data_10100 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10100 _Entry.Title ; Solution Structure of The Third PDZ Domain of Human Atrophin-1 Interacting Protein 1 (KIAA0705 Protein) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-13 _Entry.Accession_date 2007-02-13 _Entry.Last_release_date 2008-08-15 _Entry.Original_release_date 2008-08-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 K. Miyamoto . . . 10100 2 T. Kigawa . . . 10100 3 S. Koshiba . . . 10100 4 M. Inoue . . . 10100 5 S. Yokoyama . . . 10100 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10100 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10100 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 401 10100 '15N chemical shifts' 91 10100 '1H chemical shifts' 660 10100 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-15 2007-02-13 original author . 10100 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UEP 'BMRB Entry Tracking System' 10100 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10100 _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 Third PDZ Domain of Human Atrophin-1 Interacting Protein 1 (KIAA0705 Protein) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Miyamoto . . . 10100 1 2 T. Kigawa . . . 10100 1 3 S. Koshiba . . . 10100 1 4 M. Inoue . . . 10100 1 5 S. Yokoyama . . . 10100 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10100 _Assembly.ID 1 _Assembly.Name 'Membrane Associated Guanylate Kinase Inverted-2 (MAGI-2)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10100 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Membrane Associated Guanylate Kinase Inverted-2 (MAGI-2)' 1 $entity_1 . . yes native no no . . . 10100 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 1UEP . . . . . . 10100 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10100 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ Domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGYKELDVHLRRMES GFGFRILGGDEPGQPILIGA VIAMGSADRDGRLHPGDELV YVDGIPVAGKTHRYVIDLMH HAARNGQVNLTVRRKVLSGP SSG ; _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 103 _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 1UEP . "Solution Structure Of The Third Pdz Domain Of Human Atrophin-1 Interacting Protein 1 (Kiaa0705 Protein)" . . . . . 100.00 103 100.00 100.00 2.55e-65 . . . . 10100 1 2 no GB EGW09165 . "Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2 [Cricetulus griseus]" . . . . . 89.32 483 98.91 98.91 3.10e-55 . . . . 10100 1 3 no GB ELK01009 . "Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2 [Pteropus alecto]" . . . . . 54.37 420 98.21 98.21 2.23e-28 . . . . 10100 1 4 no GB EMP32129 . "Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2 [Chelonia mydas]" . . . . . 88.35 469 98.90 100.00 9.71e-54 . . . . 10100 1 5 no GB EPY80876 . "membrane associated guanylate kinase, WW and PDZ domain containing 2 [Camelus ferus]" . . . . . 89.32 494 98.91 98.91 3.63e-55 . . . . 10100 1 6 no GB ERE90474 . "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2 [Cricetulus griseus]" . . . . . 89.32 484 98.91 98.91 2.96e-55 . . . . 10100 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ Domain' . 10100 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 . 10100 1 2 . SER . 10100 1 3 . SER . 10100 1 4 . GLY . 10100 1 5 . SER . 10100 1 6 . SER . 10100 1 7 . GLY . 10100 1 8 . TYR . 10100 1 9 . LYS . 10100 1 10 . GLU . 10100 1 11 . LEU . 10100 1 12 . ASP . 10100 1 13 . VAL . 10100 1 14 . HIS . 10100 1 15 . LEU . 10100 1 16 . ARG . 10100 1 17 . ARG . 10100 1 18 . MET . 10100 1 19 . GLU . 10100 1 20 . SER . 10100 1 21 . GLY . 10100 1 22 . PHE . 10100 1 23 . GLY . 10100 1 24 . PHE . 10100 1 25 . ARG . 10100 1 26 . ILE . 10100 1 27 . LEU . 10100 1 28 . GLY . 10100 1 29 . GLY . 10100 1 30 . ASP . 10100 1 31 . GLU . 10100 1 32 . PRO . 10100 1 33 . GLY . 10100 1 34 . GLN . 10100 1 35 . PRO . 10100 1 36 . ILE . 10100 1 37 . LEU . 10100 1 38 . ILE . 10100 1 39 . GLY . 10100 1 40 . ALA . 10100 1 41 . VAL . 10100 1 42 . ILE . 10100 1 43 . ALA . 10100 1 44 . MET . 10100 1 45 . GLY . 10100 1 46 . SER . 10100 1 47 . ALA . 10100 1 48 . ASP . 10100 1 49 . ARG . 10100 1 50 . ASP . 10100 1 51 . GLY . 10100 1 52 . ARG . 10100 1 53 . LEU . 10100 1 54 . HIS . 10100 1 55 . PRO . 10100 1 56 . GLY . 10100 1 57 . ASP . 10100 1 58 . GLU . 10100 1 59 . LEU . 10100 1 60 . VAL . 10100 1 61 . TYR . 10100 1 62 . VAL . 10100 1 63 . ASP . 10100 1 64 . GLY . 10100 1 65 . ILE . 10100 1 66 . PRO . 10100 1 67 . VAL . 10100 1 68 . ALA . 10100 1 69 . GLY . 10100 1 70 . LYS . 10100 1 71 . THR . 10100 1 72 . HIS . 10100 1 73 . ARG . 10100 1 74 . TYR . 10100 1 75 . VAL . 10100 1 76 . ILE . 10100 1 77 . ASP . 10100 1 78 . LEU . 10100 1 79 . MET . 10100 1 80 . HIS . 10100 1 81 . HIS . 10100 1 82 . ALA . 10100 1 83 . ALA . 10100 1 84 . ARG . 10100 1 85 . ASN . 10100 1 86 . GLY . 10100 1 87 . GLN . 10100 1 88 . VAL . 10100 1 89 . ASN . 10100 1 90 . LEU . 10100 1 91 . THR . 10100 1 92 . VAL . 10100 1 93 . ARG . 10100 1 94 . ARG . 10100 1 95 . LYS . 10100 1 96 . VAL . 10100 1 97 . LEU . 10100 1 98 . SER . 10100 1 99 . GLY . 10100 1 100 . PRO . 10100 1 101 . SER . 10100 1 102 . SER . 10100 1 103 . GLY . 10100 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 10100 1 . SER 2 2 10100 1 . SER 3 3 10100 1 . GLY 4 4 10100 1 . SER 5 5 10100 1 . SER 6 6 10100 1 . GLY 7 7 10100 1 . TYR 8 8 10100 1 . LYS 9 9 10100 1 . GLU 10 10 10100 1 . LEU 11 11 10100 1 . ASP 12 12 10100 1 . VAL 13 13 10100 1 . HIS 14 14 10100 1 . LEU 15 15 10100 1 . ARG 16 16 10100 1 . ARG 17 17 10100 1 . MET 18 18 10100 1 . GLU 19 19 10100 1 . SER 20 20 10100 1 . GLY 21 21 10100 1 . PHE 22 22 10100 1 . GLY 23 23 10100 1 . PHE 24 24 10100 1 . ARG 25 25 10100 1 . ILE 26 26 10100 1 . LEU 27 27 10100 1 . GLY 28 28 10100 1 . GLY 29 29 10100 1 . ASP 30 30 10100 1 . GLU 31 31 10100 1 . PRO 32 32 10100 1 . GLY 33 33 10100 1 . GLN 34 34 10100 1 . PRO 35 35 10100 1 . ILE 36 36 10100 1 . LEU 37 37 10100 1 . ILE 38 38 10100 1 . GLY 39 39 10100 1 . ALA 40 40 10100 1 . VAL 41 41 10100 1 . ILE 42 42 10100 1 . ALA 43 43 10100 1 . MET 44 44 10100 1 . GLY 45 45 10100 1 . SER 46 46 10100 1 . ALA 47 47 10100 1 . ASP 48 48 10100 1 . ARG 49 49 10100 1 . ASP 50 50 10100 1 . GLY 51 51 10100 1 . ARG 52 52 10100 1 . LEU 53 53 10100 1 . HIS 54 54 10100 1 . PRO 55 55 10100 1 . GLY 56 56 10100 1 . ASP 57 57 10100 1 . GLU 58 58 10100 1 . LEU 59 59 10100 1 . VAL 60 60 10100 1 . TYR 61 61 10100 1 . VAL 62 62 10100 1 . ASP 63 63 10100 1 . GLY 64 64 10100 1 . ILE 65 65 10100 1 . PRO 66 66 10100 1 . VAL 67 67 10100 1 . ALA 68 68 10100 1 . GLY 69 69 10100 1 . LYS 70 70 10100 1 . THR 71 71 10100 1 . HIS 72 72 10100 1 . ARG 73 73 10100 1 . TYR 74 74 10100 1 . VAL 75 75 10100 1 . ILE 76 76 10100 1 . ASP 77 77 10100 1 . LEU 78 78 10100 1 . MET 79 79 10100 1 . HIS 80 80 10100 1 . HIS 81 81 10100 1 . ALA 82 82 10100 1 . ALA 83 83 10100 1 . ARG 84 84 10100 1 . ASN 85 85 10100 1 . GLY 86 86 10100 1 . GLN 87 87 10100 1 . VAL 88 88 10100 1 . ASN 89 89 10100 1 . LEU 90 90 10100 1 . THR 91 91 10100 1 . VAL 92 92 10100 1 . ARG 93 93 10100 1 . ARG 94 94 10100 1 . LYS 95 95 10100 1 . VAL 96 96 10100 1 . LEU 97 97 10100 1 . SER 98 98 10100 1 . GLY 99 99 10100 1 . PRO 100 100 10100 1 . SER 101 101 10100 1 . SER 102 102 10100 1 . GLY 103 103 10100 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 10100 _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 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10100 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 10100 _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 . . P021030-30 . . . . . . 10100 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10100 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.3 . . mM . . . . 10100 1 2 Tris-HCl . . . . . . buffer 20 . . mM . . . . 10100 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10100 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10100 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10100 1 6 H2O . . . . . . solvent 90 . . % . . . . 10100 1 7 D2O . . . . . . solvent 10 . . % . . . . 10100 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 10100 _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 10100 1 pH 7.0 0.05 pH 10100 1 pressure 1 0.001 atm 10100 1 temperature 298 0.1 K 10100 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10100 _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 . . 10100 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10100 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10100 _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.' . . 10100 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10100 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10100 _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.' . . 10100 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10100 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10100 _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.' . . 10100 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10100 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10100 _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.' . . 10100 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 10100 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 10100 _Software.ID 6 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'BILLETER, M.' . . 10100 6 'GUNTERT, P.' . . 10100 6 'KORADI, R.' . . 10100 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10100 6 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 10100 _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_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10100 _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 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10100 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10100 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10100 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10100 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10100 _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 . . . . . . . . . 10100 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10100 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10100 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 10100 _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 10100 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10100 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 6 6 SER HA H 1 4.507 0.030 . 1 . . . . 6 SER HA . 10100 1 2 . 1 1 6 6 SER HB2 H 1 3.903 0.030 . 1 . . . . 6 SER HB2 . 10100 1 3 . 1 1 6 6 SER HB3 H 1 3.903 0.030 . 1 . . . . 6 SER HB3 . 10100 1 4 . 1 1 6 6 SER CA C 13 58.672 0.300 . 1 . . . . 6 SER CA . 10100 1 5 . 1 1 6 6 SER CB C 13 64.016 0.300 . 1 . . . . 6 SER CB . 10100 1 6 . 1 1 7 7 GLY H H 1 8.466 0.030 . 1 . . . . 7 GLY H . 10100 1 7 . 1 1 7 7 GLY HA2 H 1 3.957 0.030 . 1 . . . . 7 GLY HA2 . 10100 1 8 . 1 1 7 7 GLY HA3 H 1 3.957 0.030 . 1 . . . . 7 GLY HA3 . 10100 1 9 . 1 1 7 7 GLY C C 13 173.237 0.300 . 1 . . . . 7 GLY C . 10100 1 10 . 1 1 7 7 GLY CA C 13 45.383 0.300 . 1 . . . . 7 GLY CA . 10100 1 11 . 1 1 7 7 GLY N N 15 109.953 0.300 . 1 . . . . 7 GLY N . 10100 1 12 . 1 1 8 8 TYR H H 1 7.997 0.030 . 1 . . . . 8 TYR H . 10100 1 13 . 1 1 8 8 TYR HA H 1 5.267 0.030 . 1 . . . . 8 TYR HA . 10100 1 14 . 1 1 8 8 TYR HB2 H 1 2.762 0.030 . 1 . . . . 8 TYR HB2 . 10100 1 15 . 1 1 8 8 TYR HB3 H 1 2.762 0.030 . 1 . . . . 8 TYR HB3 . 10100 1 16 . 1 1 8 8 TYR HD1 H 1 6.826 0.030 . 1 . . . . 8 TYR HD1 . 10100 1 17 . 1 1 8 8 TYR HD2 H 1 6.826 0.030 . 1 . . . . 8 TYR HD2 . 10100 1 18 . 1 1 8 8 TYR HE1 H 1 6.796 0.030 . 1 . . . . 8 TYR HE1 . 10100 1 19 . 1 1 8 8 TYR HE2 H 1 6.796 0.030 . 1 . . . . 8 TYR HE2 . 10100 1 20 . 1 1 8 8 TYR C C 13 174.947 0.300 . 1 . . . . 8 TYR C . 10100 1 21 . 1 1 8 8 TYR CA C 13 57.139 0.300 . 1 . . . . 8 TYR CA . 10100 1 22 . 1 1 8 8 TYR CB C 13 42.169 0.300 . 1 . . . . 8 TYR CB . 10100 1 23 . 1 1 8 8 TYR CD1 C 13 133.068 0.300 . 1 . . . . 8 TYR CD1 . 10100 1 24 . 1 1 8 8 TYR CD2 C 13 133.068 0.300 . 1 . . . . 8 TYR CD2 . 10100 1 25 . 1 1 8 8 TYR CE1 C 13 118.253 0.300 . 1 . . . . 8 TYR CE1 . 10100 1 26 . 1 1 8 8 TYR CE2 C 13 118.253 0.300 . 1 . . . . 8 TYR CE2 . 10100 1 27 . 1 1 8 8 TYR N N 15 117.707 0.300 . 1 . . . . 8 TYR N . 10100 1 28 . 1 1 9 9 LYS H H 1 9.134 0.030 . 1 . . . . 9 LYS H . 10100 1 29 . 1 1 9 9 LYS HA H 1 4.706 0.030 . 1 . . . . 9 LYS HA . 10100 1 30 . 1 1 9 9 LYS HB2 H 1 1.718 0.030 . 1 . . . . 9 LYS HB2 . 10100 1 31 . 1 1 9 9 LYS HB3 H 1 1.718 0.030 . 1 . . . . 9 LYS HB3 . 10100 1 32 . 1 1 9 9 LYS HG2 H 1 1.331 0.030 . 1 . . . . 9 LYS HG2 . 10100 1 33 . 1 1 9 9 LYS HG3 H 1 1.331 0.030 . 1 . . . . 9 LYS HG3 . 10100 1 34 . 1 1 9 9 LYS HD2 H 1 1.673 0.030 . 1 . . . . 9 LYS HD2 . 10100 1 35 . 1 1 9 9 LYS HD3 H 1 1.673 0.030 . 1 . . . . 9 LYS HD3 . 10100 1 36 . 1 1 9 9 LYS HE2 H 1 2.924 0.030 . 1 . . . . 9 LYS HE2 . 10100 1 37 . 1 1 9 9 LYS HE3 H 1 2.924 0.030 . 1 . . . . 9 LYS HE3 . 10100 1 38 . 1 1 9 9 LYS C C 13 174.505 0.300 . 1 . . . . 9 LYS C . 10100 1 39 . 1 1 9 9 LYS CA C 13 54.713 0.300 . 1 . . . . 9 LYS CA . 10100 1 40 . 1 1 9 9 LYS CB C 13 35.624 0.300 . 1 . . . . 9 LYS CB . 10100 1 41 . 1 1 9 9 LYS CG C 13 24.514 0.300 . 1 . . . . 9 LYS CG . 10100 1 42 . 1 1 9 9 LYS CD C 13 29.391 0.300 . 1 . . . . 9 LYS CD . 10100 1 43 . 1 1 9 9 LYS CE C 13 42.228 0.300 . 1 . . . . 9 LYS CE . 10100 1 44 . 1 1 9 9 LYS N N 15 121.172 0.300 . 1 . . . . 9 LYS N . 10100 1 45 . 1 1 10 10 GLU H H 1 8.646 0.030 . 1 . . . . 10 GLU H . 10100 1 46 . 1 1 10 10 GLU HA H 1 5.430 0.030 . 1 . . . . 10 GLU HA . 10100 1 47 . 1 1 10 10 GLU HB2 H 1 1.895 0.030 . 1 . . . . 10 GLU HB2 . 10100 1 48 . 1 1 10 10 GLU HB3 H 1 1.895 0.030 . 1 . . . . 10 GLU HB3 . 10100 1 49 . 1 1 10 10 GLU HG2 H 1 2.039 0.030 . 2 . . . . 10 GLU HG2 . 10100 1 50 . 1 1 10 10 GLU HG3 H 1 2.197 0.030 . 2 . . . . 10 GLU HG3 . 10100 1 51 . 1 1 10 10 GLU C C 13 175.818 0.300 . 1 . . . . 10 GLU C . 10100 1 52 . 1 1 10 10 GLU CA C 13 55.002 0.300 . 1 . . . . 10 GLU CA . 10100 1 53 . 1 1 10 10 GLU CB C 13 32.402 0.300 . 1 . . . . 10 GLU CB . 10100 1 54 . 1 1 10 10 GLU CG C 13 37.769 0.300 . 1 . . . . 10 GLU CG . 10100 1 55 . 1 1 10 10 GLU N N 15 124.287 0.300 . 1 . . . . 10 GLU N . 10100 1 56 . 1 1 11 11 LEU H H 1 9.034 0.030 . 1 . . . . 11 LEU H . 10100 1 57 . 1 1 11 11 LEU HA H 1 4.694 0.030 . 1 . . . . 11 LEU HA . 10100 1 58 . 1 1 11 11 LEU HB2 H 1 1.474 0.030 . 2 . . . . 11 LEU HB2 . 10100 1 59 . 1 1 11 11 LEU HB3 H 1 1.420 0.030 . 2 . . . . 11 LEU HB3 . 10100 1 60 . 1 1 11 11 LEU HG H 1 1.481 0.030 . 1 . . . . 11 LEU HG . 10100 1 61 . 1 1 11 11 LEU HD11 H 1 0.651 0.030 . 1 . . . . 11 LEU HD1 . 10100 1 62 . 1 1 11 11 LEU HD12 H 1 0.651 0.030 . 1 . . . . 11 LEU HD1 . 10100 1 63 . 1 1 11 11 LEU HD13 H 1 0.651 0.030 . 1 . . . . 11 LEU HD1 . 10100 1 64 . 1 1 11 11 LEU HD21 H 1 0.667 0.030 . 1 . . . . 11 LEU HD2 . 10100 1 65 . 1 1 11 11 LEU HD22 H 1 0.667 0.030 . 1 . . . . 11 LEU HD2 . 10100 1 66 . 1 1 11 11 LEU HD23 H 1 0.667 0.030 . 1 . . . . 11 LEU HD2 . 10100 1 67 . 1 1 11 11 LEU C C 13 173.870 0.300 . 1 . . . . 11 LEU C . 10100 1 68 . 1 1 11 11 LEU CA C 13 55.031 0.300 . 1 . . . . 11 LEU CA . 10100 1 69 . 1 1 11 11 LEU CB C 13 44.791 0.300 . 1 . . . . 11 LEU CB . 10100 1 70 . 1 1 11 11 LEU CG C 13 26.801 0.300 . 1 . . . . 11 LEU CG . 10100 1 71 . 1 1 11 11 LEU CD1 C 13 25.484 0.300 . 2 . . . . 11 LEU CD1 . 10100 1 72 . 1 1 11 11 LEU CD2 C 13 25.631 0.300 . 2 . . . . 11 LEU CD2 . 10100 1 73 . 1 1 11 11 LEU N N 15 123.387 0.300 . 1 . . . . 11 LEU N . 10100 1 74 . 1 1 12 12 ASP H H 1 8.260 0.030 . 1 . . . . 12 ASP H . 10100 1 75 . 1 1 12 12 ASP HA H 1 5.592 0.030 . 1 . . . . 12 ASP HA . 10100 1 76 . 1 1 12 12 ASP HB2 H 1 2.614 0.030 . 2 . . . . 12 ASP HB2 . 10100 1 77 . 1 1 12 12 ASP HB3 H 1 2.500 0.030 . 2 . . . . 12 ASP HB3 . 10100 1 78 . 1 1 12 12 ASP C C 13 175.818 0.300 . 1 . . . . 12 ASP C . 10100 1 79 . 1 1 12 12 ASP CA C 13 53.000 0.300 . 1 . . . . 12 ASP CA . 10100 1 80 . 1 1 12 12 ASP CB C 13 42.402 0.300 . 1 . . . . 12 ASP CB . 10100 1 81 . 1 1 12 12 ASP N N 15 121.986 0.300 . 1 . . . . 12 ASP N . 10100 1 82 . 1 1 13 13 VAL H H 1 9.197 0.030 . 1 . . . . 13 VAL H . 10100 1 83 . 1 1 13 13 VAL HA H 1 4.004 0.030 . 1 . . . . 13 VAL HA . 10100 1 84 . 1 1 13 13 VAL HB H 1 1.717 0.030 . 1 . . . . 13 VAL HB . 10100 1 85 . 1 1 13 13 VAL HG11 H 1 0.646 0.030 . 1 . . . . 13 VAL HG1 . 10100 1 86 . 1 1 13 13 VAL HG12 H 1 0.646 0.030 . 1 . . . . 13 VAL HG1 . 10100 1 87 . 1 1 13 13 VAL HG13 H 1 0.646 0.030 . 1 . . . . 13 VAL HG1 . 10100 1 88 . 1 1 13 13 VAL HG21 H 1 0.795 0.030 . 1 . . . . 13 VAL HG2 . 10100 1 89 . 1 1 13 13 VAL HG22 H 1 0.795 0.030 . 1 . . . . 13 VAL HG2 . 10100 1 90 . 1 1 13 13 VAL HG23 H 1 0.795 0.030 . 1 . . . . 13 VAL HG2 . 10100 1 91 . 1 1 13 13 VAL C C 13 176.856 0.300 . 1 . . . . 13 VAL C . 10100 1 92 . 1 1 13 13 VAL CA C 13 61.943 0.300 . 1 . . . . 13 VAL CA . 10100 1 93 . 1 1 13 13 VAL CB C 13 36.186 0.300 . 1 . . . . 13 VAL CB . 10100 1 94 . 1 1 13 13 VAL CG1 C 13 21.221 0.300 . 1 . . . . 13 VAL CG1 . 10100 1 95 . 1 1 13 13 VAL CG2 C 13 21.221 0.300 . 1 . . . . 13 VAL CG2 . 10100 1 96 . 1 1 13 13 VAL N N 15 121.618 0.300 . 1 . . . . 13 VAL N . 10100 1 97 . 1 1 14 14 HIS H H 1 9.082 0.030 . 1 . . . . 14 HIS H . 10100 1 98 . 1 1 14 14 HIS HA H 1 5.480 0.030 . 1 . . . . 14 HIS HA . 10100 1 99 . 1 1 14 14 HIS HB2 H 1 3.075 0.030 . 2 . . . . 14 HIS HB2 . 10100 1 100 . 1 1 14 14 HIS HB3 H 1 3.128 0.030 . 2 . . . . 14 HIS HB3 . 10100 1 101 . 1 1 14 14 HIS HD2 H 1 6.841 0.030 . 1 . . . . 14 HIS HD2 . 10100 1 102 . 1 1 14 14 HIS HE1 H 1 7.736 0.030 . 1 . . . . 14 HIS HE1 . 10100 1 103 . 1 1 14 14 HIS CA C 13 54.795 0.300 . 1 . . . . 14 HIS CA . 10100 1 104 . 1 1 14 14 HIS CB C 13 31.736 0.300 . 1 . . . . 14 HIS CB . 10100 1 105 . 1 1 14 14 HIS CD2 C 13 121.317 0.300 . 1 . . . . 14 HIS CD2 . 10100 1 106 . 1 1 14 14 HIS CE1 C 13 137.430 0.300 . 1 . . . . 14 HIS CE1 . 10100 1 107 . 1 1 14 14 HIS N N 15 120.036 0.300 . 1 . . . . 14 HIS N . 10100 1 108 . 1 1 15 15 LEU H H 1 8.324 0.030 . 1 . . . . 15 LEU H . 10100 1 109 . 1 1 15 15 LEU HA H 1 4.850 0.030 . 1 . . . . 15 LEU HA . 10100 1 110 . 1 1 15 15 LEU HB2 H 1 1.521 0.030 . 1 . . . . 15 LEU HB2 . 10100 1 111 . 1 1 15 15 LEU HB3 H 1 1.521 0.030 . 1 . . . . 15 LEU HB3 . 10100 1 112 . 1 1 15 15 LEU HG H 1 1.379 0.030 . 1 . . . . 15 LEU HG . 10100 1 113 . 1 1 15 15 LEU HD11 H 1 0.900 0.030 . 1 . . . . 15 LEU HD1 . 10100 1 114 . 1 1 15 15 LEU HD12 H 1 0.900 0.030 . 1 . . . . 15 LEU HD1 . 10100 1 115 . 1 1 15 15 LEU HD13 H 1 0.900 0.030 . 1 . . . . 15 LEU HD1 . 10100 1 116 . 1 1 15 15 LEU HD21 H 1 0.837 0.030 . 1 . . . . 15 LEU HD2 . 10100 1 117 . 1 1 15 15 LEU HD22 H 1 0.837 0.030 . 1 . . . . 15 LEU HD2 . 10100 1 118 . 1 1 15 15 LEU HD23 H 1 0.837 0.030 . 1 . . . . 15 LEU HD2 . 10100 1 119 . 1 1 15 15 LEU C C 13 175.939 0.300 . 1 . . . . 15 LEU C . 10100 1 120 . 1 1 15 15 LEU CA C 13 52.687 0.300 . 1 . . . . 15 LEU CA . 10100 1 121 . 1 1 15 15 LEU CB C 13 46.427 0.300 . 1 . . . . 15 LEU CB . 10100 1 122 . 1 1 15 15 LEU CG C 13 26.851 0.300 . 1 . . . . 15 LEU CG . 10100 1 123 . 1 1 15 15 LEU CD1 C 13 23.435 0.300 . 2 . . . . 15 LEU CD1 . 10100 1 124 . 1 1 15 15 LEU CD2 C 13 26.738 0.300 . 2 . . . . 15 LEU CD2 . 10100 1 125 . 1 1 15 15 LEU N N 15 122.642 0.300 . 1 . . . . 15 LEU N . 10100 1 126 . 1 1 16 16 ARG H H 1 8.858 0.030 . 1 . . . . 16 ARG H . 10100 1 127 . 1 1 16 16 ARG HA H 1 4.819 0.030 . 1 . . . . 16 ARG HA . 10100 1 128 . 1 1 16 16 ARG HB2 H 1 1.824 0.030 . 2 . . . . 16 ARG HB2 . 10100 1 129 . 1 1 16 16 ARG HB3 H 1 1.943 0.030 . 2 . . . . 16 ARG HB3 . 10100 1 130 . 1 1 16 16 ARG HG2 H 1 1.735 0.030 . 2 . . . . 16 ARG HG2 . 10100 1 131 . 1 1 16 16 ARG HG3 H 1 1.806 0.030 . 2 . . . . 16 ARG HG3 . 10100 1 132 . 1 1 16 16 ARG HD2 H 1 3.315 0.030 . 1 . . . . 16 ARG HD2 . 10100 1 133 . 1 1 16 16 ARG HD3 H 1 3.315 0.030 . 1 . . . . 16 ARG HD3 . 10100 1 134 . 1 1 16 16 ARG C C 13 176.487 0.300 . 1 . . . . 16 ARG C . 10100 1 135 . 1 1 16 16 ARG CA C 13 54.615 0.300 . 1 . . . . 16 ARG CA . 10100 1 136 . 1 1 16 16 ARG CB C 13 31.403 0.300 . 1 . . . . 16 ARG CB . 10100 1 137 . 1 1 16 16 ARG CG C 13 27.911 0.300 . 1 . . . . 16 ARG CG . 10100 1 138 . 1 1 16 16 ARG CD C 13 43.174 0.300 . 1 . . . . 16 ARG CD . 10100 1 139 . 1 1 16 16 ARG N N 15 119.758 0.300 . 1 . . . . 16 ARG N . 10100 1 140 . 1 1 17 17 ARG H H 1 7.911 0.030 . 1 . . . . 17 ARG H . 10100 1 141 . 1 1 17 17 ARG HA H 1 3.445 0.030 . 1 . . . . 17 ARG HA . 10100 1 142 . 1 1 17 17 ARG HB2 H 1 1.348 0.030 . 2 . . . . 17 ARG HB2 . 10100 1 143 . 1 1 17 17 ARG HB3 H 1 1.038 0.030 . 2 . . . . 17 ARG HB3 . 10100 1 144 . 1 1 17 17 ARG HG2 H 1 1.516 0.030 . 2 . . . . 17 ARG HG2 . 10100 1 145 . 1 1 17 17 ARG HG3 H 1 0.757 0.030 . 2 . . . . 17 ARG HG3 . 10100 1 146 . 1 1 17 17 ARG HD2 H 1 3.101 0.030 . 2 . . . . 17 ARG HD2 . 10100 1 147 . 1 1 17 17 ARG HD3 H 1 2.947 0.030 . 2 . . . . 17 ARG HD3 . 10100 1 148 . 1 1 17 17 ARG C C 13 175.539 0.300 . 1 . . . . 17 ARG C . 10100 1 149 . 1 1 17 17 ARG CA C 13 56.961 0.300 . 1 . . . . 17 ARG CA . 10100 1 150 . 1 1 17 17 ARG CB C 13 30.328 0.300 . 1 . . . . 17 ARG CB . 10100 1 151 . 1 1 17 17 ARG CG C 13 26.419 0.300 . 1 . . . . 17 ARG CG . 10100 1 152 . 1 1 17 17 ARG CD C 13 43.377 0.300 . 1 . . . . 17 ARG CD . 10100 1 153 . 1 1 17 17 ARG N N 15 123.392 0.300 . 1 . . . . 17 ARG N . 10100 1 154 . 1 1 18 18 MET H H 1 7.802 0.030 . 1 . . . . 18 MET H . 10100 1 155 . 1 1 18 18 MET HA H 1 4.734 0.030 . 1 . . . . 18 MET HA . 10100 1 156 . 1 1 18 18 MET HB2 H 1 1.993 0.030 . 2 . . . . 18 MET HB2 . 10100 1 157 . 1 1 18 18 MET HB3 H 1 2.415 0.030 . 2 . . . . 18 MET HB3 . 10100 1 158 . 1 1 18 18 MET HG2 H 1 2.607 0.030 . 1 . . . . 18 MET HG2 . 10100 1 159 . 1 1 18 18 MET HG3 H 1 2.607 0.030 . 1 . . . . 18 MET HG3 . 10100 1 160 . 1 1 18 18 MET HE1 H 1 2.178 0.030 . 1 . . . . 18 MET HE . 10100 1 161 . 1 1 18 18 MET HE2 H 1 2.178 0.030 . 1 . . . . 18 MET HE . 10100 1 162 . 1 1 18 18 MET HE3 H 1 2.178 0.030 . 1 . . . . 18 MET HE . 10100 1 163 . 1 1 18 18 MET C C 13 176.472 0.300 . 1 . . . . 18 MET C . 10100 1 164 . 1 1 18 18 MET CA C 13 55.418 0.300 . 1 . . . . 18 MET CA . 10100 1 165 . 1 1 18 18 MET CB C 13 35.031 0.300 . 1 . . . . 18 MET CB . 10100 1 166 . 1 1 18 18 MET CG C 13 32.895 0.300 . 1 . . . . 18 MET CG . 10100 1 167 . 1 1 18 18 MET CE C 13 17.270 0.300 . 1 . . . . 18 MET CE . 10100 1 168 . 1 1 18 18 MET N N 15 124.758 0.300 . 1 . . . . 18 MET N . 10100 1 169 . 1 1 19 19 GLU HA H 1 3.956 0.030 . 1 . . . . 19 GLU HA . 10100 1 170 . 1 1 19 19 GLU HB2 H 1 2.069 0.030 . 2 . . . . 19 GLU HB2 . 10100 1 171 . 1 1 19 19 GLU HB3 H 1 2.137 0.030 . 2 . . . . 19 GLU HB3 . 10100 1 172 . 1 1 19 19 GLU HG2 H 1 2.319 0.030 . 1 . . . . 19 GLU HG2 . 10100 1 173 . 1 1 19 19 GLU HG3 H 1 2.319 0.030 . 1 . . . . 19 GLU HG3 . 10100 1 174 . 1 1 19 19 GLU CA C 13 60.020 0.300 . 1 . . . . 19 GLU CA . 10100 1 175 . 1 1 19 19 GLU CB C 13 28.483 0.300 . 1 . . . . 19 GLU CB . 10100 1 176 . 1 1 19 19 GLU CG C 13 36.400 0.300 . 1 . . . . 19 GLU CG . 10100 1 177 . 1 1 20 20 SER HA H 1 4.426 0.030 . 1 . . . . 20 SER HA . 10100 1 178 . 1 1 20 20 SER HB2 H 1 4.064 0.030 . 2 . . . . 20 SER HB2 . 10100 1 179 . 1 1 20 20 SER HB3 H 1 3.849 0.030 . 2 . . . . 20 SER HB3 . 10100 1 180 . 1 1 20 20 SER CA C 13 57.835 0.300 . 1 . . . . 20 SER CA . 10100 1 181 . 1 1 20 20 SER CB C 13 63.375 0.300 . 1 . . . . 20 SER CB . 10100 1 182 . 1 1 21 21 GLY H H 1 7.780 0.030 . 1 . . . . 21 GLY H . 10100 1 183 . 1 1 21 21 GLY HA2 H 1 3.236 0.030 . 2 . . . . 21 GLY HA2 . 10100 1 184 . 1 1 21 21 GLY HA3 H 1 4.329 0.030 . 2 . . . . 21 GLY HA3 . 10100 1 185 . 1 1 21 21 GLY C C 13 174.561 0.300 . 1 . . . . 21 GLY C . 10100 1 186 . 1 1 21 21 GLY CA C 13 45.095 0.300 . 1 . . . . 21 GLY CA . 10100 1 187 . 1 1 21 21 GLY N N 15 109.838 0.300 . 1 . . . . 21 GLY N . 10100 1 188 . 1 1 22 22 PHE HA H 1 4.756 0.030 . 1 . . . . 22 PHE HA . 10100 1 189 . 1 1 22 22 PHE HB2 H 1 3.403 0.030 . 2 . . . . 22 PHE HB2 . 10100 1 190 . 1 1 22 22 PHE HB3 H 1 2.614 0.030 . 2 . . . . 22 PHE HB3 . 10100 1 191 . 1 1 22 22 PHE HD1 H 1 7.047 0.030 . 1 . . . . 22 PHE HD1 . 10100 1 192 . 1 1 22 22 PHE HD2 H 1 7.047 0.030 . 1 . . . . 22 PHE HD2 . 10100 1 193 . 1 1 22 22 PHE HE1 H 1 7.053 0.030 . 1 . . . . 22 PHE HE1 . 10100 1 194 . 1 1 22 22 PHE HE2 H 1 7.053 0.030 . 1 . . . . 22 PHE HE2 . 10100 1 195 . 1 1 22 22 PHE HZ H 1 6.671 0.030 . 1 . . . . 22 PHE HZ . 10100 1 196 . 1 1 22 22 PHE CA C 13 59.254 0.300 . 1 . . . . 22 PHE CA . 10100 1 197 . 1 1 22 22 PHE CB C 13 40.632 0.300 . 1 . . . . 22 PHE CB . 10100 1 198 . 1 1 22 22 PHE CD1 C 13 132.051 0.300 . 1 . . . . 22 PHE CD1 . 10100 1 199 . 1 1 22 22 PHE CD2 C 13 132.051 0.300 . 1 . . . . 22 PHE CD2 . 10100 1 200 . 1 1 22 22 PHE CE1 C 13 131.051 0.300 . 1 . . . . 22 PHE CE1 . 10100 1 201 . 1 1 22 22 PHE CE2 C 13 131.051 0.300 . 1 . . . . 22 PHE CE2 . 10100 1 202 . 1 1 22 22 PHE CZ C 13 128.598 0.300 . 1 . . . . 22 PHE CZ . 10100 1 203 . 1 1 23 23 GLY H H 1 8.649 0.030 . 1 . . . . 23 GLY H . 10100 1 204 . 1 1 23 23 GLY HA2 H 1 4.295 0.030 . 2 . . . . 23 GLY HA2 . 10100 1 205 . 1 1 23 23 GLY HA3 H 1 3.927 0.030 . 2 . . . . 23 GLY HA3 . 10100 1 206 . 1 1 23 23 GLY C C 13 175.803 0.300 . 1 . . . . 23 GLY C . 10100 1 207 . 1 1 23 23 GLY CA C 13 47.106 0.300 . 1 . . . . 23 GLY CA . 10100 1 208 . 1 1 23 23 GLY N N 15 106.972 0.300 . 1 . . . . 23 GLY N . 10100 1 209 . 1 1 24 24 PHE H H 1 7.440 0.030 . 1 . . . . 24 PHE H . 10100 1 210 . 1 1 24 24 PHE HA H 1 5.546 0.030 . 1 . . . . 24 PHE HA . 10100 1 211 . 1 1 24 24 PHE HB2 H 1 3.141 0.030 . 2 . . . . 24 PHE HB2 . 10100 1 212 . 1 1 24 24 PHE HB3 H 1 2.910 0.030 . 2 . . . . 24 PHE HB3 . 10100 1 213 . 1 1 24 24 PHE HD1 H 1 6.888 0.030 . 1 . . . . 24 PHE HD1 . 10100 1 214 . 1 1 24 24 PHE HD2 H 1 6.888 0.030 . 1 . . . . 24 PHE HD2 . 10100 1 215 . 1 1 24 24 PHE HE1 H 1 6.825 0.030 . 1 . . . . 24 PHE HE1 . 10100 1 216 . 1 1 24 24 PHE HE2 H 1 6.825 0.030 . 1 . . . . 24 PHE HE2 . 10100 1 217 . 1 1 24 24 PHE HZ H 1 6.990 0.030 . 1 . . . . 24 PHE HZ . 10100 1 218 . 1 1 24 24 PHE C C 13 172.555 0.300 . 1 . . . . 24 PHE C . 10100 1 219 . 1 1 24 24 PHE CA C 13 56.108 0.300 . 1 . . . . 24 PHE CA . 10100 1 220 . 1 1 24 24 PHE CB C 13 41.060 0.300 . 1 . . . . 24 PHE CB . 10100 1 221 . 1 1 24 24 PHE CD1 C 13 132.454 0.300 . 1 . . . . 24 PHE CD1 . 10100 1 222 . 1 1 24 24 PHE CD2 C 13 132.454 0.300 . 1 . . . . 24 PHE CD2 . 10100 1 223 . 1 1 24 24 PHE CE1 C 13 130.404 0.300 . 1 . . . . 24 PHE CE1 . 10100 1 224 . 1 1 24 24 PHE CE2 C 13 130.404 0.300 . 1 . . . . 24 PHE CE2 . 10100 1 225 . 1 1 24 24 PHE CZ C 13 129.364 0.300 . 1 . . . . 24 PHE CZ . 10100 1 226 . 1 1 24 24 PHE N N 15 115.448 0.300 . 1 . . . . 24 PHE N . 10100 1 227 . 1 1 25 25 ARG H H 1 8.538 0.030 . 1 . . . . 25 ARG H . 10100 1 228 . 1 1 25 25 ARG HA H 1 4.844 0.030 . 1 . . . . 25 ARG HA . 10100 1 229 . 1 1 25 25 ARG HB2 H 1 2.000 0.030 . 2 . . . . 25 ARG HB2 . 10100 1 230 . 1 1 25 25 ARG HB3 H 1 1.805 0.030 . 2 . . . . 25 ARG HB3 . 10100 1 231 . 1 1 25 25 ARG HG2 H 1 1.606 0.030 . 1 . . . . 25 ARG HG2 . 10100 1 232 . 1 1 25 25 ARG HG3 H 1 1.606 0.030 . 1 . . . . 25 ARG HG3 . 10100 1 233 . 1 1 25 25 ARG HD2 H 1 3.255 0.030 . 1 . . . . 25 ARG HD2 . 10100 1 234 . 1 1 25 25 ARG HD3 H 1 3.255 0.030 . 1 . . . . 25 ARG HD3 . 10100 1 235 . 1 1 25 25 ARG C C 13 176.127 0.300 . 1 . . . . 25 ARG C . 10100 1 236 . 1 1 25 25 ARG CA C 13 53.933 0.300 . 1 . . . . 25 ARG CA . 10100 1 237 . 1 1 25 25 ARG CB C 13 33.151 0.300 . 1 . . . . 25 ARG CB . 10100 1 238 . 1 1 25 25 ARG CG C 13 27.702 0.300 . 1 . . . . 25 ARG CG . 10100 1 239 . 1 1 25 25 ARG CD C 13 43.106 0.300 . 1 . . . . 25 ARG CD . 10100 1 240 . 1 1 25 25 ARG N N 15 120.642 0.300 . 1 . . . . 25 ARG N . 10100 1 241 . 1 1 26 26 ILE H H 1 8.796 0.030 . 1 . . . . 26 ILE H . 10100 1 242 . 1 1 26 26 ILE HA H 1 5.053 0.030 . 1 . . . . 26 ILE HA . 10100 1 243 . 1 1 26 26 ILE HB H 1 1.749 0.030 . 1 . . . . 26 ILE HB . 10100 1 244 . 1 1 26 26 ILE HG12 H 1 1.454 0.030 . 2 . . . . 26 ILE HG12 . 10100 1 245 . 1 1 26 26 ILE HG13 H 1 1.019 0.030 . 2 . . . . 26 ILE HG13 . 10100 1 246 . 1 1 26 26 ILE HG21 H 1 0.833 0.030 . 1 . . . . 26 ILE HG2 . 10100 1 247 . 1 1 26 26 ILE HG22 H 1 0.833 0.030 . 1 . . . . 26 ILE HG2 . 10100 1 248 . 1 1 26 26 ILE HG23 H 1 0.833 0.030 . 1 . . . . 26 ILE HG2 . 10100 1 249 . 1 1 26 26 ILE HD11 H 1 0.636 0.030 . 1 . . . . 26 ILE HD1 . 10100 1 250 . 1 1 26 26 ILE HD12 H 1 0.636 0.030 . 1 . . . . 26 ILE HD1 . 10100 1 251 . 1 1 26 26 ILE HD13 H 1 0.636 0.030 . 1 . . . . 26 ILE HD1 . 10100 1 252 . 1 1 26 26 ILE C C 13 174.961 0.300 . 1 . . . . 26 ILE C . 10100 1 253 . 1 1 26 26 ILE CA C 13 60.246 0.300 . 1 . . . . 26 ILE CA . 10100 1 254 . 1 1 26 26 ILE CB C 13 40.540 0.300 . 1 . . . . 26 ILE CB . 10100 1 255 . 1 1 26 26 ILE CG1 C 13 27.151 0.300 . 1 . . . . 26 ILE CG1 . 10100 1 256 . 1 1 26 26 ILE CG2 C 13 18.575 0.300 . 1 . . . . 26 ILE CG2 . 10100 1 257 . 1 1 26 26 ILE CD1 C 13 13.908 0.300 . 1 . . . . 26 ILE CD1 . 10100 1 258 . 1 1 26 26 ILE N N 15 119.892 0.300 . 1 . . . . 26 ILE N . 10100 1 259 . 1 1 27 27 LEU H H 1 9.364 0.030 . 1 . . . . 27 LEU H . 10100 1 260 . 1 1 27 27 LEU HA H 1 4.856 0.030 . 1 . . . . 27 LEU HA . 10100 1 261 . 1 1 27 27 LEU HB2 H 1 1.684 0.030 . 2 . . . . 27 LEU HB2 . 10100 1 262 . 1 1 27 27 LEU HB3 H 1 1.561 0.030 . 2 . . . . 27 LEU HB3 . 10100 1 263 . 1 1 27 27 LEU HG H 1 1.477 0.030 . 1 . . . . 27 LEU HG . 10100 1 264 . 1 1 27 27 LEU HD11 H 1 0.938 0.030 . 1 . . . . 27 LEU HD1 . 10100 1 265 . 1 1 27 27 LEU HD12 H 1 0.938 0.030 . 1 . . . . 27 LEU HD1 . 10100 1 266 . 1 1 27 27 LEU HD13 H 1 0.938 0.030 . 1 . . . . 27 LEU HD1 . 10100 1 267 . 1 1 27 27 LEU HD21 H 1 0.957 0.030 . 1 . . . . 27 LEU HD2 . 10100 1 268 . 1 1 27 27 LEU HD22 H 1 0.957 0.030 . 1 . . . . 27 LEU HD2 . 10100 1 269 . 1 1 27 27 LEU HD23 H 1 0.957 0.030 . 1 . . . . 27 LEU HD2 . 10100 1 270 . 1 1 27 27 LEU C C 13 175.891 0.300 . 1 . . . . 27 LEU C . 10100 1 271 . 1 1 27 27 LEU CA C 13 53.720 0.300 . 1 . . . . 27 LEU CA . 10100 1 272 . 1 1 27 27 LEU CB C 13 45.866 0.300 . 1 . . . . 27 LEU CB . 10100 1 273 . 1 1 27 27 LEU CG C 13 27.141 0.300 . 1 . . . . 27 LEU CG . 10100 1 274 . 1 1 27 27 LEU CD1 C 13 25.537 0.300 . 2 . . . . 27 LEU CD1 . 10100 1 275 . 1 1 27 27 LEU CD2 C 13 24.188 0.300 . 2 . . . . 27 LEU CD2 . 10100 1 276 . 1 1 27 27 LEU N N 15 126.502 0.300 . 1 . . . . 27 LEU N . 10100 1 277 . 1 1 28 28 GLY H H 1 8.611 0.030 . 1 . . . . 28 GLY H . 10100 1 278 . 1 1 28 28 GLY HA2 H 1 4.806 0.030 . 2 . . . . 28 GLY HA2 . 10100 1 279 . 1 1 28 28 GLY HA3 H 1 3.875 0.030 . 2 . . . . 28 GLY HA3 . 10100 1 280 . 1 1 28 28 GLY C C 13 174.998 0.300 . 1 . . . . 28 GLY C . 10100 1 281 . 1 1 28 28 GLY CA C 13 44.350 0.300 . 1 . . . . 28 GLY CA . 10100 1 282 . 1 1 28 28 GLY N N 15 107.962 0.300 . 1 . . . . 28 GLY N . 10100 1 283 . 1 1 29 29 GLY H H 1 7.361 0.030 . 1 . . . . 29 GLY H . 10100 1 284 . 1 1 29 29 GLY HA2 H 1 3.906 0.030 . 2 . . . . 29 GLY HA2 . 10100 1 285 . 1 1 29 29 GLY HA3 H 1 3.917 0.030 . 2 . . . . 29 GLY HA3 . 10100 1 286 . 1 1 29 29 GLY C C 13 175.063 0.300 . 1 . . . . 29 GLY C . 10100 1 287 . 1 1 29 29 GLY CA C 13 46.697 0.300 . 1 . . . . 29 GLY CA . 10100 1 288 . 1 1 29 29 GLY N N 15 103.479 0.300 . 1 . . . . 29 GLY N . 10100 1 289 . 1 1 30 30 ASP H H 1 8.472 0.030 . 1 . . . . 30 ASP H . 10100 1 290 . 1 1 30 30 ASP HA H 1 4.514 0.030 . 1 . . . . 30 ASP HA . 10100 1 291 . 1 1 30 30 ASP HB2 H 1 2.708 0.030 . 2 . . . . 30 ASP HB2 . 10100 1 292 . 1 1 30 30 ASP HB3 H 1 2.739 0.030 . 2 . . . . 30 ASP HB3 . 10100 1 293 . 1 1 30 30 ASP C C 13 176.081 0.300 . 1 . . . . 30 ASP C . 10100 1 294 . 1 1 30 30 ASP CA C 13 56.495 0.300 . 1 . . . . 30 ASP CA . 10100 1 295 . 1 1 30 30 ASP CB C 13 41.131 0.300 . 1 . . . . 30 ASP CB . 10100 1 296 . 1 1 30 30 ASP N N 15 119.542 0.300 . 1 . . . . 30 ASP N . 10100 1 297 . 1 1 31 31 GLU H H 1 7.430 0.030 . 1 . . . . 31 GLU H . 10100 1 298 . 1 1 31 31 GLU HA H 1 4.768 0.030 . 1 . . . . 31 GLU HA . 10100 1 299 . 1 1 31 31 GLU HB2 H 1 1.669 0.030 . 2 . . . . 31 GLU HB2 . 10100 1 300 . 1 1 31 31 GLU HB3 H 1 2.047 0.030 . 2 . . . . 31 GLU HB3 . 10100 1 301 . 1 1 31 31 GLU HG2 H 1 2.195 0.030 . 1 . . . . 31 GLU HG2 . 10100 1 302 . 1 1 31 31 GLU HG3 H 1 2.195 0.030 . 1 . . . . 31 GLU HG3 . 10100 1 303 . 1 1 31 31 GLU C C 13 173.748 0.300 . 1 . . . . 31 GLU C . 10100 1 304 . 1 1 31 31 GLU CA C 13 52.900 0.300 . 1 . . . . 31 GLU CA . 10100 1 305 . 1 1 31 31 GLU CB C 13 31.085 0.300 . 1 . . . . 31 GLU CB . 10100 1 306 . 1 1 31 31 GLU CG C 13 35.601 0.300 . 1 . . . . 31 GLU CG . 10100 1 307 . 1 1 31 31 GLU N N 15 115.934 0.300 . 1 . . . . 31 GLU N . 10100 1 308 . 1 1 32 32 PRO HA H 1 4.078 0.030 . 1 . . . . 32 PRO HA . 10100 1 309 . 1 1 32 32 PRO HB2 H 1 2.281 0.030 . 2 . . . . 32 PRO HB2 . 10100 1 310 . 1 1 32 32 PRO HB3 H 1 1.920 0.030 . 2 . . . . 32 PRO HB3 . 10100 1 311 . 1 1 32 32 PRO HG2 H 1 1.925 0.030 . 2 . . . . 32 PRO HG2 . 10100 1 312 . 1 1 32 32 PRO HG3 H 1 2.162 0.030 . 2 . . . . 32 PRO HG3 . 10100 1 313 . 1 1 32 32 PRO HD2 H 1 3.720 0.030 . 2 . . . . 32 PRO HD2 . 10100 1 314 . 1 1 32 32 PRO HD3 H 1 3.786 0.030 . 2 . . . . 32 PRO HD3 . 10100 1 315 . 1 1 32 32 PRO CA C 13 64.065 0.300 . 1 . . . . 32 PRO CA . 10100 1 316 . 1 1 32 32 PRO CB C 13 31.769 0.300 . 1 . . . . 32 PRO CB . 10100 1 317 . 1 1 32 32 PRO CG C 13 27.861 0.300 . 1 . . . . 32 PRO CG . 10100 1 318 . 1 1 32 32 PRO CD C 13 50.724 0.300 . 1 . . . . 32 PRO CD . 10100 1 319 . 1 1 33 33 GLY H H 1 8.882 0.030 . 1 . . . . 33 GLY H . 10100 1 320 . 1 1 33 33 GLY HA2 H 1 4.374 0.030 . 2 . . . . 33 GLY HA2 . 10100 1 321 . 1 1 33 33 GLY HA3 H 1 3.610 0.030 . 2 . . . . 33 GLY HA3 . 10100 1 322 . 1 1 33 33 GLY C C 13 174.493 0.300 . 1 . . . . 33 GLY C . 10100 1 323 . 1 1 33 33 GLY CA C 13 45.205 0.300 . 1 . . . . 33 GLY CA . 10100 1 324 . 1 1 33 33 GLY N N 15 112.743 0.300 . 1 . . . . 33 GLY N . 10100 1 325 . 1 1 34 34 GLN H H 1 7.814 0.030 . 1 . . . . 34 GLN H . 10100 1 326 . 1 1 34 34 GLN HA H 1 4.734 0.030 . 1 . . . . 34 GLN HA . 10100 1 327 . 1 1 34 34 GLN HB2 H 1 2.056 0.030 . 2 . . . . 34 GLN HB2 . 10100 1 328 . 1 1 34 34 GLN HB3 H 1 2.255 0.030 . 2 . . . . 34 GLN HB3 . 10100 1 329 . 1 1 34 34 GLN HG2 H 1 2.527 0.030 . 2 . . . . 34 GLN HG2 . 10100 1 330 . 1 1 34 34 GLN HG3 H 1 2.558 0.030 . 2 . . . . 34 GLN HG3 . 10100 1 331 . 1 1 34 34 GLN HE21 H 1 7.588 0.030 . 2 . . . . 34 GLN HE21 . 10100 1 332 . 1 1 34 34 GLN HE22 H 1 7.067 0.030 . 2 . . . . 34 GLN HE22 . 10100 1 333 . 1 1 34 34 GLN C C 13 174.702 0.300 . 1 . . . . 34 GLN C . 10100 1 334 . 1 1 34 34 GLN CA C 13 53.677 0.300 . 1 . . . . 34 GLN CA . 10100 1 335 . 1 1 34 34 GLN CB C 13 29.141 0.300 . 1 . . . . 34 GLN CB . 10100 1 336 . 1 1 34 34 GLN CG C 13 33.750 0.300 . 1 . . . . 34 GLN CG . 10100 1 337 . 1 1 34 34 GLN N N 15 121.592 0.300 . 1 . . . . 34 GLN N . 10100 1 338 . 1 1 34 34 GLN NE2 N 15 112.009 0.300 . 1 . . . . 34 GLN NE2 . 10100 1 339 . 1 1 35 35 PRO HA H 1 4.364 0.030 . 1 . . . . 35 PRO HA . 10100 1 340 . 1 1 35 35 PRO HB2 H 1 2.218 0.030 . 2 . . . . 35 PRO HB2 . 10100 1 341 . 1 1 35 35 PRO HB3 H 1 1.712 0.030 . 2 . . . . 35 PRO HB3 . 10100 1 342 . 1 1 35 35 PRO HG2 H 1 2.037 0.030 . 1 . . . . 35 PRO HG2 . 10100 1 343 . 1 1 35 35 PRO HG3 H 1 2.037 0.030 . 1 . . . . 35 PRO HG3 . 10100 1 344 . 1 1 35 35 PRO HD2 H 1 3.727 0.030 . 2 . . . . 35 PRO HD2 . 10100 1 345 . 1 1 35 35 PRO HD3 H 1 3.996 0.030 . 2 . . . . 35 PRO HD3 . 10100 1 346 . 1 1 35 35 PRO CA C 13 63.394 0.300 . 1 . . . . 35 PRO CA . 10100 1 347 . 1 1 35 35 PRO CB C 13 32.651 0.300 . 1 . . . . 35 PRO CB . 10100 1 348 . 1 1 35 35 PRO CG C 13 27.447 0.300 . 1 . . . . 35 PRO CG . 10100 1 349 . 1 1 35 35 PRO CD C 13 50.971 0.300 . 1 . . . . 35 PRO CD . 10100 1 350 . 1 1 36 36 ILE H H 1 8.803 0.030 . 1 . . . . 36 ILE H . 10100 1 351 . 1 1 36 36 ILE HA H 1 4.541 0.030 . 1 . . . . 36 ILE HA . 10100 1 352 . 1 1 36 36 ILE HB H 1 1.849 0.030 . 1 . . . . 36 ILE HB . 10100 1 353 . 1 1 36 36 ILE HG12 H 1 1.576 0.030 . 2 . . . . 36 ILE HG12 . 10100 1 354 . 1 1 36 36 ILE HG13 H 1 1.001 0.030 . 2 . . . . 36 ILE HG13 . 10100 1 355 . 1 1 36 36 ILE HG21 H 1 0.852 0.030 . 1 . . . . 36 ILE HG2 . 10100 1 356 . 1 1 36 36 ILE HG22 H 1 0.852 0.030 . 1 . . . . 36 ILE HG2 . 10100 1 357 . 1 1 36 36 ILE HG23 H 1 0.852 0.030 . 1 . . . . 36 ILE HG2 . 10100 1 358 . 1 1 36 36 ILE HD11 H 1 0.770 0.030 . 1 . . . . 36 ILE HD1 . 10100 1 359 . 1 1 36 36 ILE HD12 H 1 0.770 0.030 . 1 . . . . 36 ILE HD1 . 10100 1 360 . 1 1 36 36 ILE HD13 H 1 0.770 0.030 . 1 . . . . 36 ILE HD1 . 10100 1 361 . 1 1 36 36 ILE C C 13 174.722 0.300 . 1 . . . . 36 ILE C . 10100 1 362 . 1 1 36 36 ILE CA C 13 60.590 0.300 . 1 . . . . 36 ILE CA . 10100 1 363 . 1 1 36 36 ILE CB C 13 37.888 0.300 . 1 . . . . 36 ILE CB . 10100 1 364 . 1 1 36 36 ILE CG1 C 13 28.131 0.300 . 1 . . . . 36 ILE CG1 . 10100 1 365 . 1 1 36 36 ILE CG2 C 13 19.625 0.300 . 1 . . . . 36 ILE CG2 . 10100 1 366 . 1 1 36 36 ILE CD1 C 13 12.819 0.300 . 1 . . . . 36 ILE CD1 . 10100 1 367 . 1 1 36 36 ILE N N 15 124.492 0.300 . 1 . . . . 36 ILE N . 10100 1 368 . 1 1 37 37 LEU H H 1 8.837 0.030 . 1 . . . . 37 LEU H . 10100 1 369 . 1 1 37 37 LEU HA H 1 5.398 0.030 . 1 . . . . 37 LEU HA . 10100 1 370 . 1 1 37 37 LEU HB2 H 1 1.522 0.030 . 2 . . . . 37 LEU HB2 . 10100 1 371 . 1 1 37 37 LEU HB3 H 1 1.277 0.030 . 2 . . . . 37 LEU HB3 . 10100 1 372 . 1 1 37 37 LEU HG H 1 1.568 0.030 . 1 . . . . 37 LEU HG . 10100 1 373 . 1 1 37 37 LEU HD11 H 1 0.885 0.030 . 1 . . . . 37 LEU HD1 . 10100 1 374 . 1 1 37 37 LEU HD12 H 1 0.885 0.030 . 1 . . . . 37 LEU HD1 . 10100 1 375 . 1 1 37 37 LEU HD13 H 1 0.885 0.030 . 1 . . . . 37 LEU HD1 . 10100 1 376 . 1 1 37 37 LEU HD21 H 1 0.809 0.030 . 1 . . . . 37 LEU HD2 . 10100 1 377 . 1 1 37 37 LEU HD22 H 1 0.809 0.030 . 1 . . . . 37 LEU HD2 . 10100 1 378 . 1 1 37 37 LEU HD23 H 1 0.809 0.030 . 1 . . . . 37 LEU HD2 . 10100 1 379 . 1 1 37 37 LEU C C 13 177.046 0.300 . 1 . . . . 37 LEU C . 10100 1 380 . 1 1 37 37 LEU CA C 13 52.682 0.300 . 1 . . . . 37 LEU CA . 10100 1 381 . 1 1 37 37 LEU CB C 13 46.003 0.300 . 1 . . . . 37 LEU CB . 10100 1 382 . 1 1 37 37 LEU CG C 13 27.157 0.300 . 1 . . . . 37 LEU CG . 10100 1 383 . 1 1 37 37 LEU CD1 C 13 25.552 0.300 . 2 . . . . 37 LEU CD1 . 10100 1 384 . 1 1 37 37 LEU CD2 C 13 23.638 0.300 . 2 . . . . 37 LEU CD2 . 10100 1 385 . 1 1 37 37 LEU N N 15 126.136 0.300 . 1 . . . . 37 LEU N . 10100 1 386 . 1 1 38 38 ILE H H 1 8.900 0.030 . 1 . . . . 38 ILE H . 10100 1 387 . 1 1 38 38 ILE HA H 1 4.217 0.030 . 1 . . . . 38 ILE HA . 10100 1 388 . 1 1 38 38 ILE HB H 1 2.298 0.030 . 1 . . . . 38 ILE HB . 10100 1 389 . 1 1 38 38 ILE HG12 H 1 1.485 0.030 . 2 . . . . 38 ILE HG12 . 10100 1 390 . 1 1 38 38 ILE HG13 H 1 1.200 0.030 . 2 . . . . 38 ILE HG13 . 10100 1 391 . 1 1 38 38 ILE HG21 H 1 0.746 0.030 . 1 . . . . 38 ILE HG2 . 10100 1 392 . 1 1 38 38 ILE HG22 H 1 0.746 0.030 . 1 . . . . 38 ILE HG2 . 10100 1 393 . 1 1 38 38 ILE HG23 H 1 0.746 0.030 . 1 . . . . 38 ILE HG2 . 10100 1 394 . 1 1 38 38 ILE HD11 H 1 0.373 0.030 . 1 . . . . 38 ILE HD1 . 10100 1 395 . 1 1 38 38 ILE HD12 H 1 0.373 0.030 . 1 . . . . 38 ILE HD1 . 10100 1 396 . 1 1 38 38 ILE HD13 H 1 0.373 0.030 . 1 . . . . 38 ILE HD1 . 10100 1 397 . 1 1 38 38 ILE C C 13 177.051 0.300 . 1 . . . . 38 ILE C . 10100 1 398 . 1 1 38 38 ILE CA C 13 59.918 0.300 . 1 . . . . 38 ILE CA . 10100 1 399 . 1 1 38 38 ILE CB C 13 35.247 0.300 . 1 . . . . 38 ILE CB . 10100 1 400 . 1 1 38 38 ILE CG1 C 13 27.034 0.300 . 1 . . . . 38 ILE CG1 . 10100 1 401 . 1 1 38 38 ILE CG2 C 13 17.093 0.300 . 1 . . . . 38 ILE CG2 . 10100 1 402 . 1 1 38 38 ILE CD1 C 13 10.363 0.300 . 1 . . . . 38 ILE CD1 . 10100 1 403 . 1 1 38 38 ILE N N 15 118.792 0.300 . 1 . . . . 38 ILE N . 10100 1 404 . 1 1 39 39 GLY H H 1 9.244 0.030 . 1 . . . . 39 GLY H . 10100 1 405 . 1 1 39 39 GLY HA2 H 1 4.335 0.030 . 2 . . . . 39 GLY HA2 . 10100 1 406 . 1 1 39 39 GLY HA3 H 1 3.380 0.030 . 2 . . . . 39 GLY HA3 . 10100 1 407 . 1 1 39 39 GLY C C 13 171.570 0.300 . 1 . . . . 39 GLY C . 10100 1 408 . 1 1 39 39 GLY CA C 13 45.181 0.300 . 1 . . . . 39 GLY CA . 10100 1 409 . 1 1 39 39 GLY N N 15 119.577 0.300 . 1 . . . . 39 GLY N . 10100 1 410 . 1 1 40 40 ALA H H 1 7.714 0.030 . 1 . . . . 40 ALA H . 10100 1 411 . 1 1 40 40 ALA HA H 1 4.236 0.030 . 1 . . . . 40 ALA HA . 10100 1 412 . 1 1 40 40 ALA HB1 H 1 1.282 0.030 . 1 . . . . 40 ALA HB . 10100 1 413 . 1 1 40 40 ALA HB2 H 1 1.282 0.030 . 1 . . . . 40 ALA HB . 10100 1 414 . 1 1 40 40 ALA HB3 H 1 1.282 0.030 . 1 . . . . 40 ALA HB . 10100 1 415 . 1 1 40 40 ALA C C 13 176.402 0.300 . 1 . . . . 40 ALA C . 10100 1 416 . 1 1 40 40 ALA CA C 13 52.685 0.300 . 1 . . . . 40 ALA CA . 10100 1 417 . 1 1 40 40 ALA CB C 13 20.360 0.300 . 1 . . . . 40 ALA CB . 10100 1 418 . 1 1 40 40 ALA N N 15 120.992 0.300 . 1 . . . . 40 ALA N . 10100 1 419 . 1 1 41 41 VAL H H 1 8.549 0.030 . 1 . . . . 41 VAL H . 10100 1 420 . 1 1 41 41 VAL HA H 1 4.293 0.030 . 1 . . . . 41 VAL HA . 10100 1 421 . 1 1 41 41 VAL HB H 1 1.975 0.030 . 1 . . . . 41 VAL HB . 10100 1 422 . 1 1 41 41 VAL HG11 H 1 0.912 0.030 . 1 . . . . 41 VAL HG1 . 10100 1 423 . 1 1 41 41 VAL HG12 H 1 0.912 0.030 . 1 . . . . 41 VAL HG1 . 10100 1 424 . 1 1 41 41 VAL HG13 H 1 0.912 0.030 . 1 . . . . 41 VAL HG1 . 10100 1 425 . 1 1 41 41 VAL HG21 H 1 0.737 0.030 . 1 . . . . 41 VAL HG2 . 10100 1 426 . 1 1 41 41 VAL HG22 H 1 0.737 0.030 . 1 . . . . 41 VAL HG2 . 10100 1 427 . 1 1 41 41 VAL HG23 H 1 0.737 0.030 . 1 . . . . 41 VAL HG2 . 10100 1 428 . 1 1 41 41 VAL C C 13 175.720 0.300 . 1 . . . . 41 VAL C . 10100 1 429 . 1 1 41 41 VAL CA C 13 62.305 0.300 . 1 . . . . 41 VAL CA . 10100 1 430 . 1 1 41 41 VAL CB C 13 32.831 0.300 . 1 . . . . 41 VAL CB . 10100 1 431 . 1 1 41 41 VAL CG1 C 13 21.564 0.300 . 2 . . . . 41 VAL CG1 . 10100 1 432 . 1 1 41 41 VAL CG2 C 13 20.751 0.300 . 2 . . . . 41 VAL CG2 . 10100 1 433 . 1 1 41 41 VAL N N 15 121.892 0.300 . 1 . . . . 41 VAL N . 10100 1 434 . 1 1 42 42 ILE H H 1 7.806 0.030 . 1 . . . . 42 ILE H . 10100 1 435 . 1 1 42 42 ILE HA H 1 3.932 0.030 . 1 . . . . 42 ILE HA . 10100 1 436 . 1 1 42 42 ILE HB H 1 1.690 0.030 . 1 . . . . 42 ILE HB . 10100 1 437 . 1 1 42 42 ILE HG12 H 1 1.393 0.030 . 2 . . . . 42 ILE HG12 . 10100 1 438 . 1 1 42 42 ILE HG13 H 1 1.175 0.030 . 2 . . . . 42 ILE HG13 . 10100 1 439 . 1 1 42 42 ILE HG21 H 1 0.945 0.030 . 1 . . . . 42 ILE HG2 . 10100 1 440 . 1 1 42 42 ILE HG22 H 1 0.945 0.030 . 1 . . . . 42 ILE HG2 . 10100 1 441 . 1 1 42 42 ILE HG23 H 1 0.945 0.030 . 1 . . . . 42 ILE HG2 . 10100 1 442 . 1 1 42 42 ILE HD11 H 1 0.725 0.030 . 1 . . . . 42 ILE HD1 . 10100 1 443 . 1 1 42 42 ILE HD12 H 1 0.725 0.030 . 1 . . . . 42 ILE HD1 . 10100 1 444 . 1 1 42 42 ILE HD13 H 1 0.725 0.030 . 1 . . . . 42 ILE HD1 . 10100 1 445 . 1 1 42 42 ILE C C 13 176.687 0.300 . 1 . . . . 42 ILE C . 10100 1 446 . 1 1 42 42 ILE CA C 13 60.809 0.300 . 1 . . . . 42 ILE CA . 10100 1 447 . 1 1 42 42 ILE CB C 13 37.787 0.300 . 1 . . . . 42 ILE CB . 10100 1 448 . 1 1 42 42 ILE CG1 C 13 27.872 0.300 . 1 . . . . 42 ILE CG1 . 10100 1 449 . 1 1 42 42 ILE CG2 C 13 17.372 0.300 . 1 . . . . 42 ILE CG2 . 10100 1 450 . 1 1 42 42 ILE CD1 C 13 11.691 0.300 . 1 . . . . 42 ILE CD1 . 10100 1 451 . 1 1 42 42 ILE N N 15 127.209 0.300 . 1 . . . . 42 ILE N . 10100 1 452 . 1 1 43 43 ALA H H 1 9.044 0.030 . 1 . . . . 43 ALA H . 10100 1 453 . 1 1 43 43 ALA HA H 1 4.076 0.030 . 1 . . . . 43 ALA HA . 10100 1 454 . 1 1 43 43 ALA HB1 H 1 1.423 0.030 . 1 . . . . 43 ALA HB . 10100 1 455 . 1 1 43 43 ALA HB2 H 1 1.423 0.030 . 1 . . . . 43 ALA HB . 10100 1 456 . 1 1 43 43 ALA HB3 H 1 1.423 0.030 . 1 . . . . 43 ALA HB . 10100 1 457 . 1 1 43 43 ALA CA C 13 54.189 0.300 . 1 . . . . 43 ALA CA . 10100 1 458 . 1 1 43 43 ALA CB C 13 18.195 0.300 . 1 . . . . 43 ALA CB . 10100 1 459 . 1 1 44 44 MET H H 1 9.640 0.030 . 1 . . . . 44 MET H . 10100 1 460 . 1 1 44 44 MET HA H 1 4.037 0.030 . 1 . . . . 44 MET HA . 10100 1 461 . 1 1 44 44 MET HB2 H 1 2.282 0.030 . 2 . . . . 44 MET HB2 . 10100 1 462 . 1 1 44 44 MET HB3 H 1 2.505 0.030 . 2 . . . . 44 MET HB3 . 10100 1 463 . 1 1 44 44 MET HG2 H 1 2.651 0.030 . 2 . . . . 44 MET HG2 . 10100 1 464 . 1 1 44 44 MET HG3 H 1 2.464 0.030 . 2 . . . . 44 MET HG3 . 10100 1 465 . 1 1 44 44 MET HE1 H 1 2.101 0.030 . 1 . . . . 44 MET HE . 10100 1 466 . 1 1 44 44 MET HE2 H 1 2.101 0.030 . 1 . . . . 44 MET HE . 10100 1 467 . 1 1 44 44 MET HE3 H 1 2.101 0.030 . 1 . . . . 44 MET HE . 10100 1 468 . 1 1 44 44 MET CA C 13 57.116 0.300 . 1 . . . . 44 MET CA . 10100 1 469 . 1 1 44 44 MET CB C 13 29.456 0.300 . 1 . . . . 44 MET CB . 10100 1 470 . 1 1 44 44 MET CG C 13 32.942 0.300 . 1 . . . . 44 MET CG . 10100 1 471 . 1 1 44 44 MET CE C 13 16.881 0.300 . 1 . . . . 44 MET CE . 10100 1 472 . 1 1 45 45 GLY H H 1 7.888 0.030 . 1 . . . . 45 GLY H . 10100 1 473 . 1 1 45 45 GLY HA2 H 1 4.419 0.030 . 2 . . . . 45 GLY HA2 . 10100 1 474 . 1 1 45 45 GLY HA3 H 1 3.878 0.030 . 2 . . . . 45 GLY HA3 . 10100 1 475 . 1 1 45 45 GLY C C 13 174.056 0.300 . 1 . . . . 45 GLY C . 10100 1 476 . 1 1 45 45 GLY CA C 13 44.981 0.300 . 1 . . . . 45 GLY CA . 10100 1 477 . 1 1 45 45 GLY N N 15 107.029 0.300 . 1 . . . . 45 GLY N . 10100 1 478 . 1 1 46 46 SER H H 1 9.014 0.030 . 1 . . . . 46 SER H . 10100 1 479 . 1 1 46 46 SER HA H 1 4.165 0.030 . 1 . . . . 46 SER HA . 10100 1 480 . 1 1 46 46 SER HB2 H 1 4.105 0.030 . 2 . . . . 46 SER HB2 . 10100 1 481 . 1 1 46 46 SER HB3 H 1 4.216 0.030 . 2 . . . . 46 SER HB3 . 10100 1 482 . 1 1 46 46 SER CA C 13 61.944 0.300 . 1 . . . . 46 SER CA . 10100 1 483 . 1 1 46 46 SER CB C 13 63.478 0.300 . 1 . . . . 46 SER CB . 10100 1 484 . 1 1 46 46 SER N N 15 112.892 0.300 . 1 . . . . 46 SER N . 10100 1 485 . 1 1 47 47 ALA H H 1 7.909 0.030 . 1 . . . . 47 ALA H . 10100 1 486 . 1 1 47 47 ALA HA H 1 4.296 0.030 . 1 . . . . 47 ALA HA . 10100 1 487 . 1 1 47 47 ALA HB1 H 1 1.541 0.030 . 1 . . . . 47 ALA HB . 10100 1 488 . 1 1 47 47 ALA HB2 H 1 1.541 0.030 . 1 . . . . 47 ALA HB . 10100 1 489 . 1 1 47 47 ALA HB3 H 1 1.541 0.030 . 1 . . . . 47 ALA HB . 10100 1 490 . 1 1 47 47 ALA CA C 13 54.735 0.300 . 1 . . . . 47 ALA CA . 10100 1 491 . 1 1 47 47 ALA CB C 13 18.748 0.300 . 1 . . . . 47 ALA CB . 10100 1 492 . 1 1 47 47 ALA N N 15 120.328 0.300 . 1 . . . . 47 ALA N . 10100 1 493 . 1 1 48 48 ASP H H 1 9.675 0.030 . 1 . . . . 48 ASP H . 10100 1 494 . 1 1 48 48 ASP HA H 1 4.301 0.030 . 1 . . . . 48 ASP HA . 10100 1 495 . 1 1 48 48 ASP HB2 H 1 2.733 0.030 . 2 . . . . 48 ASP HB2 . 10100 1 496 . 1 1 48 48 ASP HB3 H 1 2.845 0.030 . 2 . . . . 48 ASP HB3 . 10100 1 497 . 1 1 48 48 ASP CA C 13 57.346 0.300 . 1 . . . . 48 ASP CA . 10100 1 498 . 1 1 48 48 ASP CB C 13 43.263 0.300 . 1 . . . . 48 ASP CB . 10100 1 499 . 1 1 48 48 ASP N N 15 124.482 0.300 . 1 . . . . 48 ASP N . 10100 1 500 . 1 1 49 49 ARG H H 1 8.491 0.030 . 1 . . . . 49 ARG H . 10100 1 501 . 1 1 49 49 ARG HA H 1 3.955 0.030 . 1 . . . . 49 ARG HA . 10100 1 502 . 1 1 49 49 ARG HB2 H 1 1.805 0.030 . 2 . . . . 49 ARG HB2 . 10100 1 503 . 1 1 49 49 ARG HB3 H 1 1.916 0.030 . 2 . . . . 49 ARG HB3 . 10100 1 504 . 1 1 49 49 ARG HG2 H 1 1.696 0.030 . 1 . . . . 49 ARG HG2 . 10100 1 505 . 1 1 49 49 ARG HG3 H 1 1.696 0.030 . 1 . . . . 49 ARG HG3 . 10100 1 506 . 1 1 49 49 ARG HD2 H 1 3.077 0.030 . 1 . . . . 49 ARG HD2 . 10100 1 507 . 1 1 49 49 ARG HD3 H 1 3.077 0.030 . 1 . . . . 49 ARG HD3 . 10100 1 508 . 1 1 49 49 ARG C C 13 178.674 0.300 . 1 . . . . 49 ARG C . 10100 1 509 . 1 1 49 49 ARG CA C 13 58.777 0.300 . 1 . . . . 49 ARG CA . 10100 1 510 . 1 1 49 49 ARG CB C 13 30.098 0.300 . 1 . . . . 49 ARG CB . 10100 1 511 . 1 1 49 49 ARG CG C 13 27.993 0.300 . 1 . . . . 49 ARG CG . 10100 1 512 . 1 1 49 49 ARG CD C 13 43.573 0.300 . 1 . . . . 49 ARG CD . 10100 1 513 . 1 1 49 49 ARG N N 15 117.104 0.300 . 1 . . . . 49 ARG N . 10100 1 514 . 1 1 50 50 ASP H H 1 7.951 0.030 . 1 . . . . 50 ASP H . 10100 1 515 . 1 1 50 50 ASP HA H 1 4.457 0.030 . 1 . . . . 50 ASP HA . 10100 1 516 . 1 1 50 50 ASP HB2 H 1 2.587 0.030 . 2 . . . . 50 ASP HB2 . 10100 1 517 . 1 1 50 50 ASP HB3 H 1 2.810 0.030 . 2 . . . . 50 ASP HB3 . 10100 1 518 . 1 1 50 50 ASP C C 13 177.773 0.300 . 1 . . . . 50 ASP C . 10100 1 519 . 1 1 50 50 ASP CA C 13 57.044 0.300 . 1 . . . . 50 ASP CA . 10100 1 520 . 1 1 50 50 ASP CB C 13 43.851 0.300 . 1 . . . . 50 ASP CB . 10100 1 521 . 1 1 50 50 ASP N N 15 117.992 0.300 . 1 . . . . 50 ASP N . 10100 1 522 . 1 1 51 51 GLY H H 1 7.577 0.030 . 1 . . . . 51 GLY H . 10100 1 523 . 1 1 51 51 GLY HA2 H 1 4.058 0.030 . 1 . . . . 51 GLY HA2 . 10100 1 524 . 1 1 51 51 GLY HA3 H 1 4.058 0.030 . 1 . . . . 51 GLY HA3 . 10100 1 525 . 1 1 51 51 GLY C C 13 174.798 0.300 . 1 . . . . 51 GLY C . 10100 1 526 . 1 1 51 51 GLY CA C 13 46.522 0.300 . 1 . . . . 51 GLY CA . 10100 1 527 . 1 1 51 51 GLY N N 15 103.849 0.300 . 1 . . . . 51 GLY N . 10100 1 528 . 1 1 52 52 ARG H H 1 7.832 0.030 . 1 . . . . 52 ARG H . 10100 1 529 . 1 1 52 52 ARG HA H 1 4.283 0.030 . 1 . . . . 52 ARG HA . 10100 1 530 . 1 1 52 52 ARG HB2 H 1 1.526 0.030 . 2 . . . . 52 ARG HB2 . 10100 1 531 . 1 1 52 52 ARG HB3 H 1 1.984 0.030 . 2 . . . . 52 ARG HB3 . 10100 1 532 . 1 1 52 52 ARG HG2 H 1 1.737 0.030 . 1 . . . . 52 ARG HG2 . 10100 1 533 . 1 1 52 52 ARG HG3 H 1 1.737 0.030 . 1 . . . . 52 ARG HG3 . 10100 1 534 . 1 1 52 52 ARG HD2 H 1 3.448 0.030 . 2 . . . . 52 ARG HD2 . 10100 1 535 . 1 1 52 52 ARG HD3 H 1 3.142 0.030 . 2 . . . . 52 ARG HD3 . 10100 1 536 . 1 1 52 52 ARG HE H 1 7.707 0.030 . 1 . . . . 52 ARG HE . 10100 1 537 . 1 1 52 52 ARG C C 13 176.855 0.300 . 1 . . . . 52 ARG C . 10100 1 538 . 1 1 52 52 ARG CA C 13 58.644 0.300 . 1 . . . . 52 ARG CA . 10100 1 539 . 1 1 52 52 ARG CB C 13 33.530 0.300 . 1 . . . . 52 ARG CB . 10100 1 540 . 1 1 52 52 ARG CG C 13 27.751 0.300 . 1 . . . . 52 ARG CG . 10100 1 541 . 1 1 52 52 ARG CD C 13 44.160 0.300 . 1 . . . . 52 ARG CD . 10100 1 542 . 1 1 52 52 ARG N N 15 118.442 0.300 . 1 . . . . 52 ARG N . 10100 1 543 . 1 1 53 53 LEU H H 1 9.040 0.030 . 1 . . . . 53 LEU H . 10100 1 544 . 1 1 53 53 LEU HA H 1 3.907 0.030 . 1 . . . . 53 LEU HA . 10100 1 545 . 1 1 53 53 LEU HB2 H 1 1.082 0.030 . 2 . . . . 53 LEU HB2 . 10100 1 546 . 1 1 53 53 LEU HB3 H 1 1.413 0.030 . 2 . . . . 53 LEU HB3 . 10100 1 547 . 1 1 53 53 LEU HG H 1 1.570 0.030 . 1 . . . . 53 LEU HG . 10100 1 548 . 1 1 53 53 LEU HD11 H 1 0.393 0.030 . 1 . . . . 53 LEU HD1 . 10100 1 549 . 1 1 53 53 LEU HD12 H 1 0.393 0.030 . 1 . . . . 53 LEU HD1 . 10100 1 550 . 1 1 53 53 LEU HD13 H 1 0.393 0.030 . 1 . . . . 53 LEU HD1 . 10100 1 551 . 1 1 53 53 LEU HD21 H 1 0.377 0.030 . 1 . . . . 53 LEU HD2 . 10100 1 552 . 1 1 53 53 LEU HD22 H 1 0.377 0.030 . 1 . . . . 53 LEU HD2 . 10100 1 553 . 1 1 53 53 LEU HD23 H 1 0.377 0.030 . 1 . . . . 53 LEU HD2 . 10100 1 554 . 1 1 53 53 LEU CA C 13 55.051 0.300 . 1 . . . . 53 LEU CA . 10100 1 555 . 1 1 53 53 LEU CB C 13 44.150 0.300 . 1 . . . . 53 LEU CB . 10100 1 556 . 1 1 53 53 LEU CG C 13 26.131 0.300 . 1 . . . . 53 LEU CG . 10100 1 557 . 1 1 53 53 LEU CD1 C 13 24.831 0.300 . 2 . . . . 53 LEU CD1 . 10100 1 558 . 1 1 53 53 LEU CD2 C 13 25.871 0.300 . 2 . . . . 53 LEU CD2 . 10100 1 559 . 1 1 53 53 LEU N N 15 133.985 0.300 . 1 . . . . 53 LEU N . 10100 1 560 . 1 1 54 54 HIS H H 1 8.800 0.030 . 1 . . . . 54 HIS H . 10100 1 561 . 1 1 54 54 HIS HA H 1 5.250 0.030 . 1 . . . . 54 HIS HA . 10100 1 562 . 1 1 54 54 HIS HB2 H 1 3.032 0.030 . 1 . . . . 54 HIS HB2 . 10100 1 563 . 1 1 54 54 HIS HB3 H 1 3.032 0.030 . 1 . . . . 54 HIS HB3 . 10100 1 564 . 1 1 54 54 HIS HD2 H 1 6.884 0.030 . 1 . . . . 54 HIS HD2 . 10100 1 565 . 1 1 54 54 HIS C C 13 172.089 0.300 . 1 . . . . 54 HIS C . 10100 1 566 . 1 1 54 54 HIS CA C 13 51.152 0.300 . 1 . . . . 54 HIS CA . 10100 1 567 . 1 1 54 54 HIS CB C 13 31.749 0.300 . 1 . . . . 54 HIS CB . 10100 1 568 . 1 1 54 54 HIS CD2 C 13 118.767 0.300 . 1 . . . . 54 HIS CD2 . 10100 1 569 . 1 1 54 54 HIS N N 15 121.162 0.300 . 1 . . . . 54 HIS N . 10100 1 570 . 1 1 55 55 PRO HA H 1 4.225 0.030 . 1 . . . . 55 PRO HA . 10100 1 571 . 1 1 55 55 PRO HB2 H 1 2.185 0.030 . 2 . . . . 55 PRO HB2 . 10100 1 572 . 1 1 55 55 PRO HB3 H 1 1.837 0.030 . 2 . . . . 55 PRO HB3 . 10100 1 573 . 1 1 55 55 PRO HG2 H 1 2.016 0.030 . 2 . . . . 55 PRO HG2 . 10100 1 574 . 1 1 55 55 PRO HG3 H 1 2.168 0.030 . 2 . . . . 55 PRO HG3 . 10100 1 575 . 1 1 55 55 PRO HD2 H 1 3.498 0.030 . 2 . . . . 55 PRO HD2 . 10100 1 576 . 1 1 55 55 PRO HD3 H 1 3.766 0.030 . 2 . . . . 55 PRO HD3 . 10100 1 577 . 1 1 55 55 PRO CA C 13 63.466 0.300 . 1 . . . . 55 PRO CA . 10100 1 578 . 1 1 55 55 PRO CB C 13 31.620 0.300 . 1 . . . . 55 PRO CB . 10100 1 579 . 1 1 55 55 PRO CG C 13 28.405 0.300 . 1 . . . . 55 PRO CG . 10100 1 580 . 1 1 55 55 PRO CD C 13 50.951 0.300 . 1 . . . . 55 PRO CD . 10100 1 581 . 1 1 56 56 GLY H H 1 9.598 0.030 . 1 . . . . 56 GLY H . 10100 1 582 . 1 1 56 56 GLY HA2 H 1 4.538 0.030 . 2 . . . . 56 GLY HA2 . 10100 1 583 . 1 1 56 56 GLY HA3 H 1 3.555 0.030 . 2 . . . . 56 GLY HA3 . 10100 1 584 . 1 1 56 56 GLY C C 13 174.231 0.300 . 1 . . . . 56 GLY C . 10100 1 585 . 1 1 56 56 GLY CA C 13 44.956 0.300 . 1 . . . . 56 GLY CA . 10100 1 586 . 1 1 56 56 GLY N N 15 114.970 0.300 . 1 . . . . 56 GLY N . 10100 1 587 . 1 1 57 57 ASP H H 1 7.833 0.030 . 1 . . . . 57 ASP H . 10100 1 588 . 1 1 57 57 ASP HA H 1 4.617 0.030 . 1 . . . . 57 ASP HA . 10100 1 589 . 1 1 57 57 ASP HB2 H 1 2.605 0.030 . 2 . . . . 57 ASP HB2 . 10100 1 590 . 1 1 57 57 ASP HB3 H 1 2.273 0.030 . 2 . . . . 57 ASP HB3 . 10100 1 591 . 1 1 57 57 ASP C C 13 174.795 0.300 . 1 . . . . 57 ASP C . 10100 1 592 . 1 1 57 57 ASP CA C 13 55.722 0.300 . 1 . . . . 57 ASP CA . 10100 1 593 . 1 1 57 57 ASP CB C 13 40.804 0.300 . 1 . . . . 57 ASP CB . 10100 1 594 . 1 1 57 57 ASP N N 15 122.642 0.300 . 1 . . . . 57 ASP N . 10100 1 595 . 1 1 58 58 GLU H H 1 8.891 0.030 . 1 . . . . 58 GLU H . 10100 1 596 . 1 1 58 58 GLU HA H 1 4.919 0.030 . 1 . . . . 58 GLU HA . 10100 1 597 . 1 1 58 58 GLU HB2 H 1 1.885 0.030 . 2 . . . . 58 GLU HB2 . 10100 1 598 . 1 1 58 58 GLU HB3 H 1 1.968 0.030 . 2 . . . . 58 GLU HB3 . 10100 1 599 . 1 1 58 58 GLU HG2 H 1 1.996 0.030 . 2 . . . . 58 GLU HG2 . 10100 1 600 . 1 1 58 58 GLU HG3 H 1 2.427 0.030 . 2 . . . . 58 GLU HG3 . 10100 1 601 . 1 1 58 58 GLU C C 13 176.499 0.300 . 1 . . . . 58 GLU C . 10100 1 602 . 1 1 58 58 GLU CA C 13 54.708 0.300 . 1 . . . . 58 GLU CA . 10100 1 603 . 1 1 58 58 GLU CB C 13 31.161 0.300 . 1 . . . . 58 GLU CB . 10100 1 604 . 1 1 58 58 GLU CG C 13 35.816 0.300 . 1 . . . . 58 GLU CG . 10100 1 605 . 1 1 58 58 GLU N N 15 121.750 0.300 . 1 . . . . 58 GLU N . 10100 1 606 . 1 1 59 59 LEU H H 1 8.991 0.030 . 1 . . . . 59 LEU H . 10100 1 607 . 1 1 59 59 LEU HA H 1 4.254 0.030 . 1 . . . . 59 LEU HA . 10100 1 608 . 1 1 59 59 LEU HB2 H 1 1.493 0.030 . 2 . . . . 59 LEU HB2 . 10100 1 609 . 1 1 59 59 LEU HB3 H 1 1.223 0.030 . 2 . . . . 59 LEU HB3 . 10100 1 610 . 1 1 59 59 LEU HG H 1 1.369 0.030 . 1 . . . . 59 LEU HG . 10100 1 611 . 1 1 59 59 LEU HD11 H 1 0.720 0.030 . 1 . . . . 59 LEU HD1 . 10100 1 612 . 1 1 59 59 LEU HD12 H 1 0.720 0.030 . 1 . . . . 59 LEU HD1 . 10100 1 613 . 1 1 59 59 LEU HD13 H 1 0.720 0.030 . 1 . . . . 59 LEU HD1 . 10100 1 614 . 1 1 59 59 LEU HD21 H 1 0.837 0.030 . 1 . . . . 59 LEU HD2 . 10100 1 615 . 1 1 59 59 LEU HD22 H 1 0.837 0.030 . 1 . . . . 59 LEU HD2 . 10100 1 616 . 1 1 59 59 LEU HD23 H 1 0.837 0.030 . 1 . . . . 59 LEU HD2 . 10100 1 617 . 1 1 59 59 LEU C C 13 174.771 0.300 . 1 . . . . 59 LEU C . 10100 1 618 . 1 1 59 59 LEU CA C 13 56.174 0.300 . 1 . . . . 59 LEU CA . 10100 1 619 . 1 1 59 59 LEU CB C 13 43.407 0.300 . 1 . . . . 59 LEU CB . 10100 1 620 . 1 1 59 59 LEU CG C 13 27.651 0.300 . 1 . . . . 59 LEU CG . 10100 1 621 . 1 1 59 59 LEU CD1 C 13 26.011 0.300 . 2 . . . . 59 LEU CD1 . 10100 1 622 . 1 1 59 59 LEU CD2 C 13 25.104 0.300 . 2 . . . . 59 LEU CD2 . 10100 1 623 . 1 1 59 59 LEU N N 15 127.972 0.300 . 1 . . . . 59 LEU N . 10100 1 624 . 1 1 60 60 VAL H H 1 8.621 0.030 . 1 . . . . 60 VAL H . 10100 1 625 . 1 1 60 60 VAL HA H 1 4.169 0.030 . 1 . . . . 60 VAL HA . 10100 1 626 . 1 1 60 60 VAL HB H 1 1.637 0.030 . 1 . . . . 60 VAL HB . 10100 1 627 . 1 1 60 60 VAL HG11 H 1 0.533 0.030 . 1 . . . . 60 VAL HG1 . 10100 1 628 . 1 1 60 60 VAL HG12 H 1 0.533 0.030 . 1 . . . . 60 VAL HG1 . 10100 1 629 . 1 1 60 60 VAL HG13 H 1 0.533 0.030 . 1 . . . . 60 VAL HG1 . 10100 1 630 . 1 1 60 60 VAL HG21 H 1 0.727 0.030 . 1 . . . . 60 VAL HG2 . 10100 1 631 . 1 1 60 60 VAL HG22 H 1 0.727 0.030 . 1 . . . . 60 VAL HG2 . 10100 1 632 . 1 1 60 60 VAL HG23 H 1 0.727 0.030 . 1 . . . . 60 VAL HG2 . 10100 1 633 . 1 1 60 60 VAL C C 13 177.254 0.300 . 1 . . . . 60 VAL C . 10100 1 634 . 1 1 60 60 VAL CA C 13 63.473 0.300 . 1 . . . . 60 VAL CA . 10100 1 635 . 1 1 60 60 VAL CB C 13 33.921 0.300 . 1 . . . . 60 VAL CB . 10100 1 636 . 1 1 60 60 VAL CG1 C 13 22.005 0.300 . 2 . . . . 60 VAL CG1 . 10100 1 637 . 1 1 60 60 VAL CG2 C 13 20.327 0.300 . 2 . . . . 60 VAL CG2 . 10100 1 638 . 1 1 60 60 VAL N N 15 119.532 0.300 . 1 . . . . 60 VAL N . 10100 1 639 . 1 1 61 61 TYR H H 1 7.936 0.030 . 1 . . . . 61 TYR H . 10100 1 640 . 1 1 61 61 TYR HA H 1 5.535 0.030 . 1 . . . . 61 TYR HA . 10100 1 641 . 1 1 61 61 TYR HB2 H 1 2.595 0.030 . 2 . . . . 61 TYR HB2 . 10100 1 642 . 1 1 61 61 TYR HB3 H 1 2.770 0.030 . 2 . . . . 61 TYR HB3 . 10100 1 643 . 1 1 61 61 TYR HD1 H 1 6.692 0.030 . 1 . . . . 61 TYR HD1 . 10100 1 644 . 1 1 61 61 TYR HD2 H 1 6.692 0.030 . 1 . . . . 61 TYR HD2 . 10100 1 645 . 1 1 61 61 TYR HE1 H 1 6.766 0.030 . 1 . . . . 61 TYR HE1 . 10100 1 646 . 1 1 61 61 TYR HE2 H 1 6.766 0.030 . 1 . . . . 61 TYR HE2 . 10100 1 647 . 1 1 61 61 TYR C C 13 175.084 0.300 . 1 . . . . 61 TYR C . 10100 1 648 . 1 1 61 61 TYR CA C 13 57.255 0.300 . 1 . . . . 61 TYR CA . 10100 1 649 . 1 1 61 61 TYR CB C 13 43.573 0.300 . 1 . . . . 61 TYR CB . 10100 1 650 . 1 1 61 61 TYR CD1 C 13 132.685 0.300 . 1 . . . . 61 TYR CD1 . 10100 1 651 . 1 1 61 61 TYR CD2 C 13 132.685 0.300 . 1 . . . . 61 TYR CD2 . 10100 1 652 . 1 1 61 61 TYR CE1 C 13 118.276 0.300 . 1 . . . . 61 TYR CE1 . 10100 1 653 . 1 1 61 61 TYR CE2 C 13 118.276 0.300 . 1 . . . . 61 TYR CE2 . 10100 1 654 . 1 1 61 61 TYR N N 15 117.469 0.300 . 1 . . . . 61 TYR N . 10100 1 655 . 1 1 62 62 VAL H H 1 8.576 0.030 . 1 . . . . 62 VAL H . 10100 1 656 . 1 1 62 62 VAL HA H 1 4.368 0.030 . 1 . . . . 62 VAL HA . 10100 1 657 . 1 1 62 62 VAL HB H 1 1.958 0.030 . 1 . . . . 62 VAL HB . 10100 1 658 . 1 1 62 62 VAL HG11 H 1 0.825 0.030 . 1 . . . . 62 VAL HG1 . 10100 1 659 . 1 1 62 62 VAL HG12 H 1 0.825 0.030 . 1 . . . . 62 VAL HG1 . 10100 1 660 . 1 1 62 62 VAL HG13 H 1 0.825 0.030 . 1 . . . . 62 VAL HG1 . 10100 1 661 . 1 1 62 62 VAL HG21 H 1 0.725 0.030 . 1 . . . . 62 VAL HG2 . 10100 1 662 . 1 1 62 62 VAL HG22 H 1 0.725 0.030 . 1 . . . . 62 VAL HG2 . 10100 1 663 . 1 1 62 62 VAL HG23 H 1 0.725 0.030 . 1 . . . . 62 VAL HG2 . 10100 1 664 . 1 1 62 62 VAL C C 13 174.864 0.300 . 1 . . . . 62 VAL C . 10100 1 665 . 1 1 62 62 VAL CA C 13 61.825 0.300 . 1 . . . . 62 VAL CA . 10100 1 666 . 1 1 62 62 VAL CB C 13 33.940 0.300 . 1 . . . . 62 VAL CB . 10100 1 667 . 1 1 62 62 VAL CG1 C 13 21.744 0.300 . 2 . . . . 62 VAL CG1 . 10100 1 668 . 1 1 62 62 VAL CG2 C 13 20.951 0.300 . 2 . . . . 62 VAL CG2 . 10100 1 669 . 1 1 62 62 VAL N N 15 119.692 0.300 . 1 . . . . 62 VAL N . 10100 1 670 . 1 1 63 63 ASP H H 1 9.902 0.030 . 1 . . . . 63 ASP H . 10100 1 671 . 1 1 63 63 ASP HA H 1 4.456 0.030 . 1 . . . . 63 ASP HA . 10100 1 672 . 1 1 63 63 ASP HB2 H 1 3.008 0.030 . 2 . . . . 63 ASP HB2 . 10100 1 673 . 1 1 63 63 ASP HB3 H 1 2.739 0.030 . 2 . . . . 63 ASP HB3 . 10100 1 674 . 1 1 63 63 ASP C C 13 176.402 0.300 . 1 . . . . 63 ASP C . 10100 1 675 . 1 1 63 63 ASP CA C 13 56.047 0.300 . 1 . . . . 63 ASP CA . 10100 1 676 . 1 1 63 63 ASP CB C 13 39.353 0.300 . 1 . . . . 63 ASP CB . 10100 1 677 . 1 1 63 63 ASP N N 15 127.592 0.300 . 1 . . . . 63 ASP N . 10100 1 678 . 1 1 64 64 GLY H H 1 8.580 0.030 . 1 . . . . 64 GLY H . 10100 1 679 . 1 1 64 64 GLY HA2 H 1 4.095 0.030 . 2 . . . . 64 GLY HA2 . 10100 1 680 . 1 1 64 64 GLY HA3 H 1 3.406 0.030 . 2 . . . . 64 GLY HA3 . 10100 1 681 . 1 1 64 64 GLY C C 13 173.748 0.300 . 1 . . . . 64 GLY C . 10100 1 682 . 1 1 64 64 GLY CA C 13 45.277 0.300 . 1 . . . . 64 GLY CA . 10100 1 683 . 1 1 64 64 GLY N N 15 101.570 0.300 . 1 . . . . 64 GLY N . 10100 1 684 . 1 1 65 65 ILE H H 1 8.561 0.030 . 1 . . . . 65 ILE H . 10100 1 685 . 1 1 65 65 ILE HA H 1 4.637 0.030 . 1 . . . . 65 ILE HA . 10100 1 686 . 1 1 65 65 ILE HB H 1 2.454 0.030 . 1 . . . . 65 ILE HB . 10100 1 687 . 1 1 65 65 ILE HG12 H 1 1.632 0.030 . 2 . . . . 65 ILE HG12 . 10100 1 688 . 1 1 65 65 ILE HG13 H 1 1.292 0.030 . 2 . . . . 65 ILE HG13 . 10100 1 689 . 1 1 65 65 ILE HG21 H 1 1.094 0.030 . 1 . . . . 65 ILE HG2 . 10100 1 690 . 1 1 65 65 ILE HG22 H 1 1.094 0.030 . 1 . . . . 65 ILE HG2 . 10100 1 691 . 1 1 65 65 ILE HG23 H 1 1.094 0.030 . 1 . . . . 65 ILE HG2 . 10100 1 692 . 1 1 65 65 ILE HD11 H 1 0.951 0.030 . 1 . . . . 65 ILE HD1 . 10100 1 693 . 1 1 65 65 ILE HD12 H 1 0.951 0.030 . 1 . . . . 65 ILE HD1 . 10100 1 694 . 1 1 65 65 ILE HD13 H 1 0.951 0.030 . 1 . . . . 65 ILE HD1 . 10100 1 695 . 1 1 65 65 ILE C C 13 174.819 0.300 . 1 . . . . 65 ILE C . 10100 1 696 . 1 1 65 65 ILE CA C 13 57.745 0.300 . 1 . . . . 65 ILE CA . 10100 1 697 . 1 1 65 65 ILE CB C 13 38.483 0.300 . 1 . . . . 65 ILE CB . 10100 1 698 . 1 1 65 65 ILE CG1 C 13 27.601 0.300 . 1 . . . . 65 ILE CG1 . 10100 1 699 . 1 1 65 65 ILE CG2 C 13 17.051 0.300 . 1 . . . . 65 ILE CG2 . 10100 1 700 . 1 1 65 65 ILE CD1 C 13 12.425 0.300 . 1 . . . . 65 ILE CD1 . 10100 1 701 . 1 1 65 65 ILE N N 15 126.080 0.300 . 1 . . . . 65 ILE N . 10100 1 702 . 1 1 66 66 PRO HA H 1 4.552 0.030 . 1 . . . . 66 PRO HA . 10100 1 703 . 1 1 66 66 PRO HB2 H 1 2.118 0.030 . 2 . . . . 66 PRO HB2 . 10100 1 704 . 1 1 66 66 PRO HB3 H 1 2.036 0.030 . 2 . . . . 66 PRO HB3 . 10100 1 705 . 1 1 66 66 PRO HG2 H 1 2.218 0.030 . 2 . . . . 66 PRO HG2 . 10100 1 706 . 1 1 66 66 PRO HG3 H 1 2.249 0.030 . 2 . . . . 66 PRO HG3 . 10100 1 707 . 1 1 66 66 PRO HD2 H 1 4.043 0.030 . 2 . . . . 66 PRO HD2 . 10100 1 708 . 1 1 66 66 PRO HD3 H 1 4.123 0.030 . 2 . . . . 66 PRO HD3 . 10100 1 709 . 1 1 66 66 PRO CA C 13 62.367 0.300 . 1 . . . . 66 PRO CA . 10100 1 710 . 1 1 66 66 PRO CB C 13 31.785 0.300 . 1 . . . . 66 PRO CB . 10100 1 711 . 1 1 66 66 PRO CG C 13 27.387 0.300 . 1 . . . . 66 PRO CG . 10100 1 712 . 1 1 66 66 PRO CD C 13 51.344 0.300 . 1 . . . . 66 PRO CD . 10100 1 713 . 1 1 67 67 VAL H H 1 7.532 0.030 . 1 . . . . 67 VAL H . 10100 1 714 . 1 1 67 67 VAL HA H 1 4.295 0.030 . 1 . . . . 67 VAL HA . 10100 1 715 . 1 1 67 67 VAL HB H 1 2.242 0.030 . 1 . . . . 67 VAL HB . 10100 1 716 . 1 1 67 67 VAL HG11 H 1 0.867 0.030 . 1 . . . . 67 VAL HG1 . 10100 1 717 . 1 1 67 67 VAL HG12 H 1 0.867 0.030 . 1 . . . . 67 VAL HG1 . 10100 1 718 . 1 1 67 67 VAL HG13 H 1 0.867 0.030 . 1 . . . . 67 VAL HG1 . 10100 1 719 . 1 1 67 67 VAL HG21 H 1 0.505 0.030 . 1 . . . . 67 VAL HG2 . 10100 1 720 . 1 1 67 67 VAL HG22 H 1 0.505 0.030 . 1 . . . . 67 VAL HG2 . 10100 1 721 . 1 1 67 67 VAL HG23 H 1 0.505 0.030 . 1 . . . . 67 VAL HG2 . 10100 1 722 . 1 1 67 67 VAL C C 13 175.160 0.300 . 1 . . . . 67 VAL C . 10100 1 723 . 1 1 67 67 VAL CA C 13 60.702 0.300 . 1 . . . . 67 VAL CA . 10100 1 724 . 1 1 67 67 VAL CB C 13 32.051 0.300 . 1 . . . . 67 VAL CB . 10100 1 725 . 1 1 67 67 VAL CG1 C 13 22.553 0.300 . 2 . . . . 67 VAL CG1 . 10100 1 726 . 1 1 67 67 VAL CG2 C 13 19.251 0.300 . 2 . . . . 67 VAL CG2 . 10100 1 727 . 1 1 67 67 VAL N N 15 114.116 0.300 . 1 . . . . 67 VAL N . 10100 1 728 . 1 1 68 68 ALA H H 1 7.841 0.030 . 1 . . . . 68 ALA H . 10100 1 729 . 1 1 68 68 ALA HA H 1 4.282 0.030 . 1 . . . . 68 ALA HA . 10100 1 730 . 1 1 68 68 ALA HB1 H 1 1.312 0.030 . 1 . . . . 68 ALA HB . 10100 1 731 . 1 1 68 68 ALA HB2 H 1 1.312 0.030 . 1 . . . . 68 ALA HB . 10100 1 732 . 1 1 68 68 ALA HB3 H 1 1.312 0.030 . 1 . . . . 68 ALA HB . 10100 1 733 . 1 1 68 68 ALA C C 13 179.653 0.300 . 1 . . . . 68 ALA C . 10100 1 734 . 1 1 68 68 ALA CA C 13 53.746 0.300 . 1 . . . . 68 ALA CA . 10100 1 735 . 1 1 68 68 ALA CB C 13 17.777 0.300 . 1 . . . . 68 ALA CB . 10100 1 736 . 1 1 68 68 ALA N N 15 124.477 0.300 . 1 . . . . 68 ALA N . 10100 1 737 . 1 1 69 69 GLY H H 1 8.717 0.030 . 1 . . . . 69 GLY H . 10100 1 738 . 1 1 69 69 GLY HA2 H 1 4.120 0.030 . 2 . . . . 69 GLY HA2 . 10100 1 739 . 1 1 69 69 GLY HA3 H 1 3.596 0.030 . 2 . . . . 69 GLY HA3 . 10100 1 740 . 1 1 69 69 GLY C C 13 174.670 0.300 . 1 . . . . 69 GLY C . 10100 1 741 . 1 1 69 69 GLY CA C 13 45.882 0.300 . 1 . . . . 69 GLY CA . 10100 1 742 . 1 1 69 69 GLY N N 15 111.592 0.300 . 1 . . . . 69 GLY N . 10100 1 743 . 1 1 70 70 LYS H H 1 7.864 0.030 . 1 . . . . 70 LYS H . 10100 1 744 . 1 1 70 70 LYS HA H 1 4.530 0.030 . 1 . . . . 70 LYS HA . 10100 1 745 . 1 1 70 70 LYS HB2 H 1 1.961 0.030 . 2 . . . . 70 LYS HB2 . 10100 1 746 . 1 1 70 70 LYS HB3 H 1 1.688 0.030 . 2 . . . . 70 LYS HB3 . 10100 1 747 . 1 1 70 70 LYS HG2 H 1 1.053 0.030 . 2 . . . . 70 LYS HG2 . 10100 1 748 . 1 1 70 70 LYS HG3 H 1 1.017 0.030 . 2 . . . . 70 LYS HG3 . 10100 1 749 . 1 1 70 70 LYS HD2 H 1 1.199 0.030 . 2 . . . . 70 LYS HD2 . 10100 1 750 . 1 1 70 70 LYS HD3 H 1 0.745 0.030 . 2 . . . . 70 LYS HD3 . 10100 1 751 . 1 1 70 70 LYS HE2 H 1 2.546 0.030 . 2 . . . . 70 LYS HE2 . 10100 1 752 . 1 1 70 70 LYS HE3 H 1 2.667 0.030 . 2 . . . . 70 LYS HE3 . 10100 1 753 . 1 1 70 70 LYS C C 13 175.902 0.300 . 1 . . . . 70 LYS C . 10100 1 754 . 1 1 70 70 LYS CA C 13 53.329 0.300 . 1 . . . . 70 LYS CA . 10100 1 755 . 1 1 70 70 LYS CB C 13 32.508 0.300 . 1 . . . . 70 LYS CB . 10100 1 756 . 1 1 70 70 LYS CG C 13 24.994 0.300 . 1 . . . . 70 LYS CG . 10100 1 757 . 1 1 70 70 LYS CD C 13 27.334 0.300 . 1 . . . . 70 LYS CD . 10100 1 758 . 1 1 70 70 LYS CE C 13 42.324 0.300 . 1 . . . . 70 LYS CE . 10100 1 759 . 1 1 70 70 LYS N N 15 118.592 0.300 . 1 . . . . 70 LYS N . 10100 1 760 . 1 1 71 71 THR H H 1 7.689 0.030 . 1 . . . . 71 THR H . 10100 1 761 . 1 1 71 71 THR HA H 1 4.661 0.030 . 1 . . . . 71 THR HA . 10100 1 762 . 1 1 71 71 THR HB H 1 4.793 0.030 . 1 . . . . 71 THR HB . 10100 1 763 . 1 1 71 71 THR HG21 H 1 1.254 0.030 . 1 . . . . 71 THR HG2 . 10100 1 764 . 1 1 71 71 THR HG22 H 1 1.254 0.030 . 1 . . . . 71 THR HG2 . 10100 1 765 . 1 1 71 71 THR HG23 H 1 1.254 0.030 . 1 . . . . 71 THR HG2 . 10100 1 766 . 1 1 71 71 THR C C 13 175.421 0.300 . 1 . . . . 71 THR C . 10100 1 767 . 1 1 71 71 THR CA C 13 60.631 0.300 . 1 . . . . 71 THR CA . 10100 1 768 . 1 1 71 71 THR CB C 13 71.760 0.300 . 1 . . . . 71 THR CB . 10100 1 769 . 1 1 71 71 THR CG2 C 13 21.976 0.300 . 1 . . . . 71 THR CG2 . 10100 1 770 . 1 1 71 71 THR N N 15 107.334 0.300 . 1 . . . . 71 THR N . 10100 1 771 . 1 1 72 72 HIS H H 1 8.668 0.030 . 1 . . . . 72 HIS H . 10100 1 772 . 1 1 72 72 HIS HA H 1 3.867 0.030 . 1 . . . . 72 HIS HA . 10100 1 773 . 1 1 72 72 HIS HB2 H 1 3.403 0.030 . 2 . . . . 72 HIS HB2 . 10100 1 774 . 1 1 72 72 HIS HB3 H 1 3.156 0.030 . 2 . . . . 72 HIS HB3 . 10100 1 775 . 1 1 72 72 HIS HD2 H 1 6.821 0.030 . 1 . . . . 72 HIS HD2 . 10100 1 776 . 1 1 72 72 HIS HE1 H 1 7.806 0.030 . 1 . . . . 72 HIS HE1 . 10100 1 777 . 1 1 72 72 HIS C C 13 176.989 0.300 . 1 . . . . 72 HIS C . 10100 1 778 . 1 1 72 72 HIS CA C 13 61.079 0.300 . 1 . . . . 72 HIS CA . 10100 1 779 . 1 1 72 72 HIS CB C 13 30.128 0.300 . 1 . . . . 72 HIS CB . 10100 1 780 . 1 1 72 72 HIS CD2 C 13 121.174 0.300 . 1 . . . . 72 HIS CD2 . 10100 1 781 . 1 1 72 72 HIS CE1 C 13 138.063 0.300 . 1 . . . . 72 HIS CE1 . 10100 1 782 . 1 1 72 72 HIS N N 15 120.268 0.300 . 1 . . . . 72 HIS N . 10100 1 783 . 1 1 73 73 ARG H H 1 8.365 0.030 . 1 . . . . 73 ARG H . 10100 1 784 . 1 1 73 73 ARG HA H 1 3.945 0.030 . 1 . . . . 73 ARG HA . 10100 1 785 . 1 1 73 73 ARG HB2 H 1 1.988 0.030 . 2 . . . . 73 ARG HB2 . 10100 1 786 . 1 1 73 73 ARG HB3 H 1 1.840 0.030 . 2 . . . . 73 ARG HB3 . 10100 1 787 . 1 1 73 73 ARG HG2 H 1 1.695 0.030 . 2 . . . . 73 ARG HG2 . 10100 1 788 . 1 1 73 73 ARG HG3 H 1 1.761 0.030 . 2 . . . . 73 ARG HG3 . 10100 1 789 . 1 1 73 73 ARG HD2 H 1 3.260 0.030 . 1 . . . . 73 ARG HD2 . 10100 1 790 . 1 1 73 73 ARG HD3 H 1 3.260 0.030 . 1 . . . . 73 ARG HD3 . 10100 1 791 . 1 1 73 73 ARG C C 13 177.424 0.300 . 1 . . . . 73 ARG C . 10100 1 792 . 1 1 73 73 ARG CA C 13 58.877 0.300 . 1 . . . . 73 ARG CA . 10100 1 793 . 1 1 73 73 ARG CB C 13 29.737 0.300 . 1 . . . . 73 ARG CB . 10100 1 794 . 1 1 73 73 ARG CG C 13 26.839 0.300 . 1 . . . . 73 ARG CG . 10100 1 795 . 1 1 73 73 ARG CD C 13 43.078 0.300 . 1 . . . . 73 ARG CD . 10100 1 796 . 1 1 73 73 ARG N N 15 116.343 0.300 . 1 . . . . 73 ARG N . 10100 1 797 . 1 1 74 74 TYR H H 1 7.628 0.030 . 1 . . . . 74 TYR H . 10100 1 798 . 1 1 74 74 TYR HA H 1 4.237 0.030 . 1 . . . . 74 TYR HA . 10100 1 799 . 1 1 74 74 TYR HB2 H 1 3.178 0.030 . 2 . . . . 74 TYR HB2 . 10100 1 800 . 1 1 74 74 TYR HB3 H 1 3.321 0.030 . 2 . . . . 74 TYR HB3 . 10100 1 801 . 1 1 74 74 TYR HD1 H 1 7.027 0.030 . 1 . . . . 74 TYR HD1 . 10100 1 802 . 1 1 74 74 TYR HD2 H 1 7.027 0.030 . 1 . . . . 74 TYR HD2 . 10100 1 803 . 1 1 74 74 TYR HE1 H 1 6.803 0.030 . 1 . . . . 74 TYR HE1 . 10100 1 804 . 1 1 74 74 TYR HE2 H 1 6.803 0.030 . 1 . . . . 74 TYR HE2 . 10100 1 805 . 1 1 74 74 TYR C C 13 178.020 0.300 . 1 . . . . 74 TYR C . 10100 1 806 . 1 1 74 74 TYR CA C 13 61.210 0.300 . 1 . . . . 74 TYR CA . 10100 1 807 . 1 1 74 74 TYR CB C 13 39.019 0.300 . 1 . . . . 74 TYR CB . 10100 1 808 . 1 1 74 74 TYR CD1 C 13 133.419 0.300 . 1 . . . . 74 TYR CD1 . 10100 1 809 . 1 1 74 74 TYR CD2 C 13 133.419 0.300 . 1 . . . . 74 TYR CD2 . 10100 1 810 . 1 1 74 74 TYR CE1 C 13 118.687 0.300 . 1 . . . . 74 TYR CE1 . 10100 1 811 . 1 1 74 74 TYR CE2 C 13 118.687 0.300 . 1 . . . . 74 TYR CE2 . 10100 1 812 . 1 1 74 74 TYR N N 15 119.892 0.300 . 1 . . . . 74 TYR N . 10100 1 813 . 1 1 75 75 VAL H H 1 7.749 0.030 . 1 . . . . 75 VAL H . 10100 1 814 . 1 1 75 75 VAL HA H 1 3.417 0.030 . 1 . . . . 75 VAL HA . 10100 1 815 . 1 1 75 75 VAL HB H 1 2.089 0.030 . 1 . . . . 75 VAL HB . 10100 1 816 . 1 1 75 75 VAL HG11 H 1 1.110 0.030 . 1 . . . . 75 VAL HG1 . 10100 1 817 . 1 1 75 75 VAL HG12 H 1 1.110 0.030 . 1 . . . . 75 VAL HG1 . 10100 1 818 . 1 1 75 75 VAL HG13 H 1 1.110 0.030 . 1 . . . . 75 VAL HG1 . 10100 1 819 . 1 1 75 75 VAL HG21 H 1 0.853 0.030 . 1 . . . . 75 VAL HG2 . 10100 1 820 . 1 1 75 75 VAL HG22 H 1 0.853 0.030 . 1 . . . . 75 VAL HG2 . 10100 1 821 . 1 1 75 75 VAL HG23 H 1 0.853 0.030 . 1 . . . . 75 VAL HG2 . 10100 1 822 . 1 1 75 75 VAL C C 13 177.609 0.300 . 1 . . . . 75 VAL C . 10100 1 823 . 1 1 75 75 VAL CA C 13 66.972 0.300 . 1 . . . . 75 VAL CA . 10100 1 824 . 1 1 75 75 VAL CB C 13 31.201 0.300 . 1 . . . . 75 VAL CB . 10100 1 825 . 1 1 75 75 VAL CG1 C 13 24.120 0.300 . 2 . . . . 75 VAL CG1 . 10100 1 826 . 1 1 75 75 VAL CG2 C 13 22.553 0.300 . 2 . . . . 75 VAL CG2 . 10100 1 827 . 1 1 75 75 VAL N N 15 118.317 0.300 . 1 . . . . 75 VAL N . 10100 1 828 . 1 1 76 76 ILE H H 1 8.525 0.030 . 1 . . . . 76 ILE H . 10100 1 829 . 1 1 76 76 ILE HA H 1 3.586 0.030 . 1 . . . . 76 ILE HA . 10100 1 830 . 1 1 76 76 ILE HB H 1 2.009 0.030 . 1 . . . . 76 ILE HB . 10100 1 831 . 1 1 76 76 ILE HG12 H 1 1.284 0.030 . 1 . . . . 76 ILE HG12 . 10100 1 832 . 1 1 76 76 ILE HG13 H 1 1.284 0.030 . 1 . . . . 76 ILE HG13 . 10100 1 833 . 1 1 76 76 ILE HG21 H 1 0.792 0.030 . 1 . . . . 76 ILE HG2 . 10100 1 834 . 1 1 76 76 ILE HG22 H 1 0.792 0.030 . 1 . . . . 76 ILE HG2 . 10100 1 835 . 1 1 76 76 ILE HG23 H 1 0.792 0.030 . 1 . . . . 76 ILE HG2 . 10100 1 836 . 1 1 76 76 ILE HD11 H 1 0.632 0.030 . 1 . . . . 76 ILE HD1 . 10100 1 837 . 1 1 76 76 ILE HD12 H 1 0.632 0.030 . 1 . . . . 76 ILE HD1 . 10100 1 838 . 1 1 76 76 ILE HD13 H 1 0.632 0.030 . 1 . . . . 76 ILE HD1 . 10100 1 839 . 1 1 76 76 ILE C C 13 178.814 0.300 . 1 . . . . 76 ILE C . 10100 1 840 . 1 1 76 76 ILE CA C 13 63.255 0.300 . 1 . . . . 76 ILE CA . 10100 1 841 . 1 1 76 76 ILE CB C 13 35.677 0.300 . 1 . . . . 76 ILE CB . 10100 1 842 . 1 1 76 76 ILE CG1 C 13 27.927 0.300 . 1 . . . . 76 ILE CG1 . 10100 1 843 . 1 1 76 76 ILE CG2 C 13 17.772 0.300 . 1 . . . . 76 ILE CG2 . 10100 1 844 . 1 1 76 76 ILE CD1 C 13 10.616 0.300 . 1 . . . . 76 ILE CD1 . 10100 1 845 . 1 1 76 76 ILE N N 15 121.542 0.300 . 1 . . . . 76 ILE N . 10100 1 846 . 1 1 77 77 ASP H H 1 7.989 0.030 . 1 . . . . 77 ASP H . 10100 1 847 . 1 1 77 77 ASP HA H 1 4.497 0.030 . 1 . . . . 77 ASP HA . 10100 1 848 . 1 1 77 77 ASP HB2 H 1 2.802 0.030 . 2 . . . . 77 ASP HB2 . 10100 1 849 . 1 1 77 77 ASP HB3 H 1 2.577 0.030 . 2 . . . . 77 ASP HB3 . 10100 1 850 . 1 1 77 77 ASP C C 13 179.765 0.300 . 1 . . . . 77 ASP C . 10100 1 851 . 1 1 77 77 ASP CA C 13 57.996 0.300 . 1 . . . . 77 ASP CA . 10100 1 852 . 1 1 77 77 ASP CB C 13 39.964 0.300 . 1 . . . . 77 ASP CB . 10100 1 853 . 1 1 77 77 ASP N N 15 121.542 0.300 . 1 . . . . 77 ASP N . 10100 1 854 . 1 1 78 78 LEU H H 1 7.784 0.030 . 1 . . . . 78 LEU H . 10100 1 855 . 1 1 78 78 LEU HA H 1 4.086 0.030 . 1 . . . . 78 LEU HA . 10100 1 856 . 1 1 78 78 LEU HB2 H 1 1.960 0.030 . 2 . . . . 78 LEU HB2 . 10100 1 857 . 1 1 78 78 LEU HB3 H 1 1.425 0.030 . 2 . . . . 78 LEU HB3 . 10100 1 858 . 1 1 78 78 LEU HG H 1 1.571 0.030 . 1 . . . . 78 LEU HG . 10100 1 859 . 1 1 78 78 LEU HD11 H 1 0.792 0.030 . 1 . . . . 78 LEU HD1 . 10100 1 860 . 1 1 78 78 LEU HD12 H 1 0.792 0.030 . 1 . . . . 78 LEU HD1 . 10100 1 861 . 1 1 78 78 LEU HD13 H 1 0.792 0.030 . 1 . . . . 78 LEU HD1 . 10100 1 862 . 1 1 78 78 LEU HD21 H 1 0.771 0.030 . 1 . . . . 78 LEU HD2 . 10100 1 863 . 1 1 78 78 LEU HD22 H 1 0.771 0.030 . 1 . . . . 78 LEU HD2 . 10100 1 864 . 1 1 78 78 LEU HD23 H 1 0.771 0.030 . 1 . . . . 78 LEU HD2 . 10100 1 865 . 1 1 78 78 LEU C C 13 180.994 0.300 . 1 . . . . 78 LEU C . 10100 1 866 . 1 1 78 78 LEU CA C 13 58.182 0.300 . 1 . . . . 78 LEU CA . 10100 1 867 . 1 1 78 78 LEU CB C 13 41.918 0.300 . 1 . . . . 78 LEU CB . 10100 1 868 . 1 1 78 78 LEU CG C 13 26.015 0.300 . 1 . . . . 78 LEU CG . 10100 1 869 . 1 1 78 78 LEU CD1 C 13 26.015 0.300 . 2 . . . . 78 LEU CD1 . 10100 1 870 . 1 1 78 78 LEU CD2 C 13 22.635 0.300 . 2 . . . . 78 LEU CD2 . 10100 1 871 . 1 1 78 78 LEU N N 15 120.992 0.300 . 1 . . . . 78 LEU N . 10100 1 872 . 1 1 79 79 MET H H 1 8.456 0.030 . 1 . . . . 79 MET H . 10100 1 873 . 1 1 79 79 MET HA H 1 4.460 0.030 . 1 . . . . 79 MET HA . 10100 1 874 . 1 1 79 79 MET HB2 H 1 2.323 0.030 . 2 . . . . 79 MET HB2 . 10100 1 875 . 1 1 79 79 MET HB3 H 1 2.101 0.030 . 2 . . . . 79 MET HB3 . 10100 1 876 . 1 1 79 79 MET HG2 H 1 2.526 0.030 . 2 . . . . 79 MET HG2 . 10100 1 877 . 1 1 79 79 MET HG3 H 1 2.649 0.030 . 2 . . . . 79 MET HG3 . 10100 1 878 . 1 1 79 79 MET HE1 H 1 1.749 0.030 . 1 . . . . 79 MET HE . 10100 1 879 . 1 1 79 79 MET HE2 H 1 1.749 0.030 . 1 . . . . 79 MET HE . 10100 1 880 . 1 1 79 79 MET HE3 H 1 1.749 0.030 . 1 . . . . 79 MET HE . 10100 1 881 . 1 1 79 79 MET C C 13 180.005 0.300 . 1 . . . . 79 MET C . 10100 1 882 . 1 1 79 79 MET CA C 13 56.498 0.300 . 1 . . . . 79 MET CA . 10100 1 883 . 1 1 79 79 MET CB C 13 29.876 0.300 . 1 . . . . 79 MET CB . 10100 1 884 . 1 1 79 79 MET CG C 13 31.620 0.300 . 1 . . . . 79 MET CG . 10100 1 885 . 1 1 79 79 MET CE C 13 16.341 0.300 . 1 . . . . 79 MET CE . 10100 1 886 . 1 1 79 79 MET N N 15 119.522 0.300 . 1 . . . . 79 MET N . 10100 1 887 . 1 1 80 80 HIS H H 1 8.670 0.030 . 1 . . . . 80 HIS H . 10100 1 888 . 1 1 80 80 HIS HA H 1 4.548 0.030 . 1 . . . . 80 HIS HA . 10100 1 889 . 1 1 80 80 HIS HB2 H 1 3.232 0.030 . 2 . . . . 80 HIS HB2 . 10100 1 890 . 1 1 80 80 HIS HB3 H 1 3.343 0.030 . 2 . . . . 80 HIS HB3 . 10100 1 891 . 1 1 80 80 HIS HD2 H 1 6.934 0.030 . 1 . . . . 80 HIS HD2 . 10100 1 892 . 1 1 80 80 HIS C C 13 178.787 0.300 . 1 . . . . 80 HIS C . 10100 1 893 . 1 1 80 80 HIS CA C 13 59.346 0.300 . 1 . . . . 80 HIS CA . 10100 1 894 . 1 1 80 80 HIS CB C 13 30.128 0.300 . 1 . . . . 80 HIS CB . 10100 1 895 . 1 1 80 80 HIS CD2 C 13 119.897 0.300 . 1 . . . . 80 HIS CD2 . 10100 1 896 . 1 1 80 80 HIS N N 15 123.192 0.300 . 1 . . . . 80 HIS N . 10100 1 897 . 1 1 81 81 HIS H H 1 8.023 0.030 . 1 . . . . 81 HIS H . 10100 1 898 . 1 1 81 81 HIS HA H 1 4.321 0.030 . 1 . . . . 81 HIS HA . 10100 1 899 . 1 1 81 81 HIS HB2 H 1 3.325 0.030 . 2 . . . . 81 HIS HB2 . 10100 1 900 . 1 1 81 81 HIS HB3 H 1 3.288 0.030 . 2 . . . . 81 HIS HB3 . 10100 1 901 . 1 1 81 81 HIS HD2 H 1 7.146 0.030 . 1 . . . . 81 HIS HD2 . 10100 1 902 . 1 1 81 81 HIS HE1 H 1 7.746 0.030 . 1 . . . . 81 HIS HE1 . 10100 1 903 . 1 1 81 81 HIS C C 13 177.901 0.300 . 1 . . . . 81 HIS C . 10100 1 904 . 1 1 81 81 HIS CA C 13 59.838 0.300 . 1 . . . . 81 HIS CA . 10100 1 905 . 1 1 81 81 HIS CB C 13 29.911 0.300 . 1 . . . . 81 HIS CB . 10100 1 906 . 1 1 81 81 HIS CD2 C 13 120.224 0.300 . 1 . . . . 81 HIS CD2 . 10100 1 907 . 1 1 81 81 HIS CE1 C 13 138.530 0.300 . 1 . . . . 81 HIS CE1 . 10100 1 908 . 1 1 81 81 HIS N N 15 120.622 0.300 . 1 . . . . 81 HIS N . 10100 1 909 . 1 1 82 82 ALA H H 1 8.408 0.030 . 1 . . . . 82 ALA H . 10100 1 910 . 1 1 82 82 ALA HA H 1 4.549 0.030 . 1 . . . . 82 ALA HA . 10100 1 911 . 1 1 82 82 ALA HB1 H 1 1.693 0.030 . 1 . . . . 82 ALA HB . 10100 1 912 . 1 1 82 82 ALA HB2 H 1 1.693 0.030 . 1 . . . . 82 ALA HB . 10100 1 913 . 1 1 82 82 ALA HB3 H 1 1.693 0.030 . 1 . . . . 82 ALA HB . 10100 1 914 . 1 1 82 82 ALA C C 13 180.126 0.300 . 1 . . . . 82 ALA C . 10100 1 915 . 1 1 82 82 ALA CA C 13 55.006 0.300 . 1 . . . . 82 ALA CA . 10100 1 916 . 1 1 82 82 ALA CB C 13 18.015 0.300 . 1 . . . . 82 ALA CB . 10100 1 917 . 1 1 82 82 ALA N N 15 122.092 0.300 . 1 . . . . 82 ALA N . 10100 1 918 . 1 1 83 83 ALA H H 1 8.522 0.030 . 1 . . . . 83 ALA H . 10100 1 919 . 1 1 83 83 ALA HA H 1 3.821 0.030 . 1 . . . . 83 ALA HA . 10100 1 920 . 1 1 83 83 ALA HB1 H 1 1.454 0.030 . 1 . . . . 83 ALA HB . 10100 1 921 . 1 1 83 83 ALA HB2 H 1 1.454 0.030 . 1 . . . . 83 ALA HB . 10100 1 922 . 1 1 83 83 ALA HB3 H 1 1.454 0.030 . 1 . . . . 83 ALA HB . 10100 1 923 . 1 1 83 83 ALA C C 13 180.554 0.300 . 1 . . . . 83 ALA C . 10100 1 924 . 1 1 83 83 ALA CA C 13 55.800 0.300 . 1 . . . . 83 ALA CA . 10100 1 925 . 1 1 83 83 ALA CB C 13 17.399 0.300 . 1 . . . . 83 ALA CB . 10100 1 926 . 1 1 83 83 ALA N N 15 120.072 0.300 . 1 . . . . 83 ALA N . 10100 1 927 . 1 1 84 84 ARG H H 1 7.620 0.030 . 1 . . . . 84 ARG H . 10100 1 928 . 1 1 84 84 ARG HA H 1 4.011 0.030 . 1 . . . . 84 ARG HA . 10100 1 929 . 1 1 84 84 ARG HB2 H 1 1.980 0.030 . 1 . . . . 84 ARG HB2 . 10100 1 930 . 1 1 84 84 ARG HB3 H 1 1.980 0.030 . 1 . . . . 84 ARG HB3 . 10100 1 931 . 1 1 84 84 ARG HG2 H 1 1.598 0.030 . 2 . . . . 84 ARG HG2 . 10100 1 932 . 1 1 84 84 ARG HG3 H 1 1.778 0.030 . 2 . . . . 84 ARG HG3 . 10100 1 933 . 1 1 84 84 ARG HD2 H 1 3.212 0.030 . 1 . . . . 84 ARG HD2 . 10100 1 934 . 1 1 84 84 ARG HD3 H 1 3.212 0.030 . 1 . . . . 84 ARG HD3 . 10100 1 935 . 1 1 84 84 ARG C C 13 178.349 0.300 . 1 . . . . 84 ARG C . 10100 1 936 . 1 1 84 84 ARG CA C 13 59.179 0.300 . 1 . . . . 84 ARG CA . 10100 1 937 . 1 1 84 84 ARG CB C 13 29.645 0.300 . 1 . . . . 84 ARG CB . 10100 1 938 . 1 1 84 84 ARG CG C 13 27.664 0.300 . 1 . . . . 84 ARG CG . 10100 1 939 . 1 1 84 84 ARG CD C 13 43.490 0.300 . 1 . . . . 84 ARG CD . 10100 1 940 . 1 1 84 84 ARG N N 15 119.155 0.300 . 1 . . . . 84 ARG N . 10100 1 941 . 1 1 85 85 ASN H H 1 7.896 0.030 . 1 . . . . 85 ASN H . 10100 1 942 . 1 1 85 85 ASN HA H 1 4.657 0.030 . 1 . . . . 85 ASN HA . 10100 1 943 . 1 1 85 85 ASN HB2 H 1 3.047 0.030 . 2 . . . . 85 ASN HB2 . 10100 1 944 . 1 1 85 85 ASN HB3 H 1 3.313 0.030 . 2 . . . . 85 ASN HB3 . 10100 1 945 . 1 1 85 85 ASN HD21 H 1 8.241 0.030 . 2 . . . . 85 ASN HD21 . 10100 1 946 . 1 1 85 85 ASN HD22 H 1 6.671 0.030 . 2 . . . . 85 ASN HD22 . 10100 1 947 . 1 1 85 85 ASN C C 13 176.711 0.300 . 1 . . . . 85 ASN C . 10100 1 948 . 1 1 85 85 ASN CA C 13 54.448 0.300 . 1 . . . . 85 ASN CA . 10100 1 949 . 1 1 85 85 ASN CB C 13 38.451 0.300 . 1 . . . . 85 ASN CB . 10100 1 950 . 1 1 85 85 ASN N N 15 117.322 0.300 . 1 . . . . 85 ASN N . 10100 1 951 . 1 1 85 85 ASN ND2 N 15 112.661 0.300 . 1 . . . . 85 ASN ND2 . 10100 1 952 . 1 1 86 86 GLY H H 1 8.228 0.030 . 1 . . . . 86 GLY H . 10100 1 953 . 1 1 86 86 GLY HA2 H 1 4.499 0.030 . 2 . . . . 86 GLY HA2 . 10100 1 954 . 1 1 86 86 GLY HA3 H 1 3.459 0.030 . 2 . . . . 86 GLY HA3 . 10100 1 955 . 1 1 86 86 GLY C C 13 173.441 0.300 . 1 . . . . 86 GLY C . 10100 1 956 . 1 1 86 86 GLY CA C 13 45.704 0.300 . 1 . . . . 86 GLY CA . 10100 1 957 . 1 1 86 86 GLY N N 15 106.492 0.300 . 1 . . . . 86 GLY N . 10100 1 958 . 1 1 87 87 GLN H H 1 8.002 0.030 . 1 . . . . 87 GLN H . 10100 1 959 . 1 1 87 87 GLN HA H 1 5.555 0.030 . 1 . . . . 87 GLN HA . 10100 1 960 . 1 1 87 87 GLN HB2 H 1 1.928 0.030 . 2 . . . . 87 GLN HB2 . 10100 1 961 . 1 1 87 87 GLN HB3 H 1 2.443 0.030 . 2 . . . . 87 GLN HB3 . 10100 1 962 . 1 1 87 87 GLN HG2 H 1 2.226 0.030 . 1 . . . . 87 GLN HG2 . 10100 1 963 . 1 1 87 87 GLN HG3 H 1 2.226 0.030 . 1 . . . . 87 GLN HG3 . 10100 1 964 . 1 1 87 87 GLN HE21 H 1 6.785 0.030 . 2 . . . . 87 GLN HE21 . 10100 1 965 . 1 1 87 87 GLN HE22 H 1 7.738 0.030 . 2 . . . . 87 GLN HE22 . 10100 1 966 . 1 1 87 87 GLN C C 13 171.786 0.300 . 1 . . . . 87 GLN C . 10100 1 967 . 1 1 87 87 GLN CA C 13 54.528 0.300 . 1 . . . . 87 GLN CA . 10100 1 968 . 1 1 87 87 GLN CB C 13 30.925 0.300 . 1 . . . . 87 GLN CB . 10100 1 969 . 1 1 87 87 GLN CG C 13 31.701 0.300 . 1 . . . . 87 GLN CG . 10100 1 970 . 1 1 87 87 GLN N N 15 116.670 0.300 . 1 . . . . 87 GLN N . 10100 1 971 . 1 1 87 87 GLN NE2 N 15 112.118 0.300 . 1 . . . . 87 GLN NE2 . 10100 1 972 . 1 1 88 88 VAL H H 1 8.733 0.030 . 1 . . . . 88 VAL H . 10100 1 973 . 1 1 88 88 VAL HA H 1 4.740 0.030 . 1 . . . . 88 VAL HA . 10100 1 974 . 1 1 88 88 VAL HB H 1 1.396 0.030 . 1 . . . . 88 VAL HB . 10100 1 975 . 1 1 88 88 VAL HG11 H 1 0.789 0.030 . 1 . . . . 88 VAL HG1 . 10100 1 976 . 1 1 88 88 VAL HG12 H 1 0.789 0.030 . 1 . . . . 88 VAL HG1 . 10100 1 977 . 1 1 88 88 VAL HG13 H 1 0.789 0.030 . 1 . . . . 88 VAL HG1 . 10100 1 978 . 1 1 88 88 VAL HG21 H 1 -0.065 0.030 . 1 . . . . 88 VAL HG2 . 10100 1 979 . 1 1 88 88 VAL HG22 H 1 -0.065 0.030 . 1 . . . . 88 VAL HG2 . 10100 1 980 . 1 1 88 88 VAL HG23 H 1 -0.065 0.030 . 1 . . . . 88 VAL HG2 . 10100 1 981 . 1 1 88 88 VAL C C 13 170.564 0.300 . 1 . . . . 88 VAL C . 10100 1 982 . 1 1 88 88 VAL CA C 13 60.815 0.300 . 1 . . . . 88 VAL CA . 10100 1 983 . 1 1 88 88 VAL CB C 13 35.858 0.300 . 1 . . . . 88 VAL CB . 10100 1 984 . 1 1 88 88 VAL CG1 C 13 22.223 0.300 . 2 . . . . 88 VAL CG1 . 10100 1 985 . 1 1 88 88 VAL CG2 C 13 17.937 0.300 . 2 . . . . 88 VAL CG2 . 10100 1 986 . 1 1 88 88 VAL N N 15 119.016 0.300 . 1 . . . . 88 VAL N . 10100 1 987 . 1 1 89 89 ASN H H 1 8.829 0.030 . 1 . . . . 89 ASN H . 10100 1 988 . 1 1 89 89 ASN HA H 1 5.455 0.030 . 1 . . . . 89 ASN HA . 10100 1 989 . 1 1 89 89 ASN HB2 H 1 2.774 0.030 . 1 . . . . 89 ASN HB2 . 10100 1 990 . 1 1 89 89 ASN HB3 H 1 2.774 0.030 . 1 . . . . 89 ASN HB3 . 10100 1 991 . 1 1 89 89 ASN HD21 H 1 6.995 0.030 . 2 . . . . 89 ASN HD21 . 10100 1 992 . 1 1 89 89 ASN HD22 H 1 7.703 0.030 . 2 . . . . 89 ASN HD22 . 10100 1 993 . 1 1 89 89 ASN C C 13 174.454 0.300 . 1 . . . . 89 ASN C . 10100 1 994 . 1 1 89 89 ASN CA C 13 52.152 0.300 . 1 . . . . 89 ASN CA . 10100 1 995 . 1 1 89 89 ASN CB C 13 40.750 0.300 . 1 . . . . 89 ASN CB . 10100 1 996 . 1 1 89 89 ASN N N 15 125.492 0.300 . 1 . . . . 89 ASN N . 10100 1 997 . 1 1 89 89 ASN ND2 N 15 114.757 0.300 . 1 . . . . 89 ASN ND2 . 10100 1 998 . 1 1 90 90 LEU H H 1 9.357 0.030 . 1 . . . . 90 LEU H . 10100 1 999 . 1 1 90 90 LEU HA H 1 5.127 0.030 . 1 . . . . 90 LEU HA . 10100 1 1000 . 1 1 90 90 LEU HB2 H 1 1.190 0.030 . 2 . . . . 90 LEU HB2 . 10100 1 1001 . 1 1 90 90 LEU HB3 H 1 1.694 0.030 . 2 . . . . 90 LEU HB3 . 10100 1 1002 . 1 1 90 90 LEU HG H 1 1.506 0.030 . 1 . . . . 90 LEU HG . 10100 1 1003 . 1 1 90 90 LEU HD11 H 1 0.474 0.030 . 1 . . . . 90 LEU HD1 . 10100 1 1004 . 1 1 90 90 LEU HD12 H 1 0.474 0.030 . 1 . . . . 90 LEU HD1 . 10100 1 1005 . 1 1 90 90 LEU HD13 H 1 0.474 0.030 . 1 . . . . 90 LEU HD1 . 10100 1 1006 . 1 1 90 90 LEU HD21 H 1 0.839 0.030 . 1 . . . . 90 LEU HD2 . 10100 1 1007 . 1 1 90 90 LEU HD22 H 1 0.839 0.030 . 1 . . . . 90 LEU HD2 . 10100 1 1008 . 1 1 90 90 LEU HD23 H 1 0.839 0.030 . 1 . . . . 90 LEU HD2 . 10100 1 1009 . 1 1 90 90 LEU C C 13 176.426 0.300 . 1 . . . . 90 LEU C . 10100 1 1010 . 1 1 90 90 LEU CA C 13 53.185 0.300 . 1 . . . . 90 LEU CA . 10100 1 1011 . 1 1 90 90 LEU CB C 13 45.321 0.300 . 1 . . . . 90 LEU CB . 10100 1 1012 . 1 1 90 90 LEU CG C 13 26.391 0.300 . 1 . . . . 90 LEU CG . 10100 1 1013 . 1 1 90 90 LEU CD1 C 13 27.000 0.300 . 2 . . . . 90 LEU CD1 . 10100 1 1014 . 1 1 90 90 LEU CD2 C 13 25.051 0.300 . 2 . . . . 90 LEU CD2 . 10100 1 1015 . 1 1 90 90 LEU N N 15 125.459 0.300 . 1 . . . . 90 LEU N . 10100 1 1016 . 1 1 91 91 THR H H 1 8.689 0.030 . 1 . . . . 91 THR H . 10100 1 1017 . 1 1 91 91 THR HA H 1 5.518 0.030 . 1 . . . . 91 THR HA . 10100 1 1018 . 1 1 91 91 THR HB H 1 3.986 0.030 . 1 . . . . 91 THR HB . 10100 1 1019 . 1 1 91 91 THR HG21 H 1 1.241 0.030 . 1 . . . . 91 THR HG2 . 10100 1 1020 . 1 1 91 91 THR HG22 H 1 1.241 0.030 . 1 . . . . 91 THR HG2 . 10100 1 1021 . 1 1 91 91 THR HG23 H 1 1.241 0.030 . 1 . . . . 91 THR HG2 . 10100 1 1022 . 1 1 91 91 THR C C 13 174.780 0.300 . 1 . . . . 91 THR C . 10100 1 1023 . 1 1 91 91 THR CA C 13 62.594 0.300 . 1 . . . . 91 THR CA . 10100 1 1024 . 1 1 91 91 THR CB C 13 70.638 0.300 . 1 . . . . 91 THR CB . 10100 1 1025 . 1 1 91 91 THR CG2 C 13 21.564 0.300 . 1 . . . . 91 THR CG2 . 10100 1 1026 . 1 1 91 91 THR N N 15 119.522 0.300 . 1 . . . . 91 THR N . 10100 1 1027 . 1 1 92 92 VAL H H 1 9.211 0.030 . 1 . . . . 92 VAL H . 10100 1 1028 . 1 1 92 92 VAL HA H 1 5.615 0.030 . 1 . . . . 92 VAL HA . 10100 1 1029 . 1 1 92 92 VAL HB H 1 2.018 0.030 . 1 . . . . 92 VAL HB . 10100 1 1030 . 1 1 92 92 VAL HG11 H 1 0.729 0.030 . 1 . . . . 92 VAL HG1 . 10100 1 1031 . 1 1 92 92 VAL HG12 H 1 0.729 0.030 . 1 . . . . 92 VAL HG1 . 10100 1 1032 . 1 1 92 92 VAL HG13 H 1 0.729 0.030 . 1 . . . . 92 VAL HG1 . 10100 1 1033 . 1 1 92 92 VAL HG21 H 1 0.678 0.030 . 1 . . . . 92 VAL HG2 . 10100 1 1034 . 1 1 92 92 VAL HG22 H 1 0.678 0.030 . 1 . . . . 92 VAL HG2 . 10100 1 1035 . 1 1 92 92 VAL HG23 H 1 0.678 0.030 . 1 . . . . 92 VAL HG2 . 10100 1 1036 . 1 1 92 92 VAL C C 13 173.699 0.300 . 1 . . . . 92 VAL C . 10100 1 1037 . 1 1 92 92 VAL CA C 13 57.968 0.300 . 1 . . . . 92 VAL CA . 10100 1 1038 . 1 1 92 92 VAL CB C 13 35.849 0.300 . 1 . . . . 92 VAL CB . 10100 1 1039 . 1 1 92 92 VAL CG1 C 13 17.492 0.300 . 2 . . . . 92 VAL CG1 . 10100 1 1040 . 1 1 92 92 VAL CG2 C 13 21.201 0.300 . 2 . . . . 92 VAL CG2 . 10100 1 1041 . 1 1 92 92 VAL N N 15 119.742 0.300 . 1 . . . . 92 VAL N . 10100 1 1042 . 1 1 93 93 ARG H H 1 9.453 0.030 . 1 . . . . 93 ARG H . 10100 1 1043 . 1 1 93 93 ARG HA H 1 5.510 0.030 . 1 . . . . 93 ARG HA . 10100 1 1044 . 1 1 93 93 ARG HB2 H 1 1.566 0.030 . 1 . . . . 93 ARG HB2 . 10100 1 1045 . 1 1 93 93 ARG HB3 H 1 1.566 0.030 . 1 . . . . 93 ARG HB3 . 10100 1 1046 . 1 1 93 93 ARG HG2 H 1 1.376 0.030 . 1 . . . . 93 ARG HG2 . 10100 1 1047 . 1 1 93 93 ARG HG3 H 1 1.376 0.030 . 1 . . . . 93 ARG HG3 . 10100 1 1048 . 1 1 93 93 ARG HD2 H 1 2.422 0.030 . 1 . . . . 93 ARG HD2 . 10100 1 1049 . 1 1 93 93 ARG HD3 H 1 2.422 0.030 . 1 . . . . 93 ARG HD3 . 10100 1 1050 . 1 1 93 93 ARG HE H 1 6.900 0.030 . 1 . . . . 93 ARG HE . 10100 1 1051 . 1 1 93 93 ARG C C 13 174.305 0.300 . 1 . . . . 93 ARG C . 10100 1 1052 . 1 1 93 93 ARG CA C 13 54.258 0.300 . 1 . . . . 93 ARG CA . 10100 1 1053 . 1 1 93 93 ARG CB C 13 34.295 0.300 . 1 . . . . 93 ARG CB . 10100 1 1054 . 1 1 93 93 ARG CG C 13 27.551 0.300 . 1 . . . . 93 ARG CG . 10100 1 1055 . 1 1 93 93 ARG CD C 13 43.403 0.300 . 1 . . . . 93 ARG CD . 10100 1 1056 . 1 1 93 93 ARG N N 15 118.473 0.300 . 1 . . . . 93 ARG N . 10100 1 1057 . 1 1 93 93 ARG NE N 15 107.227 0.300 . 1 . . . . 93 ARG NE . 10100 1 1058 . 1 1 94 94 ARG H H 1 9.117 0.030 . 1 . . . . 94 ARG H . 10100 1 1059 . 1 1 94 94 ARG HA H 1 4.931 0.030 . 1 . . . . 94 ARG HA . 10100 1 1060 . 1 1 94 94 ARG HB2 H 1 1.712 0.030 . 1 . . . . 94 ARG HB2 . 10100 1 1061 . 1 1 94 94 ARG HB3 H 1 1.712 0.030 . 1 . . . . 94 ARG HB3 . 10100 1 1062 . 1 1 94 94 ARG HG2 H 1 1.571 0.030 . 1 . . . . 94 ARG HG2 . 10100 1 1063 . 1 1 94 94 ARG HG3 H 1 1.571 0.030 . 1 . . . . 94 ARG HG3 . 10100 1 1064 . 1 1 94 94 ARG HD2 H 1 2.868 0.030 . 2 . . . . 94 ARG HD2 . 10100 1 1065 . 1 1 94 94 ARG HD3 H 1 3.211 0.030 . 2 . . . . 94 ARG HD3 . 10100 1 1066 . 1 1 94 94 ARG HE H 1 9.075 0.030 . 1 . . . . 94 ARG HE . 10100 1 1067 . 1 1 94 94 ARG C C 13 174.965 0.300 . 1 . . . . 94 ARG C . 10100 1 1068 . 1 1 94 94 ARG CA C 13 54.416 0.300 . 1 . . . . 94 ARG CA . 10100 1 1069 . 1 1 94 94 ARG CB C 13 34.636 0.300 . 1 . . . . 94 ARG CB . 10100 1 1070 . 1 1 94 94 ARG CG C 13 26.051 0.300 . 1 . . . . 94 ARG CG . 10100 1 1071 . 1 1 94 94 ARG CD C 13 43.387 0.300 . 1 . . . . 94 ARG CD . 10100 1 1072 . 1 1 94 94 ARG N N 15 124.662 0.300 . 1 . . . . 94 ARG N . 10100 1 1073 . 1 1 94 94 ARG NE N 15 108.095 0.300 . 1 . . . . 94 ARG NE . 10100 1 1074 . 1 1 95 95 LYS H H 1 8.884 0.030 . 1 . . . . 95 LYS H . 10100 1 1075 . 1 1 95 95 LYS HA H 1 4.129 0.030 . 1 . . . . 95 LYS HA . 10100 1 1076 . 1 1 95 95 LYS HB2 H 1 1.704 0.030 . 2 . . . . 95 LYS HB2 . 10100 1 1077 . 1 1 95 95 LYS HB3 H 1 1.638 0.030 . 2 . . . . 95 LYS HB3 . 10100 1 1078 . 1 1 95 95 LYS HG2 H 1 1.290 0.030 . 2 . . . . 95 LYS HG2 . 10100 1 1079 . 1 1 95 95 LYS HG3 H 1 1.191 0.030 . 2 . . . . 95 LYS HG3 . 10100 1 1080 . 1 1 95 95 LYS HD2 H 1 1.587 0.030 . 1 . . . . 95 LYS HD2 . 10100 1 1081 . 1 1 95 95 LYS HD3 H 1 1.587 0.030 . 1 . . . . 95 LYS HD3 . 10100 1 1082 . 1 1 95 95 LYS HE2 H 1 2.960 0.030 . 1 . . . . 95 LYS HE2 . 10100 1 1083 . 1 1 95 95 LYS HE3 H 1 2.960 0.030 . 1 . . . . 95 LYS HE3 . 10100 1 1084 . 1 1 95 95 LYS C C 13 176.523 0.300 . 1 . . . . 95 LYS C . 10100 1 1085 . 1 1 95 95 LYS CA C 13 57.134 0.300 . 1 . . . . 95 LYS CA . 10100 1 1086 . 1 1 95 95 LYS CB C 13 32.851 0.300 . 1 . . . . 95 LYS CB . 10100 1 1087 . 1 1 95 95 LYS CG C 13 25.333 0.300 . 1 . . . . 95 LYS CG . 10100 1 1088 . 1 1 95 95 LYS CD C 13 29.230 0.300 . 1 . . . . 95 LYS CD . 10100 1 1089 . 1 1 95 95 LYS CE C 13 42.089 0.300 . 1 . . . . 95 LYS CE . 10100 1 1090 . 1 1 95 95 LYS N N 15 127.026 0.300 . 1 . . . . 95 LYS N . 10100 1 1091 . 1 1 96 96 VAL H H 1 8.063 0.030 . 1 . . . . 96 VAL H . 10100 1 1092 . 1 1 96 96 VAL HA H 1 4.067 0.030 . 1 . . . . 96 VAL HA . 10100 1 1093 . 1 1 96 96 VAL HB H 1 1.869 0.030 . 1 . . . . 96 VAL HB . 10100 1 1094 . 1 1 96 96 VAL HG11 H 1 0.776 0.030 . 1 . . . . 96 VAL HG1 . 10100 1 1095 . 1 1 96 96 VAL HG12 H 1 0.776 0.030 . 1 . . . . 96 VAL HG1 . 10100 1 1096 . 1 1 96 96 VAL HG13 H 1 0.776 0.030 . 1 . . . . 96 VAL HG1 . 10100 1 1097 . 1 1 96 96 VAL HG21 H 1 0.846 0.030 . 1 . . . . 96 VAL HG2 . 10100 1 1098 . 1 1 96 96 VAL HG22 H 1 0.846 0.030 . 1 . . . . 96 VAL HG2 . 10100 1 1099 . 1 1 96 96 VAL HG23 H 1 0.846 0.030 . 1 . . . . 96 VAL HG2 . 10100 1 1100 . 1 1 96 96 VAL C C 13 175.598 0.300 . 1 . . . . 96 VAL C . 10100 1 1101 . 1 1 96 96 VAL CA C 13 61.985 0.300 . 1 . . . . 96 VAL CA . 10100 1 1102 . 1 1 96 96 VAL CB C 13 33.001 0.300 . 1 . . . . 96 VAL CB . 10100 1 1103 . 1 1 96 96 VAL CG1 C 13 20.463 0.300 . 2 . . . . 96 VAL CG1 . 10100 1 1104 . 1 1 96 96 VAL CG2 C 13 21.289 0.300 . 2 . . . . 96 VAL CG2 . 10100 1 1105 . 1 1 96 96 VAL N N 15 123.329 0.300 . 1 . . . . 96 VAL N . 10100 1 1106 . 1 1 97 97 LEU H H 1 8.362 0.030 . 1 . . . . 97 LEU H . 10100 1 1107 . 1 1 97 97 LEU HA H 1 4.469 0.030 . 1 . . . . 97 LEU HA . 10100 1 1108 . 1 1 97 97 LEU HB2 H 1 1.599 0.030 . 2 . . . . 97 LEU HB2 . 10100 1 1109 . 1 1 97 97 LEU HB3 H 1 1.647 0.030 . 2 . . . . 97 LEU HB3 . 10100 1 1110 . 1 1 97 97 LEU HG H 1 1.610 0.030 . 1 . . . . 97 LEU HG . 10100 1 1111 . 1 1 97 97 LEU HD11 H 1 0.921 0.030 . 1 . . . . 97 LEU HD1 . 10100 1 1112 . 1 1 97 97 LEU HD12 H 1 0.921 0.030 . 1 . . . . 97 LEU HD1 . 10100 1 1113 . 1 1 97 97 LEU HD13 H 1 0.921 0.030 . 1 . . . . 97 LEU HD1 . 10100 1 1114 . 1 1 97 97 LEU HD21 H 1 0.855 0.030 . 1 . . . . 97 LEU HD2 . 10100 1 1115 . 1 1 97 97 LEU HD22 H 1 0.855 0.030 . 1 . . . . 97 LEU HD2 . 10100 1 1116 . 1 1 97 97 LEU HD23 H 1 0.855 0.030 . 1 . . . . 97 LEU HD2 . 10100 1 1117 . 1 1 97 97 LEU C C 13 177.035 0.300 . 1 . . . . 97 LEU C . 10100 1 1118 . 1 1 97 97 LEU CA C 13 54.788 0.300 . 1 . . . . 97 LEU CA . 10100 1 1119 . 1 1 97 97 LEU CB C 13 42.443 0.300 . 1 . . . . 97 LEU CB . 10100 1 1120 . 1 1 97 97 LEU CG C 13 27.087 0.300 . 1 . . . . 97 LEU CG . 10100 1 1121 . 1 1 97 97 LEU CD1 C 13 24.943 0.300 . 2 . . . . 97 LEU CD1 . 10100 1 1122 . 1 1 97 97 LEU CD2 C 13 23.460 0.300 . 2 . . . . 97 LEU CD2 . 10100 1 1123 . 1 1 97 97 LEU N N 15 126.512 0.300 . 1 . . . . 97 LEU N . 10100 1 1124 . 1 1 98 98 SER H H 1 8.290 0.030 . 1 . . . . 98 SER H . 10100 1 1125 . 1 1 98 98 SER HA H 1 4.477 0.030 . 1 . . . . 98 SER HA . 10100 1 1126 . 1 1 98 98 SER HB2 H 1 3.842 0.030 . 1 . . . . 98 SER HB2 . 10100 1 1127 . 1 1 98 98 SER HB3 H 1 3.842 0.030 . 1 . . . . 98 SER HB3 . 10100 1 1128 . 1 1 98 98 SER C C 13 174.407 0.300 . 1 . . . . 98 SER C . 10100 1 1129 . 1 1 98 98 SER CA C 13 58.156 0.300 . 1 . . . . 98 SER CA . 10100 1 1130 . 1 1 98 98 SER CB C 13 64.263 0.300 . 1 . . . . 98 SER CB . 10100 1 1131 . 1 1 98 98 SER N N 15 117.083 0.300 . 1 . . . . 98 SER N . 10100 1 1132 . 1 1 99 99 GLY H H 1 8.248 0.030 . 1 . . . . 99 GLY H . 10100 1 1133 . 1 1 99 99 GLY HA2 H 1 4.161 0.030 . 2 . . . . 99 GLY HA2 . 10100 1 1134 . 1 1 99 99 GLY HA3 H 1 4.104 0.030 . 2 . . . . 99 GLY HA3 . 10100 1 1135 . 1 1 99 99 GLY C C 13 171.790 0.300 . 1 . . . . 99 GLY C . 10100 1 1136 . 1 1 99 99 GLY CA C 13 44.671 0.300 . 1 . . . . 99 GLY CA . 10100 1 1137 . 1 1 99 99 GLY N N 15 110.664 0.300 . 1 . . . . 99 GLY N . 10100 1 1138 . 1 1 100 100 PRO HA H 1 4.479 0.030 . 1 . . . . 100 PRO HA . 10100 1 1139 . 1 1 100 100 PRO HB2 H 1 2.306 0.030 . 2 . . . . 100 PRO HB2 . 10100 1 1140 . 1 1 100 100 PRO HB3 H 1 1.984 0.030 . 2 . . . . 100 PRO HB3 . 10100 1 1141 . 1 1 100 100 PRO HG2 H 1 2.027 0.030 . 1 . . . . 100 PRO HG2 . 10100 1 1142 . 1 1 100 100 PRO HG3 H 1 2.027 0.030 . 1 . . . . 100 PRO HG3 . 10100 1 1143 . 1 1 100 100 PRO HD2 H 1 3.636 0.030 . 1 . . . . 100 PRO HD2 . 10100 1 1144 . 1 1 100 100 PRO HD3 H 1 3.636 0.030 . 1 . . . . 100 PRO HD3 . 10100 1 1145 . 1 1 100 100 PRO CA C 13 63.356 0.300 . 1 . . . . 100 PRO CA . 10100 1 1146 . 1 1 100 100 PRO CB C 13 32.280 0.300 . 1 . . . . 100 PRO CB . 10100 1 1147 . 1 1 100 100 PRO CG C 13 27.004 0.300 . 1 . . . . 100 PRO CG . 10100 1 1148 . 1 1 100 100 PRO CD C 13 49.755 0.300 . 1 . . . . 100 PRO CD . 10100 1 1149 . 1 1 101 101 SER H H 1 8.514 0.030 . 1 . . . . 101 SER H . 10100 1 1150 . 1 1 101 101 SER C C 13 174.649 0.300 . 1 . . . . 101 SER C . 10100 1 1151 . 1 1 101 101 SER CA C 13 58.386 0.300 . 1 . . . . 101 SER CA . 10100 1 1152 . 1 1 101 101 SER N N 15 116.249 0.300 . 1 . . . . 101 SER N . 10100 1 stop_ save_