data_10111 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10111 _Entry.Title ; Solution structure of the 6th HMG box of mouse UBF1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-13 _Entry.Accession_date 2007-02-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version production.3.0.2.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Sato . . . 10111 2 K. Saito . . . 10111 3 S. Koshiba . . . 10111 4 M. Inoue . . . 10111 5 T. Kigawa . . . 10111 6 S. Yokoyama . . . 10111 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10111 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10111 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 452 10111 '15N chemical shifts' 107 10111 '1H chemical shifts' 714 10111 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-25 2007-02-13 update BMRB 'update entity name' 10111 1 . . 2008-08-29 2007-02-13 original author 'original release' 10111 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1V63 'BMRB Entry Tracking System' 10111 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10111 _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 6th HMG box of mouse UBF1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 M. Sato . . . 10111 1 2 K. Saito . . . 10111 1 3 S. Koshiba . . . 10111 1 4 M. Inoue . . . 10111 1 5 T. Kigawa . . . 10111 1 6 S. Yokoyama . . . 10111 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10111 _Assembly.ID 1 _Assembly.Name 'Nucleolar transcription factor 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Nucleolar transcription factor 1' 1 $entity_1 A . yes native no no . . . 10111 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 1V63 . . 'solution NMR' . . . 10111 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10111 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Nucleolar transcription factor 1' _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 ; GSSGSSGPKKPPMNGYQKFS QELLSNGELNHLPLKERMVE IGSRWQRISQSQKEHYKKLA EEQQRQYKVHLDLWVKSLSP QDRAAYKEYISNKRKSGPSS G ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1V63 . "Solution Structure Of The 6th Hmg Box Of Mouse Ubf1" . . . . . 100.00 101 100.00 100.00 6.25e-65 . . . . 10111 1 2 no DBJ BAE01971 . "unnamed protein product [Macaca fascicularis]" . . . . . 88.12 400 98.88 100.00 6.56e-55 . . . . 10111 1 3 no DBJ BAE90957 . "unnamed protein product [Macaca fascicularis]" . . . . . 88.12 452 98.88 100.00 2.79e-54 . . . . 10111 1 4 no GB ERE68360 . "nucleolar transcription factor 1 [Cricetulus griseus]" . . . . . 88.12 620 97.75 100.00 3.24e-52 . . . . 10111 1 5 no GB KFO25262 . "Band 3 anion transport protein [Fukomys damarensis]" . . . . . 68.32 1806 98.55 100.00 5.51e-37 . . . . 10111 1 6 no REF XP_010641312 . "PREDICTED: nucleolar transcription factor 1, partial [Fukomys damarensis]" . . . . . 84.16 544 98.82 100.00 8.83e-50 . . . . 10111 1 7 no REF XP_537622 . "PREDICTED: nucleolar transcription factor 1 [Canis lupus familiaris]" . . . . . 88.12 552 98.88 100.00 6.89e-53 . . . . 10111 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HMG box domain' . 10111 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 . 10111 1 2 . SER . 10111 1 3 . SER . 10111 1 4 . GLY . 10111 1 5 . SER . 10111 1 6 . SER . 10111 1 7 . GLY . 10111 1 8 . PRO . 10111 1 9 . LYS . 10111 1 10 . LYS . 10111 1 11 . PRO . 10111 1 12 . PRO . 10111 1 13 . MET . 10111 1 14 . ASN . 10111 1 15 . GLY . 10111 1 16 . TYR . 10111 1 17 . GLN . 10111 1 18 . LYS . 10111 1 19 . PHE . 10111 1 20 . SER . 10111 1 21 . GLN . 10111 1 22 . GLU . 10111 1 23 . LEU . 10111 1 24 . LEU . 10111 1 25 . SER . 10111 1 26 . ASN . 10111 1 27 . GLY . 10111 1 28 . GLU . 10111 1 29 . LEU . 10111 1 30 . ASN . 10111 1 31 . HIS . 10111 1 32 . LEU . 10111 1 33 . PRO . 10111 1 34 . LEU . 10111 1 35 . LYS . 10111 1 36 . GLU . 10111 1 37 . ARG . 10111 1 38 . MET . 10111 1 39 . VAL . 10111 1 40 . GLU . 10111 1 41 . ILE . 10111 1 42 . GLY . 10111 1 43 . SER . 10111 1 44 . ARG . 10111 1 45 . TRP . 10111 1 46 . GLN . 10111 1 47 . ARG . 10111 1 48 . ILE . 10111 1 49 . SER . 10111 1 50 . GLN . 10111 1 51 . SER . 10111 1 52 . GLN . 10111 1 53 . LYS . 10111 1 54 . GLU . 10111 1 55 . HIS . 10111 1 56 . TYR . 10111 1 57 . LYS . 10111 1 58 . LYS . 10111 1 59 . LEU . 10111 1 60 . ALA . 10111 1 61 . GLU . 10111 1 62 . GLU . 10111 1 63 . GLN . 10111 1 64 . GLN . 10111 1 65 . ARG . 10111 1 66 . GLN . 10111 1 67 . TYR . 10111 1 68 . LYS . 10111 1 69 . VAL . 10111 1 70 . HIS . 10111 1 71 . LEU . 10111 1 72 . ASP . 10111 1 73 . LEU . 10111 1 74 . TRP . 10111 1 75 . VAL . 10111 1 76 . LYS . 10111 1 77 . SER . 10111 1 78 . LEU . 10111 1 79 . SER . 10111 1 80 . PRO . 10111 1 81 . GLN . 10111 1 82 . ASP . 10111 1 83 . ARG . 10111 1 84 . ALA . 10111 1 85 . ALA . 10111 1 86 . TYR . 10111 1 87 . LYS . 10111 1 88 . GLU . 10111 1 89 . TYR . 10111 1 90 . ILE . 10111 1 91 . SER . 10111 1 92 . ASN . 10111 1 93 . LYS . 10111 1 94 . ARG . 10111 1 95 . LYS . 10111 1 96 . SER . 10111 1 97 . GLY . 10111 1 98 . PRO . 10111 1 99 . SER . 10111 1 100 . SER . 10111 1 101 . GLY . 10111 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 10111 1 . SER 2 2 10111 1 . SER 3 3 10111 1 . GLY 4 4 10111 1 . SER 5 5 10111 1 . SER 6 6 10111 1 . GLY 7 7 10111 1 . PRO 8 8 10111 1 . LYS 9 9 10111 1 . LYS 10 10 10111 1 . PRO 11 11 10111 1 . PRO 12 12 10111 1 . MET 13 13 10111 1 . ASN 14 14 10111 1 . GLY 15 15 10111 1 . TYR 16 16 10111 1 . GLN 17 17 10111 1 . LYS 18 18 10111 1 . PHE 19 19 10111 1 . SER 20 20 10111 1 . GLN 21 21 10111 1 . GLU 22 22 10111 1 . LEU 23 23 10111 1 . LEU 24 24 10111 1 . SER 25 25 10111 1 . ASN 26 26 10111 1 . GLY 27 27 10111 1 . GLU 28 28 10111 1 . LEU 29 29 10111 1 . ASN 30 30 10111 1 . HIS 31 31 10111 1 . LEU 32 32 10111 1 . PRO 33 33 10111 1 . LEU 34 34 10111 1 . LYS 35 35 10111 1 . GLU 36 36 10111 1 . ARG 37 37 10111 1 . MET 38 38 10111 1 . VAL 39 39 10111 1 . GLU 40 40 10111 1 . ILE 41 41 10111 1 . GLY 42 42 10111 1 . SER 43 43 10111 1 . ARG 44 44 10111 1 . TRP 45 45 10111 1 . GLN 46 46 10111 1 . ARG 47 47 10111 1 . ILE 48 48 10111 1 . SER 49 49 10111 1 . GLN 50 50 10111 1 . SER 51 51 10111 1 . GLN 52 52 10111 1 . LYS 53 53 10111 1 . GLU 54 54 10111 1 . HIS 55 55 10111 1 . TYR 56 56 10111 1 . LYS 57 57 10111 1 . LYS 58 58 10111 1 . LEU 59 59 10111 1 . ALA 60 60 10111 1 . GLU 61 61 10111 1 . GLU 62 62 10111 1 . GLN 63 63 10111 1 . GLN 64 64 10111 1 . ARG 65 65 10111 1 . GLN 66 66 10111 1 . TYR 67 67 10111 1 . LYS 68 68 10111 1 . VAL 69 69 10111 1 . HIS 70 70 10111 1 . LEU 71 71 10111 1 . ASP 72 72 10111 1 . LEU 73 73 10111 1 . TRP 74 74 10111 1 . VAL 75 75 10111 1 . LYS 76 76 10111 1 . SER 77 77 10111 1 . LEU 78 78 10111 1 . SER 79 79 10111 1 . PRO 80 80 10111 1 . GLN 81 81 10111 1 . ASP 82 82 10111 1 . ARG 83 83 10111 1 . ALA 84 84 10111 1 . ALA 85 85 10111 1 . TYR 86 86 10111 1 . LYS 87 87 10111 1 . GLU 88 88 10111 1 . TYR 89 89 10111 1 . ILE 90 90 10111 1 . SER 91 91 10111 1 . ASN 92 92 10111 1 . LYS 93 93 10111 1 . ARG 94 94 10111 1 . LYS 95 95 10111 1 . SER 96 96 10111 1 . GLY 97 97 10111 1 . PRO 98 98 10111 1 . SER 99 99 10111 1 . SER 100 100 10111 1 . GLY 101 101 10111 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 10111 _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 $entity_1 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10111 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 10111 _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 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P030107-54 . . . . . . 10111 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10111 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HMG box domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 10111 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10111 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10111 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10111 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10111 1 6 H2O . . . . . . solvent 90 . . % . . . . 10111 1 7 D2O . . . . . . solvent 10 . . % . . . . 10111 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10111 _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' 120 0.1 mM 10111 1 pH 6.0 0.05 pH 10111 1 pressure 1 0.001 atm 10111 1 temperature 298 0.1 K 10111 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10111 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10111 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10111 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10111 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10111 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10111 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10111 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10111 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10111 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10111 _Software.ID 4 _Software.Name Kujira _Software.Version 0.816 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10111 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10111 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10111 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10111 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10111 5 'structure solution' 10111 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10111 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10111 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10111 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 10111 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10111 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10111 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10111 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10111 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10111 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10111 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10111 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10111 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10111 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.578 0.030 . 1 . . . . 2 SER HA . 10111 1 2 . 1 1 2 2 SER HB2 H 1 3.941 0.030 . 2 . . . . 2 SER HB2 . 10111 1 3 . 1 1 2 2 SER HB3 H 1 3.879 0.030 . 2 . . . . 2 SER HB3 . 10111 1 4 . 1 1 2 2 SER C C 13 174.833 0.300 . 1 . . . . 2 SER C . 10111 1 5 . 1 1 2 2 SER CA C 13 58.331 0.300 . 1 . . . . 2 SER CA . 10111 1 6 . 1 1 2 2 SER CB C 13 63.831 0.300 . 1 . . . . 2 SER CB . 10111 1 7 . 1 1 3 3 SER H H 1 8.608 0.030 . 1 . . . . 3 SER H . 10111 1 8 . 1 1 3 3 SER HA H 1 4.503 0.030 . 1 . . . . 3 SER HA . 10111 1 9 . 1 1 3 3 SER HB2 H 1 3.926 0.030 . 2 . . . . 3 SER HB2 . 10111 1 10 . 1 1 3 3 SER HB3 H 1 3.864 0.030 . 2 . . . . 3 SER HB3 . 10111 1 11 . 1 1 3 3 SER C C 13 175.174 0.300 . 1 . . . . 3 SER C . 10111 1 12 . 1 1 3 3 SER CA C 13 58.720 0.300 . 1 . . . . 3 SER CA . 10111 1 13 . 1 1 3 3 SER CB C 13 63.790 0.300 . 1 . . . . 3 SER CB . 10111 1 14 . 1 1 3 3 SER N N 15 118.224 0.300 . 1 . . . . 3 SER N . 10111 1 15 . 1 1 4 4 GLY H H 1 8.494 0.030 . 1 . . . . 4 GLY H . 10111 1 16 . 1 1 4 4 GLY HA2 H 1 4.040 0.030 . 1 . . . . 4 GLY HA2 . 10111 1 17 . 1 1 4 4 GLY HA3 H 1 4.040 0.030 . 1 . . . . 4 GLY HA3 . 10111 1 18 . 1 1 4 4 GLY C C 13 174.360 0.300 . 1 . . . . 4 GLY C . 10111 1 19 . 1 1 4 4 GLY CA C 13 45.535 0.300 . 1 . . . . 4 GLY CA . 10111 1 20 . 1 1 4 4 GLY N N 15 110.897 0.300 . 1 . . . . 4 GLY N . 10111 1 21 . 1 1 5 5 SER H H 1 8.250 0.030 . 1 . . . . 5 SER H . 10111 1 22 . 1 1 5 5 SER HA H 1 4.515 0.030 . 1 . . . . 5 SER HA . 10111 1 23 . 1 1 5 5 SER HB2 H 1 3.938 0.030 . 1 . . . . 5 SER HB2 . 10111 1 24 . 1 1 5 5 SER HB3 H 1 3.938 0.030 . 1 . . . . 5 SER HB3 . 10111 1 25 . 1 1 5 5 SER C C 13 174.686 0.300 . 1 . . . . 5 SER C . 10111 1 26 . 1 1 5 5 SER CA C 13 58.420 0.300 . 1 . . . . 5 SER CA . 10111 1 27 . 1 1 5 5 SER CB C 13 63.849 0.300 . 1 . . . . 5 SER CB . 10111 1 28 . 1 1 5 5 SER N N 15 115.475 0.300 . 1 . . . . 5 SER N . 10111 1 29 . 1 1 6 6 SER H H 1 8.303 0.030 . 1 . . . . 6 SER H . 10111 1 30 . 1 1 6 6 SER HA H 1 4.515 0.030 . 1 . . . . 6 SER HA . 10111 1 31 . 1 1 6 6 SER HB2 H 1 3.926 0.030 . 2 . . . . 6 SER HB2 . 10111 1 32 . 1 1 6 6 SER HB3 H 1 3.864 0.030 . 2 . . . . 6 SER HB3 . 10111 1 33 . 1 1 6 6 SER C C 13 173.933 0.300 . 1 . . . . 6 SER C . 10111 1 34 . 1 1 6 6 SER CA C 13 58.403 0.300 . 1 . . . . 6 SER CA . 10111 1 35 . 1 1 6 6 SER CB C 13 64.014 0.300 . 1 . . . . 6 SER CB . 10111 1 36 . 1 1 6 6 SER N N 15 117.737 0.300 . 1 . . . . 6 SER N . 10111 1 37 . 1 1 7 7 GLY H H 1 7.863 0.030 . 1 . . . . 7 GLY H . 10111 1 38 . 1 1 7 7 GLY HA2 H 1 3.936 0.030 . 1 . . . . 7 GLY HA2 . 10111 1 39 . 1 1 7 7 GLY HA3 H 1 3.936 0.030 . 1 . . . . 7 GLY HA3 . 10111 1 40 . 1 1 7 7 GLY C C 13 171.212 0.300 . 1 . . . . 7 GLY C . 10111 1 41 . 1 1 7 7 GLY CA C 13 43.530 0.300 . 1 . . . . 7 GLY CA . 10111 1 42 . 1 1 7 7 GLY N N 15 110.496 0.300 . 1 . . . . 7 GLY N . 10111 1 43 . 1 1 8 8 PRO HA H 1 4.290 0.030 . 1 . . . . 8 PRO HA . 10111 1 44 . 1 1 8 8 PRO HB2 H 1 2.208 0.030 . 2 . . . . 8 PRO HB2 . 10111 1 45 . 1 1 8 8 PRO HB3 H 1 1.937 0.030 . 2 . . . . 8 PRO HB3 . 10111 1 46 . 1 1 8 8 PRO HG2 H 1 1.729 0.030 . 2 . . . . 8 PRO HG2 . 10111 1 47 . 1 1 8 8 PRO HG3 H 1 1.597 0.030 . 2 . . . . 8 PRO HG3 . 10111 1 48 . 1 1 8 8 PRO HD2 H 1 3.030 0.030 . 2 . . . . 8 PRO HD2 . 10111 1 49 . 1 1 8 8 PRO HD3 H 1 2.905 0.030 . 2 . . . . 8 PRO HD3 . 10111 1 50 . 1 1 8 8 PRO C C 13 176.514 0.300 . 1 . . . . 8 PRO C . 10111 1 51 . 1 1 8 8 PRO CA C 13 62.556 0.300 . 1 . . . . 8 PRO CA . 10111 1 52 . 1 1 8 8 PRO CB C 13 31.741 0.300 . 1 . . . . 8 PRO CB . 10111 1 53 . 1 1 8 8 PRO CG C 13 26.999 0.300 . 1 . . . . 8 PRO CG . 10111 1 54 . 1 1 8 8 PRO CD C 13 48.956 0.300 . 1 . . . . 8 PRO CD . 10111 1 55 . 1 1 9 9 LYS H H 1 8.427 0.030 . 1 . . . . 9 LYS H . 10111 1 56 . 1 1 9 9 LYS HA H 1 4.170 0.030 . 1 . . . . 9 LYS HA . 10111 1 57 . 1 1 9 9 LYS HB2 H 1 1.719 0.030 . 1 . . . . 9 LYS HB2 . 10111 1 58 . 1 1 9 9 LYS HB3 H 1 1.719 0.030 . 1 . . . . 9 LYS HB3 . 10111 1 59 . 1 1 9 9 LYS HG2 H 1 1.447 0.030 . 1 . . . . 9 LYS HG2 . 10111 1 60 . 1 1 9 9 LYS HG3 H 1 1.447 0.030 . 1 . . . . 9 LYS HG3 . 10111 1 61 . 1 1 9 9 LYS HD2 H 1 1.642 0.030 . 1 . . . . 9 LYS HD2 . 10111 1 62 . 1 1 9 9 LYS HD3 H 1 1.642 0.030 . 1 . . . . 9 LYS HD3 . 10111 1 63 . 1 1 9 9 LYS HE2 H 1 2.988 0.030 . 1 . . . . 9 LYS HE2 . 10111 1 64 . 1 1 9 9 LYS HE3 H 1 2.988 0.030 . 1 . . . . 9 LYS HE3 . 10111 1 65 . 1 1 9 9 LYS C C 13 176.366 0.300 . 1 . . . . 9 LYS C . 10111 1 66 . 1 1 9 9 LYS CA C 13 56.188 0.300 . 1 . . . . 9 LYS CA . 10111 1 67 . 1 1 9 9 LYS CB C 13 32.909 0.300 . 1 . . . . 9 LYS CB . 10111 1 68 . 1 1 9 9 LYS CG C 13 24.853 0.300 . 1 . . . . 9 LYS CG . 10111 1 69 . 1 1 9 9 LYS CD C 13 29.142 0.300 . 1 . . . . 9 LYS CD . 10111 1 70 . 1 1 9 9 LYS CE C 13 42.243 0.300 . 1 . . . . 9 LYS CE . 10111 1 71 . 1 1 9 9 LYS N N 15 122.854 0.300 . 1 . . . . 9 LYS N . 10111 1 72 . 1 1 10 10 LYS H H 1 8.334 0.030 . 1 . . . . 10 LYS H . 10111 1 73 . 1 1 10 10 LYS HA H 1 3.839 0.030 . 1 . . . . 10 LYS HA . 10111 1 74 . 1 1 10 10 LYS HB2 H 1 1.647 0.030 . 2 . . . . 10 LYS HB2 . 10111 1 75 . 1 1 10 10 LYS HB3 H 1 1.589 0.030 . 2 . . . . 10 LYS HB3 . 10111 1 76 . 1 1 10 10 LYS HG2 H 1 1.447 0.030 . 2 . . . . 10 LYS HG2 . 10111 1 77 . 1 1 10 10 LYS HG3 H 1 1.360 0.030 . 2 . . . . 10 LYS HG3 . 10111 1 78 . 1 1 10 10 LYS HD2 H 1 1.643 0.030 . 1 . . . . 10 LYS HD2 . 10111 1 79 . 1 1 10 10 LYS HD3 H 1 1.643 0.030 . 1 . . . . 10 LYS HD3 . 10111 1 80 . 1 1 10 10 LYS HE2 H 1 3.000 0.030 . 1 . . . . 10 LYS HE2 . 10111 1 81 . 1 1 10 10 LYS HE3 H 1 3.000 0.030 . 1 . . . . 10 LYS HE3 . 10111 1 82 . 1 1 10 10 LYS C C 13 174.639 0.300 . 1 . . . . 10 LYS C . 10111 1 83 . 1 1 10 10 LYS CA C 13 54.722 0.300 . 1 . . . . 10 LYS CA . 10111 1 84 . 1 1 10 10 LYS CB C 13 31.797 0.300 . 1 . . . . 10 LYS CB . 10111 1 85 . 1 1 10 10 LYS CG C 13 25.210 0.300 . 1 . . . . 10 LYS CG . 10111 1 86 . 1 1 10 10 LYS CD C 13 29.374 0.300 . 1 . . . . 10 LYS CD . 10111 1 87 . 1 1 10 10 LYS CE C 13 42.674 0.300 . 1 . . . . 10 LYS CE . 10111 1 88 . 1 1 10 10 LYS N N 15 124.158 0.300 . 1 . . . . 10 LYS N . 10111 1 89 . 1 1 11 11 PRO HA H 1 4.738 0.030 . 1 . . . . 11 PRO HA . 10111 1 90 . 1 1 11 11 PRO HB2 H 1 2.047 0.030 . 2 . . . . 11 PRO HB2 . 10111 1 91 . 1 1 11 11 PRO HB3 H 1 1.815 0.030 . 2 . . . . 11 PRO HB3 . 10111 1 92 . 1 1 11 11 PRO HG2 H 1 1.739 0.030 . 2 . . . . 11 PRO HG2 . 10111 1 93 . 1 1 11 11 PRO HG3 H 1 1.795 0.030 . 2 . . . . 11 PRO HG3 . 10111 1 94 . 1 1 11 11 PRO HD2 H 1 3.062 0.030 . 2 . . . . 11 PRO HD2 . 10111 1 95 . 1 1 11 11 PRO HD3 H 1 2.924 0.030 . 2 . . . . 11 PRO HD3 . 10111 1 96 . 1 1 11 11 PRO CA C 13 61.393 0.300 . 1 . . . . 11 PRO CA . 10111 1 97 . 1 1 11 11 PRO CB C 13 30.609 0.300 . 1 . . . . 11 PRO CB . 10111 1 98 . 1 1 11 11 PRO CG C 13 26.799 0.300 . 1 . . . . 11 PRO CG . 10111 1 99 . 1 1 11 11 PRO CD C 13 51.114 0.300 . 1 . . . . 11 PRO CD . 10111 1 100 . 1 1 12 12 PRO HA H 1 4.436 0.030 . 1 . . . . 12 PRO HA . 10111 1 101 . 1 1 12 12 PRO HB2 H 1 2.076 0.030 . 2 . . . . 12 PRO HB2 . 10111 1 102 . 1 1 12 12 PRO HB3 H 1 1.898 0.030 . 2 . . . . 12 PRO HB3 . 10111 1 103 . 1 1 12 12 PRO HG2 H 1 2.084 0.030 . 2 . . . . 12 PRO HG2 . 10111 1 104 . 1 1 12 12 PRO HG3 H 1 2.010 0.030 . 2 . . . . 12 PRO HG3 . 10111 1 105 . 1 1 12 12 PRO HD2 H 1 3.749 0.030 . 2 . . . . 12 PRO HD2 . 10111 1 106 . 1 1 12 12 PRO HD3 H 1 3.542 0.030 . 2 . . . . 12 PRO HD3 . 10111 1 107 . 1 1 12 12 PRO CA C 13 62.386 0.300 . 1 . . . . 12 PRO CA . 10111 1 108 . 1 1 12 12 PRO CB C 13 31.848 0.300 . 1 . . . . 12 PRO CB . 10111 1 109 . 1 1 12 12 PRO CG C 13 27.685 0.300 . 1 . . . . 12 PRO CG . 10111 1 110 . 1 1 12 12 PRO CD C 13 50.313 0.300 . 1 . . . . 12 PRO CD . 10111 1 111 . 1 1 13 13 MET H H 1 8.404 0.030 . 1 . . . . 13 MET H . 10111 1 112 . 1 1 13 13 MET HA H 1 4.371 0.030 . 1 . . . . 13 MET HA . 10111 1 113 . 1 1 13 13 MET HB2 H 1 2.081 0.030 . 2 . . . . 13 MET HB2 . 10111 1 114 . 1 1 13 13 MET HB3 H 1 1.908 0.030 . 2 . . . . 13 MET HB3 . 10111 1 115 . 1 1 13 13 MET HG2 H 1 2.672 0.030 . 2 . . . . 13 MET HG2 . 10111 1 116 . 1 1 13 13 MET HG3 H 1 2.554 0.030 . 2 . . . . 13 MET HG3 . 10111 1 117 . 1 1 13 13 MET HE1 H 1 2.054 0.030 . 1 . . . . 13 MET HE . 10111 1 118 . 1 1 13 13 MET HE2 H 1 2.054 0.030 . 1 . . . . 13 MET HE . 10111 1 119 . 1 1 13 13 MET HE3 H 1 2.054 0.030 . 1 . . . . 13 MET HE . 10111 1 120 . 1 1 13 13 MET CA C 13 55.754 0.300 . 1 . . . . 13 MET CA . 10111 1 121 . 1 1 13 13 MET CB C 13 33.049 0.300 . 1 . . . . 13 MET CB . 10111 1 122 . 1 1 13 13 MET CG C 13 32.047 0.300 . 1 . . . . 13 MET CG . 10111 1 123 . 1 1 13 13 MET CE C 13 16.671 0.300 . 1 . . . . 13 MET CE . 10111 1 124 . 1 1 13 13 MET N N 15 118.762 0.300 . 1 . . . . 13 MET N . 10111 1 125 . 1 1 14 14 ASN H H 1 8.421 0.030 . 1 . . . . 14 ASN H . 10111 1 126 . 1 1 14 14 ASN HA H 1 4.737 0.030 . 1 . . . . 14 ASN HA . 10111 1 127 . 1 1 14 14 ASN HB2 H 1 3.271 0.030 . 2 . . . . 14 ASN HB2 . 10111 1 128 . 1 1 14 14 ASN HB3 H 1 3.190 0.030 . 2 . . . . 14 ASN HB3 . 10111 1 129 . 1 1 14 14 ASN HD21 H 1 7.573 0.030 . 2 . . . . 14 ASN HD21 . 10111 1 130 . 1 1 14 14 ASN HD22 H 1 6.899 0.030 . 2 . . . . 14 ASN HD22 . 10111 1 131 . 1 1 14 14 ASN C C 13 175.076 0.300 . 1 . . . . 14 ASN C . 10111 1 132 . 1 1 14 14 ASN CA C 13 51.716 0.300 . 1 . . . . 14 ASN CA . 10111 1 133 . 1 1 14 14 ASN CB C 13 39.175 0.300 . 1 . . . . 14 ASN CB . 10111 1 134 . 1 1 14 14 ASN ND2 N 15 112.663 0.300 . 1 . . . . 14 ASN ND2 . 10111 1 135 . 1 1 15 15 GLY H H 1 9.217 0.030 . 1 . . . . 15 GLY H . 10111 1 136 . 1 1 15 15 GLY HA2 H 1 3.845 0.030 . 1 . . . . 15 GLY HA2 . 10111 1 137 . 1 1 15 15 GLY HA3 H 1 3.845 0.030 . 1 . . . . 15 GLY HA3 . 10111 1 138 . 1 1 15 15 GLY C C 13 173.884 0.300 . 1 . . . . 15 GLY C . 10111 1 139 . 1 1 15 15 GLY CA C 13 46.941 0.300 . 1 . . . . 15 GLY CA . 10111 1 140 . 1 1 15 15 GLY N N 15 107.175 0.300 . 1 . . . . 15 GLY N . 10111 1 141 . 1 1 16 16 TYR H H 1 8.088 0.030 . 1 . . . . 16 TYR H . 10111 1 142 . 1 1 16 16 TYR HA H 1 2.498 0.030 . 1 . . . . 16 TYR HA . 10111 1 143 . 1 1 16 16 TYR HB2 H 1 2.401 0.030 . 2 . . . . 16 TYR HB2 . 10111 1 144 . 1 1 16 16 TYR HB3 H 1 1.999 0.030 . 2 . . . . 16 TYR HB3 . 10111 1 145 . 1 1 16 16 TYR HD1 H 1 5.988 0.030 . 1 . . . . 16 TYR HD1 . 10111 1 146 . 1 1 16 16 TYR HD2 H 1 5.988 0.030 . 1 . . . . 16 TYR HD2 . 10111 1 147 . 1 1 16 16 TYR HE1 H 1 6.551 0.030 . 1 . . . . 16 TYR HE1 . 10111 1 148 . 1 1 16 16 TYR HE2 H 1 6.551 0.030 . 1 . . . . 16 TYR HE2 . 10111 1 149 . 1 1 16 16 TYR C C 13 178.167 0.300 . 1 . . . . 16 TYR C . 10111 1 150 . 1 1 16 16 TYR CA C 13 60.136 0.300 . 1 . . . . 16 TYR CA . 10111 1 151 . 1 1 16 16 TYR CB C 13 37.368 0.300 . 1 . . . . 16 TYR CB . 10111 1 152 . 1 1 16 16 TYR CD1 C 13 132.615 0.300 . 1 . . . . 16 TYR CD1 . 10111 1 153 . 1 1 16 16 TYR CD2 C 13 132.615 0.300 . 1 . . . . 16 TYR CD2 . 10111 1 154 . 1 1 16 16 TYR CE1 C 13 117.639 0.300 . 1 . . . . 16 TYR CE1 . 10111 1 155 . 1 1 16 16 TYR CE2 C 13 117.639 0.300 . 1 . . . . 16 TYR CE2 . 10111 1 156 . 1 1 16 16 TYR N N 15 123.978 0.300 . 1 . . . . 16 TYR N . 10111 1 157 . 1 1 17 17 GLN H H 1 8.558 0.030 . 1 . . . . 17 GLN H . 10111 1 158 . 1 1 17 17 GLN HA H 1 3.696 0.030 . 1 . . . . 17 GLN HA . 10111 1 159 . 1 1 17 17 GLN HB2 H 1 2.087 0.030 . 2 . . . . 17 GLN HB2 . 10111 1 160 . 1 1 17 17 GLN HB3 H 1 1.905 0.030 . 2 . . . . 17 GLN HB3 . 10111 1 161 . 1 1 17 17 GLN HG2 H 1 2.727 0.030 . 2 . . . . 17 GLN HG2 . 10111 1 162 . 1 1 17 17 GLN HG3 H 1 2.450 0.030 . 2 . . . . 17 GLN HG3 . 10111 1 163 . 1 1 17 17 GLN HE21 H 1 7.537 0.030 . 2 . . . . 17 GLN HE21 . 10111 1 164 . 1 1 17 17 GLN HE22 H 1 6.963 0.030 . 2 . . . . 17 GLN HE22 . 10111 1 165 . 1 1 17 17 GLN C C 13 178.398 0.300 . 1 . . . . 17 GLN C . 10111 1 166 . 1 1 17 17 GLN CA C 13 59.036 0.300 . 1 . . . . 17 GLN CA . 10111 1 167 . 1 1 17 17 GLN CB C 13 28.266 0.300 . 1 . . . . 17 GLN CB . 10111 1 168 . 1 1 17 17 GLN CG C 13 34.250 0.300 . 1 . . . . 17 GLN CG . 10111 1 169 . 1 1 17 17 GLN N N 15 118.997 0.300 . 1 . . . . 17 GLN N . 10111 1 170 . 1 1 17 17 GLN NE2 N 15 112.192 0.300 . 1 . . . . 17 GLN NE2 . 10111 1 171 . 1 1 18 18 LYS H H 1 7.651 0.030 . 1 . . . . 18 LYS H . 10111 1 172 . 1 1 18 18 LYS HA H 1 4.101 0.030 . 1 . . . . 18 LYS HA . 10111 1 173 . 1 1 18 18 LYS HB2 H 1 2.469 0.030 . 2 . . . . 18 LYS HB2 . 10111 1 174 . 1 1 18 18 LYS HB3 H 1 1.752 0.030 . 2 . . . . 18 LYS HB3 . 10111 1 175 . 1 1 18 18 LYS HG2 H 1 1.778 0.030 . 2 . . . . 18 LYS HG2 . 10111 1 176 . 1 1 18 18 LYS HG3 H 1 1.625 0.030 . 2 . . . . 18 LYS HG3 . 10111 1 177 . 1 1 18 18 LYS HD2 H 1 1.810 0.030 . 2 . . . . 18 LYS HD2 . 10111 1 178 . 1 1 18 18 LYS HE2 H 1 2.988 0.030 . 2 . . . . 18 LYS HE2 . 10111 1 179 . 1 1 18 18 LYS HE3 H 1 2.935 0.030 . 2 . . . . 18 LYS HE3 . 10111 1 180 . 1 1 18 18 LYS C C 13 176.818 0.300 . 1 . . . . 18 LYS C . 10111 1 181 . 1 1 18 18 LYS CA C 13 58.468 0.300 . 1 . . . . 18 LYS CA . 10111 1 182 . 1 1 18 18 LYS CB C 13 32.497 0.300 . 1 . . . . 18 LYS CB . 10111 1 183 . 1 1 18 18 LYS CG C 13 25.250 0.300 . 1 . . . . 18 LYS CG . 10111 1 184 . 1 1 18 18 LYS CD C 13 29.126 0.300 . 1 . . . . 18 LYS CD . 10111 1 185 . 1 1 18 18 LYS CE C 13 42.113 0.300 . 1 . . . . 18 LYS CE . 10111 1 186 . 1 1 18 18 LYS N N 15 120.945 0.300 . 1 . . . . 18 LYS N . 10111 1 187 . 1 1 19 19 PHE H H 1 8.267 0.030 . 1 . . . . 19 PHE H . 10111 1 188 . 1 1 19 19 PHE HA H 1 3.726 0.030 . 1 . . . . 19 PHE HA . 10111 1 189 . 1 1 19 19 PHE HB2 H 1 2.625 0.030 . 2 . . . . 19 PHE HB2 . 10111 1 190 . 1 1 19 19 PHE HB3 H 1 2.321 0.030 . 2 . . . . 19 PHE HB3 . 10111 1 191 . 1 1 19 19 PHE HD1 H 1 6.580 0.030 . 1 . . . . 19 PHE HD1 . 10111 1 192 . 1 1 19 19 PHE HD2 H 1 6.580 0.030 . 1 . . . . 19 PHE HD2 . 10111 1 193 . 1 1 19 19 PHE HE1 H 1 7.537 0.030 . 1 . . . . 19 PHE HE1 . 10111 1 194 . 1 1 19 19 PHE HE2 H 1 7.537 0.030 . 1 . . . . 19 PHE HE2 . 10111 1 195 . 1 1 19 19 PHE HZ H 1 7.176 0.030 . 1 . . . . 19 PHE HZ . 10111 1 196 . 1 1 19 19 PHE C C 13 176.670 0.300 . 1 . . . . 19 PHE C . 10111 1 197 . 1 1 19 19 PHE CA C 13 61.357 0.300 . 1 . . . . 19 PHE CA . 10111 1 198 . 1 1 19 19 PHE CB C 13 40.191 0.300 . 1 . . . . 19 PHE CB . 10111 1 199 . 1 1 19 19 PHE CD1 C 13 132.282 0.300 . 1 . . . . 19 PHE CD1 . 10111 1 200 . 1 1 19 19 PHE CD2 C 13 132.282 0.300 . 1 . . . . 19 PHE CD2 . 10111 1 201 . 1 1 19 19 PHE CE1 C 13 131.696 0.300 . 1 . . . . 19 PHE CE1 . 10111 1 202 . 1 1 19 19 PHE CE2 C 13 131.696 0.300 . 1 . . . . 19 PHE CE2 . 10111 1 203 . 1 1 19 19 PHE CZ C 13 129.626 0.300 . 1 . . . . 19 PHE CZ . 10111 1 204 . 1 1 19 19 PHE N N 15 121.744 0.300 . 1 . . . . 19 PHE N . 10111 1 205 . 1 1 20 20 SER H H 1 8.435 0.030 . 1 . . . . 20 SER H . 10111 1 206 . 1 1 20 20 SER HA H 1 3.690 0.030 . 1 . . . . 20 SER HA . 10111 1 207 . 1 1 20 20 SER HB2 H 1 3.529 0.030 . 2 . . . . 20 SER HB2 . 10111 1 208 . 1 1 20 20 SER HB3 H 1 3.429 0.030 . 2 . . . . 20 SER HB3 . 10111 1 209 . 1 1 20 20 SER C C 13 175.417 0.300 . 1 . . . . 20 SER C . 10111 1 210 . 1 1 20 20 SER CA C 13 61.462 0.300 . 1 . . . . 20 SER CA . 10111 1 211 . 1 1 20 20 SER CB C 13 62.833 0.300 . 1 . . . . 20 SER CB . 10111 1 212 . 1 1 20 20 SER N N 15 113.205 0.300 . 1 . . . . 20 SER N . 10111 1 213 . 1 1 21 21 GLN H H 1 7.909 0.030 . 1 . . . . 21 GLN H . 10111 1 214 . 1 1 21 21 GLN HA H 1 3.852 0.030 . 1 . . . . 21 GLN HA . 10111 1 215 . 1 1 21 21 GLN HB2 H 1 2.170 0.030 . 1 . . . . 21 GLN HB2 . 10111 1 216 . 1 1 21 21 GLN HB3 H 1 2.170 0.030 . 1 . . . . 21 GLN HB3 . 10111 1 217 . 1 1 21 21 GLN HG2 H 1 2.564 0.030 . 2 . . . . 21 GLN HG2 . 10111 1 218 . 1 1 21 21 GLN HG3 H 1 2.316 0.030 . 2 . . . . 21 GLN HG3 . 10111 1 219 . 1 1 21 21 GLN HE21 H 1 7.396 0.030 . 2 . . . . 21 GLN HE21 . 10111 1 220 . 1 1 21 21 GLN HE22 H 1 6.724 0.030 . 2 . . . . 21 GLN HE22 . 10111 1 221 . 1 1 21 21 GLN C C 13 179.136 0.300 . 1 . . . . 21 GLN C . 10111 1 222 . 1 1 21 21 GLN CA C 13 59.075 0.300 . 1 . . . . 21 GLN CA . 10111 1 223 . 1 1 21 21 GLN CB C 13 28.190 0.300 . 1 . . . . 21 GLN CB . 10111 1 224 . 1 1 21 21 GLN CG C 13 34.129 0.300 . 1 . . . . 21 GLN CG . 10111 1 225 . 1 1 21 21 GLN N N 15 119.238 0.300 . 1 . . . . 21 GLN N . 10111 1 226 . 1 1 21 21 GLN NE2 N 15 110.902 0.300 . 1 . . . . 21 GLN NE2 . 10111 1 227 . 1 1 22 22 GLU H H 1 7.971 0.030 . 1 . . . . 22 GLU H . 10111 1 228 . 1 1 22 22 GLU HA H 1 3.963 0.030 . 1 . . . . 22 GLU HA . 10111 1 229 . 1 1 22 22 GLU HB2 H 1 2.193 0.030 . 2 . . . . 22 GLU HB2 . 10111 1 230 . 1 1 22 22 GLU HB3 H 1 2.148 0.030 . 2 . . . . 22 GLU HB3 . 10111 1 231 . 1 1 22 22 GLU HG2 H 1 2.461 0.030 . 2 . . . . 22 GLU HG2 . 10111 1 232 . 1 1 22 22 GLU HG3 H 1 2.214 0.030 . 2 . . . . 22 GLU HG3 . 10111 1 233 . 1 1 22 22 GLU C C 13 178.683 0.300 . 1 . . . . 22 GLU C . 10111 1 234 . 1 1 22 22 GLU CA C 13 59.629 0.300 . 1 . . . . 22 GLU CA . 10111 1 235 . 1 1 22 22 GLU CB C 13 29.801 0.300 . 1 . . . . 22 GLU CB . 10111 1 236 . 1 1 22 22 GLU CG C 13 36.499 0.300 . 1 . . . . 22 GLU CG . 10111 1 237 . 1 1 22 22 GLU N N 15 120.862 0.300 . 1 . . . . 22 GLU N . 10111 1 238 . 1 1 23 23 LEU H H 1 7.639 0.030 . 1 . . . . 23 LEU H . 10111 1 239 . 1 1 23 23 LEU HA H 1 4.022 0.030 . 1 . . . . 23 LEU HA . 10111 1 240 . 1 1 23 23 LEU HB2 H 1 1.394 0.030 . 2 . . . . 23 LEU HB2 . 10111 1 241 . 1 1 23 23 LEU HB3 H 1 1.192 0.030 . 2 . . . . 23 LEU HB3 . 10111 1 242 . 1 1 23 23 LEU HG H 1 1.356 0.030 . 1 . . . . 23 LEU HG . 10111 1 243 . 1 1 23 23 LEU HD11 H 1 0.666 0.030 . 1 . . . . 23 LEU HD1 . 10111 1 244 . 1 1 23 23 LEU HD12 H 1 0.666 0.030 . 1 . . . . 23 LEU HD1 . 10111 1 245 . 1 1 23 23 LEU HD13 H 1 0.666 0.030 . 1 . . . . 23 LEU HD1 . 10111 1 246 . 1 1 23 23 LEU HD21 H 1 0.449 0.030 . 1 . . . . 23 LEU HD2 . 10111 1 247 . 1 1 23 23 LEU HD22 H 1 0.449 0.030 . 1 . . . . 23 LEU HD2 . 10111 1 248 . 1 1 23 23 LEU HD23 H 1 0.449 0.030 . 1 . . . . 23 LEU HD2 . 10111 1 249 . 1 1 23 23 LEU C C 13 180.181 0.300 . 1 . . . . 23 LEU C . 10111 1 250 . 1 1 23 23 LEU CA C 13 57.883 0.300 . 1 . . . . 23 LEU CA . 10111 1 251 . 1 1 23 23 LEU CB C 13 41.882 0.300 . 1 . . . . 23 LEU CB . 10111 1 252 . 1 1 23 23 LEU CG C 13 28.702 0.300 . 1 . . . . 23 LEU CG . 10111 1 253 . 1 1 23 23 LEU CD1 C 13 24.540 0.300 . 2 . . . . 23 LEU CD1 . 10111 1 254 . 1 1 23 23 LEU CD2 C 13 25.666 0.300 . 2 . . . . 23 LEU CD2 . 10111 1 255 . 1 1 23 23 LEU N N 15 120.104 0.300 . 1 . . . . 23 LEU N . 10111 1 256 . 1 1 24 24 LEU H H 1 8.400 0.030 . 1 . . . . 24 LEU H . 10111 1 257 . 1 1 24 24 LEU HA H 1 4.014 0.030 . 1 . . . . 24 LEU HA . 10111 1 258 . 1 1 24 24 LEU HB2 H 1 1.762 0.030 . 2 . . . . 24 LEU HB2 . 10111 1 259 . 1 1 24 24 LEU HB3 H 1 1.395 0.030 . 2 . . . . 24 LEU HB3 . 10111 1 260 . 1 1 24 24 LEU HG H 1 1.684 0.030 . 1 . . . . 24 LEU HG . 10111 1 261 . 1 1 24 24 LEU HD11 H 1 0.691 0.030 . 1 . . . . 24 LEU HD1 . 10111 1 262 . 1 1 24 24 LEU HD12 H 1 0.691 0.030 . 1 . . . . 24 LEU HD1 . 10111 1 263 . 1 1 24 24 LEU HD13 H 1 0.691 0.030 . 1 . . . . 24 LEU HD1 . 10111 1 264 . 1 1 24 24 LEU HD21 H 1 0.748 0.030 . 1 . . . . 24 LEU HD2 . 10111 1 265 . 1 1 24 24 LEU HD22 H 1 0.748 0.030 . 1 . . . . 24 LEU HD2 . 10111 1 266 . 1 1 24 24 LEU HD23 H 1 0.748 0.030 . 1 . . . . 24 LEU HD2 . 10111 1 267 . 1 1 24 24 LEU C C 13 179.778 0.300 . 1 . . . . 24 LEU C . 10111 1 268 . 1 1 24 24 LEU CA C 13 57.314 0.300 . 1 . . . . 24 LEU CA . 10111 1 269 . 1 1 24 24 LEU CB C 13 41.835 0.300 . 1 . . . . 24 LEU CB . 10111 1 270 . 1 1 24 24 LEU CG C 13 26.730 0.300 . 1 . . . . 24 LEU CG . 10111 1 271 . 1 1 24 24 LEU CD1 C 13 25.140 0.300 . 2 . . . . 24 LEU CD1 . 10111 1 272 . 1 1 24 24 LEU CD2 C 13 22.992 0.300 . 2 . . . . 24 LEU CD2 . 10111 1 273 . 1 1 24 24 LEU N N 15 118.673 0.300 . 1 . . . . 24 LEU N . 10111 1 274 . 1 1 25 25 SER H H 1 7.984 0.030 . 1 . . . . 25 SER H . 10111 1 275 . 1 1 25 25 SER HA H 1 4.361 0.030 . 1 . . . . 25 SER HA . 10111 1 276 . 1 1 25 25 SER HB2 H 1 3.951 0.030 . 1 . . . . 25 SER HB2 . 10111 1 277 . 1 1 25 25 SER HB3 H 1 3.951 0.030 . 1 . . . . 25 SER HB3 . 10111 1 278 . 1 1 25 25 SER C C 13 175.551 0.300 . 1 . . . . 25 SER C . 10111 1 279 . 1 1 25 25 SER CA C 13 60.583 0.300 . 1 . . . . 25 SER CA . 10111 1 280 . 1 1 25 25 SER CB C 13 63.685 0.300 . 1 . . . . 25 SER CB . 10111 1 281 . 1 1 25 25 SER N N 15 113.504 0.300 . 1 . . . . 25 SER N . 10111 1 282 . 1 1 26 26 ASN H H 1 7.825 0.030 . 1 . . . . 26 ASN H . 10111 1 283 . 1 1 26 26 ASN HA H 1 4.672 0.030 . 1 . . . . 26 ASN HA . 10111 1 284 . 1 1 26 26 ASN HB2 H 1 3.139 0.030 . 2 . . . . 26 ASN HB2 . 10111 1 285 . 1 1 26 26 ASN HB3 H 1 2.950 0.030 . 2 . . . . 26 ASN HB3 . 10111 1 286 . 1 1 26 26 ASN HD21 H 1 7.573 0.030 . 2 . . . . 26 ASN HD21 . 10111 1 287 . 1 1 26 26 ASN HD22 H 1 6.843 0.030 . 2 . . . . 26 ASN HD22 . 10111 1 288 . 1 1 26 26 ASN C C 13 177.206 0.300 . 1 . . . . 26 ASN C . 10111 1 289 . 1 1 26 26 ASN CA C 13 54.237 0.300 . 1 . . . . 26 ASN CA . 10111 1 290 . 1 1 26 26 ASN CB C 13 38.635 0.300 . 1 . . . . 26 ASN CB . 10111 1 291 . 1 1 26 26 ASN N N 15 119.188 0.300 . 1 . . . . 26 ASN N . 10111 1 292 . 1 1 26 26 ASN ND2 N 15 110.386 0.300 . 1 . . . . 26 ASN ND2 . 10111 1 293 . 1 1 27 27 GLY H H 1 7.546 0.030 . 1 . . . . 27 GLY H . 10111 1 294 . 1 1 27 27 GLY HA2 H 1 4.213 0.030 . 2 . . . . 27 GLY HA2 . 10111 1 295 . 1 1 27 27 GLY HA3 H 1 3.824 0.030 . 2 . . . . 27 GLY HA3 . 10111 1 296 . 1 1 27 27 GLY C C 13 176.439 0.300 . 1 . . . . 27 GLY C . 10111 1 297 . 1 1 27 27 GLY CA C 13 46.239 0.300 . 1 . . . . 27 GLY CA . 10111 1 298 . 1 1 27 27 GLY N N 15 106.400 0.300 . 1 . . . . 27 GLY N . 10111 1 299 . 1 1 28 28 GLU H H 1 8.604 0.030 . 1 . . . . 28 GLU H . 10111 1 300 . 1 1 28 28 GLU HA H 1 4.167 0.030 . 1 . . . . 28 GLU HA . 10111 1 301 . 1 1 28 28 GLU HB2 H 1 2.167 0.030 . 2 . . . . 28 GLU HB2 . 10111 1 302 . 1 1 28 28 GLU HB3 H 1 2.053 0.030 . 2 . . . . 28 GLU HB3 . 10111 1 303 . 1 1 28 28 GLU HG2 H 1 2.295 0.030 . 1 . . . . 28 GLU HG2 . 10111 1 304 . 1 1 28 28 GLU HG3 H 1 2.295 0.030 . 1 . . . . 28 GLU HG3 . 10111 1 305 . 1 1 28 28 GLU C C 13 177.036 0.300 . 1 . . . . 28 GLU C . 10111 1 306 . 1 1 28 28 GLU CA C 13 59.141 0.300 . 1 . . . . 28 GLU CA . 10111 1 307 . 1 1 28 28 GLU CB C 13 30.157 0.300 . 1 . . . . 28 GLU CB . 10111 1 308 . 1 1 28 28 GLU CG C 13 36.674 0.300 . 1 . . . . 28 GLU CG . 10111 1 309 . 1 1 28 28 GLU N N 15 121.297 0.300 . 1 . . . . 28 GLU N . 10111 1 310 . 1 1 29 29 LEU H H 1 8.759 0.030 . 1 . . . . 29 LEU H . 10111 1 311 . 1 1 29 29 LEU HA H 1 4.689 0.030 . 1 . . . . 29 LEU HA . 10111 1 312 . 1 1 29 29 LEU HB2 H 1 1.669 0.030 . 1 . . . . 29 LEU HB2 . 10111 1 313 . 1 1 29 29 LEU HB3 H 1 1.669 0.030 . 1 . . . . 29 LEU HB3 . 10111 1 314 . 1 1 29 29 LEU HG H 1 1.533 0.030 . 1 . . . . 29 LEU HG . 10111 1 315 . 1 1 29 29 LEU HD11 H 1 0.873 0.030 . 1 . . . . 29 LEU HD1 . 10111 1 316 . 1 1 29 29 LEU HD12 H 1 0.873 0.030 . 1 . . . . 29 LEU HD1 . 10111 1 317 . 1 1 29 29 LEU HD13 H 1 0.873 0.030 . 1 . . . . 29 LEU HD1 . 10111 1 318 . 1 1 29 29 LEU HD21 H 1 0.812 0.030 . 1 . . . . 29 LEU HD2 . 10111 1 319 . 1 1 29 29 LEU HD22 H 1 0.812 0.030 . 1 . . . . 29 LEU HD2 . 10111 1 320 . 1 1 29 29 LEU HD23 H 1 0.812 0.030 . 1 . . . . 29 LEU HD2 . 10111 1 321 . 1 1 29 29 LEU C C 13 177.899 0.300 . 1 . . . . 29 LEU C . 10111 1 322 . 1 1 29 29 LEU CA C 13 53.463 0.300 . 1 . . . . 29 LEU CA . 10111 1 323 . 1 1 29 29 LEU CB C 13 41.714 0.300 . 1 . . . . 29 LEU CB . 10111 1 324 . 1 1 29 29 LEU CG C 13 26.917 0.300 . 1 . . . . 29 LEU CG . 10111 1 325 . 1 1 29 29 LEU CD1 C 13 23.130 0.300 . 2 . . . . 29 LEU CD1 . 10111 1 326 . 1 1 29 29 LEU CD2 C 13 27.084 0.300 . 2 . . . . 29 LEU CD2 . 10111 1 327 . 1 1 29 29 LEU N N 15 115.272 0.300 . 1 . . . . 29 LEU N . 10111 1 328 . 1 1 30 30 ASN H H 1 7.438 0.030 . 1 . . . . 30 ASN H . 10111 1 329 . 1 1 30 30 ASN HA H 1 4.279 0.030 . 1 . . . . 30 ASN HA . 10111 1 330 . 1 1 30 30 ASN HB2 H 1 2.923 0.030 . 1 . . . . 30 ASN HB2 . 10111 1 331 . 1 1 30 30 ASN HB3 H 1 2.923 0.030 . 1 . . . . 30 ASN HB3 . 10111 1 332 . 1 1 30 30 ASN HD21 H 1 7.729 0.030 . 2 . . . . 30 ASN HD21 . 10111 1 333 . 1 1 30 30 ASN HD22 H 1 7.190 0.030 . 2 . . . . 30 ASN HD22 . 10111 1 334 . 1 1 30 30 ASN C C 13 175.077 0.300 . 1 . . . . 30 ASN C . 10111 1 335 . 1 1 30 30 ASN CA C 13 55.373 0.300 . 1 . . . . 30 ASN CA . 10111 1 336 . 1 1 30 30 ASN CB C 13 37.654 0.300 . 1 . . . . 30 ASN CB . 10111 1 337 . 1 1 30 30 ASN N N 15 118.191 0.300 . 1 . . . . 30 ASN N . 10111 1 338 . 1 1 30 30 ASN ND2 N 15 111.458 0.300 . 1 . . . . 30 ASN ND2 . 10111 1 339 . 1 1 31 31 HIS HA H 1 4.535 0.030 . 1 . . . . 31 HIS HA . 10111 1 340 . 1 1 31 31 HIS HB2 H 1 3.251 0.030 . 2 . . . . 31 HIS HB2 . 10111 1 341 . 1 1 31 31 HIS HB3 H 1 3.013 0.030 . 2 . . . . 31 HIS HB3 . 10111 1 342 . 1 1 31 31 HIS HD2 H 1 7.076 0.030 . 1 . . . . 31 HIS HD2 . 10111 1 343 . 1 1 31 31 HIS HE1 H 1 8.124 0.030 . 1 . . . . 31 HIS HE1 . 10111 1 344 . 1 1 31 31 HIS CA C 13 56.813 0.300 . 1 . . . . 31 HIS CA . 10111 1 345 . 1 1 31 31 HIS CB C 13 29.356 0.300 . 1 . . . . 31 HIS CB . 10111 1 346 . 1 1 31 31 HIS CD2 C 13 118.710 0.300 . 1 . . . . 31 HIS CD2 . 10111 1 347 . 1 1 31 31 HIS CE1 C 13 138.984 0.300 . 1 . . . . 31 HIS CE1 . 10111 1 348 . 1 1 32 32 LEU H H 1 7.349 0.030 . 1 . . . . 32 LEU H . 10111 1 349 . 1 1 32 32 LEU HA H 1 4.655 0.030 . 1 . . . . 32 LEU HA . 10111 1 350 . 1 1 32 32 LEU HB2 H 1 1.597 0.030 . 2 . . . . 32 LEU HB2 . 10111 1 351 . 1 1 32 32 LEU HB3 H 1 1.196 0.030 . 2 . . . . 32 LEU HB3 . 10111 1 352 . 1 1 32 32 LEU HG H 1 0.713 0.030 . 1 . . . . 32 LEU HG . 10111 1 353 . 1 1 32 32 LEU HD11 H 1 0.783 0.030 . 1 . . . . 32 LEU HD1 . 10111 1 354 . 1 1 32 32 LEU HD12 H 1 0.783 0.030 . 1 . . . . 32 LEU HD1 . 10111 1 355 . 1 1 32 32 LEU HD13 H 1 0.783 0.030 . 1 . . . . 32 LEU HD1 . 10111 1 356 . 1 1 32 32 LEU HD21 H 1 0.799 0.030 . 1 . . . . 32 LEU HD2 . 10111 1 357 . 1 1 32 32 LEU HD22 H 1 0.799 0.030 . 1 . . . . 32 LEU HD2 . 10111 1 358 . 1 1 32 32 LEU HD23 H 1 0.799 0.030 . 1 . . . . 32 LEU HD2 . 10111 1 359 . 1 1 32 32 LEU CA C 13 51.777 0.300 . 1 . . . . 32 LEU CA . 10111 1 360 . 1 1 32 32 LEU CB C 13 42.280 0.300 . 1 . . . . 32 LEU CB . 10111 1 361 . 1 1 32 32 LEU CG C 13 26.144 0.300 . 1 . . . . 32 LEU CG . 10111 1 362 . 1 1 32 32 LEU CD1 C 13 26.043 0.300 . 2 . . . . 32 LEU CD1 . 10111 1 363 . 1 1 32 32 LEU CD2 C 13 22.678 0.300 . 2 . . . . 32 LEU CD2 . 10111 1 364 . 1 1 32 32 LEU N N 15 122.970 0.300 . 1 . . . . 32 LEU N . 10111 1 365 . 1 1 33 33 PRO HA H 1 4.497 0.030 . 1 . . . . 33 PRO HA . 10111 1 366 . 1 1 33 33 PRO HB2 H 1 2.460 0.030 . 2 . . . . 33 PRO HB2 . 10111 1 367 . 1 1 33 33 PRO HB3 H 1 2.078 0.030 . 2 . . . . 33 PRO HB3 . 10111 1 368 . 1 1 33 33 PRO HG2 H 1 2.092 0.030 . 1 . . . . 33 PRO HG2 . 10111 1 369 . 1 1 33 33 PRO HG3 H 1 2.092 0.030 . 1 . . . . 33 PRO HG3 . 10111 1 370 . 1 1 33 33 PRO HD2 H 1 3.954 0.030 . 2 . . . . 33 PRO HD2 . 10111 1 371 . 1 1 33 33 PRO HD3 H 1 3.539 0.030 . 2 . . . . 33 PRO HD3 . 10111 1 372 . 1 1 33 33 PRO C C 13 177.098 0.300 . 1 . . . . 33 PRO C . 10111 1 373 . 1 1 33 33 PRO CA C 13 62.398 0.300 . 1 . . . . 33 PRO CA . 10111 1 374 . 1 1 33 33 PRO CB C 13 32.074 0.300 . 1 . . . . 33 PRO CB . 10111 1 375 . 1 1 33 33 PRO CG C 13 28.033 0.300 . 1 . . . . 33 PRO CG . 10111 1 376 . 1 1 33 33 PRO CD C 13 50.599 0.300 . 1 . . . . 33 PRO CD . 10111 1 377 . 1 1 34 34 LEU H H 1 8.605 0.030 . 1 . . . . 34 LEU H . 10111 1 378 . 1 1 34 34 LEU HA H 1 3.730 0.030 . 1 . . . . 34 LEU HA . 10111 1 379 . 1 1 34 34 LEU HB2 H 1 1.745 0.030 . 2 . . . . 34 LEU HB2 . 10111 1 380 . 1 1 34 34 LEU HB3 H 1 1.621 0.030 . 2 . . . . 34 LEU HB3 . 10111 1 381 . 1 1 34 34 LEU HG H 1 1.619 0.030 . 1 . . . . 34 LEU HG . 10111 1 382 . 1 1 34 34 LEU HD11 H 1 0.929 0.030 . 1 . . . . 34 LEU HD1 . 10111 1 383 . 1 1 34 34 LEU HD12 H 1 0.929 0.030 . 1 . . . . 34 LEU HD1 . 10111 1 384 . 1 1 34 34 LEU HD13 H 1 0.929 0.030 . 1 . . . . 34 LEU HD1 . 10111 1 385 . 1 1 34 34 LEU HD21 H 1 0.944 0.030 . 1 . . . . 34 LEU HD2 . 10111 1 386 . 1 1 34 34 LEU HD22 H 1 0.944 0.030 . 1 . . . . 34 LEU HD2 . 10111 1 387 . 1 1 34 34 LEU HD23 H 1 0.944 0.030 . 1 . . . . 34 LEU HD2 . 10111 1 388 . 1 1 34 34 LEU C C 13 178.033 0.300 . 1 . . . . 34 LEU C . 10111 1 389 . 1 1 34 34 LEU CA C 13 59.596 0.300 . 1 . . . . 34 LEU CA . 10111 1 390 . 1 1 34 34 LEU CB C 13 42.015 0.300 . 1 . . . . 34 LEU CB . 10111 1 391 . 1 1 34 34 LEU CG C 13 27.082 0.300 . 1 . . . . 34 LEU CG . 10111 1 392 . 1 1 34 34 LEU CD1 C 13 25.070 0.300 . 2 . . . . 34 LEU CD1 . 10111 1 393 . 1 1 34 34 LEU CD2 C 13 23.786 0.300 . 2 . . . . 34 LEU CD2 . 10111 1 394 . 1 1 34 34 LEU N N 15 123.426 0.300 . 1 . . . . 34 LEU N . 10111 1 395 . 1 1 35 35 LYS H H 1 8.846 0.030 . 1 . . . . 35 LYS H . 10111 1 396 . 1 1 35 35 LYS HA H 1 3.992 0.030 . 1 . . . . 35 LYS HA . 10111 1 397 . 1 1 35 35 LYS HB2 H 1 1.899 0.030 . 2 . . . . 35 LYS HB2 . 10111 1 398 . 1 1 35 35 LYS HB3 H 1 1.794 0.030 . 2 . . . . 35 LYS HB3 . 10111 1 399 . 1 1 35 35 LYS HG2 H 1 1.525 0.030 . 2 . . . . 35 LYS HG2 . 10111 1 400 . 1 1 35 35 LYS HG3 H 1 1.369 0.030 . 2 . . . . 35 LYS HG3 . 10111 1 401 . 1 1 35 35 LYS HD2 H 1 1.721 0.030 . 1 . . . . 35 LYS HD2 . 10111 1 402 . 1 1 35 35 LYS HD3 H 1 1.721 0.030 . 1 . . . . 35 LYS HD3 . 10111 1 403 . 1 1 35 35 LYS HE2 H 1 3.002 0.030 . 1 . . . . 35 LYS HE2 . 10111 1 404 . 1 1 35 35 LYS HE3 H 1 3.002 0.030 . 1 . . . . 35 LYS HE3 . 10111 1 405 . 1 1 35 35 LYS C C 13 179.104 0.300 . 1 . . . . 35 LYS C . 10111 1 406 . 1 1 35 35 LYS CA C 13 60.232 0.300 . 1 . . . . 35 LYS CA . 10111 1 407 . 1 1 35 35 LYS CB C 13 32.021 0.300 . 1 . . . . 35 LYS CB . 10111 1 408 . 1 1 35 35 LYS CG C 13 24.989 0.300 . 1 . . . . 35 LYS CG . 10111 1 409 . 1 1 35 35 LYS CD C 13 29.471 0.300 . 1 . . . . 35 LYS CD . 10111 1 410 . 1 1 35 35 LYS CE C 13 42.161 0.300 . 1 . . . . 35 LYS CE . 10111 1 411 . 1 1 35 35 LYS N N 15 116.803 0.300 . 1 . . . . 35 LYS N . 10111 1 412 . 1 1 36 36 GLU H H 1 7.751 0.030 . 1 . . . . 36 GLU H . 10111 1 413 . 1 1 36 36 GLU HA H 1 4.118 0.030 . 1 . . . . 36 GLU HA . 10111 1 414 . 1 1 36 36 GLU HB2 H 1 2.128 0.030 . 2 . . . . 36 GLU HB2 . 10111 1 415 . 1 1 36 36 GLU HB3 H 1 2.052 0.030 . 2 . . . . 36 GLU HB3 . 10111 1 416 . 1 1 36 36 GLU HG2 H 1 2.440 0.030 . 2 . . . . 36 GLU HG2 . 10111 1 417 . 1 1 36 36 GLU HG3 H 1 2.345 0.030 . 2 . . . . 36 GLU HG3 . 10111 1 418 . 1 1 36 36 GLU C C 13 179.408 0.300 . 1 . . . . 36 GLU C . 10111 1 419 . 1 1 36 36 GLU CA C 13 59.212 0.300 . 1 . . . . 36 GLU CA . 10111 1 420 . 1 1 36 36 GLU CB C 13 29.943 0.300 . 1 . . . . 36 GLU CB . 10111 1 421 . 1 1 36 36 GLU CG C 13 37.299 0.300 . 1 . . . . 36 GLU CG . 10111 1 422 . 1 1 36 36 GLU N N 15 118.438 0.300 . 1 . . . . 36 GLU N . 10111 1 423 . 1 1 37 37 ARG H H 1 8.735 0.030 . 1 . . . . 37 ARG H . 10111 1 424 . 1 1 37 37 ARG HA H 1 3.796 0.030 . 1 . . . . 37 ARG HA . 10111 1 425 . 1 1 37 37 ARG HB2 H 1 2.042 0.030 . 2 . . . . 37 ARG HB2 . 10111 1 426 . 1 1 37 37 ARG HB3 H 1 1.777 0.030 . 2 . . . . 37 ARG HB3 . 10111 1 427 . 1 1 37 37 ARG HG2 H 1 1.870 0.030 . 2 . . . . 37 ARG HG2 . 10111 1 428 . 1 1 37 37 ARG HG3 H 1 1.660 0.030 . 2 . . . . 37 ARG HG3 . 10111 1 429 . 1 1 37 37 ARG HD2 H 1 3.140 0.030 . 2 . . . . 37 ARG HD2 . 10111 1 430 . 1 1 37 37 ARG HD3 H 1 2.872 0.030 . 2 . . . . 37 ARG HD3 . 10111 1 431 . 1 1 37 37 ARG HE H 1 6.613 0.030 . 1 . . . . 37 ARG HE . 10111 1 432 . 1 1 37 37 ARG C C 13 177.948 0.300 . 1 . . . . 37 ARG C . 10111 1 433 . 1 1 37 37 ARG CA C 13 60.131 0.300 . 1 . . . . 37 ARG CA . 10111 1 434 . 1 1 37 37 ARG CB C 13 30.891 0.300 . 1 . . . . 37 ARG CB . 10111 1 435 . 1 1 37 37 ARG CG C 13 27.434 0.300 . 1 . . . . 37 ARG CG . 10111 1 436 . 1 1 37 37 ARG CD C 13 44.265 0.300 . 1 . . . . 37 ARG CD . 10111 1 437 . 1 1 37 37 ARG N N 15 122.261 0.300 . 1 . . . . 37 ARG N . 10111 1 438 . 1 1 37 37 ARG NE N 15 120.516 0.300 . 1 . . . . 37 ARG NE . 10111 1 439 . 1 1 38 38 MET H H 1 8.049 0.030 . 1 . . . . 38 MET H . 10111 1 440 . 1 1 38 38 MET HA H 1 4.353 0.030 . 1 . . . . 38 MET HA . 10111 1 441 . 1 1 38 38 MET HB2 H 1 2.232 0.030 . 2 . . . . 38 MET HB2 . 10111 1 442 . 1 1 38 38 MET HB3 H 1 2.133 0.030 . 2 . . . . 38 MET HB3 . 10111 1 443 . 1 1 38 38 MET HG2 H 1 2.762 0.030 . 1 . . . . 38 MET HG2 . 10111 1 444 . 1 1 38 38 MET HG3 H 1 2.762 0.030 . 1 . . . . 38 MET HG3 . 10111 1 445 . 1 1 38 38 MET HE1 H 1 2.051 0.030 . 1 . . . . 38 MET HE . 10111 1 446 . 1 1 38 38 MET HE2 H 1 2.051 0.030 . 1 . . . . 38 MET HE . 10111 1 447 . 1 1 38 38 MET HE3 H 1 2.051 0.030 . 1 . . . . 38 MET HE . 10111 1 448 . 1 1 38 38 MET C C 13 180.309 0.300 . 1 . . . . 38 MET C . 10111 1 449 . 1 1 38 38 MET CA C 13 57.172 0.300 . 1 . . . . 38 MET CA . 10111 1 450 . 1 1 38 38 MET CB C 13 29.737 0.300 . 1 . . . . 38 MET CB . 10111 1 451 . 1 1 38 38 MET CG C 13 31.432 0.300 . 1 . . . . 38 MET CG . 10111 1 452 . 1 1 38 38 MET CE C 13 15.901 0.300 . 1 . . . . 38 MET CE . 10111 1 453 . 1 1 38 38 MET N N 15 114.150 0.300 . 1 . . . . 38 MET N . 10111 1 454 . 1 1 39 39 VAL H H 1 7.559 0.030 . 1 . . . . 39 VAL H . 10111 1 455 . 1 1 39 39 VAL HA H 1 3.805 0.030 . 1 . . . . 39 VAL HA . 10111 1 456 . 1 1 39 39 VAL HB H 1 2.212 0.030 . 1 . . . . 39 VAL HB . 10111 1 457 . 1 1 39 39 VAL HG11 H 1 1.149 0.030 . 1 . . . . 39 VAL HG1 . 10111 1 458 . 1 1 39 39 VAL HG12 H 1 1.149 0.030 . 1 . . . . 39 VAL HG1 . 10111 1 459 . 1 1 39 39 VAL HG13 H 1 1.149 0.030 . 1 . . . . 39 VAL HG1 . 10111 1 460 . 1 1 39 39 VAL HG21 H 1 1.039 0.030 . 1 . . . . 39 VAL HG2 . 10111 1 461 . 1 1 39 39 VAL HG22 H 1 1.039 0.030 . 1 . . . . 39 VAL HG2 . 10111 1 462 . 1 1 39 39 VAL HG23 H 1 1.039 0.030 . 1 . . . . 39 VAL HG2 . 10111 1 463 . 1 1 39 39 VAL C C 13 178.703 0.300 . 1 . . . . 39 VAL C . 10111 1 464 . 1 1 39 39 VAL CA C 13 66.297 0.300 . 1 . . . . 39 VAL CA . 10111 1 465 . 1 1 39 39 VAL CB C 13 32.069 0.300 . 1 . . . . 39 VAL CB . 10111 1 466 . 1 1 39 39 VAL CG1 C 13 22.528 0.300 . 2 . . . . 39 VAL CG1 . 10111 1 467 . 1 1 39 39 VAL CG2 C 13 21.067 0.300 . 2 . . . . 39 VAL CG2 . 10111 1 468 . 1 1 39 39 VAL N N 15 122.150 0.300 . 1 . . . . 39 VAL N . 10111 1 469 . 1 1 40 40 GLU H H 1 7.918 0.030 . 1 . . . . 40 GLU H . 10111 1 470 . 1 1 40 40 GLU HA H 1 4.343 0.030 . 1 . . . . 40 GLU HA . 10111 1 471 . 1 1 40 40 GLU HB2 H 1 2.176 0.030 . 2 . . . . 40 GLU HB2 . 10111 1 472 . 1 1 40 40 GLU HB3 H 1 2.020 0.030 . 2 . . . . 40 GLU HB3 . 10111 1 473 . 1 1 40 40 GLU HG2 H 1 2.415 0.030 . 2 . . . . 40 GLU HG2 . 10111 1 474 . 1 1 40 40 GLU HG3 H 1 2.075 0.030 . 2 . . . . 40 GLU HG3 . 10111 1 475 . 1 1 40 40 GLU C C 13 178.751 0.300 . 1 . . . . 40 GLU C . 10111 1 476 . 1 1 40 40 GLU CA C 13 58.738 0.300 . 1 . . . . 40 GLU CA . 10111 1 477 . 1 1 40 40 GLU CB C 13 28.482 0.300 . 1 . . . . 40 GLU CB . 10111 1 478 . 1 1 40 40 GLU CG C 13 35.096 0.300 . 1 . . . . 40 GLU CG . 10111 1 479 . 1 1 40 40 GLU N N 15 122.012 0.300 . 1 . . . . 40 GLU N . 10111 1 480 . 1 1 41 41 ILE H H 1 8.488 0.030 . 1 . . . . 41 ILE H . 10111 1 481 . 1 1 41 41 ILE HA H 1 3.556 0.030 . 1 . . . . 41 ILE HA . 10111 1 482 . 1 1 41 41 ILE HB H 1 1.937 0.030 . 1 . . . . 41 ILE HB . 10111 1 483 . 1 1 41 41 ILE HG12 H 1 1.923 0.030 . 2 . . . . 41 ILE HG12 . 10111 1 484 . 1 1 41 41 ILE HG13 H 1 0.791 0.030 . 2 . . . . 41 ILE HG13 . 10111 1 485 . 1 1 41 41 ILE HG21 H 1 0.976 0.030 . 1 . . . . 41 ILE HG2 . 10111 1 486 . 1 1 41 41 ILE HG22 H 1 0.976 0.030 . 1 . . . . 41 ILE HG2 . 10111 1 487 . 1 1 41 41 ILE HG23 H 1 0.976 0.030 . 1 . . . . 41 ILE HG2 . 10111 1 488 . 1 1 41 41 ILE HD11 H 1 0.769 0.030 . 1 . . . . 41 ILE HD1 . 10111 1 489 . 1 1 41 41 ILE HD12 H 1 0.769 0.030 . 1 . . . . 41 ILE HD1 . 10111 1 490 . 1 1 41 41 ILE HD13 H 1 0.769 0.030 . 1 . . . . 41 ILE HD1 . 10111 1 491 . 1 1 41 41 ILE C C 13 178.179 0.300 . 1 . . . . 41 ILE C . 10111 1 492 . 1 1 41 41 ILE CA C 13 67.011 0.300 . 1 . . . . 41 ILE CA . 10111 1 493 . 1 1 41 41 ILE CB C 13 38.270 0.300 . 1 . . . . 41 ILE CB . 10111 1 494 . 1 1 41 41 ILE CG1 C 13 30.648 0.300 . 1 . . . . 41 ILE CG1 . 10111 1 495 . 1 1 41 41 ILE CG2 C 13 17.486 0.300 . 1 . . . . 41 ILE CG2 . 10111 1 496 . 1 1 41 41 ILE CD1 C 13 13.798 0.300 . 1 . . . . 41 ILE CD1 . 10111 1 497 . 1 1 41 41 ILE N N 15 120.871 0.300 . 1 . . . . 41 ILE N . 10111 1 498 . 1 1 42 42 GLY H H 1 8.107 0.030 . 1 . . . . 42 GLY H . 10111 1 499 . 1 1 42 42 GLY HA2 H 1 4.125 0.030 . 2 . . . . 42 GLY HA2 . 10111 1 500 . 1 1 42 42 GLY HA3 H 1 4.116 0.030 . 2 . . . . 42 GLY HA3 . 10111 1 501 . 1 1 42 42 GLY C C 13 176.987 0.300 . 1 . . . . 42 GLY C . 10111 1 502 . 1 1 42 42 GLY CA C 13 48.165 0.300 . 1 . . . . 42 GLY CA . 10111 1 503 . 1 1 42 42 GLY N N 15 106.924 0.300 . 1 . . . . 42 GLY N . 10111 1 504 . 1 1 43 43 SER H H 1 8.309 0.030 . 1 . . . . 43 SER H . 10111 1 505 . 1 1 43 43 SER HA H 1 4.363 0.030 . 1 . . . . 43 SER HA . 10111 1 506 . 1 1 43 43 SER HB2 H 1 4.087 0.030 . 1 . . . . 43 SER HB2 . 10111 1 507 . 1 1 43 43 SER HB3 H 1 4.087 0.030 . 1 . . . . 43 SER HB3 . 10111 1 508 . 1 1 43 43 SER C C 13 177.412 0.300 . 1 . . . . 43 SER C . 10111 1 509 . 1 1 43 43 SER CA C 13 61.357 0.300 . 1 . . . . 43 SER CA . 10111 1 510 . 1 1 43 43 SER CB C 13 62.963 0.300 . 1 . . . . 43 SER CB . 10111 1 511 . 1 1 43 43 SER N N 15 118.646 0.300 . 1 . . . . 43 SER N . 10111 1 512 . 1 1 44 44 ARG H H 1 8.701 0.030 . 1 . . . . 44 ARG H . 10111 1 513 . 1 1 44 44 ARG HA H 1 4.093 0.030 . 1 . . . . 44 ARG HA . 10111 1 514 . 1 1 44 44 ARG HB2 H 1 2.295 0.030 . 2 . . . . 44 ARG HB2 . 10111 1 515 . 1 1 44 44 ARG HB3 H 1 2.209 0.030 . 2 . . . . 44 ARG HB3 . 10111 1 516 . 1 1 44 44 ARG HG2 H 1 2.161 0.030 . 2 . . . . 44 ARG HG2 . 10111 1 517 . 1 1 44 44 ARG HG3 H 1 1.788 0.030 . 2 . . . . 44 ARG HG3 . 10111 1 518 . 1 1 44 44 ARG HD2 H 1 3.410 0.030 . 2 . . . . 44 ARG HD2 . 10111 1 519 . 1 1 44 44 ARG HD3 H 1 2.968 0.030 . 2 . . . . 44 ARG HD3 . 10111 1 520 . 1 1 44 44 ARG C C 13 179.518 0.300 . 1 . . . . 44 ARG C . 10111 1 521 . 1 1 44 44 ARG CA C 13 59.804 0.300 . 1 . . . . 44 ARG CA . 10111 1 522 . 1 1 44 44 ARG CB C 13 29.962 0.300 . 1 . . . . 44 ARG CB . 10111 1 523 . 1 1 44 44 ARG CG C 13 28.483 0.300 . 1 . . . . 44 ARG CG . 10111 1 524 . 1 1 44 44 ARG CD C 13 43.746 0.300 . 1 . . . . 44 ARG CD . 10111 1 525 . 1 1 44 44 ARG N N 15 121.145 0.300 . 1 . . . . 44 ARG N . 10111 1 526 . 1 1 45 45 TRP H H 1 8.738 0.030 . 1 . . . . 45 TRP H . 10111 1 527 . 1 1 45 45 TRP HA H 1 3.834 0.030 . 1 . . . . 45 TRP HA . 10111 1 528 . 1 1 45 45 TRP HB2 H 1 3.439 0.030 . 2 . . . . 45 TRP HB2 . 10111 1 529 . 1 1 45 45 TRP HB3 H 1 3.350 0.030 . 2 . . . . 45 TRP HB3 . 10111 1 530 . 1 1 45 45 TRP HD1 H 1 7.058 0.030 . 1 . . . . 45 TRP HD1 . 10111 1 531 . 1 1 45 45 TRP HE1 H 1 10.086 0.030 . 1 . . . . 45 TRP HE1 . 10111 1 532 . 1 1 45 45 TRP HE3 H 1 5.914 0.030 . 1 . . . . 45 TRP HE3 . 10111 1 533 . 1 1 45 45 TRP HZ2 H 1 7.518 0.030 . 1 . . . . 45 TRP HZ2 . 10111 1 534 . 1 1 45 45 TRP HH2 H 1 7.111 0.030 . 1 . . . . 45 TRP HH2 . 10111 1 535 . 1 1 45 45 TRP C C 13 177.254 0.300 . 1 . . . . 45 TRP C . 10111 1 536 . 1 1 45 45 TRP CA C 13 59.352 0.300 . 1 . . . . 45 TRP CA . 10111 1 537 . 1 1 45 45 TRP CB C 13 30.125 0.300 . 1 . . . . 45 TRP CB . 10111 1 538 . 1 1 45 45 TRP CD1 C 13 127.525 0.300 . 1 . . . . 45 TRP CD1 . 10111 1 539 . 1 1 45 45 TRP CE3 C 13 121.474 0.300 . 1 . . . . 45 TRP CE3 . 10111 1 540 . 1 1 45 45 TRP CZ2 C 13 113.947 0.300 . 1 . . . . 45 TRP CZ2 . 10111 1 541 . 1 1 45 45 TRP CZ3 C 13 121.687 0.300 . 1 . . . . 45 TRP CZ3 . 10111 1 542 . 1 1 45 45 TRP CH2 C 13 123.737 0.300 . 1 . . . . 45 TRP CH2 . 10111 1 543 . 1 1 45 45 TRP N N 15 120.729 0.300 . 1 . . . . 45 TRP N . 10111 1 544 . 1 1 45 45 TRP NE1 N 15 128.348 0.300 . 1 . . . . 45 TRP NE1 . 10111 1 545 . 1 1 46 46 GLN H H 1 7.736 0.030 . 1 . . . . 46 GLN H . 10111 1 546 . 1 1 46 46 GLN HA H 1 3.795 0.030 . 1 . . . . 46 GLN HA . 10111 1 547 . 1 1 46 46 GLN HB2 H 1 2.274 0.030 . 1 . . . . 46 GLN HB2 . 10111 1 548 . 1 1 46 46 GLN HB3 H 1 2.274 0.030 . 1 . . . . 46 GLN HB3 . 10111 1 549 . 1 1 46 46 GLN HG2 H 1 2.625 0.030 . 2 . . . . 46 GLN HG2 . 10111 1 550 . 1 1 46 46 GLN HG3 H 1 2.586 0.030 . 2 . . . . 46 GLN HG3 . 10111 1 551 . 1 1 46 46 GLN HE21 H 1 7.617 0.030 . 2 . . . . 46 GLN HE21 . 10111 1 552 . 1 1 46 46 GLN HE22 H 1 6.914 0.030 . 2 . . . . 46 GLN HE22 . 10111 1 553 . 1 1 46 46 GLN C C 13 177.887 0.300 . 1 . . . . 46 GLN C . 10111 1 554 . 1 1 46 46 GLN CA C 13 58.473 0.300 . 1 . . . . 46 GLN CA . 10111 1 555 . 1 1 46 46 GLN CB C 13 28.532 0.300 . 1 . . . . 46 GLN CB . 10111 1 556 . 1 1 46 46 GLN CG C 13 33.814 0.300 . 1 . . . . 46 GLN CG . 10111 1 557 . 1 1 46 46 GLN N N 15 114.342 0.300 . 1 . . . . 46 GLN N . 10111 1 558 . 1 1 46 46 GLN NE2 N 15 112.174 0.300 . 1 . . . . 46 GLN NE2 . 10111 1 559 . 1 1 47 47 ARG H H 1 7.247 0.030 . 1 . . . . 47 ARG H . 10111 1 560 . 1 1 47 47 ARG HA H 1 4.244 0.030 . 1 . . . . 47 ARG HA . 10111 1 561 . 1 1 47 47 ARG HB2 H 1 2.015 0.030 . 2 . . . . 47 ARG HB2 . 10111 1 562 . 1 1 47 47 ARG HB3 H 1 1.852 0.030 . 2 . . . . 47 ARG HB3 . 10111 1 563 . 1 1 47 47 ARG HG2 H 1 1.828 0.030 . 2 . . . . 47 ARG HG2 . 10111 1 564 . 1 1 47 47 ARG HG3 H 1 1.732 0.030 . 2 . . . . 47 ARG HG3 . 10111 1 565 . 1 1 47 47 ARG HD2 H 1 3.257 0.030 . 2 . . . . 47 ARG HD2 . 10111 1 566 . 1 1 47 47 ARG HD3 H 1 3.201 0.030 . 2 . . . . 47 ARG HD3 . 10111 1 567 . 1 1 47 47 ARG C C 13 177.194 0.300 . 1 . . . . 47 ARG C . 10111 1 568 . 1 1 47 47 ARG CA C 13 56.786 0.300 . 1 . . . . 47 ARG CA . 10111 1 569 . 1 1 47 47 ARG CB C 13 31.714 0.300 . 1 . . . . 47 ARG CB . 10111 1 570 . 1 1 47 47 ARG CG C 13 27.823 0.300 . 1 . . . . 47 ARG CG . 10111 1 571 . 1 1 47 47 ARG CD C 13 43.726 0.300 . 1 . . . . 47 ARG CD . 10111 1 572 . 1 1 47 47 ARG N N 15 114.468 0.300 . 1 . . . . 47 ARG N . 10111 1 573 . 1 1 48 48 ILE H H 1 7.085 0.030 . 1 . . . . 48 ILE H . 10111 1 574 . 1 1 48 48 ILE HA H 1 4.353 0.030 . 1 . . . . 48 ILE HA . 10111 1 575 . 1 1 48 48 ILE HB H 1 1.936 0.030 . 1 . . . . 48 ILE HB . 10111 1 576 . 1 1 48 48 ILE HG12 H 1 1.273 0.030 . 2 . . . . 48 ILE HG12 . 10111 1 577 . 1 1 48 48 ILE HG13 H 1 1.010 0.030 . 2 . . . . 48 ILE HG13 . 10111 1 578 . 1 1 48 48 ILE HG21 H 1 0.954 0.030 . 1 . . . . 48 ILE HG2 . 10111 1 579 . 1 1 48 48 ILE HG22 H 1 0.954 0.030 . 1 . . . . 48 ILE HG2 . 10111 1 580 . 1 1 48 48 ILE HG23 H 1 0.954 0.030 . 1 . . . . 48 ILE HG2 . 10111 1 581 . 1 1 48 48 ILE HD11 H 1 0.495 0.030 . 1 . . . . 48 ILE HD1 . 10111 1 582 . 1 1 48 48 ILE HD12 H 1 0.495 0.030 . 1 . . . . 48 ILE HD1 . 10111 1 583 . 1 1 48 48 ILE HD13 H 1 0.495 0.030 . 1 . . . . 48 ILE HD1 . 10111 1 584 . 1 1 48 48 ILE C C 13 176.159 0.300 . 1 . . . . 48 ILE C . 10111 1 585 . 1 1 48 48 ILE CA C 13 61.971 0.300 . 1 . . . . 48 ILE CA . 10111 1 586 . 1 1 48 48 ILE CB C 13 38.189 0.300 . 1 . . . . 48 ILE CB . 10111 1 587 . 1 1 48 48 ILE CG1 C 13 25.457 0.300 . 1 . . . . 48 ILE CG1 . 10111 1 588 . 1 1 48 48 ILE CG2 C 13 17.524 0.300 . 1 . . . . 48 ILE CG2 . 10111 1 589 . 1 1 48 48 ILE CD1 C 13 13.918 0.300 . 1 . . . . 48 ILE CD1 . 10111 1 590 . 1 1 48 48 ILE N N 15 117.640 0.300 . 1 . . . . 48 ILE N . 10111 1 591 . 1 1 49 49 SER H H 1 8.537 0.030 . 1 . . . . 49 SER H . 10111 1 592 . 1 1 49 49 SER HA H 1 4.278 0.030 . 1 . . . . 49 SER HA . 10111 1 593 . 1 1 49 49 SER HB2 H 1 4.360 0.030 . 2 . . . . 49 SER HB2 . 10111 1 594 . 1 1 49 49 SER HB3 H 1 4.070 0.030 . 2 . . . . 49 SER HB3 . 10111 1 595 . 1 1 49 49 SER C C 13 174.748 0.300 . 1 . . . . 49 SER C . 10111 1 596 . 1 1 49 49 SER CA C 13 57.946 0.300 . 1 . . . . 49 SER CA . 10111 1 597 . 1 1 49 49 SER CB C 13 65.102 0.300 . 1 . . . . 49 SER CB . 10111 1 598 . 1 1 49 49 SER N N 15 119.404 0.300 . 1 . . . . 49 SER N . 10111 1 599 . 1 1 50 50 GLN H H 1 8.990 0.030 . 1 . . . . 50 GLN H . 10111 1 600 . 1 1 50 50 GLN HA H 1 3.866 0.030 . 1 . . . . 50 GLN HA . 10111 1 601 . 1 1 50 50 GLN HB2 H 1 2.217 0.030 . 2 . . . . 50 GLN HB2 . 10111 1 602 . 1 1 50 50 GLN HB3 H 1 2.065 0.030 . 2 . . . . 50 GLN HB3 . 10111 1 603 . 1 1 50 50 GLN HG2 H 1 2.478 0.030 . 1 . . . . 50 GLN HG2 . 10111 1 604 . 1 1 50 50 GLN HG3 H 1 2.478 0.030 . 1 . . . . 50 GLN HG3 . 10111 1 605 . 1 1 50 50 GLN HE21 H 1 7.768 0.030 . 2 . . . . 50 GLN HE21 . 10111 1 606 . 1 1 50 50 GLN HE22 H 1 6.890 0.030 . 2 . . . . 50 GLN HE22 . 10111 1 607 . 1 1 50 50 GLN C C 13 178.641 0.300 . 1 . . . . 50 GLN C . 10111 1 608 . 1 1 50 50 GLN CA C 13 59.265 0.300 . 1 . . . . 50 GLN CA . 10111 1 609 . 1 1 50 50 GLN CB C 13 27.760 0.300 . 1 . . . . 50 GLN CB . 10111 1 610 . 1 1 50 50 GLN CG C 13 33.175 0.300 . 1 . . . . 50 GLN CG . 10111 1 611 . 1 1 50 50 GLN N N 15 121.584 0.300 . 1 . . . . 50 GLN N . 10111 1 612 . 1 1 50 50 GLN NE2 N 15 112.885 0.300 . 1 . . . . 50 GLN NE2 . 10111 1 613 . 1 1 51 51 SER H H 1 8.520 0.030 . 1 . . . . 51 SER H . 10111 1 614 . 1 1 51 51 SER HA H 1 4.250 0.030 . 1 . . . . 51 SER HA . 10111 1 615 . 1 1 51 51 SER HB2 H 1 3.913 0.030 . 1 . . . . 51 SER HB2 . 10111 1 616 . 1 1 51 51 SER HB3 H 1 3.913 0.030 . 1 . . . . 51 SER HB3 . 10111 1 617 . 1 1 51 51 SER C C 13 177.978 0.300 . 1 . . . . 51 SER C . 10111 1 618 . 1 1 51 51 SER CA C 13 61.444 0.300 . 1 . . . . 51 SER CA . 10111 1 619 . 1 1 51 51 SER CB C 13 62.235 0.300 . 1 . . . . 51 SER CB . 10111 1 620 . 1 1 51 51 SER N N 15 113.471 0.300 . 1 . . . . 51 SER N . 10111 1 621 . 1 1 52 52 GLN H H 1 7.873 0.030 . 1 . . . . 52 GLN H . 10111 1 622 . 1 1 52 52 GLN HA H 1 4.308 0.030 . 1 . . . . 52 GLN HA . 10111 1 623 . 1 1 52 52 GLN HB2 H 1 2.344 0.030 . 2 . . . . 52 GLN HB2 . 10111 1 624 . 1 1 52 52 GLN HB3 H 1 2.176 0.030 . 2 . . . . 52 GLN HB3 . 10111 1 625 . 1 1 52 52 GLN HG2 H 1 2.530 0.030 . 2 . . . . 52 GLN HG2 . 10111 1 626 . 1 1 52 52 GLN HG3 H 1 2.412 0.030 . 2 . . . . 52 GLN HG3 . 10111 1 627 . 1 1 52 52 GLN HE21 H 1 7.590 0.030 . 2 . . . . 52 GLN HE21 . 10111 1 628 . 1 1 52 52 GLN HE22 H 1 6.889 0.030 . 2 . . . . 52 GLN HE22 . 10111 1 629 . 1 1 52 52 GLN C C 13 178.666 0.300 . 1 . . . . 52 GLN C . 10111 1 630 . 1 1 52 52 GLN CA C 13 58.842 0.300 . 1 . . . . 52 GLN CA . 10111 1 631 . 1 1 52 52 GLN CB C 13 29.077 0.300 . 1 . . . . 52 GLN CB . 10111 1 632 . 1 1 52 52 GLN CG C 13 35.022 0.300 . 1 . . . . 52 GLN CG . 10111 1 633 . 1 1 52 52 GLN N N 15 124.138 0.300 . 1 . . . . 52 GLN N . 10111 1 634 . 1 1 52 52 GLN NE2 N 15 112.116 0.300 . 1 . . . . 52 GLN NE2 . 10111 1 635 . 1 1 53 53 LYS H H 1 8.517 0.030 . 1 . . . . 53 LYS H . 10111 1 636 . 1 1 53 53 LYS HA H 1 3.947 0.030 . 1 . . . . 53 LYS HA . 10111 1 637 . 1 1 53 53 LYS HB2 H 1 1.875 0.030 . 2 . . . . 53 LYS HB2 . 10111 1 638 . 1 1 53 53 LYS HB3 H 1 1.645 0.030 . 2 . . . . 53 LYS HB3 . 10111 1 639 . 1 1 53 53 LYS HG2 H 1 1.058 0.030 . 2 . . . . 53 LYS HG2 . 10111 1 640 . 1 1 53 53 LYS HG3 H 1 -0.683 0.030 . 2 . . . . 53 LYS HG3 . 10111 1 641 . 1 1 53 53 LYS HD2 H 1 1.163 0.030 . 1 . . . . 53 LYS HD2 . 10111 1 642 . 1 1 53 53 LYS HD3 H 1 1.163 0.030 . 1 . . . . 53 LYS HD3 . 10111 1 643 . 1 1 53 53 LYS HE2 H 1 2.278 0.030 . 2 . . . . 53 LYS HE2 . 10111 1 644 . 1 1 53 53 LYS HE3 H 1 1.539 0.030 . 2 . . . . 53 LYS HE3 . 10111 1 645 . 1 1 53 53 LYS C C 13 180.442 0.300 . 1 . . . . 53 LYS C . 10111 1 646 . 1 1 53 53 LYS CA C 13 61.550 0.300 . 1 . . . . 53 LYS CA . 10111 1 647 . 1 1 53 53 LYS CB C 13 32.580 0.300 . 1 . . . . 53 LYS CB . 10111 1 648 . 1 1 53 53 LYS CG C 13 25.846 0.300 . 1 . . . . 53 LYS CG . 10111 1 649 . 1 1 53 53 LYS CD C 13 29.660 0.300 . 1 . . . . 53 LYS CD . 10111 1 650 . 1 1 53 53 LYS CE C 13 42.327 0.300 . 1 . . . . 53 LYS CE . 10111 1 651 . 1 1 53 53 LYS N N 15 121.308 0.300 . 1 . . . . 53 LYS N . 10111 1 652 . 1 1 54 54 GLU H H 1 8.374 0.030 . 1 . . . . 54 GLU H . 10111 1 653 . 1 1 54 54 GLU HA H 1 4.152 0.030 . 1 . . . . 54 GLU HA . 10111 1 654 . 1 1 54 54 GLU HB2 H 1 2.254 0.030 . 2 . . . . 54 GLU HB2 . 10111 1 655 . 1 1 54 54 GLU HB3 H 1 2.169 0.030 . 2 . . . . 54 GLU HB3 . 10111 1 656 . 1 1 54 54 GLU HG2 H 1 2.485 0.030 . 2 . . . . 54 GLU HG2 . 10111 1 657 . 1 1 54 54 GLU HG3 H 1 2.451 0.030 . 2 . . . . 54 GLU HG3 . 10111 1 658 . 1 1 54 54 GLU C C 13 178.678 0.300 . 1 . . . . 54 GLU C . 10111 1 659 . 1 1 54 54 GLU CA C 13 59.106 0.300 . 1 . . . . 54 GLU CA . 10111 1 660 . 1 1 54 54 GLU CB C 13 29.138 0.300 . 1 . . . . 54 GLU CB . 10111 1 661 . 1 1 54 54 GLU CG C 13 36.239 0.300 . 1 . . . . 54 GLU CG . 10111 1 662 . 1 1 54 54 GLU N N 15 119.656 0.300 . 1 . . . . 54 GLU N . 10111 1 663 . 1 1 55 55 HIS H H 1 7.954 0.030 . 1 . . . . 55 HIS H . 10111 1 664 . 1 1 55 55 HIS HA H 1 4.471 0.030 . 1 . . . . 55 HIS HA . 10111 1 665 . 1 1 55 55 HIS HB2 H 1 3.606 0.030 . 2 . . . . 55 HIS HB2 . 10111 1 666 . 1 1 55 55 HIS HB3 H 1 3.223 0.030 . 2 . . . . 55 HIS HB3 . 10111 1 667 . 1 1 55 55 HIS HD2 H 1 6.295 0.030 . 1 . . . . 55 HIS HD2 . 10111 1 668 . 1 1 55 55 HIS HE1 H 1 8.185 0.030 . 1 . . . . 55 HIS HE1 . 10111 1 669 . 1 1 55 55 HIS C C 13 177.984 0.300 . 1 . . . . 55 HIS C . 10111 1 670 . 1 1 55 55 HIS CA C 13 59.481 0.300 . 1 . . . . 55 HIS CA . 10111 1 671 . 1 1 55 55 HIS CB C 13 28.936 0.300 . 1 . . . . 55 HIS CB . 10111 1 672 . 1 1 55 55 HIS CD2 C 13 119.186 0.300 . 1 . . . . 55 HIS CD2 . 10111 1 673 . 1 1 55 55 HIS CE1 C 13 137.766 0.300 . 1 . . . . 55 HIS CE1 . 10111 1 674 . 1 1 55 55 HIS N N 15 120.753 0.300 . 1 . . . . 55 HIS N . 10111 1 675 . 1 1 56 56 TYR H H 1 8.220 0.030 . 1 . . . . 56 TYR H . 10111 1 676 . 1 1 56 56 TYR HA H 1 3.971 0.030 . 1 . . . . 56 TYR HA . 10111 1 677 . 1 1 56 56 TYR HB2 H 1 3.562 0.030 . 2 . . . . 56 TYR HB2 . 10111 1 678 . 1 1 56 56 TYR HB3 H 1 3.276 0.030 . 2 . . . . 56 TYR HB3 . 10111 1 679 . 1 1 56 56 TYR HD1 H 1 7.386 0.030 . 1 . . . . 56 TYR HD1 . 10111 1 680 . 1 1 56 56 TYR HD2 H 1 7.386 0.030 . 1 . . . . 56 TYR HD2 . 10111 1 681 . 1 1 56 56 TYR HE1 H 1 7.116 0.030 . 1 . . . . 56 TYR HE1 . 10111 1 682 . 1 1 56 56 TYR HE2 H 1 7.116 0.030 . 1 . . . . 56 TYR HE2 . 10111 1 683 . 1 1 56 56 TYR C C 13 178.179 0.300 . 1 . . . . 56 TYR C . 10111 1 684 . 1 1 56 56 TYR CA C 13 64.680 0.300 . 1 . . . . 56 TYR CA . 10111 1 685 . 1 1 56 56 TYR CB C 13 38.170 0.300 . 1 . . . . 56 TYR CB . 10111 1 686 . 1 1 56 56 TYR CD1 C 13 133.077 0.300 . 1 . . . . 56 TYR CD1 . 10111 1 687 . 1 1 56 56 TYR CD2 C 13 133.077 0.300 . 1 . . . . 56 TYR CD2 . 10111 1 688 . 1 1 56 56 TYR CE1 C 13 118.504 0.300 . 1 . . . . 56 TYR CE1 . 10111 1 689 . 1 1 56 56 TYR CE2 C 13 118.504 0.300 . 1 . . . . 56 TYR CE2 . 10111 1 690 . 1 1 56 56 TYR N N 15 117.607 0.300 . 1 . . . . 56 TYR N . 10111 1 691 . 1 1 57 57 LYS H H 1 8.318 0.030 . 1 . . . . 57 LYS H . 10111 1 692 . 1 1 57 57 LYS HA H 1 3.905 0.030 . 1 . . . . 57 LYS HA . 10111 1 693 . 1 1 57 57 LYS HB2 H 1 2.247 0.030 . 2 . . . . 57 LYS HB2 . 10111 1 694 . 1 1 57 57 LYS HB3 H 1 2.213 0.030 . 2 . . . . 57 LYS HB3 . 10111 1 695 . 1 1 57 57 LYS HG2 H 1 1.703 0.030 . 2 . . . . 57 LYS HG2 . 10111 1 696 . 1 1 57 57 LYS HG3 H 1 1.445 0.030 . 2 . . . . 57 LYS HG3 . 10111 1 697 . 1 1 57 57 LYS HD2 H 1 1.719 0.030 . 1 . . . . 57 LYS HD2 . 10111 1 698 . 1 1 57 57 LYS HD3 H 1 1.719 0.030 . 1 . . . . 57 LYS HD3 . 10111 1 699 . 1 1 57 57 LYS HE2 H 1 3.096 0.030 . 1 . . . . 57 LYS HE2 . 10111 1 700 . 1 1 57 57 LYS HE3 H 1 3.096 0.030 . 1 . . . . 57 LYS HE3 . 10111 1 701 . 1 1 57 57 LYS C C 13 178.386 0.300 . 1 . . . . 57 LYS C . 10111 1 702 . 1 1 57 57 LYS CA C 13 60.400 0.300 . 1 . . . . 57 LYS CA . 10111 1 703 . 1 1 57 57 LYS CB C 13 32.535 0.300 . 1 . . . . 57 LYS CB . 10111 1 704 . 1 1 57 57 LYS CG C 13 24.857 0.300 . 1 . . . . 57 LYS CG . 10111 1 705 . 1 1 57 57 LYS CD C 13 29.485 0.300 . 1 . . . . 57 LYS CD . 10111 1 706 . 1 1 57 57 LYS CE C 13 42.220 0.300 . 1 . . . . 57 LYS CE . 10111 1 707 . 1 1 57 57 LYS N N 15 121.558 0.300 . 1 . . . . 57 LYS N . 10111 1 708 . 1 1 58 58 LYS H H 1 8.239 0.030 . 1 . . . . 58 LYS H . 10111 1 709 . 1 1 58 58 LYS HA H 1 4.163 0.030 . 1 . . . . 58 LYS HA . 10111 1 710 . 1 1 58 58 LYS HB2 H 1 2.034 0.030 . 2 . . . . 58 LYS HB2 . 10111 1 711 . 1 1 58 58 LYS HB3 H 1 1.978 0.030 . 2 . . . . 58 LYS HB3 . 10111 1 712 . 1 1 58 58 LYS HG2 H 1 1.669 0.030 . 2 . . . . 58 LYS HG2 . 10111 1 713 . 1 1 58 58 LYS HG3 H 1 1.515 0.030 . 2 . . . . 58 LYS HG3 . 10111 1 714 . 1 1 58 58 LYS HD2 H 1 1.997 0.030 . 2 . . . . 58 LYS HD2 . 10111 1 715 . 1 1 58 58 LYS HD3 H 1 1.736 0.030 . 2 . . . . 58 LYS HD3 . 10111 1 716 . 1 1 58 58 LYS HE2 H 1 3.004 0.030 . 1 . . . . 58 LYS HE2 . 10111 1 717 . 1 1 58 58 LYS HE3 H 1 3.004 0.030 . 1 . . . . 58 LYS HE3 . 10111 1 718 . 1 1 58 58 LYS C C 13 180.016 0.300 . 1 . . . . 58 LYS C . 10111 1 719 . 1 1 58 58 LYS CA C 13 59.213 0.300 . 1 . . . . 58 LYS CA . 10111 1 720 . 1 1 58 58 LYS CB C 13 31.961 0.300 . 1 . . . . 58 LYS CB . 10111 1 721 . 1 1 58 58 LYS CG C 13 25.269 0.300 . 1 . . . . 58 LYS CG . 10111 1 722 . 1 1 58 58 LYS CD C 13 28.707 0.300 . 1 . . . . 58 LYS CD . 10111 1 723 . 1 1 58 58 LYS CE C 13 42.674 0.300 . 1 . . . . 58 LYS CE . 10111 1 724 . 1 1 58 58 LYS N N 15 120.120 0.300 . 1 . . . . 58 LYS N . 10111 1 725 . 1 1 59 59 LEU H H 1 8.238 0.030 . 1 . . . . 59 LEU H . 10111 1 726 . 1 1 59 59 LEU HA H 1 4.089 0.030 . 1 . . . . 59 LEU HA . 10111 1 727 . 1 1 59 59 LEU HB2 H 1 1.846 0.030 . 2 . . . . 59 LEU HB2 . 10111 1 728 . 1 1 59 59 LEU HB3 H 1 1.365 0.030 . 2 . . . . 59 LEU HB3 . 10111 1 729 . 1 1 59 59 LEU HG H 1 1.364 0.030 . 1 . . . . 59 LEU HG . 10111 1 730 . 1 1 59 59 LEU HD11 H 1 0.774 0.030 . 1 . . . . 59 LEU HD1 . 10111 1 731 . 1 1 59 59 LEU HD12 H 1 0.774 0.030 . 1 . . . . 59 LEU HD1 . 10111 1 732 . 1 1 59 59 LEU HD13 H 1 0.774 0.030 . 1 . . . . 59 LEU HD1 . 10111 1 733 . 1 1 59 59 LEU HD21 H 1 0.589 0.030 . 1 . . . . 59 LEU HD2 . 10111 1 734 . 1 1 59 59 LEU HD22 H 1 0.589 0.030 . 1 . . . . 59 LEU HD2 . 10111 1 735 . 1 1 59 59 LEU HD23 H 1 0.589 0.030 . 1 . . . . 59 LEU HD2 . 10111 1 736 . 1 1 59 59 LEU C C 13 180.405 0.300 . 1 . . . . 59 LEU C . 10111 1 737 . 1 1 59 59 LEU CA C 13 57.717 0.300 . 1 . . . . 59 LEU CA . 10111 1 738 . 1 1 59 59 LEU CB C 13 42.550 0.300 . 1 . . . . 59 LEU CB . 10111 1 739 . 1 1 59 59 LEU CG C 13 26.336 0.300 . 1 . . . . 59 LEU CG . 10111 1 740 . 1 1 59 59 LEU CD1 C 13 22.637 0.300 . 2 . . . . 59 LEU CD1 . 10111 1 741 . 1 1 59 59 LEU CD2 C 13 25.287 0.300 . 2 . . . . 59 LEU CD2 . 10111 1 742 . 1 1 59 59 LEU N N 15 119.794 0.300 . 1 . . . . 59 LEU N . 10111 1 743 . 1 1 60 60 ALA H H 1 8.281 0.030 . 1 . . . . 60 ALA H . 10111 1 744 . 1 1 60 60 ALA HA H 1 4.048 0.030 . 1 . . . . 60 ALA HA . 10111 1 745 . 1 1 60 60 ALA HB1 H 1 1.330 0.030 . 1 . . . . 60 ALA HB . 10111 1 746 . 1 1 60 60 ALA HB2 H 1 1.330 0.030 . 1 . . . . 60 ALA HB . 10111 1 747 . 1 1 60 60 ALA HB3 H 1 1.330 0.030 . 1 . . . . 60 ALA HB . 10111 1 748 . 1 1 60 60 ALA C C 13 179.506 0.300 . 1 . . . . 60 ALA C . 10111 1 749 . 1 1 60 60 ALA CA C 13 55.519 0.300 . 1 . . . . 60 ALA CA . 10111 1 750 . 1 1 60 60 ALA CB C 13 17.346 0.300 . 1 . . . . 60 ALA CB . 10111 1 751 . 1 1 60 60 ALA N N 15 122.332 0.300 . 1 . . . . 60 ALA N . 10111 1 752 . 1 1 61 61 GLU H H 1 8.326 0.030 . 1 . . . . 61 GLU H . 10111 1 753 . 1 1 61 61 GLU HA H 1 3.933 0.030 . 1 . . . . 61 GLU HA . 10111 1 754 . 1 1 61 61 GLU HB2 H 1 2.292 0.030 . 2 . . . . 61 GLU HB2 . 10111 1 755 . 1 1 61 61 GLU HB3 H 1 2.099 0.030 . 2 . . . . 61 GLU HB3 . 10111 1 756 . 1 1 61 61 GLU HG2 H 1 2.594 0.030 . 2 . . . . 61 GLU HG2 . 10111 1 757 . 1 1 61 61 GLU HG3 H 1 2.296 0.030 . 2 . . . . 61 GLU HG3 . 10111 1 758 . 1 1 61 61 GLU C C 13 179.700 0.300 . 1 . . . . 61 GLU C . 10111 1 759 . 1 1 61 61 GLU CA C 13 59.581 0.300 . 1 . . . . 61 GLU CA . 10111 1 760 . 1 1 61 61 GLU CB C 13 29.367 0.300 . 1 . . . . 61 GLU CB . 10111 1 761 . 1 1 61 61 GLU CG C 13 36.805 0.300 . 1 . . . . 61 GLU CG . 10111 1 762 . 1 1 61 61 GLU N N 15 118.868 0.300 . 1 . . . . 61 GLU N . 10111 1 763 . 1 1 62 62 GLU H H 1 8.238 0.030 . 1 . . . . 62 GLU H . 10111 1 764 . 1 1 62 62 GLU HA H 1 4.249 0.030 . 1 . . . . 62 GLU HA . 10111 1 765 . 1 1 62 62 GLU HB2 H 1 2.223 0.030 . 2 . . . . 62 GLU HB2 . 10111 1 766 . 1 1 62 62 GLU HB3 H 1 2.114 0.030 . 2 . . . . 62 GLU HB3 . 10111 1 767 . 1 1 62 62 GLU HG2 H 1 2.394 0.030 . 1 . . . . 62 GLU HG2 . 10111 1 768 . 1 1 62 62 GLU HG3 H 1 2.394 0.030 . 1 . . . . 62 GLU HG3 . 10111 1 769 . 1 1 62 62 GLU C C 13 178.990 0.300 . 1 . . . . 62 GLU C . 10111 1 770 . 1 1 62 62 GLU CA C 13 59.036 0.300 . 1 . . . . 62 GLU CA . 10111 1 771 . 1 1 62 62 GLU CB C 13 29.154 0.300 . 1 . . . . 62 GLU CB . 10111 1 772 . 1 1 62 62 GLU CG C 13 35.816 0.300 . 1 . . . . 62 GLU CG . 10111 1 773 . 1 1 62 62 GLU N N 15 120.696 0.300 . 1 . . . . 62 GLU N . 10111 1 774 . 1 1 63 63 GLN H H 1 8.079 0.030 . 1 . . . . 63 GLN H . 10111 1 775 . 1 1 63 63 GLN HA H 1 4.164 0.030 . 1 . . . . 63 GLN HA . 10111 1 776 . 1 1 63 63 GLN HB2 H 1 2.315 0.030 . 2 . . . . 63 GLN HB2 . 10111 1 777 . 1 1 63 63 GLN HB3 H 1 2.169 0.030 . 2 . . . . 63 GLN HB3 . 10111 1 778 . 1 1 63 63 GLN HG2 H 1 2.612 0.030 . 2 . . . . 63 GLN HG2 . 10111 1 779 . 1 1 63 63 GLN HG3 H 1 2.477 0.030 . 2 . . . . 63 GLN HG3 . 10111 1 780 . 1 1 63 63 GLN HE21 H 1 7.691 0.030 . 2 . . . . 63 GLN HE21 . 10111 1 781 . 1 1 63 63 GLN HE22 H 1 6.961 0.030 . 2 . . . . 63 GLN HE22 . 10111 1 782 . 1 1 63 63 GLN C C 13 179.750 0.300 . 1 . . . . 63 GLN C . 10111 1 783 . 1 1 63 63 GLN CA C 13 59.221 0.300 . 1 . . . . 63 GLN CA . 10111 1 784 . 1 1 63 63 GLN CB C 13 28.479 0.300 . 1 . . . . 63 GLN CB . 10111 1 785 . 1 1 63 63 GLN CG C 13 34.846 0.300 . 1 . . . . 63 GLN CG . 10111 1 786 . 1 1 63 63 GLN N N 15 119.311 0.300 . 1 . . . . 63 GLN N . 10111 1 787 . 1 1 63 63 GLN NE2 N 15 111.460 0.300 . 1 . . . . 63 GLN NE2 . 10111 1 788 . 1 1 64 64 GLN H H 1 8.491 0.030 . 1 . . . . 64 GLN H . 10111 1 789 . 1 1 64 64 GLN HA H 1 4.014 0.030 . 1 . . . . 64 GLN HA . 10111 1 790 . 1 1 64 64 GLN HB2 H 1 2.397 0.030 . 2 . . . . 64 GLN HB2 . 10111 1 791 . 1 1 64 64 GLN HB3 H 1 2.238 0.030 . 2 . . . . 64 GLN HB3 . 10111 1 792 . 1 1 64 64 GLN HG2 H 1 2.626 0.030 . 2 . . . . 64 GLN HG2 . 10111 1 793 . 1 1 64 64 GLN HG3 H 1 2.445 0.030 . 2 . . . . 64 GLN HG3 . 10111 1 794 . 1 1 64 64 GLN HE21 H 1 7.377 0.030 . 2 . . . . 64 GLN HE21 . 10111 1 795 . 1 1 64 64 GLN HE22 H 1 6.492 0.030 . 2 . . . . 64 GLN HE22 . 10111 1 796 . 1 1 64 64 GLN C C 13 178.399 0.300 . 1 . . . . 64 GLN C . 10111 1 797 . 1 1 64 64 GLN CA C 13 59.134 0.300 . 1 . . . . 64 GLN CA . 10111 1 798 . 1 1 64 64 GLN CB C 13 28.074 0.300 . 1 . . . . 64 GLN CB . 10111 1 799 . 1 1 64 64 GLN CG C 13 33.828 0.300 . 1 . . . . 64 GLN CG . 10111 1 800 . 1 1 64 64 GLN N N 15 120.721 0.300 . 1 . . . . 64 GLN N . 10111 1 801 . 1 1 64 64 GLN NE2 N 15 110.364 0.300 . 1 . . . . 64 GLN NE2 . 10111 1 802 . 1 1 65 65 ARG H H 1 8.112 0.030 . 1 . . . . 65 ARG H . 10111 1 803 . 1 1 65 65 ARG HA H 1 4.139 0.030 . 1 . . . . 65 ARG HA . 10111 1 804 . 1 1 65 65 ARG HB2 H 1 2.068 0.030 . 2 . . . . 65 ARG HB2 . 10111 1 805 . 1 1 65 65 ARG HB3 H 1 2.013 0.030 . 2 . . . . 65 ARG HB3 . 10111 1 806 . 1 1 65 65 ARG HG2 H 1 1.872 0.030 . 2 . . . . 65 ARG HG2 . 10111 1 807 . 1 1 65 65 ARG HG3 H 1 1.629 0.030 . 2 . . . . 65 ARG HG3 . 10111 1 808 . 1 1 65 65 ARG HD2 H 1 3.286 0.030 . 1 . . . . 65 ARG HD2 . 10111 1 809 . 1 1 65 65 ARG HD3 H 1 3.286 0.030 . 1 . . . . 65 ARG HD3 . 10111 1 810 . 1 1 65 65 ARG HE H 1 7.671 0.030 . 1 . . . . 65 ARG HE . 10111 1 811 . 1 1 65 65 ARG C C 13 179.335 0.300 . 1 . . . . 65 ARG C . 10111 1 812 . 1 1 65 65 ARG CA C 13 59.874 0.300 . 1 . . . . 65 ARG CA . 10111 1 813 . 1 1 65 65 ARG CB C 13 30.479 0.300 . 1 . . . . 65 ARG CB . 10111 1 814 . 1 1 65 65 ARG CG C 13 27.988 0.300 . 1 . . . . 65 ARG CG . 10111 1 815 . 1 1 65 65 ARG CD C 13 43.479 0.300 . 1 . . . . 65 ARG CD . 10111 1 816 . 1 1 65 65 ARG N N 15 121.033 0.300 . 1 . . . . 65 ARG N . 10111 1 817 . 1 1 66 66 GLN H H 1 8.155 0.030 . 1 . . . . 66 GLN H . 10111 1 818 . 1 1 66 66 GLN HA H 1 4.033 0.030 . 1 . . . . 66 GLN HA . 10111 1 819 . 1 1 66 66 GLN HB2 H 1 2.088 0.030 . 1 . . . . 66 GLN HB2 . 10111 1 820 . 1 1 66 66 GLN HB3 H 1 2.088 0.030 . 1 . . . . 66 GLN HB3 . 10111 1 821 . 1 1 66 66 GLN HG2 H 1 2.515 0.030 . 2 . . . . 66 GLN HG2 . 10111 1 822 . 1 1 66 66 GLN HG3 H 1 2.380 0.030 . 2 . . . . 66 GLN HG3 . 10111 1 823 . 1 1 66 66 GLN HE21 H 1 7.616 0.030 . 2 . . . . 66 GLN HE21 . 10111 1 824 . 1 1 66 66 GLN HE22 H 1 6.880 0.030 . 2 . . . . 66 GLN HE22 . 10111 1 825 . 1 1 66 66 GLN C C 13 177.924 0.300 . 1 . . . . 66 GLN C . 10111 1 826 . 1 1 66 66 GLN CA C 13 58.323 0.300 . 1 . . . . 66 GLN CA . 10111 1 827 . 1 1 66 66 GLN CB C 13 28.679 0.300 . 1 . . . . 66 GLN CB . 10111 1 828 . 1 1 66 66 GLN CG C 13 33.891 0.300 . 1 . . . . 66 GLN CG . 10111 1 829 . 1 1 66 66 GLN N N 15 118.071 0.300 . 1 . . . . 66 GLN N . 10111 1 830 . 1 1 66 66 GLN NE2 N 15 111.994 0.300 . 1 . . . . 66 GLN NE2 . 10111 1 831 . 1 1 67 67 TYR H H 1 8.290 0.030 . 1 . . . . 67 TYR H . 10111 1 832 . 1 1 67 67 TYR HA H 1 4.368 0.030 . 1 . . . . 67 TYR HA . 10111 1 833 . 1 1 67 67 TYR HB2 H 1 3.192 0.030 . 1 . . . . 67 TYR HB2 . 10111 1 834 . 1 1 67 67 TYR HB3 H 1 3.192 0.030 . 1 . . . . 67 TYR HB3 . 10111 1 835 . 1 1 67 67 TYR HD1 H 1 7.142 0.030 . 1 . . . . 67 TYR HD1 . 10111 1 836 . 1 1 67 67 TYR HD2 H 1 7.142 0.030 . 1 . . . . 67 TYR HD2 . 10111 1 837 . 1 1 67 67 TYR HE1 H 1 6.679 0.030 . 1 . . . . 67 TYR HE1 . 10111 1 838 . 1 1 67 67 TYR HE2 H 1 6.679 0.030 . 1 . . . . 67 TYR HE2 . 10111 1 839 . 1 1 67 67 TYR C C 13 176.244 0.300 . 1 . . . . 67 TYR C . 10111 1 840 . 1 1 67 67 TYR CA C 13 61.150 0.300 . 1 . . . . 67 TYR CA . 10111 1 841 . 1 1 67 67 TYR CB C 13 38.265 0.300 . 1 . . . . 67 TYR CB . 10111 1 842 . 1 1 67 67 TYR CD1 C 13 133.700 0.300 . 1 . . . . 67 TYR CD1 . 10111 1 843 . 1 1 67 67 TYR CD2 C 13 133.700 0.300 . 1 . . . . 67 TYR CD2 . 10111 1 844 . 1 1 67 67 TYR CE1 C 13 118.051 0.300 . 1 . . . . 67 TYR CE1 . 10111 1 845 . 1 1 67 67 TYR CE2 C 13 118.051 0.300 . 1 . . . . 67 TYR CE2 . 10111 1 846 . 1 1 67 67 TYR N N 15 120.716 0.300 . 1 . . . . 67 TYR N . 10111 1 847 . 1 1 68 68 LYS H H 1 7.747 0.030 . 1 . . . . 68 LYS H . 10111 1 848 . 1 1 68 68 LYS HA H 1 3.800 0.030 . 1 . . . . 68 LYS HA . 10111 1 849 . 1 1 68 68 LYS HB2 H 1 2.013 0.030 . 1 . . . . 68 LYS HB2 . 10111 1 850 . 1 1 68 68 LYS HB3 H 1 2.013 0.030 . 1 . . . . 68 LYS HB3 . 10111 1 851 . 1 1 68 68 LYS HG2 H 1 1.694 0.030 . 2 . . . . 68 LYS HG2 . 10111 1 852 . 1 1 68 68 LYS HG3 H 1 1.531 0.030 . 2 . . . . 68 LYS HG3 . 10111 1 853 . 1 1 68 68 LYS HD2 H 1 1.807 0.030 . 1 . . . . 68 LYS HD2 . 10111 1 854 . 1 1 68 68 LYS HD3 H 1 1.807 0.030 . 1 . . . . 68 LYS HD3 . 10111 1 855 . 1 1 68 68 LYS HE2 H 1 3.088 0.030 . 1 . . . . 68 LYS HE2 . 10111 1 856 . 1 1 68 68 LYS HE3 H 1 3.088 0.030 . 1 . . . . 68 LYS HE3 . 10111 1 857 . 1 1 68 68 LYS C C 13 178.702 0.300 . 1 . . . . 68 LYS C . 10111 1 858 . 1 1 68 68 LYS CA C 13 59.528 0.300 . 1 . . . . 68 LYS CA . 10111 1 859 . 1 1 68 68 LYS CB C 13 32.332 0.300 . 1 . . . . 68 LYS CB . 10111 1 860 . 1 1 68 68 LYS CG C 13 25.477 0.300 . 1 . . . . 68 LYS CG . 10111 1 861 . 1 1 68 68 LYS CD C 13 29.042 0.300 . 1 . . . . 68 LYS CD . 10111 1 862 . 1 1 68 68 LYS CE C 13 42.243 0.300 . 1 . . . . 68 LYS CE . 10111 1 863 . 1 1 68 68 LYS N N 15 118.717 0.300 . 1 . . . . 68 LYS N . 10111 1 864 . 1 1 69 69 VAL H H 1 7.399 0.030 . 1 . . . . 69 VAL H . 10111 1 865 . 1 1 69 69 VAL HA H 1 3.827 0.030 . 1 . . . . 69 VAL HA . 10111 1 866 . 1 1 69 69 VAL HB H 1 2.133 0.030 . 1 . . . . 69 VAL HB . 10111 1 867 . 1 1 69 69 VAL HG11 H 1 1.073 0.030 . 1 . . . . 69 VAL HG1 . 10111 1 868 . 1 1 69 69 VAL HG12 H 1 1.073 0.030 . 1 . . . . 69 VAL HG1 . 10111 1 869 . 1 1 69 69 VAL HG13 H 1 1.073 0.030 . 1 . . . . 69 VAL HG1 . 10111 1 870 . 1 1 69 69 VAL HG21 H 1 0.931 0.030 . 1 . . . . 69 VAL HG2 . 10111 1 871 . 1 1 69 69 VAL HG22 H 1 0.931 0.030 . 1 . . . . 69 VAL HG2 . 10111 1 872 . 1 1 69 69 VAL HG23 H 1 0.931 0.030 . 1 . . . . 69 VAL HG2 . 10111 1 873 . 1 1 69 69 VAL C C 13 178.703 0.300 . 1 . . . . 69 VAL C . 10111 1 874 . 1 1 69 69 VAL CA C 13 65.745 0.300 . 1 . . . . 69 VAL CA . 10111 1 875 . 1 1 69 69 VAL CB C 13 31.980 0.300 . 1 . . . . 69 VAL CB . 10111 1 876 . 1 1 69 69 VAL CG1 C 13 22.090 0.300 . 2 . . . . 69 VAL CG1 . 10111 1 877 . 1 1 69 69 VAL CG2 C 13 20.910 0.300 . 2 . . . . 69 VAL CG2 . 10111 1 878 . 1 1 69 69 VAL N N 15 118.609 0.300 . 1 . . . . 69 VAL N . 10111 1 879 . 1 1 70 70 HIS H H 1 8.200 0.030 . 1 . . . . 70 HIS H . 10111 1 880 . 1 1 70 70 HIS HA H 1 4.425 0.030 . 1 . . . . 70 HIS HA . 10111 1 881 . 1 1 70 70 HIS HB2 H 1 3.207 0.030 . 2 . . . . 70 HIS HB2 . 10111 1 882 . 1 1 70 70 HIS HB3 H 1 3.132 0.030 . 2 . . . . 70 HIS HB3 . 10111 1 883 . 1 1 70 70 HIS HD2 H 1 7.070 0.030 . 1 . . . . 70 HIS HD2 . 10111 1 884 . 1 1 70 70 HIS HE1 H 1 8.102 0.030 . 1 . . . . 70 HIS HE1 . 10111 1 885 . 1 1 70 70 HIS C C 13 178.203 0.300 . 1 . . . . 70 HIS C . 10111 1 886 . 1 1 70 70 HIS CA C 13 58.460 0.300 . 1 . . . . 70 HIS CA . 10111 1 887 . 1 1 70 70 HIS CB C 13 29.818 0.300 . 1 . . . . 70 HIS CB . 10111 1 888 . 1 1 70 70 HIS CD2 C 13 119.165 0.300 . 1 . . . . 70 HIS CD2 . 10111 1 889 . 1 1 70 70 HIS CE1 C 13 137.787 0.300 . 1 . . . . 70 HIS CE1 . 10111 1 890 . 1 1 70 70 HIS N N 15 118.862 0.300 . 1 . . . . 70 HIS N . 10111 1 891 . 1 1 71 71 LEU H H 1 9.154 0.030 . 1 . . . . 71 LEU H . 10111 1 892 . 1 1 71 71 LEU HA H 1 4.037 0.030 . 1 . . . . 71 LEU HA . 10111 1 893 . 1 1 71 71 LEU HB2 H 1 1.696 0.030 . 2 . . . . 71 LEU HB2 . 10111 1 894 . 1 1 71 71 LEU HB3 H 1 1.018 0.030 . 2 . . . . 71 LEU HB3 . 10111 1 895 . 1 1 71 71 LEU HG H 1 1.638 0.030 . 1 . . . . 71 LEU HG . 10111 1 896 . 1 1 71 71 LEU HD11 H 1 0.978 0.030 . 1 . . . . 71 LEU HD1 . 10111 1 897 . 1 1 71 71 LEU HD12 H 1 0.978 0.030 . 1 . . . . 71 LEU HD1 . 10111 1 898 . 1 1 71 71 LEU HD13 H 1 0.978 0.030 . 1 . . . . 71 LEU HD1 . 10111 1 899 . 1 1 71 71 LEU HD21 H 1 0.969 0.030 . 1 . . . . 71 LEU HD2 . 10111 1 900 . 1 1 71 71 LEU HD22 H 1 0.969 0.030 . 1 . . . . 71 LEU HD2 . 10111 1 901 . 1 1 71 71 LEU HD23 H 1 0.969 0.030 . 1 . . . . 71 LEU HD2 . 10111 1 902 . 1 1 71 71 LEU C C 13 177.765 0.300 . 1 . . . . 71 LEU C . 10111 1 903 . 1 1 71 71 LEU CA C 13 58.252 0.300 . 1 . . . . 71 LEU CA . 10111 1 904 . 1 1 71 71 LEU CB C 13 41.742 0.300 . 1 . . . . 71 LEU CB . 10111 1 905 . 1 1 71 71 LEU CG C 13 26.824 0.300 . 1 . . . . 71 LEU CG . 10111 1 906 . 1 1 71 71 LEU CD1 C 13 23.563 0.300 . 2 . . . . 71 LEU CD1 . 10111 1 907 . 1 1 71 71 LEU CD2 C 13 25.218 0.300 . 2 . . . . 71 LEU CD2 . 10111 1 908 . 1 1 71 71 LEU N N 15 123.591 0.300 . 1 . . . . 71 LEU N . 10111 1 909 . 1 1 72 72 ASP H H 1 7.952 0.030 . 1 . . . . 72 ASP H . 10111 1 910 . 1 1 72 72 ASP HA H 1 4.428 0.030 . 1 . . . . 72 ASP HA . 10111 1 911 . 1 1 72 72 ASP HB2 H 1 2.827 0.030 . 2 . . . . 72 ASP HB2 . 10111 1 912 . 1 1 72 72 ASP HB3 H 1 2.702 0.030 . 2 . . . . 72 ASP HB3 . 10111 1 913 . 1 1 72 72 ASP C C 13 178.848 0.300 . 1 . . . . 72 ASP C . 10111 1 914 . 1 1 72 72 ASP CA C 13 57.542 0.300 . 1 . . . . 72 ASP CA . 10111 1 915 . 1 1 72 72 ASP CB C 13 40.861 0.300 . 1 . . . . 72 ASP CB . 10111 1 916 . 1 1 72 72 ASP N N 15 118.915 0.300 . 1 . . . . 72 ASP N . 10111 1 917 . 1 1 73 73 LEU H H 1 7.788 0.030 . 1 . . . . 73 LEU H . 10111 1 918 . 1 1 73 73 LEU HA H 1 4.063 0.030 . 1 . . . . 73 LEU HA . 10111 1 919 . 1 1 73 73 LEU HB2 H 1 1.905 0.030 . 2 . . . . 73 LEU HB2 . 10111 1 920 . 1 1 73 73 LEU HB3 H 1 1.619 0.030 . 2 . . . . 73 LEU HB3 . 10111 1 921 . 1 1 73 73 LEU HG H 1 1.850 0.030 . 1 . . . . 73 LEU HG . 10111 1 922 . 1 1 73 73 LEU HD11 H 1 0.926 0.030 . 1 . . . . 73 LEU HD1 . 10111 1 923 . 1 1 73 73 LEU HD12 H 1 0.926 0.030 . 1 . . . . 73 LEU HD1 . 10111 1 924 . 1 1 73 73 LEU HD13 H 1 0.926 0.030 . 1 . . . . 73 LEU HD1 . 10111 1 925 . 1 1 73 73 LEU HD21 H 1 0.901 0.030 . 1 . . . . 73 LEU HD2 . 10111 1 926 . 1 1 73 73 LEU HD22 H 1 0.901 0.030 . 1 . . . . 73 LEU HD2 . 10111 1 927 . 1 1 73 73 LEU HD23 H 1 0.901 0.030 . 1 . . . . 73 LEU HD2 . 10111 1 928 . 1 1 73 73 LEU C C 13 179.407 0.300 . 1 . . . . 73 LEU C . 10111 1 929 . 1 1 73 73 LEU CA C 13 57.805 0.300 . 1 . . . . 73 LEU CA . 10111 1 930 . 1 1 73 73 LEU CB C 13 42.084 0.300 . 1 . . . . 73 LEU CB . 10111 1 931 . 1 1 73 73 LEU CG C 13 26.802 0.300 . 1 . . . . 73 LEU CG . 10111 1 932 . 1 1 73 73 LEU CD1 C 13 25.188 0.300 . 2 . . . . 73 LEU CD1 . 10111 1 933 . 1 1 73 73 LEU CD2 C 13 23.264 0.300 . 2 . . . . 73 LEU CD2 . 10111 1 934 . 1 1 73 73 LEU N N 15 118.590 0.300 . 1 . . . . 73 LEU N . 10111 1 935 . 1 1 74 74 TRP H H 1 8.352 0.030 . 1 . . . . 74 TRP H . 10111 1 936 . 1 1 74 74 TRP HA H 1 4.263 0.030 . 1 . . . . 74 TRP HA . 10111 1 937 . 1 1 74 74 TRP HB2 H 1 3.541 0.030 . 2 . . . . 74 TRP HB2 . 10111 1 938 . 1 1 74 74 TRP HB3 H 1 3.251 0.030 . 2 . . . . 74 TRP HB3 . 10111 1 939 . 1 1 74 74 TRP HD1 H 1 7.171 0.030 . 1 . . . . 74 TRP HD1 . 10111 1 940 . 1 1 74 74 TRP HE1 H 1 9.858 0.030 . 1 . . . . 74 TRP HE1 . 10111 1 941 . 1 1 74 74 TRP HE3 H 1 7.432 0.030 . 1 . . . . 74 TRP HE3 . 10111 1 942 . 1 1 74 74 TRP HZ2 H 1 7.259 0.030 . 1 . . . . 74 TRP HZ2 . 10111 1 943 . 1 1 74 74 TRP HH2 H 1 6.843 0.030 . 1 . . . . 74 TRP HH2 . 10111 1 944 . 1 1 74 74 TRP C C 13 179.262 0.300 . 1 . . . . 74 TRP C . 10111 1 945 . 1 1 74 74 TRP CA C 13 61.269 0.300 . 1 . . . . 74 TRP CA . 10111 1 946 . 1 1 74 74 TRP CB C 13 28.116 0.300 . 1 . . . . 74 TRP CB . 10111 1 947 . 1 1 74 74 TRP CD1 C 13 126.662 0.300 . 1 . . . . 74 TRP CD1 . 10111 1 948 . 1 1 74 74 TRP CE3 C 13 120.289 0.300 . 1 . . . . 74 TRP CE3 . 10111 1 949 . 1 1 74 74 TRP CZ2 C 13 114.631 0.300 . 1 . . . . 74 TRP CZ2 . 10111 1 950 . 1 1 74 74 TRP CZ3 C 13 121.485 0.300 . 1 . . . . 74 TRP CZ3 . 10111 1 951 . 1 1 74 74 TRP CH2 C 13 124.367 0.300 . 1 . . . . 74 TRP CH2 . 10111 1 952 . 1 1 74 74 TRP N N 15 122.251 0.300 . 1 . . . . 74 TRP N . 10111 1 953 . 1 1 74 74 TRP NE1 N 15 129.993 0.300 . 1 . . . . 74 TRP NE1 . 10111 1 954 . 1 1 75 75 VAL H H 1 8.850 0.030 . 1 . . . . 75 VAL H . 10111 1 955 . 1 1 75 75 VAL HA H 1 2.973 0.030 . 1 . . . . 75 VAL HA . 10111 1 956 . 1 1 75 75 VAL HB H 1 2.121 0.030 . 1 . . . . 75 VAL HB . 10111 1 957 . 1 1 75 75 VAL HG11 H 1 1.022 0.030 . 1 . . . . 75 VAL HG1 . 10111 1 958 . 1 1 75 75 VAL HG12 H 1 1.022 0.030 . 1 . . . . 75 VAL HG1 . 10111 1 959 . 1 1 75 75 VAL HG13 H 1 1.022 0.030 . 1 . . . . 75 VAL HG1 . 10111 1 960 . 1 1 75 75 VAL HG21 H 1 0.871 0.030 . 1 . . . . 75 VAL HG2 . 10111 1 961 . 1 1 75 75 VAL HG22 H 1 0.871 0.030 . 1 . . . . 75 VAL HG2 . 10111 1 962 . 1 1 75 75 VAL HG23 H 1 0.871 0.030 . 1 . . . . 75 VAL HG2 . 10111 1 963 . 1 1 75 75 VAL C C 13 178.836 0.300 . 1 . . . . 75 VAL C . 10111 1 964 . 1 1 75 75 VAL CA C 13 66.138 0.300 . 1 . . . . 75 VAL CA . 10111 1 965 . 1 1 75 75 VAL CB C 13 31.811 0.300 . 1 . . . . 75 VAL CB . 10111 1 966 . 1 1 75 75 VAL CG1 C 13 23.295 0.300 . 2 . . . . 75 VAL CG1 . 10111 1 967 . 1 1 75 75 VAL CG2 C 13 21.595 0.300 . 2 . . . . 75 VAL CG2 . 10111 1 968 . 1 1 75 75 VAL N N 15 120.455 0.300 . 1 . . . . 75 VAL N . 10111 1 969 . 1 1 76 76 LYS H H 1 7.655 0.030 . 1 . . . . 76 LYS H . 10111 1 970 . 1 1 76 76 LYS HA H 1 3.953 0.030 . 1 . . . . 76 LYS HA . 10111 1 971 . 1 1 76 76 LYS HB2 H 1 1.885 0.030 . 1 . . . . 76 LYS HB2 . 10111 1 972 . 1 1 76 76 LYS HB3 H 1 1.885 0.030 . 1 . . . . 76 LYS HB3 . 10111 1 973 . 1 1 76 76 LYS HG2 H 1 1.608 0.030 . 2 . . . . 76 LYS HG2 . 10111 1 974 . 1 1 76 76 LYS HG3 H 1 1.452 0.030 . 2 . . . . 76 LYS HG3 . 10111 1 975 . 1 1 76 76 LYS HD2 H 1 1.643 0.030 . 1 . . . . 76 LYS HD2 . 10111 1 976 . 1 1 76 76 LYS HD3 H 1 1.643 0.030 . 1 . . . . 76 LYS HD3 . 10111 1 977 . 1 1 76 76 LYS HE2 H 1 2.980 0.030 . 1 . . . . 76 LYS HE2 . 10111 1 978 . 1 1 76 76 LYS HE3 H 1 2.980 0.030 . 1 . . . . 76 LYS HE3 . 10111 1 979 . 1 1 76 76 LYS C C 13 177.121 0.300 . 1 . . . . 76 LYS C . 10111 1 980 . 1 1 76 76 LYS CA C 13 58.825 0.300 . 1 . . . . 76 LYS CA . 10111 1 981 . 1 1 76 76 LYS CB C 13 32.662 0.300 . 1 . . . . 76 LYS CB . 10111 1 982 . 1 1 76 76 LYS CG C 13 25.901 0.300 . 1 . . . . 76 LYS CG . 10111 1 983 . 1 1 76 76 LYS CD C 13 29.421 0.300 . 1 . . . . 76 LYS CD . 10111 1 984 . 1 1 76 76 LYS CE C 13 42.161 0.300 . 1 . . . . 76 LYS CE . 10111 1 985 . 1 1 76 76 LYS N N 15 118.038 0.300 . 1 . . . . 76 LYS N . 10111 1 986 . 1 1 77 77 SER H H 1 7.552 0.030 . 1 . . . . 77 SER H . 10111 1 987 . 1 1 77 77 SER HA H 1 4.352 0.030 . 1 . . . . 77 SER HA . 10111 1 988 . 1 1 77 77 SER HB2 H 1 3.945 0.030 . 1 . . . . 77 SER HB2 . 10111 1 989 . 1 1 77 77 SER HB3 H 1 3.945 0.030 . 1 . . . . 77 SER HB3 . 10111 1 990 . 1 1 77 77 SER C C 13 174.054 0.300 . 1 . . . . 77 SER C . 10111 1 991 . 1 1 77 77 SER CA C 13 59.194 0.300 . 1 . . . . 77 SER CA . 10111 1 992 . 1 1 77 77 SER CB C 13 64.019 0.300 . 1 . . . . 77 SER CB . 10111 1 993 . 1 1 77 77 SER N N 15 114.250 0.300 . 1 . . . . 77 SER N . 10111 1 994 . 1 1 78 78 LEU H H 1 6.960 0.030 . 1 . . . . 78 LEU H . 10111 1 995 . 1 1 78 78 LEU HA H 1 4.215 0.030 . 1 . . . . 78 LEU HA . 10111 1 996 . 1 1 78 78 LEU HB2 H 1 1.587 0.030 . 2 . . . . 78 LEU HB2 . 10111 1 997 . 1 1 78 78 LEU HB3 H 1 1.287 0.030 . 2 . . . . 78 LEU HB3 . 10111 1 998 . 1 1 78 78 LEU HG H 1 1.275 0.030 . 1 . . . . 78 LEU HG . 10111 1 999 . 1 1 78 78 LEU HD11 H 1 0.231 0.030 . 1 . . . . 78 LEU HD1 . 10111 1 1000 . 1 1 78 78 LEU HD12 H 1 0.231 0.030 . 1 . . . . 78 LEU HD1 . 10111 1 1001 . 1 1 78 78 LEU HD13 H 1 0.231 0.030 . 1 . . . . 78 LEU HD1 . 10111 1 1002 . 1 1 78 78 LEU HD21 H 1 0.087 0.030 . 1 . . . . 78 LEU HD2 . 10111 1 1003 . 1 1 78 78 LEU HD22 H 1 0.087 0.030 . 1 . . . . 78 LEU HD2 . 10111 1 1004 . 1 1 78 78 LEU HD23 H 1 0.087 0.030 . 1 . . . . 78 LEU HD2 . 10111 1 1005 . 1 1 78 78 LEU C C 13 177.632 0.300 . 1 . . . . 78 LEU C . 10111 1 1006 . 1 1 78 78 LEU CA C 13 54.412 0.300 . 1 . . . . 78 LEU CA . 10111 1 1007 . 1 1 78 78 LEU CB C 13 43.132 0.300 . 1 . . . . 78 LEU CB . 10111 1 1008 . 1 1 78 78 LEU CG C 13 25.022 0.300 . 1 . . . . 78 LEU CG . 10111 1 1009 . 1 1 78 78 LEU CD1 C 13 20.925 0.300 . 2 . . . . 78 LEU CD1 . 10111 1 1010 . 1 1 78 78 LEU CD2 C 13 24.965 0.300 . 2 . . . . 78 LEU CD2 . 10111 1 1011 . 1 1 78 78 LEU N N 15 122.264 0.300 . 1 . . . . 78 LEU N . 10111 1 1012 . 1 1 79 79 SER H H 1 9.092 0.030 . 1 . . . . 79 SER H . 10111 1 1013 . 1 1 79 79 SER HA H 1 4.670 0.030 . 1 . . . . 79 SER HA . 10111 1 1014 . 1 1 79 79 SER HB2 H 1 4.288 0.030 . 2 . . . . 79 SER HB2 . 10111 1 1015 . 1 1 79 79 SER HB3 H 1 4.091 0.030 . 2 . . . . 79 SER HB3 . 10111 1 1016 . 1 1 79 79 SER C C 13 172.889 0.300 . 1 . . . . 79 SER C . 10111 1 1017 . 1 1 79 79 SER CA C 13 56.713 0.300 . 1 . . . . 79 SER CA . 10111 1 1018 . 1 1 79 79 SER CB C 13 62.527 0.300 . 1 . . . . 79 SER CB . 10111 1 1019 . 1 1 79 79 SER N N 15 118.620 0.300 . 1 . . . . 79 SER N . 10111 1 1020 . 1 1 80 80 PRO HA H 1 4.148 0.030 . 1 . . . . 80 PRO HA . 10111 1 1021 . 1 1 80 80 PRO HB2 H 1 2.403 0.030 . 2 . . . . 80 PRO HB2 . 10111 1 1022 . 1 1 80 80 PRO HB3 H 1 1.967 0.030 . 2 . . . . 80 PRO HB3 . 10111 1 1023 . 1 1 80 80 PRO HG2 H 1 2.249 0.030 . 2 . . . . 80 PRO HG2 . 10111 1 1024 . 1 1 80 80 PRO HG3 H 1 2.013 0.030 . 2 . . . . 80 PRO HG3 . 10111 1 1025 . 1 1 80 80 PRO HD2 H 1 3.940 0.030 . 2 . . . . 80 PRO HD2 . 10111 1 1026 . 1 1 80 80 PRO HD3 H 1 3.891 0.030 . 2 . . . . 80 PRO HD3 . 10111 1 1027 . 1 1 80 80 PRO C C 13 179.729 0.300 . 1 . . . . 80 PRO C . 10111 1 1028 . 1 1 80 80 PRO CA C 13 66.199 0.300 . 1 . . . . 80 PRO CA . 10111 1 1029 . 1 1 80 80 PRO CB C 13 31.746 0.300 . 1 . . . . 80 PRO CB . 10111 1 1030 . 1 1 80 80 PRO CG C 13 28.153 0.300 . 1 . . . . 80 PRO CG . 10111 1 1031 . 1 1 80 80 PRO CD C 13 49.952 0.300 . 1 . . . . 80 PRO CD . 10111 1 1032 . 1 1 81 81 GLN H H 1 8.701 0.030 . 1 . . . . 81 GLN H . 10111 1 1033 . 1 1 81 81 GLN HA H 1 4.171 0.030 . 1 . . . . 81 GLN HA . 10111 1 1034 . 1 1 81 81 GLN HB2 H 1 2.091 0.030 . 2 . . . . 81 GLN HB2 . 10111 1 1035 . 1 1 81 81 GLN HB3 H 1 2.042 0.030 . 2 . . . . 81 GLN HB3 . 10111 1 1036 . 1 1 81 81 GLN HG2 H 1 2.513 0.030 . 2 . . . . 81 GLN HG2 . 10111 1 1037 . 1 1 81 81 GLN HG3 H 1 2.444 0.030 . 2 . . . . 81 GLN HG3 . 10111 1 1038 . 1 1 81 81 GLN HE21 H 1 7.616 0.030 . 2 . . . . 81 GLN HE21 . 10111 1 1039 . 1 1 81 81 GLN HE22 H 1 6.913 0.030 . 2 . . . . 81 GLN HE22 . 10111 1 1040 . 1 1 81 81 GLN C C 13 178.484 0.300 . 1 . . . . 81 GLN C . 10111 1 1041 . 1 1 81 81 GLN CA C 13 59.106 0.300 . 1 . . . . 81 GLN CA . 10111 1 1042 . 1 1 81 81 GLN CB C 13 28.048 0.300 . 1 . . . . 81 GLN CB . 10111 1 1043 . 1 1 81 81 GLN CG C 13 34.013 0.300 . 1 . . . . 81 GLN CG . 10111 1 1044 . 1 1 81 81 GLN N N 15 117.131 0.300 . 1 . . . . 81 GLN N . 10111 1 1045 . 1 1 81 81 GLN NE2 N 15 112.323 0.300 . 1 . . . . 81 GLN NE2 . 10111 1 1046 . 1 1 82 82 ASP H H 1 7.856 0.030 . 1 . . . . 82 ASP H . 10111 1 1047 . 1 1 82 82 ASP HA H 1 4.624 0.030 . 1 . . . . 82 ASP HA . 10111 1 1048 . 1 1 82 82 ASP HB2 H 1 2.792 0.030 . 2 . . . . 82 ASP HB2 . 10111 1 1049 . 1 1 82 82 ASP HB3 H 1 2.611 0.030 . 2 . . . . 82 ASP HB3 . 10111 1 1050 . 1 1 82 82 ASP C C 13 178.703 0.300 . 1 . . . . 82 ASP C . 10111 1 1051 . 1 1 82 82 ASP CA C 13 56.768 0.300 . 1 . . . . 82 ASP CA . 10111 1 1052 . 1 1 82 82 ASP CB C 13 40.491 0.300 . 1 . . . . 82 ASP CB . 10111 1 1053 . 1 1 82 82 ASP N N 15 122.577 0.300 . 1 . . . . 82 ASP N . 10111 1 1054 . 1 1 83 83 ARG H H 1 8.902 0.030 . 1 . . . . 83 ARG H . 10111 1 1055 . 1 1 83 83 ARG HA H 1 3.967 0.030 . 1 . . . . 83 ARG HA . 10111 1 1056 . 1 1 83 83 ARG HB2 H 1 1.885 0.030 . 2 . . . . 83 ARG HB2 . 10111 1 1057 . 1 1 83 83 ARG HB3 H 1 1.811 0.030 . 2 . . . . 83 ARG HB3 . 10111 1 1058 . 1 1 83 83 ARG HG2 H 1 1.633 0.030 . 1 . . . . 83 ARG HG2 . 10111 1 1059 . 1 1 83 83 ARG HG3 H 1 1.633 0.030 . 1 . . . . 83 ARG HG3 . 10111 1 1060 . 1 1 83 83 ARG HD2 H 1 3.205 0.030 . 1 . . . . 83 ARG HD2 . 10111 1 1061 . 1 1 83 83 ARG HD3 H 1 3.205 0.030 . 1 . . . . 83 ARG HD3 . 10111 1 1062 . 1 1 83 83 ARG C C 13 177.997 0.300 . 1 . . . . 83 ARG C . 10111 1 1063 . 1 1 83 83 ARG CA C 13 59.528 0.300 . 1 . . . . 83 ARG CA . 10111 1 1064 . 1 1 83 83 ARG CB C 13 29.826 0.300 . 1 . . . . 83 ARG CB . 10111 1 1065 . 1 1 83 83 ARG CG C 13 27.988 0.300 . 1 . . . . 83 ARG CG . 10111 1 1066 . 1 1 83 83 ARG CD C 13 43.479 0.300 . 1 . . . . 83 ARG CD . 10111 1 1067 . 1 1 83 83 ARG N N 15 122.970 0.300 . 1 . . . . 83 ARG N . 10111 1 1068 . 1 1 84 84 ALA H H 1 7.929 0.030 . 1 . . . . 84 ALA H . 10111 1 1069 . 1 1 84 84 ALA HA H 1 4.188 0.030 . 1 . . . . 84 ALA HA . 10111 1 1070 . 1 1 84 84 ALA HB1 H 1 1.532 0.030 . 1 . . . . 84 ALA HB . 10111 1 1071 . 1 1 84 84 ALA HB2 H 1 1.532 0.030 . 1 . . . . 84 ALA HB . 10111 1 1072 . 1 1 84 84 ALA HB3 H 1 1.532 0.030 . 1 . . . . 84 ALA HB . 10111 1 1073 . 1 1 84 84 ALA C C 13 180.162 0.300 . 1 . . . . 84 ALA C . 10111 1 1074 . 1 1 84 84 ALA CA C 13 54.959 0.300 . 1 . . . . 84 ALA CA . 10111 1 1075 . 1 1 84 84 ALA CB C 13 17.914 0.300 . 1 . . . . 84 ALA CB . 10111 1 1076 . 1 1 84 84 ALA N N 15 121.576 0.300 . 1 . . . . 84 ALA N . 10111 1 1077 . 1 1 85 85 ALA H H 1 7.770 0.030 . 1 . . . . 85 ALA H . 10111 1 1078 . 1 1 85 85 ALA HA H 1 4.269 0.030 . 1 . . . . 85 ALA HA . 10111 1 1079 . 1 1 85 85 ALA HB1 H 1 1.568 0.030 . 1 . . . . 85 ALA HB . 10111 1 1080 . 1 1 85 85 ALA HB2 H 1 1.568 0.030 . 1 . . . . 85 ALA HB . 10111 1 1081 . 1 1 85 85 ALA HB3 H 1 1.568 0.030 . 1 . . . . 85 ALA HB . 10111 1 1082 . 1 1 85 85 ALA C C 13 179.931 0.300 . 1 . . . . 85 ALA C . 10111 1 1083 . 1 1 85 85 ALA CA C 13 54.628 0.300 . 1 . . . . 85 ALA CA . 10111 1 1084 . 1 1 85 85 ALA CB C 13 18.436 0.300 . 1 . . . . 85 ALA CB . 10111 1 1085 . 1 1 85 85 ALA N N 15 120.750 0.300 . 1 . . . . 85 ALA N . 10111 1 1086 . 1 1 86 86 TYR H H 1 8.235 0.030 . 1 . . . . 86 TYR H . 10111 1 1087 . 1 1 86 86 TYR HA H 1 4.506 0.030 . 1 . . . . 86 TYR HA . 10111 1 1088 . 1 1 86 86 TYR HB2 H 1 3.259 0.030 . 2 . . . . 86 TYR HB2 . 10111 1 1089 . 1 1 86 86 TYR HB3 H 1 3.182 0.030 . 2 . . . . 86 TYR HB3 . 10111 1 1090 . 1 1 86 86 TYR HD1 H 1 7.188 0.030 . 1 . . . . 86 TYR HD1 . 10111 1 1091 . 1 1 86 86 TYR HD2 H 1 7.188 0.030 . 1 . . . . 86 TYR HD2 . 10111 1 1092 . 1 1 86 86 TYR HE1 H 1 6.908 0.030 . 1 . . . . 86 TYR HE1 . 10111 1 1093 . 1 1 86 86 TYR HE2 H 1 6.908 0.030 . 1 . . . . 86 TYR HE2 . 10111 1 1094 . 1 1 86 86 TYR C C 13 176.609 0.300 . 1 . . . . 86 TYR C . 10111 1 1095 . 1 1 86 86 TYR CA C 13 60.736 0.300 . 1 . . . . 86 TYR CA . 10111 1 1096 . 1 1 86 86 TYR CB C 13 38.325 0.300 . 1 . . . . 86 TYR CB . 10111 1 1097 . 1 1 86 86 TYR CD1 C 13 132.954 0.300 . 1 . . . . 86 TYR CD1 . 10111 1 1098 . 1 1 86 86 TYR CD2 C 13 132.954 0.300 . 1 . . . . 86 TYR CD2 . 10111 1 1099 . 1 1 86 86 TYR CE1 C 13 118.315 0.300 . 1 . . . . 86 TYR CE1 . 10111 1 1100 . 1 1 86 86 TYR CE2 C 13 118.315 0.300 . 1 . . . . 86 TYR CE2 . 10111 1 1101 . 1 1 86 86 TYR N N 15 120.955 0.300 . 1 . . . . 86 TYR N . 10111 1 1102 . 1 1 87 87 LYS H H 1 8.173 0.030 . 1 . . . . 87 LYS H . 10111 1 1103 . 1 1 87 87 LYS HA H 1 3.901 0.030 . 1 . . . . 87 LYS HA . 10111 1 1104 . 1 1 87 87 LYS HB2 H 1 1.918 0.030 . 1 . . . . 87 LYS HB2 . 10111 1 1105 . 1 1 87 87 LYS HB3 H 1 1.918 0.030 . 1 . . . . 87 LYS HB3 . 10111 1 1106 . 1 1 87 87 LYS HG2 H 1 1.665 0.030 . 2 . . . . 87 LYS HG2 . 10111 1 1107 . 1 1 87 87 LYS HG3 H 1 1.500 0.030 . 2 . . . . 87 LYS HG3 . 10111 1 1108 . 1 1 87 87 LYS HD2 H 1 2.182 0.030 . 2 . . . . 87 LYS HD2 . 10111 1 1109 . 1 1 87 87 LYS HD3 H 1 1.728 0.030 . 2 . . . . 87 LYS HD3 . 10111 1 1110 . 1 1 87 87 LYS HE2 H 1 3.145 0.030 . 1 . . . . 87 LYS HE2 . 10111 1 1111 . 1 1 87 87 LYS HE3 H 1 3.145 0.030 . 1 . . . . 87 LYS HE3 . 10111 1 1112 . 1 1 87 87 LYS C C 13 179.019 0.300 . 1 . . . . 87 LYS C . 10111 1 1113 . 1 1 87 87 LYS CA C 13 59.194 0.300 . 1 . . . . 87 LYS CA . 10111 1 1114 . 1 1 87 87 LYS CB C 13 32.292 0.300 . 1 . . . . 87 LYS CB . 10111 1 1115 . 1 1 87 87 LYS CG C 13 25.434 0.300 . 1 . . . . 87 LYS CG . 10111 1 1116 . 1 1 87 87 LYS CD C 13 29.307 0.300 . 1 . . . . 87 LYS CD . 10111 1 1117 . 1 1 87 87 LYS CE C 13 42.161 0.300 . 1 . . . . 87 LYS CE . 10111 1 1118 . 1 1 87 87 LYS N N 15 119.304 0.300 . 1 . . . . 87 LYS N . 10111 1 1119 . 1 1 88 88 GLU H H 1 8.030 0.030 . 1 . . . . 88 GLU H . 10111 1 1120 . 1 1 88 88 GLU HA H 1 4.103 0.030 . 1 . . . . 88 GLU HA . 10111 1 1121 . 1 1 88 88 GLU HB2 H 1 2.094 0.030 . 1 . . . . 88 GLU HB2 . 10111 1 1122 . 1 1 88 88 GLU HB3 H 1 2.094 0.030 . 1 . . . . 88 GLU HB3 . 10111 1 1123 . 1 1 88 88 GLU HG2 H 1 2.339 0.030 . 2 . . . . 88 GLU HG2 . 10111 1 1124 . 1 1 88 88 GLU HG3 H 1 2.267 0.030 . 2 . . . . 88 GLU HG3 . 10111 1 1125 . 1 1 88 88 GLU C C 13 177.815 0.300 . 1 . . . . 88 GLU C . 10111 1 1126 . 1 1 88 88 GLU CA C 13 58.714 0.300 . 1 . . . . 88 GLU CA . 10111 1 1127 . 1 1 88 88 GLU CB C 13 29.737 0.300 . 1 . . . . 88 GLU CB . 10111 1 1128 . 1 1 88 88 GLU CG C 13 36.176 0.300 . 1 . . . . 88 GLU CG . 10111 1 1129 . 1 1 88 88 GLU N N 15 119.718 0.300 . 1 . . . . 88 GLU N . 10111 1 1130 . 1 1 89 89 TYR H H 1 8.075 0.030 . 1 . . . . 89 TYR H . 10111 1 1131 . 1 1 89 89 TYR HA H 1 4.360 0.030 . 1 . . . . 89 TYR HA . 10111 1 1132 . 1 1 89 89 TYR HB2 H 1 3.213 0.030 . 1 . . . . 89 TYR HB2 . 10111 1 1133 . 1 1 89 89 TYR HB3 H 1 3.213 0.030 . 1 . . . . 89 TYR HB3 . 10111 1 1134 . 1 1 89 89 TYR HD1 H 1 7.110 0.030 . 1 . . . . 89 TYR HD1 . 10111 1 1135 . 1 1 89 89 TYR HD2 H 1 7.110 0.030 . 1 . . . . 89 TYR HD2 . 10111 1 1136 . 1 1 89 89 TYR HE1 H 1 6.860 0.030 . 1 . . . . 89 TYR HE1 . 10111 1 1137 . 1 1 89 89 TYR HE2 H 1 6.860 0.030 . 1 . . . . 89 TYR HE2 . 10111 1 1138 . 1 1 89 89 TYR C C 13 177.792 0.300 . 1 . . . . 89 TYR C . 10111 1 1139 . 1 1 89 89 TYR CA C 13 60.665 0.300 . 1 . . . . 89 TYR CA . 10111 1 1140 . 1 1 89 89 TYR CB C 13 38.313 0.300 . 1 . . . . 89 TYR CB . 10111 1 1141 . 1 1 89 89 TYR CD1 C 13 133.384 0.300 . 1 . . . . 89 TYR CD1 . 10111 1 1142 . 1 1 89 89 TYR CD2 C 13 133.384 0.300 . 1 . . . . 89 TYR CD2 . 10111 1 1143 . 1 1 89 89 TYR CE1 C 13 118.226 0.300 . 1 . . . . 89 TYR CE1 . 10111 1 1144 . 1 1 89 89 TYR CE2 C 13 118.226 0.300 . 1 . . . . 89 TYR CE2 . 10111 1 1145 . 1 1 89 89 TYR N N 15 121.227 0.300 . 1 . . . . 89 TYR N . 10111 1 1146 . 1 1 90 90 ILE H H 1 8.097 0.030 . 1 . . . . 90 ILE H . 10111 1 1147 . 1 1 90 90 ILE HA H 1 3.822 0.030 . 1 . . . . 90 ILE HA . 10111 1 1148 . 1 1 90 90 ILE HB H 1 1.860 0.030 . 1 . . . . 90 ILE HB . 10111 1 1149 . 1 1 90 90 ILE HG12 H 1 1.295 0.030 . 2 . . . . 90 ILE HG12 . 10111 1 1150 . 1 1 90 90 ILE HG13 H 1 1.225 0.030 . 2 . . . . 90 ILE HG13 . 10111 1 1151 . 1 1 90 90 ILE HG21 H 1 0.834 0.030 . 1 . . . . 90 ILE HG2 . 10111 1 1152 . 1 1 90 90 ILE HG22 H 1 0.834 0.030 . 1 . . . . 90 ILE HG2 . 10111 1 1153 . 1 1 90 90 ILE HG23 H 1 0.834 0.030 . 1 . . . . 90 ILE HG2 . 10111 1 1154 . 1 1 90 90 ILE HD11 H 1 0.805 0.030 . 1 . . . . 90 ILE HD1 . 10111 1 1155 . 1 1 90 90 ILE HD12 H 1 0.805 0.030 . 1 . . . . 90 ILE HD1 . 10111 1 1156 . 1 1 90 90 ILE HD13 H 1 0.805 0.030 . 1 . . . . 90 ILE HD1 . 10111 1 1157 . 1 1 90 90 ILE C C 13 177.759 0.300 . 1 . . . . 90 ILE C . 10111 1 1158 . 1 1 90 90 ILE CA C 13 62.227 0.300 . 1 . . . . 90 ILE CA . 10111 1 1159 . 1 1 90 90 ILE CB C 13 37.717 0.300 . 1 . . . . 90 ILE CB . 10111 1 1160 . 1 1 90 90 ILE CG1 C 13 27.080 0.300 . 1 . . . . 90 ILE CG1 . 10111 1 1161 . 1 1 90 90 ILE CG2 C 13 17.897 0.300 . 1 . . . . 90 ILE CG2 . 10111 1 1162 . 1 1 90 90 ILE CD1 C 13 12.498 0.300 . 1 . . . . 90 ILE CD1 . 10111 1 1163 . 1 1 90 90 ILE N N 15 117.582 0.300 . 1 . . . . 90 ILE N . 10111 1 1164 . 1 1 91 91 SER H H 1 7.872 0.030 . 1 . . . . 91 SER H . 10111 1 1165 . 1 1 91 91 SER HA H 1 4.297 0.030 . 1 . . . . 91 SER HA . 10111 1 1166 . 1 1 91 91 SER HB2 H 1 3.951 0.030 . 1 . . . . 91 SER HB2 . 10111 1 1167 . 1 1 91 91 SER HB3 H 1 3.951 0.030 . 1 . . . . 91 SER HB3 . 10111 1 1168 . 1 1 91 91 SER C C 13 175.320 0.300 . 1 . . . . 91 SER C . 10111 1 1169 . 1 1 91 91 SER CA C 13 59.986 0.300 . 1 . . . . 91 SER CA . 10111 1 1170 . 1 1 91 91 SER CB C 13 63.571 0.300 . 1 . . . . 91 SER CB . 10111 1 1171 . 1 1 91 91 SER N N 15 116.695 0.300 . 1 . . . . 91 SER N . 10111 1 1172 . 1 1 92 92 ASN H H 1 8.065 0.030 . 1 . . . . 92 ASN H . 10111 1 1173 . 1 1 92 92 ASN HA H 1 4.643 0.030 . 1 . . . . 92 ASN HA . 10111 1 1174 . 1 1 92 92 ASN HB2 H 1 2.835 0.030 . 1 . . . . 92 ASN HB2 . 10111 1 1175 . 1 1 92 92 ASN HB3 H 1 2.835 0.030 . 1 . . . . 92 ASN HB3 . 10111 1 1176 . 1 1 92 92 ASN HD21 H 1 7.623 0.030 . 2 . . . . 92 ASN HD21 . 10111 1 1177 . 1 1 92 92 ASN HD22 H 1 6.967 0.030 . 2 . . . . 92 ASN HD22 . 10111 1 1178 . 1 1 92 92 ASN C C 13 175.919 0.300 . 1 . . . . 92 ASN C . 10111 1 1179 . 1 1 92 92 ASN CA C 13 54.180 0.300 . 1 . . . . 92 ASN CA . 10111 1 1180 . 1 1 92 92 ASN CB C 13 38.697 0.300 . 1 . . . . 92 ASN CB . 10111 1 1181 . 1 1 92 92 ASN N N 15 119.630 0.300 . 1 . . . . 92 ASN N . 10111 1 1182 . 1 1 92 92 ASN ND2 N 15 113.062 0.300 . 1 . . . . 92 ASN ND2 . 10111 1 1183 . 1 1 93 93 LYS H H 1 8.016 0.030 . 1 . . . . 93 LYS H . 10111 1 1184 . 1 1 93 93 LYS HA H 1 4.192 0.030 . 1 . . . . 93 LYS HA . 10111 1 1185 . 1 1 93 93 LYS HB2 H 1 1.806 0.030 . 2 . . . . 93 LYS HB2 . 10111 1 1186 . 1 1 93 93 LYS HB3 H 1 1.713 0.030 . 2 . . . . 93 LYS HB3 . 10111 1 1187 . 1 1 93 93 LYS HG2 H 1 1.368 0.030 . 1 . . . . 93 LYS HG2 . 10111 1 1188 . 1 1 93 93 LYS HG3 H 1 1.368 0.030 . 1 . . . . 93 LYS HG3 . 10111 1 1189 . 1 1 93 93 LYS HD2 H 1 1.607 0.030 . 1 . . . . 93 LYS HD2 . 10111 1 1190 . 1 1 93 93 LYS HD3 H 1 1.607 0.030 . 1 . . . . 93 LYS HD3 . 10111 1 1191 . 1 1 93 93 LYS HE2 H 1 2.972 0.030 . 2 . . . . 93 LYS HE2 . 10111 1 1192 . 1 1 93 93 LYS C C 13 177.169 0.300 . 1 . . . . 93 LYS C . 10111 1 1193 . 1 1 93 93 LYS CA C 13 56.992 0.300 . 1 . . . . 93 LYS CA . 10111 1 1194 . 1 1 93 93 LYS CB C 13 32.497 0.300 . 1 . . . . 93 LYS CB . 10111 1 1195 . 1 1 93 93 LYS CG C 13 24.610 0.300 . 1 . . . . 93 LYS CG . 10111 1 1196 . 1 1 93 93 LYS CD C 13 29.029 0.300 . 1 . . . . 93 LYS CD . 10111 1 1197 . 1 1 93 93 LYS CE C 13 42.243 0.300 . 1 . . . . 93 LYS CE . 10111 1 1198 . 1 1 93 93 LYS N N 15 121.047 0.300 . 1 . . . . 93 LYS N . 10111 1 1199 . 1 1 94 94 ARG H H 1 8.090 0.030 . 1 . . . . 94 ARG H . 10111 1 1200 . 1 1 94 94 ARG HA H 1 4.283 0.030 . 1 . . . . 94 ARG HA . 10111 1 1201 . 1 1 94 94 ARG HB2 H 1 1.894 0.030 . 2 . . . . 94 ARG HB2 . 10111 1 1202 . 1 1 94 94 ARG HB3 H 1 1.792 0.030 . 2 . . . . 94 ARG HB3 . 10111 1 1203 . 1 1 94 94 ARG HG2 H 1 1.689 0.030 . 2 . . . . 94 ARG HG2 . 10111 1 1204 . 1 1 94 94 ARG HG3 H 1 1.632 0.030 . 2 . . . . 94 ARG HG3 . 10111 1 1205 . 1 1 94 94 ARG HD2 H 1 3.219 0.030 . 2 . . . . 94 ARG HD2 . 10111 1 1206 . 1 1 94 94 ARG HD3 H 1 3.180 0.030 . 2 . . . . 94 ARG HD3 . 10111 1 1207 . 1 1 94 94 ARG C C 13 176.646 0.300 . 1 . . . . 94 ARG C . 10111 1 1208 . 1 1 94 94 ARG CA C 13 56.574 0.300 . 1 . . . . 94 ARG CA . 10111 1 1209 . 1 1 94 94 ARG CB C 13 30.644 0.300 . 1 . . . . 94 ARG CB . 10111 1 1210 . 1 1 94 94 ARG CG C 13 27.247 0.300 . 1 . . . . 94 ARG CG . 10111 1 1211 . 1 1 94 94 ARG CD C 13 43.479 0.300 . 1 . . . . 94 ARG CD . 10111 1 1212 . 1 1 94 94 ARG N N 15 120.824 0.300 . 1 . . . . 94 ARG N . 10111 1 1213 . 1 1 95 95 LYS H H 1 8.186 0.030 . 1 . . . . 95 LYS H . 10111 1 1214 . 1 1 95 95 LYS HA H 1 4.352 0.030 . 1 . . . . 95 LYS HA . 10111 1 1215 . 1 1 95 95 LYS HB2 H 1 1.893 0.030 . 2 . . . . 95 LYS HB2 . 10111 1 1216 . 1 1 95 95 LYS HB3 H 1 1.812 0.030 . 2 . . . . 95 LYS HB3 . 10111 1 1217 . 1 1 95 95 LYS HG2 H 1 1.511 0.030 . 2 . . . . 95 LYS HG2 . 10111 1 1218 . 1 1 95 95 LYS HG3 H 1 1.450 0.030 . 2 . . . . 95 LYS HG3 . 10111 1 1219 . 1 1 95 95 LYS HD2 H 1 1.706 0.030 . 1 . . . . 95 LYS HD2 . 10111 1 1220 . 1 1 95 95 LYS HD3 H 1 1.706 0.030 . 1 . . . . 95 LYS HD3 . 10111 1 1221 . 1 1 95 95 LYS C C 13 176.682 0.300 . 1 . . . . 95 LYS C . 10111 1 1222 . 1 1 95 95 LYS CA C 13 56.715 0.300 . 1 . . . . 95 LYS CA . 10111 1 1223 . 1 1 95 95 LYS CB C 13 32.976 0.300 . 1 . . . . 95 LYS CB . 10111 1 1224 . 1 1 95 95 LYS CG C 13 24.902 0.300 . 1 . . . . 95 LYS CG . 10111 1 1225 . 1 1 95 95 LYS CD C 13 29.142 0.300 . 1 . . . . 95 LYS CD . 10111 1 1226 . 1 1 95 95 LYS CE C 13 42.243 0.300 . 1 . . . . 95 LYS CE . 10111 1 1227 . 1 1 95 95 LYS N N 15 122.037 0.300 . 1 . . . . 95 LYS N . 10111 1 1228 . 1 1 96 96 SER H H 1 8.230 0.030 . 1 . . . . 96 SER H . 10111 1 1229 . 1 1 96 96 SER HA H 1 4.518 0.030 . 1 . . . . 96 SER HA . 10111 1 1230 . 1 1 96 96 SER HB2 H 1 3.965 0.030 . 2 . . . . 96 SER HB2 . 10111 1 1231 . 1 1 96 96 SER HB3 H 1 3.894 0.030 . 2 . . . . 96 SER HB3 . 10111 1 1232 . 1 1 96 96 SER C C 13 174.492 0.300 . 1 . . . . 96 SER C . 10111 1 1233 . 1 1 96 96 SER CA C 13 58.385 0.300 . 1 . . . . 96 SER CA . 10111 1 1234 . 1 1 96 96 SER CB C 13 64.096 0.300 . 1 . . . . 96 SER CB . 10111 1 1235 . 1 1 96 96 SER N N 15 116.461 0.300 . 1 . . . . 96 SER N . 10111 1 1236 . 1 1 97 97 GLY H H 1 8.200 0.030 . 1 . . . . 97 GLY H . 10111 1 1237 . 1 1 97 97 GLY HA2 H 1 4.149 0.030 . 1 . . . . 97 GLY HA2 . 10111 1 1238 . 1 1 97 97 GLY HA3 H 1 4.149 0.030 . 1 . . . . 97 GLY HA3 . 10111 1 1239 . 1 1 97 97 GLY C C 13 171.844 0.300 . 1 . . . . 97 GLY C . 10111 1 1240 . 1 1 97 97 GLY CA C 13 44.739 0.300 . 1 . . . . 97 GLY CA . 10111 1 1241 . 1 1 97 97 GLY N N 15 110.559 0.300 . 1 . . . . 97 GLY N . 10111 1 1242 . 1 1 98 98 PRO HA H 1 4.500 0.030 . 1 . . . . 98 PRO HA . 10111 1 1243 . 1 1 98 98 PRO HB2 H 1 2.321 0.030 . 2 . . . . 98 PRO HB2 . 10111 1 1244 . 1 1 98 98 PRO HB3 H 1 2.017 0.030 . 2 . . . . 98 PRO HB3 . 10111 1 1245 . 1 1 98 98 PRO HG2 H 1 2.039 0.030 . 1 . . . . 98 PRO HG2 . 10111 1 1246 . 1 1 98 98 PRO HG3 H 1 2.039 0.030 . 1 . . . . 98 PRO HG3 . 10111 1 1247 . 1 1 98 98 PRO HD2 H 1 3.667 0.030 . 2 . . . . 98 PRO HD2 . 10111 1 1248 . 1 1 98 98 PRO HD3 H 1 3.636 0.030 . 2 . . . . 98 PRO HD3 . 10111 1 1249 . 1 1 98 98 PRO C C 13 177.439 0.300 . 1 . . . . 98 PRO C . 10111 1 1250 . 1 1 98 98 PRO CA C 13 63.345 0.300 . 1 . . . . 98 PRO CA . 10111 1 1251 . 1 1 98 98 PRO CB C 13 32.226 0.300 . 1 . . . . 98 PRO CB . 10111 1 1252 . 1 1 98 98 PRO CG C 13 27.204 0.300 . 1 . . . . 98 PRO CG . 10111 1 1253 . 1 1 98 98 PRO CD C 13 49.823 0.300 . 1 . . . . 98 PRO CD . 10111 1 1254 . 1 1 99 99 SER H H 1 8.533 0.030 . 1 . . . . 99 SER H . 10111 1 1255 . 1 1 99 99 SER HA H 1 4.540 0.030 . 1 . . . . 99 SER HA . 10111 1 1256 . 1 1 99 99 SER HB2 H 1 3.926 0.030 . 2 . . . . 99 SER HB2 . 10111 1 1257 . 1 1 99 99 SER HB3 H 1 3.872 0.030 . 2 . . . . 99 SER HB3 . 10111 1 1258 . 1 1 99 99 SER C C 13 174.566 0.300 . 1 . . . . 99 SER C . 10111 1 1259 . 1 1 99 99 SER CA C 13 58.438 0.300 . 1 . . . . 99 SER CA . 10111 1 1260 . 1 1 99 99 SER CB C 13 63.808 0.300 . 1 . . . . 99 SER CB . 10111 1 1261 . 1 1 99 99 SER N N 15 116.309 0.300 . 1 . . . . 99 SER N . 10111 1 1262 . 1 1 100 100 SER H H 1 8.441 0.030 . 1 . . . . 100 SER H . 10111 1 1263 . 1 1 100 100 SER HA H 1 4.569 0.030 . 1 . . . . 100 SER HA . 10111 1 1264 . 1 1 100 100 SER C C 13 173.959 0.300 . 1 . . . . 100 SER C . 10111 1 1265 . 1 1 100 100 SER CA C 13 58.370 0.300 . 1 . . . . 100 SER CA . 10111 1 1266 . 1 1 100 100 SER CB C 13 63.831 0.300 . 1 . . . . 100 SER CB . 10111 1 1267 . 1 1 100 100 SER N N 15 117.897 0.300 . 1 . . . . 100 SER N . 10111 1 1268 . 1 1 101 101 GLY H H 1 8.048 0.030 . 1 . . . . 101 GLY H . 10111 1 1269 . 1 1 101 101 GLY HA2 H 1 3.763 0.030 . 1 . . . . 101 GLY HA2 . 10111 1 1270 . 1 1 101 101 GLY HA3 H 1 3.763 0.030 . 1 . . . . 101 GLY HA3 . 10111 1 1271 . 1 1 101 101 GLY C C 13 178.990 0.300 . 1 . . . . 101 GLY C . 10111 1 1272 . 1 1 101 101 GLY CA C 13 46.165 0.300 . 1 . . . . 101 GLY CA . 10111 1 1273 . 1 1 101 101 GLY N N 15 116.807 0.300 . 1 . . . . 101 GLY N . 10111 1 stop_ save_