . . 5880 1 1121 . 1 1 95 95 PRO HB2 H 1 2.039 0.030 . 1 . . . . . . . . 5880 1 1122 . 1 1 95 95 PRO HB3 H 1 0.802 0.030 . 1 . . . . . . . . 5880 1 1123 . 1 1 95 95 PRO CG C 13 26.206 0.600 . 1 . . . . . . . . 5880 1 1124 . 1 1 95 95 PRO HG2 H 1 0.063 0.030 . 1 . . . . . . . . 5880 1 1125 . 1 1 95 95 PRO HG3 H 1 1.043 0.030 . 1 . . . . . . . . 5880 1 1126 . 1 1 95 95 PRO CD C 13 50.438 0.600 . 1 . . . . . . . . 5880 1 1127 . 1 1 95 95 PRO HD2 H 1 2.946 0.030 . 1 . . . . . . . . 5880 1 1128 . 1 1 95 95 PRO HD3 H 1 3.638 0.030 . 1 . . . . . . . . 5880 1 1129 . 1 1 96 96 PRO CA C 13 64.807 0.600 . 1 . . . . . . . . 5880 1 1130 . 1 1 96 96 PRO HA H 1 4.193 0.030 . 1 . . . . . . . . 5880 1 1131 . 1 1 96 96 PRO C C 13 176.590 0.600 . 1 . . . . . . . . 5880 1 1132 . 1 1 96 96 PRO CB C 13 31.822 0.600 . 1 . . . . . . . . 5880 1 1133 . 1 1 96 96 PRO HB2 H 1 2.372 0.030 . 1 . . . . . . . . 5880 1 1134 . 1 1 96 96 PRO HB3 H 1 2.009 0.030 . 1 . . . . . . . . 5880 1 1135 . 1 1 96 96 PRO CG C 13 27.968 0.600 . 1 . . . . . . . . 5880 1 1136 . 1 1 96 96 PRO HG2 H 1 2.132 0.030 . 1 . . . . . . . . 5880 1 1137 . 1 1 96 96 PRO HG3 H 1 2.070 0.030 . 1 . . . . . . . . 5880 1 1138 . 1 1 96 96 PRO CD C 13 50.478 0.600 . 1 . . . . . . . . 5880 1 1139 . 1 1 96 96 PRO HD2 H 1 3.751 0.030 . 1 . . . . . . . . 5880 1 1140 . 1 1 96 96 PRO HD3 H 1 3.671 0.030 . 1 . . . . . . . . 5880 1 1141 . 1 1 97 97 TRP H H 1 6.211 0.030 . 1 . . . . . . . . 5880 1 1142 . 1 1 97 97 TRP N N 15 108.919 0.400 . 1 . . . . . . . . 5880 1 1143 . 1 1 97 97 TRP CA C 13 54.097 0.600 . 1 . . . . . . . . 5880 1 1144 . 1 1 97 97 TRP HA H 1 4.507 0.030 . 1 . . . . . . . . 5880 1 1145 . 1 1 97 97 TRP C C 13 176.305 0.600 . 1 . . . . . . . . 5880 1 1146 . 1 1 97 97 TRP CB C 13 27.551 0.600 . 1 . . . . . . . . 5880 1 1147 . 1 1 97 97 TRP HB2 H 1 3.425 0.030 . 1 . . . . . . . . 5880 1 1148 . 1 1 97 97 TRP HB3 H 1 3.052 0.030 . 1 . . . . . . . . 5880 1 1149 . 1 1 97 97 TRP CD1 C 13 127.983 0.600 . 1 . . . . . . . . 5880 1 1150 . 1 1 97 97 TRP HD1 H 1 7.268 0.030 . 1 . . . . . . . . 5880 1 1151 . 1 1 97 97 TRP NE1 N 15 134.432 0.400 . 1 . . . . . . . . 5880 1 1152 . 1 1 97 97 TRP HE1 H 1 11.074 0.030 . 1 . . . . . . . . 5880 1 1153 . 1 1 97 97 TRP CE3 C 13 121.920 0.600 . 1 . . . . . . . . 5880 1 1154 . 1 1 97 97 TRP HE3 H 1 7.069 0.030 . 1 . . . . . . . . 5880 1 1155 . 1 1 97 97 TRP CZ2 C 13 113.443 0.600 . 1 . . . . . . . . 5880 1 1156 . 1 1 97 97 TRP HZ2 H 1 6.919 0.030 . 1 . . . . . . . . 5880 1 1157 . 1 1 97 97 TRP CZ3 C 13 120.933 0.600 . 1 . . . . . . . . 5880 1 1158 . 1 1 97 97 TRP HZ3 H 1 6.674 0.030 . 1 . . . . . . . . 5880 1 1159 . 1 1 97 97 TRP CH2 C 13 123.576 0.600 . 1 . . . . . . . . 5880 1 1160 . 1 1 97 97 TRP HH2 H 1 6.786 0.030 . 1 . . . . . . . . 5880 1 1161 . 1 1 98 98 ILE H H 1 6.689 0.030 . 1 . . . . . . . . 5880 1 1162 . 1 1 98 98 ILE N N 15 119.408 0.400 . 1 . . . . . . . . 5880 1 1163 . 1 1 98 98 ILE CA C 13 62.531 0.600 . 1 . . . . . . . . 5880 1 1164 . 1 1 98 98 ILE HA H 1 3.842 0.030 . 1 . . . . . . . . 5880 1 1165 . 1 1 98 98 ILE C C 13 174.926 0.600 . 1 . . . . . . . . 5880 1 1166 . 1 1 98 98 ILE CB C 13 37.984 0.600 . 1 . . . . . . . . 5880 1 1167 . 1 1 98 98 ILE HB H 1 1.039 0.030 . 1 . . . . . . . . 5880 1 1168 . 1 1 98 98 ILE CG2 C 13 16.151 0.600 . 1 . . . . . . . . 5880 1 1169 . 1 1 98 98 ILE CG1 C 13 27.268 0.600 . 1 . . . . . . . . 5880 1 1170 . 1 1 98 98 ILE HG12 H 1 0.316 0.030 . 1 . . . . . . . . 5880 1 1171 . 1 1 98 98 ILE HG13 H 1 0.098 0.030 . 1 . . . . . . . . 5880 1 1172 . 1 1 98 98 ILE CD1 C 13 13.673 0.600 . 1 . . . . . . . . 5880 1 1173 . 1 1 98 98 ILE HD11 H 1 -0.117 0.030 . 1 . . . . . . . . 5880 1 1174 . 1 1 98 98 ILE HD12 H 1 -0.117 0.030 . 1 . . . . . . . . 5880 1 1175 . 1 1 98 98 ILE HD13 H 1 -0.117 0.030 . 1 . . . . . . . . 5880 1 1176 . 1 1 98 98 ILE HG21 H 1 0.043 0.030 . 1 . . . . . . . . 5880 1 1177 . 1 1 98 98 ILE HG22 H 1 0.043 0.030 . 1 . . . . . . . . 5880 1 1178 . 1 1 98 98 ILE HG23 H 1 0.043 0.030 . 1 . . . . . . . . 5880 1 1179 . 1 1 99 99 LYS H H 1 7.605 0.030 . 1 . . . . . . . . 5880 1 1180 . 1 1 99 99 LYS N N 15 123.330 0.400 . 1 . . . . . . . . 5880 1 1181 . 1 1 99 99 LYS CA C 13 55.712 0.600 . 1 . . . . . . . . 5880 1 1182 . 1 1 99 99 LYS HA H 1 4.370 0.030 . 1 . . . . . . . . 5880 1 1183 . 1 1 99 99 LYS C C 13 176.063 0.600 . 1 . . . . . . . . 5880 1 1184 . 1 1 99 99 LYS CB C 13 33.183 0.600 . 1 . . . . . . . . 5880 1 1185 . 1 1 99 99 LYS HB2 H 1 1.820 0.030 . 1 . . . . . . . . 5880 1 1186 . 1 1 99 99 LYS HB3 H 1 1.725 0.030 . 1 . . . . . . . . 5880 1 1187 . 1 1 99 99 LYS CG C 13 24.553 0.600 . 1 . . . . . . . . 5880 1 1188 . 1 1 99 99 LYS HG2 H 1 1.382 0.030 . 1 . . . . . . . . 5880 1 1189 . 1 1 99 99 LYS HG3 H 1 1.346 0.030 . 1 . . . . . . . . 5880 1 1190 . 1 1 99 99 LYS CD C 13 29.016 0.600 . 1 . . . . . . . . 5880 1 1191 . 1 1 99 99 LYS HD2 H 1 1.657 0.030 . 1 . . . . . . . . 5880 1 1192 . 1 1 99 99 LYS CE C 13 42.203 0.600 . 1 . . . . . . . . 5880 1 1193 . 1 1 99 99 LYS HE2 H 1 2.972 0.030 . 1 . . . . . . . . 5880 1 1194 . 1 1 99 99 LYS HZ1 H 1 6.544 0.030 . 1 . . . . . . . . 5880 1 1195 . 1 1 99 99 LYS HZ2 H 1 6.544 0.030 . 1 . . . . . . . . 5880 1 1196 . 1 1 99 99 LYS HZ3 H 1 6.544 0.030 . 1 . . . . . . . . 5880 1 1197 . 1 1 100 100 SER H H 1 8.310 0.030 . 1 . . . . . . . . 5880 1 1198 . 1 1 100 100 SER N N 15 117.450 0.400 . 1 . . . . . . . . 5880 1 1199 . 1 1 100 100 SER CA C 13 58.384 0.600 . 1 . . . . . . . . 5880 1 1200 . 1 1 100 100 SER HA H 1 4.507 0.030 . 1 . . . . . . . . 5880 1 1201 . 1 1 100 100 SER C C 13 173.952 0.600 . 1 . . . . . . . . 5880 1 1202 . 1 1 100 100 SER CB C 13 63.971 0.600 . 1 . . . . . . . . 5880 1 1203 . 1 1 100 100 SER HB2 H 1 3.902 0.030 . 1 . . . . . . . . 5880 1 1204 . 1 1 101 101 GLY H H 1 8.052 0.030 . 1 . . . . . . . . 5880 1 1205 . 1 1 101 101 GLY N N 15 116.868 0.400 . 1 . . . . . . . . 5880 1 1206 . 1 1 101 101 GLY CA C 13 46.197 0.600 . 1 . . . . . . . . 5880 1 1207 . 1 1 101 101 GLY HA2 H 1 3.790 0.030 . 1 . . . . . . . . 5880 1 1208 . 1 1 102 102 PRO CA C 13 63.260 0.600 . 1 . . . . . . . . 5880 1 1209 . 1 1 102 102 PRO HA H 1 4.510 0.030 . 1 . . . . . . . . 5880 1 1210 . 1 1 102 102 PRO C C 13 177.421 0.600 . 1 . . . . . . . . 5880 1 1211 . 1 1 102 102 PRO CB C 13 32.250 0.600 . 1 . . . . . . . . 5880 1 1212 . 1 1 102 102 PRO HB2 H 1 2.320 0.030 . 1 . . . . . . . . 5880 1 1213 . 1 1 102 102 PRO CG C 13 27.150 0.600 . 1 . . . . . . . . 5880 1 1214 . 1 1 102 102 PRO HG2 H 1 2.040 0.030 . 1 . . . . . . . . 5880 1 1215 . 1 1 102 102 PRO CD C 13 49.880 0.600 . 1 . . . . . . . . 5880 1 1216 . 1 1 102 102 PRO HD2 H 1 3.667 0.030 . 1 . . . . . . . . 5880 1 1217 . 1 1 103 103 SER H H 1 8.533 0.030 . 1 . . . . . . . . 5880 1 1218 . 1 1 103 103 SER N N 15 116.528 0.400 . 1 . . . . . . . . 5880 1 1219 . 1 1 103 103 SER CA C 13 58.373 0.600 . 1 . . . . . . . . 5880 1 1220 . 1 1 103 103 SER HA H 1 4.581 0.030 . 1 . . . . . . . . 5880 1 1221 . 1 1 103 103 SER C C 13 174.786 0.600 . 1 . . . . . . . . 5880 1 1222 . 1 1 103 103 SER CB C 13 64.143 0.600 . 1 . . . . . . . . 5880 1 1223 . 1 1 103 103 SER HB2 H 1 3.908 0.030 . 1 . . . . . . . . 5880 1 1224 . 1 1 104 104 SER H H 1 8.330 0.030 . 1 . . . . . . . . 5880 1 1225 . 1 1 104 104 SER N N 15 117.870 0.400 . 1 . . . . . . . . 5880 1 1226 . 1 1 104 104 SER CA C 13 58.220 0.600 . 1 . . . . . . . . 5880 1 1227 . 1 1 104 104 SER HA H 1 4.530 0.030 . 1 . . . . . . . . 5880 1 1228 . 1 1 104 104 SER C C 13 175.081 0.600 . 1 . . . . . . . . 5880 1 1229 . 1 1 104 104 SER CB C 13 64.150 0.600 . 1 . . . . . . . . 5880 1 1230 . 1 1 104 104 SER HB2 H 1 3.900 0.030 . 1 . . . . . . . . 5880 1 1231 . 1 1 105 105 GLY H H 1 8.270 0.030 . 1 . . . . . . . . 5880 1 1232 . 1 1 105 105 GLY N N 15 110.810 0.400 . 1 . . . . . . . . 5880 1 1233 . 1 1 105 105 GLY CA C 13 44.270 0.600 . 1 . . . . . . . . 5880 1 1234 . 1 1 105 105 GLY HA3 H 1 4.369 0.030 . 1 . . . . . . . . 5880 1 1235 . 1 1 105 105 GLY HA2 H 1 3.897 0.030 . 1 . . . . . . . . 5880 1 stop_ save_