data_11204 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11204 _Entry.Title ; Solution structure of the second PDZ domain of harmonin protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-22 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-21 _Entry.Original_release_date 2011-07-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 X. Qin . . . 11204 2 F. Hayashi . . . 11204 3 S. Yokoyama . . . 11204 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11204 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11204 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 463 11204 '15N chemical shifts' 107 11204 '1H chemical shifts' 738 11204 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 . . 2011-07-21 2010-07-22 original author . 11204 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X5N 'BMRB Entry Tracking System' 11204 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11204 _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 second PDZ domain of harmonin 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 X. Qin . . . 11204 1 2 F. Hayashi . . . 11204 1 3 S. Yokoyama . . . 11204 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11204 _Assembly.ID 1 _Assembly.Name Harmonin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PDZ domain of harmonin protein' 1 $entity_1 A . yes native no no . . . 11204 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1x5n . . . . . . 11204 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11204 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGSPGNRENKEKKVF ISLVGSRGLGCSISSGPIQK PGIFISHVKPGSLSAEVGLE IGDQIVEVNGVDFSNLDHKE AVNVLKSSRSLTISIVAAAG RELFMTDRSGPSSG ; _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 114 _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 1X5N . "Solution Structure Of The Second Pdz Domain Of Harmonin Protein" . . . . . 100.00 114 100.00 100.00 2.26e-71 . . . . 11204 1 2 no PDB 2KBS . "Solution Structure Of Harmonin Pdz2 In Complex With The Carboxyl Tail Peptide Of Cadherin23" . . . . . 80.70 92 100.00 100.00 6.47e-56 . . . . 11204 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 11204 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 . 11204 1 2 . SER . 11204 1 3 . SER . 11204 1 4 . GLY . 11204 1 5 . SER . 11204 1 6 . SER . 11204 1 7 . GLY . 11204 1 8 . SER . 11204 1 9 . PRO . 11204 1 10 . GLY . 11204 1 11 . ASN . 11204 1 12 . ARG . 11204 1 13 . GLU . 11204 1 14 . ASN . 11204 1 15 . LYS . 11204 1 16 . GLU . 11204 1 17 . LYS . 11204 1 18 . LYS . 11204 1 19 . VAL . 11204 1 20 . PHE . 11204 1 21 . ILE . 11204 1 22 . SER . 11204 1 23 . LEU . 11204 1 24 . VAL . 11204 1 25 . GLY . 11204 1 26 . SER . 11204 1 27 . ARG . 11204 1 28 . GLY . 11204 1 29 . LEU . 11204 1 30 . GLY . 11204 1 31 . CYS . 11204 1 32 . SER . 11204 1 33 . ILE . 11204 1 34 . SER . 11204 1 35 . SER . 11204 1 36 . GLY . 11204 1 37 . PRO . 11204 1 38 . ILE . 11204 1 39 . GLN . 11204 1 40 . LYS . 11204 1 41 . PRO . 11204 1 42 . GLY . 11204 1 43 . ILE . 11204 1 44 . PHE . 11204 1 45 . ILE . 11204 1 46 . SER . 11204 1 47 . HIS . 11204 1 48 . VAL . 11204 1 49 . LYS . 11204 1 50 . PRO . 11204 1 51 . GLY . 11204 1 52 . SER . 11204 1 53 . LEU . 11204 1 54 . SER . 11204 1 55 . ALA . 11204 1 56 . GLU . 11204 1 57 . VAL . 11204 1 58 . GLY . 11204 1 59 . LEU . 11204 1 60 . GLU . 11204 1 61 . ILE . 11204 1 62 . GLY . 11204 1 63 . ASP . 11204 1 64 . GLN . 11204 1 65 . ILE . 11204 1 66 . VAL . 11204 1 67 . GLU . 11204 1 68 . VAL . 11204 1 69 . ASN . 11204 1 70 . GLY . 11204 1 71 . VAL . 11204 1 72 . ASP . 11204 1 73 . PHE . 11204 1 74 . SER . 11204 1 75 . ASN . 11204 1 76 . LEU . 11204 1 77 . ASP . 11204 1 78 . HIS . 11204 1 79 . LYS . 11204 1 80 . GLU . 11204 1 81 . ALA . 11204 1 82 . VAL . 11204 1 83 . ASN . 11204 1 84 . VAL . 11204 1 85 . LEU . 11204 1 86 . LYS . 11204 1 87 . SER . 11204 1 88 . SER . 11204 1 89 . ARG . 11204 1 90 . SER . 11204 1 91 . LEU . 11204 1 92 . THR . 11204 1 93 . ILE . 11204 1 94 . SER . 11204 1 95 . ILE . 11204 1 96 . VAL . 11204 1 97 . ALA . 11204 1 98 . ALA . 11204 1 99 . ALA . 11204 1 100 . GLY . 11204 1 101 . ARG . 11204 1 102 . GLU . 11204 1 103 . LEU . 11204 1 104 . PHE . 11204 1 105 . MET . 11204 1 106 . THR . 11204 1 107 . ASP . 11204 1 108 . ARG . 11204 1 109 . SER . 11204 1 110 . GLY . 11204 1 111 . PRO . 11204 1 112 . SER . 11204 1 113 . SER . 11204 1 114 . GLY . 11204 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 11204 1 . SER 2 2 11204 1 . SER 3 3 11204 1 . GLY 4 4 11204 1 . SER 5 5 11204 1 . SER 6 6 11204 1 . GLY 7 7 11204 1 . SER 8 8 11204 1 . PRO 9 9 11204 1 . GLY 10 10 11204 1 . ASN 11 11 11204 1 . ARG 12 12 11204 1 . GLU 13 13 11204 1 . ASN 14 14 11204 1 . LYS 15 15 11204 1 . GLU 16 16 11204 1 . LYS 17 17 11204 1 . LYS 18 18 11204 1 . VAL 19 19 11204 1 . PHE 20 20 11204 1 . ILE 21 21 11204 1 . SER 22 22 11204 1 . LEU 23 23 11204 1 . VAL 24 24 11204 1 . GLY 25 25 11204 1 . SER 26 26 11204 1 . ARG 27 27 11204 1 . GLY 28 28 11204 1 . LEU 29 29 11204 1 . GLY 30 30 11204 1 . CYS 31 31 11204 1 . SER 32 32 11204 1 . ILE 33 33 11204 1 . SER 34 34 11204 1 . SER 35 35 11204 1 . GLY 36 36 11204 1 . PRO 37 37 11204 1 . ILE 38 38 11204 1 . GLN 39 39 11204 1 . LYS 40 40 11204 1 . PRO 41 41 11204 1 . GLY 42 42 11204 1 . ILE 43 43 11204 1 . PHE 44 44 11204 1 . ILE 45 45 11204 1 . SER 46 46 11204 1 . HIS 47 47 11204 1 . VAL 48 48 11204 1 . LYS 49 49 11204 1 . PRO 50 50 11204 1 . GLY 51 51 11204 1 . SER 52 52 11204 1 . LEU 53 53 11204 1 . SER 54 54 11204 1 . ALA 55 55 11204 1 . GLU 56 56 11204 1 . VAL 57 57 11204 1 . GLY 58 58 11204 1 . LEU 59 59 11204 1 . GLU 60 60 11204 1 . ILE 61 61 11204 1 . GLY 62 62 11204 1 . ASP 63 63 11204 1 . GLN 64 64 11204 1 . ILE 65 65 11204 1 . VAL 66 66 11204 1 . GLU 67 67 11204 1 . VAL 68 68 11204 1 . ASN 69 69 11204 1 . GLY 70 70 11204 1 . VAL 71 71 11204 1 . ASP 72 72 11204 1 . PHE 73 73 11204 1 . SER 74 74 11204 1 . ASN 75 75 11204 1 . LEU 76 76 11204 1 . ASP 77 77 11204 1 . HIS 78 78 11204 1 . LYS 79 79 11204 1 . GLU 80 80 11204 1 . ALA 81 81 11204 1 . VAL 82 82 11204 1 . ASN 83 83 11204 1 . VAL 84 84 11204 1 . LEU 85 85 11204 1 . LYS 86 86 11204 1 . SER 87 87 11204 1 . SER 88 88 11204 1 . ARG 89 89 11204 1 . SER 90 90 11204 1 . LEU 91 91 11204 1 . THR 92 92 11204 1 . ILE 93 93 11204 1 . SER 94 94 11204 1 . ILE 95 95 11204 1 . VAL 96 96 11204 1 . ALA 97 97 11204 1 . ALA 98 98 11204 1 . ALA 99 99 11204 1 . GLY 100 100 11204 1 . ARG 101 101 11204 1 . GLU 102 102 11204 1 . LEU 103 103 11204 1 . PHE 104 104 11204 1 . MET 105 105 11204 1 . THR 106 106 11204 1 . ASP 107 107 11204 1 . ARG 108 108 11204 1 . SER 109 109 11204 1 . GLY 110 110 11204 1 . PRO 111 111 11204 1 . SER 112 112 11204 1 . SER 113 113 11204 1 . GLY 114 114 11204 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 11204 _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 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11204 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 11204 _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' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . p040510-04 . . . . . . 11204 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11204 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.13mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.13 . . mM . . . . 11204 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11204 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11204 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11204 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11204 1 6 H2O . . . . . . solvent 90 . . % . . . . 11204 1 7 D2O . . . . . . solvent 10 . . % . . . . 11204 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 11204 _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 11204 1 pH 7.0 0.05 pH 11204 1 pressure 1 0.001 atm 11204 1 temperature 298 0.1 K 11204 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11204 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11204 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11204 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11204 _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.' . . 11204 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11204 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11204 _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.' . . 11204 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11204 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11204 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9296 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11204 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11204 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11204 _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.' . . 11204 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11204 5 'structure solution' 11204 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11204 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11204 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 11204 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11204 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11204 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11204 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11204 _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 . . . . . . . . . 11204 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11204 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11204 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 11204 _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 15N-separated NOESY' 1 $sample_1 isotropic 11204 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11204 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11204 1 2 $NMRPipe . . 11204 1 3 $NMRView . . 11204 1 4 $Kujira . . 11204 1 5 $CYANA . . 11204 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.880 0.030 . 1 . . . . 1 GLY HA2 . 11204 1 2 . 1 1 1 1 GLY HA3 H 1 3.880 0.030 . 1 . . . . 1 GLY HA3 . 11204 1 3 . 1 1 1 1 GLY CA C 13 43.723 0.300 . 1 . . . . 1 GLY CA . 11204 1 4 . 1 1 6 6 SER HA H 1 4.488 0.030 . 1 . . . . 6 SER HA . 11204 1 5 . 1 1 6 6 SER HB2 H 1 3.920 0.030 . 1 . . . . 6 SER HB2 . 11204 1 6 . 1 1 6 6 SER HB3 H 1 3.920 0.030 . 1 . . . . 6 SER HB3 . 11204 1 7 . 1 1 6 6 SER C C 13 174.985 0.300 . 1 . . . . 6 SER C . 11204 1 8 . 1 1 6 6 SER CA C 13 58.753 0.300 . 1 . . . . 6 SER CA . 11204 1 9 . 1 1 6 6 SER CB C 13 63.888 0.300 . 1 . . . . 6 SER CB . 11204 1 10 . 1 1 7 7 GLY H H 1 8.411 0.030 . 1 . . . . 7 GLY H . 11204 1 11 . 1 1 7 7 GLY HA2 H 1 3.996 0.030 . 1 . . . . 7 GLY HA2 . 11204 1 12 . 1 1 7 7 GLY HA3 H 1 3.996 0.030 . 1 . . . . 7 GLY HA3 . 11204 1 13 . 1 1 7 7 GLY C C 13 173.839 0.300 . 1 . . . . 7 GLY C . 11204 1 14 . 1 1 7 7 GLY CA C 13 45.228 0.300 . 1 . . . . 7 GLY CA . 11204 1 15 . 1 1 7 7 GLY N N 15 110.670 0.300 . 1 . . . . 7 GLY N . 11204 1 16 . 1 1 8 8 SER H H 1 8.215 0.030 . 1 . . . . 8 SER H . 11204 1 17 . 1 1 8 8 SER HA H 1 4.793 0.030 . 1 . . . . 8 SER HA . 11204 1 18 . 1 1 8 8 SER HB2 H 1 3.996 0.030 . 2 . . . . 8 SER HB2 . 11204 1 19 . 1 1 8 8 SER HB3 H 1 3.893 0.030 . 2 . . . . 8 SER HB3 . 11204 1 20 . 1 1 8 8 SER C C 13 172.992 0.300 . 1 . . . . 8 SER C . 11204 1 21 . 1 1 8 8 SER CA C 13 56.426 0.300 . 1 . . . . 8 SER CA . 11204 1 22 . 1 1 8 8 SER CB C 13 63.376 0.300 . 1 . . . . 8 SER CB . 11204 1 23 . 1 1 8 8 SER N N 15 116.839 0.300 . 1 . . . . 8 SER N . 11204 1 24 . 1 1 9 9 PRO HA H 1 4.442 0.030 . 1 . . . . 9 PRO HA . 11204 1 25 . 1 1 9 9 PRO HB2 H 1 2.308 0.030 . 2 . . . . 9 PRO HB2 . 11204 1 26 . 1 1 9 9 PRO HB3 H 1 1.964 0.030 . 2 . . . . 9 PRO HB3 . 11204 1 27 . 1 1 9 9 PRO HD2 H 1 3.828 0.030 . 2 . . . . 9 PRO HD2 . 11204 1 28 . 1 1 9 9 PRO HD3 H 1 3.734 0.030 . 2 . . . . 9 PRO HD3 . 11204 1 29 . 1 1 9 9 PRO HG2 H 1 2.048 0.030 . 1 . . . . 9 PRO HG2 . 11204 1 30 . 1 1 9 9 PRO HG3 H 1 2.048 0.030 . 1 . . . . 9 PRO HG3 . 11204 1 31 . 1 1 9 9 PRO C C 13 177.626 0.300 . 1 . . . . 9 PRO C . 11204 1 32 . 1 1 9 9 PRO CA C 13 63.788 0.300 . 1 . . . . 9 PRO CA . 11204 1 33 . 1 1 9 9 PRO CB C 13 32.101 0.300 . 1 . . . . 9 PRO CB . 11204 1 34 . 1 1 9 9 PRO CD C 13 50.797 0.300 . 1 . . . . 9 PRO CD . 11204 1 35 . 1 1 9 9 PRO CG C 13 27.413 0.300 . 1 . . . . 9 PRO CG . 11204 1 36 . 1 1 10 10 GLY H H 1 8.462 0.030 . 1 . . . . 10 GLY H . 11204 1 37 . 1 1 10 10 GLY HA2 H 1 3.947 0.030 . 1 . . . . 10 GLY HA2 . 11204 1 38 . 1 1 10 10 GLY HA3 H 1 3.947 0.030 . 1 . . . . 10 GLY HA3 . 11204 1 39 . 1 1 10 10 GLY C C 13 173.964 0.300 . 1 . . . . 10 GLY C . 11204 1 40 . 1 1 10 10 GLY CA C 13 45.350 0.300 . 1 . . . . 10 GLY CA . 11204 1 41 . 1 1 10 10 GLY N N 15 108.881 0.300 . 1 . . . . 10 GLY N . 11204 1 42 . 1 1 11 11 ASN H H 1 8.271 0.030 . 1 . . . . 11 ASN H . 11204 1 43 . 1 1 11 11 ASN HA H 1 4.736 0.030 . 1 . . . . 11 ASN HA . 11204 1 44 . 1 1 11 11 ASN HB2 H 1 2.862 0.030 . 2 . . . . 11 ASN HB2 . 11204 1 45 . 1 1 11 11 ASN HB3 H 1 2.772 0.030 . 2 . . . . 11 ASN HB3 . 11204 1 46 . 1 1 11 11 ASN HD21 H 1 7.616 0.030 . 2 . . . . 11 ASN HD21 . 11204 1 47 . 1 1 11 11 ASN HD22 H 1 6.963 0.030 . 2 . . . . 11 ASN HD22 . 11204 1 48 . 1 1 11 11 ASN C C 13 175.407 0.300 . 1 . . . . 11 ASN C . 11204 1 49 . 1 1 11 11 ASN CA C 13 53.316 0.300 . 1 . . . . 11 ASN CA . 11204 1 50 . 1 1 11 11 ASN CB C 13 39.008 0.300 . 1 . . . . 11 ASN CB . 11204 1 51 . 1 1 11 11 ASN N N 15 118.779 0.300 . 1 . . . . 11 ASN N . 11204 1 52 . 1 1 11 11 ASN ND2 N 15 112.697 0.300 . 1 . . . . 11 ASN ND2 . 11204 1 53 . 1 1 12 12 ARG H H 1 8.387 0.030 . 1 . . . . 12 ARG H . 11204 1 54 . 1 1 12 12 ARG HA H 1 4.319 0.030 . 1 . . . . 12 ARG HA . 11204 1 55 . 1 1 12 12 ARG HB2 H 1 1.894 0.030 . 2 . . . . 12 ARG HB2 . 11204 1 56 . 1 1 12 12 ARG HB3 H 1 1.777 0.030 . 2 . . . . 12 ARG HB3 . 11204 1 57 . 1 1 12 12 ARG HD2 H 1 3.194 0.030 . 1 . . . . 12 ARG HD2 . 11204 1 58 . 1 1 12 12 ARG HD3 H 1 3.194 0.030 . 1 . . . . 12 ARG HD3 . 11204 1 59 . 1 1 12 12 ARG HG2 H 1 1.644 0.030 . 2 . . . . 12 ARG HG2 . 11204 1 60 . 1 1 12 12 ARG HG3 H 1 1.616 0.030 . 2 . . . . 12 ARG HG3 . 11204 1 61 . 1 1 12 12 ARG C C 13 176.315 0.300 . 1 . . . . 12 ARG C . 11204 1 62 . 1 1 12 12 ARG CA C 13 56.452 0.300 . 1 . . . . 12 ARG CA . 11204 1 63 . 1 1 12 12 ARG CB C 13 30.678 0.300 . 1 . . . . 12 ARG CB . 11204 1 64 . 1 1 12 12 ARG CD C 13 43.233 0.300 . 1 . . . . 12 ARG CD . 11204 1 65 . 1 1 12 12 ARG CG C 13 27.110 0.300 . 1 . . . . 12 ARG CG . 11204 1 66 . 1 1 12 12 ARG N N 15 121.432 0.300 . 1 . . . . 12 ARG N . 11204 1 67 . 1 1 13 13 GLU H H 1 8.462 0.030 . 1 . . . . 13 GLU H . 11204 1 68 . 1 1 13 13 GLU HA H 1 4.237 0.030 . 1 . . . . 13 GLU HA . 11204 1 69 . 1 1 13 13 GLU HB2 H 1 2.037 0.030 . 2 . . . . 13 GLU HB2 . 11204 1 70 . 1 1 13 13 GLU HB3 H 1 1.945 0.030 . 2 . . . . 13 GLU HB3 . 11204 1 71 . 1 1 13 13 GLU HG2 H 1 2.267 0.030 . 2 . . . . 13 GLU HG2 . 11204 1 72 . 1 1 13 13 GLU HG3 H 1 2.228 0.030 . 2 . . . . 13 GLU HG3 . 11204 1 73 . 1 1 13 13 GLU C C 13 176.272 0.300 . 1 . . . . 13 GLU C . 11204 1 74 . 1 1 13 13 GLU CA C 13 56.900 0.300 . 1 . . . . 13 GLU CA . 11204 1 75 . 1 1 13 13 GLU CB C 13 30.270 0.300 . 1 . . . . 13 GLU CB . 11204 1 76 . 1 1 13 13 GLU CG C 13 36.357 0.300 . 1 . . . . 13 GLU CG . 11204 1 77 . 1 1 13 13 GLU N N 15 121.106 0.300 . 1 . . . . 13 GLU N . 11204 1 78 . 1 1 14 14 ASN H H 1 8.439 0.030 . 1 . . . . 14 ASN H . 11204 1 79 . 1 1 14 14 ASN HA H 1 4.734 0.030 . 1 . . . . 14 ASN HA . 11204 1 80 . 1 1 14 14 ASN HB2 H 1 2.866 0.030 . 2 . . . . 14 ASN HB2 . 11204 1 81 . 1 1 14 14 ASN HB3 H 1 2.771 0.030 . 2 . . . . 14 ASN HB3 . 11204 1 82 . 1 1 14 14 ASN HD21 H 1 7.631 0.030 . 2 . . . . 14 ASN HD21 . 11204 1 83 . 1 1 14 14 ASN HD22 H 1 6.971 0.030 . 2 . . . . 14 ASN HD22 . 11204 1 84 . 1 1 14 14 ASN C C 13 175.022 0.300 . 1 . . . . 14 ASN C . 11204 1 85 . 1 1 14 14 ASN CA C 13 53.435 0.300 . 1 . . . . 14 ASN CA . 11204 1 86 . 1 1 14 14 ASN CB C 13 39.012 0.300 . 1 . . . . 14 ASN CB . 11204 1 87 . 1 1 14 14 ASN N N 15 119.696 0.300 . 1 . . . . 14 ASN N . 11204 1 88 . 1 1 14 14 ASN ND2 N 15 112.679 0.300 . 1 . . . . 14 ASN ND2 . 11204 1 89 . 1 1 15 15 LYS H H 1 8.362 0.030 . 1 . . . . 15 LYS H . 11204 1 90 . 1 1 15 15 LYS HA H 1 4.365 0.030 . 1 . . . . 15 LYS HA . 11204 1 91 . 1 1 15 15 LYS HB2 H 1 1.969 0.030 . 2 . . . . 15 LYS HB2 . 11204 1 92 . 1 1 15 15 LYS HB3 H 1 1.792 0.030 . 2 . . . . 15 LYS HB3 . 11204 1 93 . 1 1 15 15 LYS HD2 H 1 1.695 0.030 . 1 . . . . 15 LYS HD2 . 11204 1 94 . 1 1 15 15 LYS HD3 H 1 1.695 0.030 . 1 . . . . 15 LYS HD3 . 11204 1 95 . 1 1 15 15 LYS HE2 H 1 2.995 0.030 . 1 . . . . 15 LYS HE2 . 11204 1 96 . 1 1 15 15 LYS HE3 H 1 2.995 0.030 . 1 . . . . 15 LYS HE3 . 11204 1 97 . 1 1 15 15 LYS HG2 H 1 1.475 0.030 . 2 . . . . 15 LYS HG2 . 11204 1 98 . 1 1 15 15 LYS HG3 H 1 1.427 0.030 . 2 . . . . 15 LYS HG3 . 11204 1 99 . 1 1 15 15 LYS C C 13 176.005 0.300 . 1 . . . . 15 LYS C . 11204 1 100 . 1 1 15 15 LYS CA C 13 56.238 0.300 . 1 . . . . 15 LYS CA . 11204 1 101 . 1 1 15 15 LYS CB C 13 33.275 0.300 . 1 . . . . 15 LYS CB . 11204 1 102 . 1 1 15 15 LYS CD C 13 28.944 0.300 . 1 . . . . 15 LYS CD . 11204 1 103 . 1 1 15 15 LYS CE C 13 42.223 0.300 . 1 . . . . 15 LYS CE . 11204 1 104 . 1 1 15 15 LYS CG C 13 24.799 0.300 . 1 . . . . 15 LYS CG . 11204 1 105 . 1 1 15 15 LYS N N 15 121.302 0.300 . 1 . . . . 15 LYS N . 11204 1 106 . 1 1 16 16 GLU H H 1 8.295 0.030 . 1 . . . . 16 GLU H . 11204 1 107 . 1 1 16 16 GLU HA H 1 4.874 0.030 . 1 . . . . 16 GLU HA . 11204 1 108 . 1 1 16 16 GLU HB2 H 1 1.932 0.030 . 1 . . . . 16 GLU HB2 . 11204 1 109 . 1 1 16 16 GLU HB3 H 1 1.932 0.030 . 1 . . . . 16 GLU HB3 . 11204 1 110 . 1 1 16 16 GLU HG2 H 1 2.205 0.030 . 2 . . . . 16 GLU HG2 . 11204 1 111 . 1 1 16 16 GLU HG3 H 1 2.127 0.030 . 2 . . . . 16 GLU HG3 . 11204 1 112 . 1 1 16 16 GLU C C 13 176.164 0.300 . 1 . . . . 16 GLU C . 11204 1 113 . 1 1 16 16 GLU CA C 13 56.083 0.300 . 1 . . . . 16 GLU CA . 11204 1 114 . 1 1 16 16 GLU CB C 13 30.892 0.300 . 1 . . . . 16 GLU CB . 11204 1 115 . 1 1 16 16 GLU CG C 13 36.671 0.300 . 1 . . . . 16 GLU CG . 11204 1 116 . 1 1 16 16 GLU N N 15 121.650 0.300 . 1 . . . . 16 GLU N . 11204 1 117 . 1 1 17 17 LYS H H 1 8.766 0.030 . 1 . . . . 17 LYS H . 11204 1 118 . 1 1 17 17 LYS HA H 1 4.654 0.030 . 1 . . . . 17 LYS HA . 11204 1 119 . 1 1 17 17 LYS HB2 H 1 1.749 0.030 . 2 . . . . 17 LYS HB2 . 11204 1 120 . 1 1 17 17 LYS HB3 H 1 1.664 0.030 . 2 . . . . 17 LYS HB3 . 11204 1 121 . 1 1 17 17 LYS HD2 H 1 1.618 0.030 . 1 . . . . 17 LYS HD2 . 11204 1 122 . 1 1 17 17 LYS HD3 H 1 1.618 0.030 . 1 . . . . 17 LYS HD3 . 11204 1 123 . 1 1 17 17 LYS HE2 H 1 2.830 0.030 . 1 . . . . 17 LYS HE2 . 11204 1 124 . 1 1 17 17 LYS HE3 H 1 2.830 0.030 . 1 . . . . 17 LYS HE3 . 11204 1 125 . 1 1 17 17 LYS HG2 H 1 1.287 0.030 . 1 . . . . 17 LYS HG2 . 11204 1 126 . 1 1 17 17 LYS HG3 H 1 1.287 0.030 . 1 . . . . 17 LYS HG3 . 11204 1 127 . 1 1 17 17 LYS C C 13 173.961 0.300 . 1 . . . . 17 LYS C . 11204 1 128 . 1 1 17 17 LYS CA C 13 55.183 0.300 . 1 . . . . 17 LYS CA . 11204 1 129 . 1 1 17 17 LYS CB C 13 35.728 0.300 . 1 . . . . 17 LYS CB . 11204 1 130 . 1 1 17 17 LYS CD C 13 29.656 0.300 . 1 . . . . 17 LYS CD . 11204 1 131 . 1 1 17 17 LYS CE C 13 42.226 0.300 . 1 . . . . 17 LYS CE . 11204 1 132 . 1 1 17 17 LYS CG C 13 24.686 0.300 . 1 . . . . 17 LYS CG . 11204 1 133 . 1 1 17 17 LYS N N 15 122.749 0.300 . 1 . . . . 17 LYS N . 11204 1 134 . 1 1 18 18 LYS H H 1 8.405 0.030 . 1 . . . . 18 LYS H . 11204 1 135 . 1 1 18 18 LYS HA H 1 5.286 0.030 . 1 . . . . 18 LYS HA . 11204 1 136 . 1 1 18 18 LYS HB2 H 1 1.617 0.030 . 2 . . . . 18 LYS HB2 . 11204 1 137 . 1 1 18 18 LYS HB3 H 1 1.491 0.030 . 2 . . . . 18 LYS HB3 . 11204 1 138 . 1 1 18 18 LYS HD2 H 1 1.518 0.030 . 1 . . . . 18 LYS HD2 . 11204 1 139 . 1 1 18 18 LYS HD3 H 1 1.518 0.030 . 1 . . . . 18 LYS HD3 . 11204 1 140 . 1 1 18 18 LYS HE2 H 1 2.825 0.030 . 1 . . . . 18 LYS HE2 . 11204 1 141 . 1 1 18 18 LYS HE3 H 1 2.825 0.030 . 1 . . . . 18 LYS HE3 . 11204 1 142 . 1 1 18 18 LYS HG2 H 1 1.287 0.030 . 2 . . . . 18 LYS HG2 . 11204 1 143 . 1 1 18 18 LYS HG3 H 1 1.199 0.030 . 2 . . . . 18 LYS HG3 . 11204 1 144 . 1 1 18 18 LYS C C 13 176.178 0.300 . 1 . . . . 18 LYS C . 11204 1 145 . 1 1 18 18 LYS CA C 13 55.116 0.300 . 1 . . . . 18 LYS CA . 11204 1 146 . 1 1 18 18 LYS CB C 13 34.780 0.300 . 1 . . . . 18 LYS CB . 11204 1 147 . 1 1 18 18 LYS CD C 13 29.344 0.300 . 1 . . . . 18 LYS CD . 11204 1 148 . 1 1 18 18 LYS CE C 13 42.007 0.300 . 1 . . . . 18 LYS CE . 11204 1 149 . 1 1 18 18 LYS CG C 13 24.982 0.300 . 1 . . . . 18 LYS CG . 11204 1 150 . 1 1 18 18 LYS N N 15 123.139 0.300 . 1 . . . . 18 LYS N . 11204 1 151 . 1 1 19 19 VAL H H 1 9.072 0.030 . 1 . . . . 19 VAL H . 11204 1 152 . 1 1 19 19 VAL HA H 1 4.553 0.030 . 1 . . . . 19 VAL HA . 11204 1 153 . 1 1 19 19 VAL HB H 1 1.960 0.030 . 1 . . . . 19 VAL HB . 11204 1 154 . 1 1 19 19 VAL HG11 H 1 0.842 0.030 . 1 . . . . 19 VAL HG1 . 11204 1 155 . 1 1 19 19 VAL HG12 H 1 0.842 0.030 . 1 . . . . 19 VAL HG1 . 11204 1 156 . 1 1 19 19 VAL HG13 H 1 0.842 0.030 . 1 . . . . 19 VAL HG1 . 11204 1 157 . 1 1 19 19 VAL HG21 H 1 0.776 0.030 . 1 . . . . 19 VAL HG2 . 11204 1 158 . 1 1 19 19 VAL HG22 H 1 0.776 0.030 . 1 . . . . 19 VAL HG2 . 11204 1 159 . 1 1 19 19 VAL HG23 H 1 0.776 0.030 . 1 . . . . 19 VAL HG2 . 11204 1 160 . 1 1 19 19 VAL C C 13 173.222 0.300 . 1 . . . . 19 VAL C . 11204 1 161 . 1 1 19 19 VAL CA C 13 59.905 0.300 . 1 . . . . 19 VAL CA . 11204 1 162 . 1 1 19 19 VAL CB C 13 35.120 0.300 . 1 . . . . 19 VAL CB . 11204 1 163 . 1 1 19 19 VAL CG1 C 13 21.196 0.300 . 2 . . . . 19 VAL CG1 . 11204 1 164 . 1 1 19 19 VAL CG2 C 13 20.018 0.300 . 2 . . . . 19 VAL CG2 . 11204 1 165 . 1 1 19 19 VAL N N 15 120.471 0.300 . 1 . . . . 19 VAL N . 11204 1 166 . 1 1 20 20 PHE H H 1 8.513 0.030 . 1 . . . . 20 PHE H . 11204 1 167 . 1 1 20 20 PHE HA H 1 5.465 0.030 . 1 . . . . 20 PHE HA . 11204 1 168 . 1 1 20 20 PHE HB2 H 1 2.943 0.030 . 2 . . . . 20 PHE HB2 . 11204 1 169 . 1 1 20 20 PHE HB3 H 1 2.898 0.030 . 2 . . . . 20 PHE HB3 . 11204 1 170 . 1 1 20 20 PHE HD1 H 1 7.250 0.030 . 1 . . . . 20 PHE HD1 . 11204 1 171 . 1 1 20 20 PHE HD2 H 1 7.250 0.030 . 1 . . . . 20 PHE HD2 . 11204 1 172 . 1 1 20 20 PHE HE1 H 1 7.214 0.030 . 1 . . . . 20 PHE HE1 . 11204 1 173 . 1 1 20 20 PHE HE2 H 1 7.214 0.030 . 1 . . . . 20 PHE HE2 . 11204 1 174 . 1 1 20 20 PHE HZ H 1 7.194 0.030 . 1 . . . . 20 PHE HZ . 11204 1 175 . 1 1 20 20 PHE C C 13 174.560 0.300 . 1 . . . . 20 PHE C . 11204 1 176 . 1 1 20 20 PHE CA C 13 56.260 0.300 . 1 . . . . 20 PHE CA . 11204 1 177 . 1 1 20 20 PHE CB C 13 41.327 0.300 . 1 . . . . 20 PHE CB . 11204 1 178 . 1 1 20 20 PHE CD1 C 13 132.161 0.300 . 1 . . . . 20 PHE CD1 . 11204 1 179 . 1 1 20 20 PHE CD2 C 13 132.161 0.300 . 1 . . . . 20 PHE CD2 . 11204 1 180 . 1 1 20 20 PHE CE1 C 13 130.940 0.300 . 1 . . . . 20 PHE CE1 . 11204 1 181 . 1 1 20 20 PHE CE2 C 13 130.940 0.300 . 1 . . . . 20 PHE CE2 . 11204 1 182 . 1 1 20 20 PHE CZ C 13 129.189 0.300 . 1 . . . . 20 PHE CZ . 11204 1 183 . 1 1 20 20 PHE N N 15 124.114 0.300 . 1 . . . . 20 PHE N . 11204 1 184 . 1 1 21 21 ILE H H 1 8.789 0.030 . 1 . . . . 21 ILE H . 11204 1 185 . 1 1 21 21 ILE HA H 1 4.115 0.030 . 1 . . . . 21 ILE HA . 11204 1 186 . 1 1 21 21 ILE HB H 1 1.530 0.030 . 1 . . . . 21 ILE HB . 11204 1 187 . 1 1 21 21 ILE HD11 H 1 0.614 0.030 . 1 . . . . 21 ILE HD1 . 11204 1 188 . 1 1 21 21 ILE HD12 H 1 0.614 0.030 . 1 . . . . 21 ILE HD1 . 11204 1 189 . 1 1 21 21 ILE HD13 H 1 0.614 0.030 . 1 . . . . 21 ILE HD1 . 11204 1 190 . 1 1 21 21 ILE HG12 H 1 1.366 0.030 . 2 . . . . 21 ILE HG12 . 11204 1 191 . 1 1 21 21 ILE HG13 H 1 0.887 0.030 . 2 . . . . 21 ILE HG13 . 11204 1 192 . 1 1 21 21 ILE HG21 H 1 0.704 0.030 . 1 . . . . 21 ILE HG2 . 11204 1 193 . 1 1 21 21 ILE HG22 H 1 0.704 0.030 . 1 . . . . 21 ILE HG2 . 11204 1 194 . 1 1 21 21 ILE HG23 H 1 0.704 0.030 . 1 . . . . 21 ILE HG2 . 11204 1 195 . 1 1 21 21 ILE C C 13 173.953 0.300 . 1 . . . . 21 ILE C . 11204 1 196 . 1 1 21 21 ILE CA C 13 60.098 0.300 . 1 . . . . 21 ILE CA . 11204 1 197 . 1 1 21 21 ILE CB C 13 41.580 0.300 . 1 . . . . 21 ILE CB . 11204 1 198 . 1 1 21 21 ILE CD1 C 13 14.193 0.300 . 1 . . . . 21 ILE CD1 . 11204 1 199 . 1 1 21 21 ILE CG1 C 13 27.530 0.300 . 1 . . . . 21 ILE CG1 . 11204 1 200 . 1 1 21 21 ILE CG2 C 13 18.660 0.300 . 1 . . . . 21 ILE CG2 . 11204 1 201 . 1 1 21 21 ILE N N 15 125.843 0.300 . 1 . . . . 21 ILE N . 11204 1 202 . 1 1 22 22 SER H H 1 8.320 0.030 . 1 . . . . 22 SER H . 11204 1 203 . 1 1 22 22 SER HA H 1 4.663 0.030 . 1 . . . . 22 SER HA . 11204 1 204 . 1 1 22 22 SER HB2 H 1 3.749 0.030 . 1 . . . . 22 SER HB2 . 11204 1 205 . 1 1 22 22 SER HB3 H 1 3.749 0.030 . 1 . . . . 22 SER HB3 . 11204 1 206 . 1 1 22 22 SER C C 13 174.279 0.300 . 1 . . . . 22 SER C . 11204 1 207 . 1 1 22 22 SER CA C 13 57.115 0.300 . 1 . . . . 22 SER CA . 11204 1 208 . 1 1 22 22 SER CB C 13 63.666 0.300 . 1 . . . . 22 SER CB . 11204 1 209 . 1 1 22 22 SER N N 15 121.564 0.300 . 1 . . . . 22 SER N . 11204 1 210 . 1 1 23 23 LEU H H 1 8.480 0.030 . 1 . . . . 23 LEU H . 11204 1 211 . 1 1 23 23 LEU HA H 1 4.360 0.030 . 1 . . . . 23 LEU HA . 11204 1 212 . 1 1 23 23 LEU HB2 H 1 1.636 0.030 . 2 . . . . 23 LEU HB2 . 11204 1 213 . 1 1 23 23 LEU HB3 H 1 1.578 0.030 . 2 . . . . 23 LEU HB3 . 11204 1 214 . 1 1 23 23 LEU HD11 H 1 0.765 0.030 . 1 . . . . 23 LEU HD1 . 11204 1 215 . 1 1 23 23 LEU HD12 H 1 0.765 0.030 . 1 . . . . 23 LEU HD1 . 11204 1 216 . 1 1 23 23 LEU HD13 H 1 0.765 0.030 . 1 . . . . 23 LEU HD1 . 11204 1 217 . 1 1 23 23 LEU HD21 H 1 0.910 0.030 . 1 . . . . 23 LEU HD2 . 11204 1 218 . 1 1 23 23 LEU HD22 H 1 0.910 0.030 . 1 . . . . 23 LEU HD2 . 11204 1 219 . 1 1 23 23 LEU HD23 H 1 0.910 0.030 . 1 . . . . 23 LEU HD2 . 11204 1 220 . 1 1 23 23 LEU HG H 1 1.458 0.030 . 1 . . . . 23 LEU HG . 11204 1 221 . 1 1 23 23 LEU C C 13 176.135 0.300 . 1 . . . . 23 LEU C . 11204 1 222 . 1 1 23 23 LEU CA C 13 55.160 0.300 . 1 . . . . 23 LEU CA . 11204 1 223 . 1 1 23 23 LEU CB C 13 41.615 0.300 . 1 . . . . 23 LEU CB . 11204 1 224 . 1 1 23 23 LEU CD1 C 13 24.524 0.300 . 2 . . . . 23 LEU CD1 . 11204 1 225 . 1 1 23 23 LEU CD2 C 13 25.397 0.300 . 2 . . . . 23 LEU CD2 . 11204 1 226 . 1 1 23 23 LEU CG C 13 27.465 0.300 . 1 . . . . 23 LEU CG . 11204 1 227 . 1 1 23 23 LEU N N 15 125.627 0.300 . 1 . . . . 23 LEU N . 11204 1 228 . 1 1 24 24 VAL H H 1 7.733 0.030 . 1 . . . . 24 VAL H . 11204 1 229 . 1 1 24 24 VAL HA H 1 4.088 0.030 . 1 . . . . 24 VAL HA . 11204 1 230 . 1 1 24 24 VAL HB H 1 2.019 0.030 . 1 . . . . 24 VAL HB . 11204 1 231 . 1 1 24 24 VAL HG11 H 1 0.935 0.030 . 1 . . . . 24 VAL HG1 . 11204 1 232 . 1 1 24 24 VAL HG12 H 1 0.935 0.030 . 1 . . . . 24 VAL HG1 . 11204 1 233 . 1 1 24 24 VAL HG13 H 1 0.935 0.030 . 1 . . . . 24 VAL HG1 . 11204 1 234 . 1 1 24 24 VAL HG21 H 1 0.902 0.030 . 1 . . . . 24 VAL HG2 . 11204 1 235 . 1 1 24 24 VAL HG22 H 1 0.902 0.030 . 1 . . . . 24 VAL HG2 . 11204 1 236 . 1 1 24 24 VAL HG23 H 1 0.902 0.030 . 1 . . . . 24 VAL HG2 . 11204 1 237 . 1 1 24 24 VAL C C 13 176.409 0.300 . 1 . . . . 24 VAL C . 11204 1 238 . 1 1 24 24 VAL CA C 13 62.092 0.300 . 1 . . . . 24 VAL CA . 11204 1 239 . 1 1 24 24 VAL CB C 13 33.294 0.300 . 1 . . . . 24 VAL CB . 11204 1 240 . 1 1 24 24 VAL CG1 C 13 21.201 0.300 . 2 . . . . 24 VAL CG1 . 11204 1 241 . 1 1 24 24 VAL CG2 C 13 20.623 0.300 . 2 . . . . 24 VAL CG2 . 11204 1 242 . 1 1 24 24 VAL N N 15 121.882 0.300 . 1 . . . . 24 VAL N . 11204 1 243 . 1 1 25 25 GLY H H 1 8.590 0.030 . 1 . . . . 25 GLY H . 11204 1 244 . 1 1 25 25 GLY HA2 H 1 4.042 0.030 . 2 . . . . 25 GLY HA2 . 11204 1 245 . 1 1 25 25 GLY HA3 H 1 3.978 0.030 . 2 . . . . 25 GLY HA3 . 11204 1 246 . 1 1 25 25 GLY C C 13 175.162 0.300 . 1 . . . . 25 GLY C . 11204 1 247 . 1 1 25 25 GLY CA C 13 45.714 0.300 . 1 . . . . 25 GLY CA . 11204 1 248 . 1 1 25 25 GLY N N 15 113.274 0.300 . 1 . . . . 25 GLY N . 11204 1 249 . 1 1 26 26 SER HA H 1 4.467 0.030 . 1 . . . . 26 SER HA . 11204 1 250 . 1 1 26 26 SER HB2 H 1 3.995 0.030 . 2 . . . . 26 SER HB2 . 11204 1 251 . 1 1 26 26 SER HB3 H 1 3.891 0.030 . 2 . . . . 26 SER HB3 . 11204 1 252 . 1 1 26 26 SER C C 13 175.165 0.300 . 1 . . . . 26 SER C . 11204 1 253 . 1 1 26 26 SER CA C 13 58.733 0.300 . 1 . . . . 26 SER CA . 11204 1 254 . 1 1 26 26 SER CB C 13 63.600 0.300 . 1 . . . . 26 SER CB . 11204 1 255 . 1 1 27 27 ARG H H 1 8.037 0.030 . 1 . . . . 27 ARG H . 11204 1 256 . 1 1 27 27 ARG HA H 1 4.302 0.030 . 1 . . . . 27 ARG HA . 11204 1 257 . 1 1 27 27 ARG HB2 H 1 1.989 0.030 . 2 . . . . 27 ARG HB2 . 11204 1 258 . 1 1 27 27 ARG HB3 H 1 1.880 0.030 . 2 . . . . 27 ARG HB3 . 11204 1 259 . 1 1 27 27 ARG HD2 H 1 3.202 0.030 . 2 . . . . 27 ARG HD2 . 11204 1 260 . 1 1 27 27 ARG HD3 H 1 3.272 0.030 . 2 . . . . 27 ARG HD3 . 11204 1 261 . 1 1 27 27 ARG HG2 H 1 1.856 0.030 . 2 . . . . 27 ARG HG2 . 11204 1 262 . 1 1 27 27 ARG HG3 H 1 1.720 0.030 . 2 . . . . 27 ARG HG3 . 11204 1 263 . 1 1 27 27 ARG C C 13 176.669 0.300 . 1 . . . . 27 ARG C . 11204 1 264 . 1 1 27 27 ARG CA C 13 57.161 0.300 . 1 . . . . 27 ARG CA . 11204 1 265 . 1 1 27 27 ARG CB C 13 31.042 0.300 . 1 . . . . 27 ARG CB . 11204 1 266 . 1 1 27 27 ARG CD C 13 43.645 0.300 . 1 . . . . 27 ARG CD . 11204 1 267 . 1 1 27 27 ARG CG C 13 27.189 0.300 . 1 . . . . 27 ARG CG . 11204 1 268 . 1 1 27 27 ARG N N 15 121.337 0.300 . 1 . . . . 27 ARG N . 11204 1 269 . 1 1 28 28 GLY H H 1 8.214 0.030 . 1 . . . . 28 GLY H . 11204 1 270 . 1 1 28 28 GLY HA2 H 1 4.110 0.030 . 2 . . . . 28 GLY HA2 . 11204 1 271 . 1 1 28 28 GLY HA3 H 1 3.983 0.030 . 2 . . . . 28 GLY HA3 . 11204 1 272 . 1 1 28 28 GLY C C 13 173.720 0.300 . 1 . . . . 28 GLY C . 11204 1 273 . 1 1 28 28 GLY CA C 13 44.067 0.300 . 1 . . . . 28 GLY CA . 11204 1 274 . 1 1 28 28 GLY N N 15 107.650 0.300 . 1 . . . . 28 GLY N . 11204 1 275 . 1 1 29 29 LEU H H 1 8.772 0.030 . 1 . . . . 29 LEU H . 11204 1 276 . 1 1 29 29 LEU HA H 1 4.083 0.030 . 1 . . . . 29 LEU HA . 11204 1 277 . 1 1 29 29 LEU HB2 H 1 1.816 0.030 . 2 . . . . 29 LEU HB2 . 11204 1 278 . 1 1 29 29 LEU HB3 H 1 1.715 0.030 . 2 . . . . 29 LEU HB3 . 11204 1 279 . 1 1 29 29 LEU HD11 H 1 0.809 0.030 . 1 . . . . 29 LEU HD1 . 11204 1 280 . 1 1 29 29 LEU HD12 H 1 0.809 0.030 . 1 . . . . 29 LEU HD1 . 11204 1 281 . 1 1 29 29 LEU HD13 H 1 0.809 0.030 . 1 . . . . 29 LEU HD1 . 11204 1 282 . 1 1 29 29 LEU HD21 H 1 0.812 0.030 . 1 . . . . 29 LEU HD2 . 11204 1 283 . 1 1 29 29 LEU HD22 H 1 0.812 0.030 . 1 . . . . 29 LEU HD2 . 11204 1 284 . 1 1 29 29 LEU HD23 H 1 0.812 0.030 . 1 . . . . 29 LEU HD2 . 11204 1 285 . 1 1 29 29 LEU HG H 1 1.677 0.030 . 1 . . . . 29 LEU HG . 11204 1 286 . 1 1 29 29 LEU C C 13 179.796 0.300 . 1 . . . . 29 LEU C . 11204 1 287 . 1 1 29 29 LEU CA C 13 57.998 0.300 . 1 . . . . 29 LEU CA . 11204 1 288 . 1 1 29 29 LEU CB C 13 43.148 0.300 . 1 . . . . 29 LEU CB . 11204 1 289 . 1 1 29 29 LEU CD1 C 13 24.642 0.300 . 2 . . . . 29 LEU CD1 . 11204 1 290 . 1 1 29 29 LEU CD2 C 13 25.452 0.300 . 2 . . . . 29 LEU CD2 . 11204 1 291 . 1 1 29 29 LEU CG C 13 27.483 0.300 . 1 . . . . 29 LEU CG . 11204 1 292 . 1 1 29 29 LEU N N 15 120.352 0.300 . 1 . . . . 29 LEU N . 11204 1 293 . 1 1 30 30 GLY H H 1 8.879 0.030 . 1 . . . . 30 GLY H . 11204 1 294 . 1 1 30 30 GLY HA2 H 1 4.256 0.030 . 2 . . . . 30 GLY HA2 . 11204 1 295 . 1 1 30 30 GLY HA3 H 1 3.842 0.030 . 2 . . . . 30 GLY HA3 . 11204 1 296 . 1 1 30 30 GLY C C 13 172.475 0.300 . 1 . . . . 30 GLY C . 11204 1 297 . 1 1 30 30 GLY CA C 13 46.525 0.300 . 1 . . . . 30 GLY CA . 11204 1 298 . 1 1 31 31 CYS H H 1 7.251 0.030 . 1 . . . . 31 CYS H . 11204 1 299 . 1 1 31 31 CYS HA H 1 5.526 0.030 . 1 . . . . 31 CYS HA . 11204 1 300 . 1 1 31 31 CYS HB2 H 1 3.206 0.030 . 2 . . . . 31 CYS HB2 . 11204 1 301 . 1 1 31 31 CYS HB3 H 1 2.817 0.030 . 2 . . . . 31 CYS HB3 . 11204 1 302 . 1 1 31 31 CYS C C 13 173.347 0.300 . 1 . . . . 31 CYS C . 11204 1 303 . 1 1 31 31 CYS CA C 13 54.761 0.300 . 1 . . . . 31 CYS CA . 11204 1 304 . 1 1 31 31 CYS CB C 13 30.447 0.300 . 1 . . . . 31 CYS CB . 11204 1 305 . 1 1 31 31 CYS N N 15 111.536 0.300 . 1 . . . . 31 CYS N . 11204 1 306 . 1 1 32 32 SER H H 1 8.643 0.030 . 1 . . . . 32 SER H . 11204 1 307 . 1 1 32 32 SER HA H 1 4.998 0.030 . 1 . . . . 32 SER HA . 11204 1 308 . 1 1 32 32 SER HB2 H 1 3.904 0.030 . 2 . . . . 32 SER HB2 . 11204 1 309 . 1 1 32 32 SER HB3 H 1 3.693 0.030 . 2 . . . . 32 SER HB3 . 11204 1 310 . 1 1 32 32 SER C C 13 173.176 0.300 . 1 . . . . 32 SER C . 11204 1 311 . 1 1 32 32 SER CA C 13 56.979 0.300 . 1 . . . . 32 SER CA . 11204 1 312 . 1 1 32 32 SER CB C 13 65.050 0.300 . 1 . . . . 32 SER CB . 11204 1 313 . 1 1 32 32 SER N N 15 118.122 0.300 . 1 . . . . 32 SER N . 11204 1 314 . 1 1 33 33 ILE H H 1 8.687 0.030 . 1 . . . . 33 ILE H . 11204 1 315 . 1 1 33 33 ILE HA H 1 5.527 0.030 . 1 . . . . 33 ILE HA . 11204 1 316 . 1 1 33 33 ILE HB H 1 1.807 0.030 . 1 . . . . 33 ILE HB . 11204 1 317 . 1 1 33 33 ILE HD11 H 1 0.660 0.030 . 1 . . . . 33 ILE HD1 . 11204 1 318 . 1 1 33 33 ILE HD12 H 1 0.660 0.030 . 1 . . . . 33 ILE HD1 . 11204 1 319 . 1 1 33 33 ILE HD13 H 1 0.660 0.030 . 1 . . . . 33 ILE HD1 . 11204 1 320 . 1 1 33 33 ILE HG12 H 1 1.430 0.030 . 2 . . . . 33 ILE HG12 . 11204 1 321 . 1 1 33 33 ILE HG13 H 1 1.037 0.030 . 2 . . . . 33 ILE HG13 . 11204 1 322 . 1 1 33 33 ILE HG21 H 1 0.702 0.030 . 1 . . . . 33 ILE HG2 . 11204 1 323 . 1 1 33 33 ILE HG22 H 1 0.702 0.030 . 1 . . . . 33 ILE HG2 . 11204 1 324 . 1 1 33 33 ILE HG23 H 1 0.702 0.030 . 1 . . . . 33 ILE HG2 . 11204 1 325 . 1 1 33 33 ILE C C 13 175.944 0.300 . 1 . . . . 33 ILE C . 11204 1 326 . 1 1 33 33 ILE CA C 13 58.673 0.300 . 1 . . . . 33 ILE CA . 11204 1 327 . 1 1 33 33 ILE CB C 13 42.481 0.300 . 1 . . . . 33 ILE CB . 11204 1 328 . 1 1 33 33 ILE CD1 C 13 15.084 0.300 . 1 . . . . 33 ILE CD1 . 11204 1 329 . 1 1 33 33 ILE CG1 C 13 25.311 0.300 . 1 . . . . 33 ILE CG1 . 11204 1 330 . 1 1 33 33 ILE CG2 C 13 19.021 0.300 . 1 . . . . 33 ILE CG2 . 11204 1 331 . 1 1 33 33 ILE N N 15 115.951 0.300 . 1 . . . . 33 ILE N . 11204 1 332 . 1 1 34 34 SER H H 1 9.526 0.030 . 1 . . . . 34 SER H . 11204 1 333 . 1 1 34 34 SER HA H 1 4.865 0.030 . 1 . . . . 34 SER HA . 11204 1 334 . 1 1 34 34 SER HB2 H 1 3.930 0.030 . 2 . . . . 34 SER HB2 . 11204 1 335 . 1 1 34 34 SER HB3 H 1 3.692 0.030 . 2 . . . . 34 SER HB3 . 11204 1 336 . 1 1 34 34 SER C C 13 173.250 0.300 . 1 . . . . 34 SER C . 11204 1 337 . 1 1 34 34 SER CA C 13 57.282 0.300 . 1 . . . . 34 SER CA . 11204 1 338 . 1 1 34 34 SER CB C 13 67.337 0.300 . 1 . . . . 34 SER CB . 11204 1 339 . 1 1 34 34 SER N N 15 116.234 0.300 . 1 . . . . 34 SER N . 11204 1 340 . 1 1 35 35 SER H H 1 8.817 0.030 . 1 . . . . 35 SER H . 11204 1 341 . 1 1 35 35 SER HA H 1 5.606 0.030 . 1 . . . . 35 SER HA . 11204 1 342 . 1 1 35 35 SER HB2 H 1 4.041 0.030 . 2 . . . . 35 SER HB2 . 11204 1 343 . 1 1 35 35 SER HB3 H 1 3.910 0.030 . 2 . . . . 35 SER HB3 . 11204 1 344 . 1 1 35 35 SER C C 13 176.355 0.300 . 1 . . . . 35 SER C . 11204 1 345 . 1 1 35 35 SER CA C 13 58.657 0.300 . 1 . . . . 35 SER CA . 11204 1 346 . 1 1 35 35 SER CB C 13 64.617 0.300 . 1 . . . . 35 SER CB . 11204 1 347 . 1 1 35 35 SER N N 15 119.935 0.300 . 1 . . . . 35 SER N . 11204 1 348 . 1 1 36 36 GLY H H 1 9.771 0.030 . 1 . . . . 36 GLY H . 11204 1 349 . 1 1 36 36 GLY HA2 H 1 4.683 0.030 . 2 . . . . 36 GLY HA2 . 11204 1 350 . 1 1 36 36 GLY HA3 H 1 4.210 0.030 . 2 . . . . 36 GLY HA3 . 11204 1 351 . 1 1 36 36 GLY C C 13 172.095 0.300 . 1 . . . . 36 GLY C . 11204 1 352 . 1 1 36 36 GLY CA C 13 44.400 0.300 . 1 . . . . 36 GLY CA . 11204 1 353 . 1 1 36 36 GLY N N 15 112.494 0.300 . 1 . . . . 36 GLY N . 11204 1 354 . 1 1 37 37 PRO HA H 1 4.696 0.030 . 1 . . . . 37 PRO HA . 11204 1 355 . 1 1 37 37 PRO HB2 H 1 2.403 0.030 . 2 . . . . 37 PRO HB2 . 11204 1 356 . 1 1 37 37 PRO HB3 H 1 2.192 0.030 . 2 . . . . 37 PRO HB3 . 11204 1 357 . 1 1 37 37 PRO HD2 H 1 3.665 0.030 . 2 . . . . 37 PRO HD2 . 11204 1 358 . 1 1 37 37 PRO HD3 H 1 3.445 0.030 . 2 . . . . 37 PRO HD3 . 11204 1 359 . 1 1 37 37 PRO HG2 H 1 2.014 0.030 . 2 . . . . 37 PRO HG2 . 11204 1 360 . 1 1 37 37 PRO HG3 H 1 1.442 0.030 . 2 . . . . 37 PRO HG3 . 11204 1 361 . 1 1 37 37 PRO C C 13 176.934 0.300 . 1 . . . . 37 PRO C . 11204 1 362 . 1 1 37 37 PRO CA C 13 62.527 0.300 . 1 . . . . 37 PRO CA . 11204 1 363 . 1 1 37 37 PRO CB C 13 32.631 0.300 . 1 . . . . 37 PRO CB . 11204 1 364 . 1 1 37 37 PRO CD C 13 48.903 0.300 . 1 . . . . 37 PRO CD . 11204 1 365 . 1 1 37 37 PRO CG C 13 26.477 0.300 . 1 . . . . 37 PRO CG . 11204 1 366 . 1 1 38 38 ILE H H 1 8.414 0.030 . 1 . . . . 38 ILE H . 11204 1 367 . 1 1 38 38 ILE HA H 1 3.843 0.030 . 1 . . . . 38 ILE HA . 11204 1 368 . 1 1 38 38 ILE HB H 1 1.842 0.030 . 1 . . . . 38 ILE HB . 11204 1 369 . 1 1 38 38 ILE HD11 H 1 0.910 0.030 . 1 . . . . 38 ILE HD1 . 11204 1 370 . 1 1 38 38 ILE HD12 H 1 0.910 0.030 . 1 . . . . 38 ILE HD1 . 11204 1 371 . 1 1 38 38 ILE HD13 H 1 0.910 0.030 . 1 . . . . 38 ILE HD1 . 11204 1 372 . 1 1 38 38 ILE HG12 H 1 1.505 0.030 . 2 . . . . 38 ILE HG12 . 11204 1 373 . 1 1 38 38 ILE HG13 H 1 1.272 0.030 . 2 . . . . 38 ILE HG13 . 11204 1 374 . 1 1 38 38 ILE HG21 H 1 0.969 0.030 . 1 . . . . 38 ILE HG2 . 11204 1 375 . 1 1 38 38 ILE HG22 H 1 0.969 0.030 . 1 . . . . 38 ILE HG2 . 11204 1 376 . 1 1 38 38 ILE HG23 H 1 0.969 0.030 . 1 . . . . 38 ILE HG2 . 11204 1 377 . 1 1 38 38 ILE C C 13 177.275 0.300 . 1 . . . . 38 ILE C . 11204 1 378 . 1 1 38 38 ILE CA C 13 64.296 0.300 . 1 . . . . 38 ILE CA . 11204 1 379 . 1 1 38 38 ILE CB C 13 38.215 0.300 . 1 . . . . 38 ILE CB . 11204 1 380 . 1 1 38 38 ILE CD1 C 13 13.559 0.300 . 1 . . . . 38 ILE CD1 . 11204 1 381 . 1 1 38 38 ILE CG1 C 13 28.190 0.300 . 1 . . . . 38 ILE CG1 . 11204 1 382 . 1 1 38 38 ILE CG2 C 13 17.568 0.300 . 1 . . . . 38 ILE CG2 . 11204 1 383 . 1 1 38 38 ILE N N 15 117.729 0.300 . 1 . . . . 38 ILE N . 11204 1 384 . 1 1 39 39 GLN H H 1 8.397 0.030 . 1 . . . . 39 GLN H . 11204 1 385 . 1 1 39 39 GLN HA H 1 4.257 0.030 . 1 . . . . 39 GLN HA . 11204 1 386 . 1 1 39 39 GLN HB2 H 1 2.055 0.030 . 1 . . . . 39 GLN HB2 . 11204 1 387 . 1 1 39 39 GLN HB3 H 1 2.055 0.030 . 1 . . . . 39 GLN HB3 . 11204 1 388 . 1 1 39 39 GLN HE21 H 1 7.601 0.030 . 2 . . . . 39 GLN HE21 . 11204 1 389 . 1 1 39 39 GLN HE22 H 1 6.886 0.030 . 2 . . . . 39 GLN HE22 . 11204 1 390 . 1 1 39 39 GLN HG2 H 1 2.480 0.030 . 2 . . . . 39 GLN HG2 . 11204 1 391 . 1 1 39 39 GLN HG3 H 1 2.351 0.030 . 2 . . . . 39 GLN HG3 . 11204 1 392 . 1 1 39 39 GLN C C 13 176.219 0.300 . 1 . . . . 39 GLN C . 11204 1 393 . 1 1 39 39 GLN CA C 13 57.105 0.300 . 1 . . . . 39 GLN CA . 11204 1 394 . 1 1 39 39 GLN CB C 13 27.648 0.300 . 1 . . . . 39 GLN CB . 11204 1 395 . 1 1 39 39 GLN CG C 13 33.413 0.300 . 1 . . . . 39 GLN CG . 11204 1 396 . 1 1 39 39 GLN N N 15 115.646 0.300 . 1 . . . . 39 GLN N . 11204 1 397 . 1 1 39 39 GLN NE2 N 15 111.591 0.300 . 1 . . . . 39 GLN NE2 . 11204 1 398 . 1 1 40 40 LYS H H 1 7.787 0.030 . 1 . . . . 40 LYS H . 11204 1 399 . 1 1 40 40 LYS HA H 1 4.485 0.030 . 1 . . . . 40 LYS HA . 11204 1 400 . 1 1 40 40 LYS HB2 H 1 1.702 0.030 . 2 . . . . 40 LYS HB2 . 11204 1 401 . 1 1 40 40 LYS HB3 H 1 1.381 0.030 . 2 . . . . 40 LYS HB3 . 11204 1 402 . 1 1 40 40 LYS HD2 H 1 1.608 0.030 . 2 . . . . 40 LYS HD2 . 11204 1 403 . 1 1 40 40 LYS HD3 H 1 1.556 0.030 . 2 . . . . 40 LYS HD3 . 11204 1 404 . 1 1 40 40 LYS HE2 H 1 2.956 0.030 . 2 . . . . 40 LYS HE2 . 11204 1 405 . 1 1 40 40 LYS HE3 H 1 2.900 0.030 . 2 . . . . 40 LYS HE3 . 11204 1 406 . 1 1 40 40 LYS HG2 H 1 1.452 0.030 . 2 . . . . 40 LYS HG2 . 11204 1 407 . 1 1 40 40 LYS HG3 H 1 1.360 0.030 . 2 . . . . 40 LYS HG3 . 11204 1 408 . 1 1 40 40 LYS C C 13 168.909 0.300 . 1 . . . . 40 LYS C . 11204 1 409 . 1 1 40 40 LYS CA C 13 54.443 0.300 . 1 . . . . 40 LYS CA . 11204 1 410 . 1 1 40 40 LYS CB C 13 32.947 0.300 . 1 . . . . 40 LYS CB . 11204 1 411 . 1 1 40 40 LYS CD C 13 29.153 0.300 . 1 . . . . 40 LYS CD . 11204 1 412 . 1 1 40 40 LYS CE C 13 42.152 0.300 . 1 . . . . 40 LYS CE . 11204 1 413 . 1 1 40 40 LYS CG C 13 25.250 0.300 . 1 . . . . 40 LYS CG . 11204 1 414 . 1 1 40 40 LYS N N 15 123.632 0.300 . 1 . . . . 40 LYS N . 11204 1 415 . 1 1 41 41 PRO HA H 1 4.441 0.030 . 1 . . . . 41 PRO HA . 11204 1 416 . 1 1 41 41 PRO HB2 H 1 2.191 0.030 . 2 . . . . 41 PRO HB2 . 11204 1 417 . 1 1 41 41 PRO HB3 H 1 1.976 0.030 . 2 . . . . 41 PRO HB3 . 11204 1 418 . 1 1 41 41 PRO HD2 H 1 3.548 0.030 . 2 . . . . 41 PRO HD2 . 11204 1 419 . 1 1 41 41 PRO HD3 H 1 3.436 0.030 . 2 . . . . 41 PRO HD3 . 11204 1 420 . 1 1 41 41 PRO HG2 H 1 1.980 0.030 . 1 . . . . 41 PRO HG2 . 11204 1 421 . 1 1 41 41 PRO HG3 H 1 1.980 0.030 . 1 . . . . 41 PRO HG3 . 11204 1 422 . 1 1 41 41 PRO C C 13 177.681 0.300 . 1 . . . . 41 PRO C . 11204 1 423 . 1 1 41 41 PRO CA C 13 62.874 0.300 . 1 . . . . 41 PRO CA . 11204 1 424 . 1 1 41 41 PRO CB C 13 33.034 0.300 . 1 . . . . 41 PRO CB . 11204 1 425 . 1 1 41 41 PRO CD C 13 49.311 0.300 . 1 . . . . 41 PRO CD . 11204 1 426 . 1 1 41 41 PRO CG C 13 27.275 0.300 . 1 . . . . 41 PRO CG . 11204 1 427 . 1 1 42 42 GLY H H 1 8.788 0.030 . 1 . . . . 42 GLY H . 11204 1 428 . 1 1 42 42 GLY HA2 H 1 4.285 0.030 . 2 . . . . 42 GLY HA2 . 11204 1 429 . 1 1 42 42 GLY HA3 H 1 3.716 0.030 . 2 . . . . 42 GLY HA3 . 11204 1 430 . 1 1 42 42 GLY C C 13 171.507 0.300 . 1 . . . . 42 GLY C . 11204 1 431 . 1 1 42 42 GLY CA C 13 43.915 0.300 . 1 . . . . 42 GLY CA . 11204 1 432 . 1 1 42 42 GLY N N 15 107.218 0.300 . 1 . . . . 42 GLY N . 11204 1 433 . 1 1 43 43 ILE H H 1 8.543 0.030 . 1 . . . . 43 ILE H . 11204 1 434 . 1 1 43 43 ILE HA H 1 4.741 0.030 . 1 . . . . 43 ILE HA . 11204 1 435 . 1 1 43 43 ILE HB H 1 2.300 0.030 . 1 . . . . 43 ILE HB . 11204 1 436 . 1 1 43 43 ILE HD11 H 1 0.639 0.030 . 1 . . . . 43 ILE HD1 . 11204 1 437 . 1 1 43 43 ILE HD12 H 1 0.639 0.030 . 1 . . . . 43 ILE HD1 . 11204 1 438 . 1 1 43 43 ILE HD13 H 1 0.639 0.030 . 1 . . . . 43 ILE HD1 . 11204 1 439 . 1 1 43 43 ILE HG12 H 1 1.787 0.030 . 2 . . . . 43 ILE HG12 . 11204 1 440 . 1 1 43 43 ILE HG13 H 1 1.162 0.030 . 2 . . . . 43 ILE HG13 . 11204 1 441 . 1 1 43 43 ILE HG21 H 1 0.890 0.030 . 1 . . . . 43 ILE HG2 . 11204 1 442 . 1 1 43 43 ILE HG22 H 1 0.890 0.030 . 1 . . . . 43 ILE HG2 . 11204 1 443 . 1 1 43 43 ILE HG23 H 1 0.890 0.030 . 1 . . . . 43 ILE HG2 . 11204 1 444 . 1 1 43 43 ILE C C 13 174.202 0.300 . 1 . . . . 43 ILE C . 11204 1 445 . 1 1 43 43 ILE CA C 13 57.571 0.300 . 1 . . . . 43 ILE CA . 11204 1 446 . 1 1 43 43 ILE CB C 13 36.565 0.300 . 1 . . . . 43 ILE CB . 11204 1 447 . 1 1 43 43 ILE CD1 C 13 9.019 0.300 . 1 . . . . 43 ILE CD1 . 11204 1 448 . 1 1 43 43 ILE CG1 C 13 25.691 0.300 . 1 . . . . 43 ILE CG1 . 11204 1 449 . 1 1 43 43 ILE CG2 C 13 19.128 0.300 . 1 . . . . 43 ILE CG2 . 11204 1 450 . 1 1 43 43 ILE N N 15 120.068 0.300 . 1 . . . . 43 ILE N . 11204 1 451 . 1 1 44 44 PHE H H 1 9.024 0.030 . 1 . . . . 44 PHE H . 11204 1 452 . 1 1 44 44 PHE HA H 1 5.412 0.030 . 1 . . . . 44 PHE HA . 11204 1 453 . 1 1 44 44 PHE HB2 H 1 2.813 0.030 . 2 . . . . 44 PHE HB2 . 11204 1 454 . 1 1 44 44 PHE HB3 H 1 2.721 0.030 . 2 . . . . 44 PHE HB3 . 11204 1 455 . 1 1 44 44 PHE HD1 H 1 6.999 0.030 . 1 . . . . 44 PHE HD1 . 11204 1 456 . 1 1 44 44 PHE HD2 H 1 6.999 0.030 . 1 . . . . 44 PHE HD2 . 11204 1 457 . 1 1 44 44 PHE HE1 H 1 7.071 0.030 . 1 . . . . 44 PHE HE1 . 11204 1 458 . 1 1 44 44 PHE HE2 H 1 7.071 0.030 . 1 . . . . 44 PHE HE2 . 11204 1 459 . 1 1 44 44 PHE HZ H 1 6.981 0.030 . 1 . . . . 44 PHE HZ . 11204 1 460 . 1 1 44 44 PHE C C 13 175.505 0.300 . 1 . . . . 44 PHE C . 11204 1 461 . 1 1 44 44 PHE CA C 13 55.537 0.300 . 1 . . . . 44 PHE CA . 11204 1 462 . 1 1 44 44 PHE CB C 13 43.737 0.300 . 1 . . . . 44 PHE CB . 11204 1 463 . 1 1 44 44 PHE CD1 C 13 131.398 0.300 . 1 . . . . 44 PHE CD1 . 11204 1 464 . 1 1 44 44 PHE CD2 C 13 131.398 0.300 . 1 . . . . 44 PHE CD2 . 11204 1 465 . 1 1 44 44 PHE CE1 C 13 130.668 0.300 . 1 . . . . 44 PHE CE1 . 11204 1 466 . 1 1 44 44 PHE CE2 C 13 130.668 0.300 . 1 . . . . 44 PHE CE2 . 11204 1 467 . 1 1 44 44 PHE CZ C 13 130.991 0.300 . 1 . . . . 44 PHE CZ . 11204 1 468 . 1 1 44 44 PHE N N 15 123.505 0.300 . 1 . . . . 44 PHE N . 11204 1 469 . 1 1 45 45 ILE H H 1 9.011 0.030 . 1 . . . . 45 ILE H . 11204 1 470 . 1 1 45 45 ILE HA H 1 4.323 0.030 . 1 . . . . 45 ILE HA . 11204 1 471 . 1 1 45 45 ILE HB H 1 2.093 0.030 . 1 . . . . 45 ILE HB . 11204 1 472 . 1 1 45 45 ILE HD11 H 1 0.805 0.030 . 1 . . . . 45 ILE HD1 . 11204 1 473 . 1 1 45 45 ILE HD12 H 1 0.805 0.030 . 1 . . . . 45 ILE HD1 . 11204 1 474 . 1 1 45 45 ILE HD13 H 1 0.805 0.030 . 1 . . . . 45 ILE HD1 . 11204 1 475 . 1 1 45 45 ILE HG12 H 1 1.600 0.030 . 2 . . . . 45 ILE HG12 . 11204 1 476 . 1 1 45 45 ILE HG13 H 1 1.069 0.030 . 2 . . . . 45 ILE HG13 . 11204 1 477 . 1 1 45 45 ILE HG21 H 1 0.640 0.030 . 1 . . . . 45 ILE HG2 . 11204 1 478 . 1 1 45 45 ILE HG22 H 1 0.640 0.030 . 1 . . . . 45 ILE HG2 . 11204 1 479 . 1 1 45 45 ILE HG23 H 1 0.640 0.030 . 1 . . . . 45 ILE HG2 . 11204 1 480 . 1 1 45 45 ILE C C 13 175.183 0.300 . 1 . . . . 45 ILE C . 11204 1 481 . 1 1 45 45 ILE CA C 13 61.578 0.300 . 1 . . . . 45 ILE CA . 11204 1 482 . 1 1 45 45 ILE CB C 13 36.796 0.300 . 1 . . . . 45 ILE CB . 11204 1 483 . 1 1 45 45 ILE CD1 C 13 13.957 0.300 . 1 . . . . 45 ILE CD1 . 11204 1 484 . 1 1 45 45 ILE CG1 C 13 27.964 0.300 . 1 . . . . 45 ILE CG1 . 11204 1 485 . 1 1 45 45 ILE CG2 C 13 18.649 0.300 . 1 . . . . 45 ILE CG2 . 11204 1 486 . 1 1 45 45 ILE N N 15 121.394 0.300 . 1 . . . . 45 ILE N . 11204 1 487 . 1 1 46 46 SER H H 1 8.957 0.030 . 1 . . . . 46 SER H . 11204 1 488 . 1 1 46 46 SER HA H 1 3.715 0.030 . 1 . . . . 46 SER HA . 11204 1 489 . 1 1 46 46 SER HB2 H 1 3.163 0.030 . 2 . . . . 46 SER HB2 . 11204 1 490 . 1 1 46 46 SER HB3 H 1 3.754 0.030 . 2 . . . . 46 SER HB3 . 11204 1 491 . 1 1 46 46 SER C C 13 174.145 0.300 . 1 . . . . 46 SER C . 11204 1 492 . 1 1 46 46 SER CA C 13 57.367 0.300 . 1 . . . . 46 SER CA . 11204 1 493 . 1 1 46 46 SER CB C 13 65.568 0.300 . 1 . . . . 46 SER CB . 11204 1 494 . 1 1 46 46 SER N N 15 123.206 0.300 . 1 . . . . 46 SER N . 11204 1 495 . 1 1 47 47 HIS H H 1 7.270 0.030 . 1 . . . . 47 HIS H . 11204 1 496 . 1 1 47 47 HIS HA H 1 4.180 0.030 . 1 . . . . 47 HIS HA . 11204 1 497 . 1 1 47 47 HIS HB2 H 1 3.236 0.030 . 2 . . . . 47 HIS HB2 . 11204 1 498 . 1 1 47 47 HIS HB3 H 1 2.600 0.030 . 2 . . . . 47 HIS HB3 . 11204 1 499 . 1 1 47 47 HIS HD2 H 1 6.923 0.030 . 1 . . . . 47 HIS HD2 . 11204 1 500 . 1 1 47 47 HIS HE1 H 1 7.632 0.030 . 1 . . . . 47 HIS HE1 . 11204 1 501 . 1 1 47 47 HIS C C 13 172.961 0.300 . 1 . . . . 47 HIS C . 11204 1 502 . 1 1 47 47 HIS CA C 13 59.035 0.300 . 1 . . . . 47 HIS CA . 11204 1 503 . 1 1 47 47 HIS CB C 13 33.168 0.300 . 1 . . . . 47 HIS CB . 11204 1 504 . 1 1 47 47 HIS CD2 C 13 119.919 0.300 . 1 . . . . 47 HIS CD2 . 11204 1 505 . 1 1 47 47 HIS CE1 C 13 138.102 0.300 . 1 . . . . 47 HIS CE1 . 11204 1 506 . 1 1 47 47 HIS N N 15 120.120 0.300 . 1 . . . . 47 HIS N . 11204 1 507 . 1 1 48 48 VAL H H 1 7.071 0.030 . 1 . . . . 48 VAL H . 11204 1 508 . 1 1 48 48 VAL HA H 1 4.145 0.030 . 1 . . . . 48 VAL HA . 11204 1 509 . 1 1 48 48 VAL HB H 1 1.588 0.030 . 1 . . . . 48 VAL HB . 11204 1 510 . 1 1 48 48 VAL HG11 H 1 0.590 0.030 . 1 . . . . 48 VAL HG1 . 11204 1 511 . 1 1 48 48 VAL HG12 H 1 0.590 0.030 . 1 . . . . 48 VAL HG1 . 11204 1 512 . 1 1 48 48 VAL HG13 H 1 0.590 0.030 . 1 . . . . 48 VAL HG1 . 11204 1 513 . 1 1 48 48 VAL HG21 H 1 0.511 0.030 . 1 . . . . 48 VAL HG2 . 11204 1 514 . 1 1 48 48 VAL HG22 H 1 0.511 0.030 . 1 . . . . 48 VAL HG2 . 11204 1 515 . 1 1 48 48 VAL HG23 H 1 0.511 0.030 . 1 . . . . 48 VAL HG2 . 11204 1 516 . 1 1 48 48 VAL C C 13 174.781 0.300 . 1 . . . . 48 VAL C . 11204 1 517 . 1 1 48 48 VAL CA C 13 61.720 0.300 . 1 . . . . 48 VAL CA . 11204 1 518 . 1 1 48 48 VAL CB C 13 35.016 0.300 . 1 . . . . 48 VAL CB . 11204 1 519 . 1 1 48 48 VAL CG1 C 13 20.483 0.300 . 2 . . . . 48 VAL CG1 . 11204 1 520 . 1 1 48 48 VAL CG2 C 13 21.375 0.300 . 2 . . . . 48 VAL CG2 . 11204 1 521 . 1 1 48 48 VAL N N 15 124.747 0.300 . 1 . . . . 48 VAL N . 11204 1 522 . 1 1 49 49 LYS H H 1 8.701 0.030 . 1 . . . . 49 LYS H . 11204 1 523 . 1 1 49 49 LYS HA H 1 4.432 0.030 . 1 . . . . 49 LYS HA . 11204 1 524 . 1 1 49 49 LYS HB2 H 1 1.811 0.030 . 1 . . . . 49 LYS HB2 . 11204 1 525 . 1 1 49 49 LYS HB3 H 1 1.811 0.030 . 1 . . . . 49 LYS HB3 . 11204 1 526 . 1 1 49 49 LYS HD2 H 1 1.741 0.030 . 1 . . . . 49 LYS HD2 . 11204 1 527 . 1 1 49 49 LYS HD3 H 1 1.741 0.030 . 1 . . . . 49 LYS HD3 . 11204 1 528 . 1 1 49 49 LYS HE2 H 1 3.035 0.030 . 1 . . . . 49 LYS HE2 . 11204 1 529 . 1 1 49 49 LYS HE3 H 1 3.035 0.030 . 1 . . . . 49 LYS HE3 . 11204 1 530 . 1 1 49 49 LYS HG2 H 1 1.621 0.030 . 2 . . . . 49 LYS HG2 . 11204 1 531 . 1 1 49 49 LYS HG3 H 1 1.570 0.030 . 2 . . . . 49 LYS HG3 . 11204 1 532 . 1 1 49 49 LYS C C 13 174.786 0.300 . 1 . . . . 49 LYS C . 11204 1 533 . 1 1 49 49 LYS CA C 13 54.581 0.300 . 1 . . . . 49 LYS CA . 11204 1 534 . 1 1 49 49 LYS CB C 13 33.003 0.300 . 1 . . . . 49 LYS CB . 11204 1 535 . 1 1 49 49 LYS CD C 13 29.774 0.300 . 1 . . . . 49 LYS CD . 11204 1 536 . 1 1 49 49 LYS CE C 13 42.143 0.300 . 1 . . . . 49 LYS CE . 11204 1 537 . 1 1 49 49 LYS CG C 13 25.075 0.300 . 1 . . . . 49 LYS CG . 11204 1 538 . 1 1 49 49 LYS N N 15 128.734 0.300 . 1 . . . . 49 LYS N . 11204 1 539 . 1 1 50 50 PRO HA H 1 4.328 0.030 . 1 . . . . 50 PRO HA . 11204 1 540 . 1 1 50 50 PRO HB2 H 1 2.319 0.030 . 2 . . . . 50 PRO HB2 . 11204 1 541 . 1 1 50 50 PRO HB3 H 1 1.897 0.030 . 2 . . . . 50 PRO HB3 . 11204 1 542 . 1 1 50 50 PRO HD2 H 1 3.749 0.030 . 2 . . . . 50 PRO HD2 . 11204 1 543 . 1 1 50 50 PRO HD3 H 1 4.123 0.030 . 2 . . . . 50 PRO HD3 . 11204 1 544 . 1 1 50 50 PRO HG2 H 1 2.168 0.030 . 2 . . . . 50 PRO HG2 . 11204 1 545 . 1 1 50 50 PRO HG3 H 1 2.041 0.030 . 2 . . . . 50 PRO HG3 . 11204 1 546 . 1 1 50 50 PRO C C 13 178.106 0.300 . 1 . . . . 50 PRO C . 11204 1 547 . 1 1 50 50 PRO CA C 13 63.856 0.300 . 1 . . . . 50 PRO CA . 11204 1 548 . 1 1 50 50 PRO CB C 13 31.600 0.300 . 1 . . . . 50 PRO CB . 11204 1 549 . 1 1 50 50 PRO CD C 13 51.302 0.300 . 1 . . . . 50 PRO CD . 11204 1 550 . 1 1 50 50 PRO CG C 13 27.822 0.300 . 1 . . . . 50 PRO CG . 11204 1 551 . 1 1 51 51 GLY H H 1 9.034 0.030 . 1 . . . . 51 GLY H . 11204 1 552 . 1 1 51 51 GLY HA2 H 1 4.081 0.030 . 2 . . . . 51 GLY HA2 . 11204 1 553 . 1 1 51 51 GLY HA3 H 1 3.824 0.030 . 2 . . . . 51 GLY HA3 . 11204 1 554 . 1 1 51 51 GLY C C 13 173.723 0.300 . 1 . . . . 51 GLY C . 11204 1 555 . 1 1 51 51 GLY CA C 13 45.742 0.300 . 1 . . . . 51 GLY CA . 11204 1 556 . 1 1 51 51 GLY N N 15 111.820 0.300 . 1 . . . . 51 GLY N . 11204 1 557 . 1 1 52 52 SER H H 1 7.538 0.030 . 1 . . . . 52 SER H . 11204 1 558 . 1 1 52 52 SER HA H 1 4.524 0.030 . 1 . . . . 52 SER HA . 11204 1 559 . 1 1 52 52 SER HB2 H 1 4.489 0.030 . 2 . . . . 52 SER HB2 . 11204 1 560 . 1 1 52 52 SER HB3 H 1 3.899 0.030 . 2 . . . . 52 SER HB3 . 11204 1 561 . 1 1 52 52 SER C C 13 175.190 0.300 . 1 . . . . 52 SER C . 11204 1 562 . 1 1 52 52 SER CA C 13 57.561 0.300 . 1 . . . . 52 SER CA . 11204 1 563 . 1 1 52 52 SER CB C 13 67.307 0.300 . 1 . . . . 52 SER CB . 11204 1 564 . 1 1 52 52 SER N N 15 113.696 0.300 . 1 . . . . 52 SER N . 11204 1 565 . 1 1 53 53 LEU H H 1 8.884 0.030 . 1 . . . . 53 LEU H . 11204 1 566 . 1 1 53 53 LEU HA H 1 4.165 0.030 . 1 . . . . 53 LEU HA . 11204 1 567 . 1 1 53 53 LEU HB2 H 1 1.762 0.030 . 2 . . . . 53 LEU HB2 . 11204 1 568 . 1 1 53 53 LEU HB3 H 1 1.578 0.030 . 2 . . . . 53 LEU HB3 . 11204 1 569 . 1 1 53 53 LEU HD11 H 1 0.949 0.030 . 1 . . . . 53 LEU HD1 . 11204 1 570 . 1 1 53 53 LEU HD12 H 1 0.949 0.030 . 1 . . . . 53 LEU HD1 . 11204 1 571 . 1 1 53 53 LEU HD13 H 1 0.949 0.030 . 1 . . . . 53 LEU HD1 . 11204 1 572 . 1 1 53 53 LEU HD21 H 1 0.957 0.030 . 1 . . . . 53 LEU HD2 . 11204 1 573 . 1 1 53 53 LEU HD22 H 1 0.957 0.030 . 1 . . . . 53 LEU HD2 . 11204 1 574 . 1 1 53 53 LEU HD23 H 1 0.957 0.030 . 1 . . . . 53 LEU HD2 . 11204 1 575 . 1 1 53 53 LEU HG H 1 1.664 0.030 . 1 . . . . 53 LEU HG . 11204 1 576 . 1 1 53 53 LEU C C 13 179.274 0.300 . 1 . . . . 53 LEU C . 11204 1 577 . 1 1 53 53 LEU CA C 13 57.979 0.300 . 1 . . . . 53 LEU CA . 11204 1 578 . 1 1 53 53 LEU CB C 13 42.160 0.300 . 1 . . . . 53 LEU CB . 11204 1 579 . 1 1 53 53 LEU CD1 C 13 25.787 0.300 . 2 . . . . 53 LEU CD1 . 11204 1 580 . 1 1 53 53 LEU CD2 C 13 24.100 0.300 . 2 . . . . 53 LEU CD2 . 11204 1 581 . 1 1 53 53 LEU CG C 13 27.571 0.300 . 1 . . . . 53 LEU CG . 11204 1 582 . 1 1 53 53 LEU N N 15 121.077 0.300 . 1 . . . . 53 LEU N . 11204 1 583 . 1 1 54 54 SER H H 1 7.919 0.030 . 1 . . . . 54 SER H . 11204 1 584 . 1 1 54 54 SER HA H 1 3.907 0.030 . 1 . . . . 54 SER HA . 11204 1 585 . 1 1 54 54 SER HB2 H 1 3.750 0.030 . 2 . . . . 54 SER HB2 . 11204 1 586 . 1 1 54 54 SER HB3 H 1 3.522 0.030 . 2 . . . . 54 SER HB3 . 11204 1 587 . 1 1 54 54 SER C C 13 174.855 0.300 . 1 . . . . 54 SER C . 11204 1 588 . 1 1 54 54 SER CA C 13 63.261 0.300 . 1 . . . . 54 SER CA . 11204 1 589 . 1 1 54 54 SER CB C 13 63.352 0.300 . 1 . . . . 54 SER CB . 11204 1 590 . 1 1 54 54 SER N N 15 111.774 0.300 . 1 . . . . 54 SER N . 11204 1 591 . 1 1 55 55 ALA H H 1 7.395 0.030 . 1 . . . . 55 ALA H . 11204 1 592 . 1 1 55 55 ALA HA H 1 4.075 0.030 . 1 . . . . 55 ALA HA . 11204 1 593 . 1 1 55 55 ALA HB1 H 1 1.476 0.030 . 1 . . . . 55 ALA HB . 11204 1 594 . 1 1 55 55 ALA HB2 H 1 1.476 0.030 . 1 . . . . 55 ALA HB . 11204 1 595 . 1 1 55 55 ALA HB3 H 1 1.476 0.030 . 1 . . . . 55 ALA HB . 11204 1 596 . 1 1 55 55 ALA C C 13 181.594 0.300 . 1 . . . . 55 ALA C . 11204 1 597 . 1 1 55 55 ALA CA C 13 54.651 0.300 . 1 . . . . 55 ALA CA . 11204 1 598 . 1 1 55 55 ALA CB C 13 18.096 0.300 . 1 . . . . 55 ALA CB . 11204 1 599 . 1 1 55 55 ALA N N 15 124.600 0.300 . 1 . . . . 55 ALA N . 11204 1 600 . 1 1 56 56 GLU H H 1 8.207 0.030 . 1 . . . . 56 GLU H . 11204 1 601 . 1 1 56 56 GLU HA H 1 4.004 0.030 . 1 . . . . 56 GLU HA . 11204 1 602 . 1 1 56 56 GLU HB2 H 1 2.260 0.030 . 2 . . . . 56 GLU HB2 . 11204 1 603 . 1 1 56 56 GLU HB3 H 1 2.202 0.030 . 2 . . . . 56 GLU HB3 . 11204 1 604 . 1 1 56 56 GLU HG2 H 1 2.400 0.030 . 2 . . . . 56 GLU HG2 . 11204 1 605 . 1 1 56 56 GLU HG3 H 1 2.231 0.030 . 2 . . . . 56 GLU HG3 . 11204 1 606 . 1 1 56 56 GLU C C 13 178.898 0.300 . 1 . . . . 56 GLU C . 11204 1 607 . 1 1 56 56 GLU CA C 13 59.495 0.300 . 1 . . . . 56 GLU CA . 11204 1 608 . 1 1 56 56 GLU CB C 13 29.982 0.300 . 1 . . . . 56 GLU CB . 11204 1 609 . 1 1 56 56 GLU CG C 13 36.540 0.300 . 1 . . . . 56 GLU CG . 11204 1 610 . 1 1 56 56 GLU N N 15 120.184 0.300 . 1 . . . . 56 GLU N . 11204 1 611 . 1 1 57 57 VAL H H 1 7.521 0.030 . 1 . . . . 57 VAL H . 11204 1 612 . 1 1 57 57 VAL HA H 1 4.477 0.030 . 1 . . . . 57 VAL HA . 11204 1 613 . 1 1 57 57 VAL HB H 1 2.486 0.030 . 1 . . . . 57 VAL HB . 11204 1 614 . 1 1 57 57 VAL HG11 H 1 1.052 0.030 . 1 . . . . 57 VAL HG1 . 11204 1 615 . 1 1 57 57 VAL HG12 H 1 1.052 0.030 . 1 . . . . 57 VAL HG1 . 11204 1 616 . 1 1 57 57 VAL HG13 H 1 1.052 0.030 . 1 . . . . 57 VAL HG1 . 11204 1 617 . 1 1 57 57 VAL HG21 H 1 0.974 0.030 . 1 . . . . 57 VAL HG2 . 11204 1 618 . 1 1 57 57 VAL HG22 H 1 0.974 0.030 . 1 . . . . 57 VAL HG2 . 11204 1 619 . 1 1 57 57 VAL HG23 H 1 0.974 0.030 . 1 . . . . 57 VAL HG2 . 11204 1 620 . 1 1 57 57 VAL C C 13 176.309 0.300 . 1 . . . . 57 VAL C . 11204 1 621 . 1 1 57 57 VAL CA C 13 61.446 0.300 . 1 . . . . 57 VAL CA . 11204 1 622 . 1 1 57 57 VAL CB C 13 31.314 0.300 . 1 . . . . 57 VAL CB . 11204 1 623 . 1 1 57 57 VAL CG1 C 13 21.057 0.300 . 2 . . . . 57 VAL CG1 . 11204 1 624 . 1 1 57 57 VAL CG2 C 13 19.703 0.300 . 2 . . . . 57 VAL CG2 . 11204 1 625 . 1 1 57 57 VAL N N 15 108.766 0.300 . 1 . . . . 57 VAL N . 11204 1 626 . 1 1 58 58 GLY H H 1 7.620 0.030 . 1 . . . . 58 GLY H . 11204 1 627 . 1 1 58 58 GLY HA2 H 1 4.112 0.030 . 2 . . . . 58 GLY HA2 . 11204 1 628 . 1 1 58 58 GLY HA3 H 1 3.752 0.030 . 2 . . . . 58 GLY HA3 . 11204 1 629 . 1 1 58 58 GLY C C 13 175.539 0.300 . 1 . . . . 58 GLY C . 11204 1 630 . 1 1 58 58 GLY CA C 13 46.013 0.300 . 1 . . . . 58 GLY CA . 11204 1 631 . 1 1 58 58 GLY N N 15 107.956 0.300 . 1 . . . . 58 GLY N . 11204 1 632 . 1 1 59 59 LEU H H 1 7.749 0.030 . 1 . . . . 59 LEU H . 11204 1 633 . 1 1 59 59 LEU HA H 1 4.211 0.030 . 1 . . . . 59 LEU HA . 11204 1 634 . 1 1 59 59 LEU HB2 H 1 1.527 0.030 . 2 . . . . 59 LEU HB2 . 11204 1 635 . 1 1 59 59 LEU HB3 H 1 1.120 0.030 . 2 . . . . 59 LEU HB3 . 11204 1 636 . 1 1 59 59 LEU HD11 H 1 0.682 0.030 . 1 . . . . 59 LEU HD1 . 11204 1 637 . 1 1 59 59 LEU HD12 H 1 0.682 0.030 . 1 . . . . 59 LEU HD1 . 11204 1 638 . 1 1 59 59 LEU HD13 H 1 0.682 0.030 . 1 . . . . 59 LEU HD1 . 11204 1 639 . 1 1 59 59 LEU HD21 H 1 0.755 0.030 . 1 . . . . 59 LEU HD2 . 11204 1 640 . 1 1 59 59 LEU HD22 H 1 0.755 0.030 . 1 . . . . 59 LEU HD2 . 11204 1 641 . 1 1 59 59 LEU HD23 H 1 0.755 0.030 . 1 . . . . 59 LEU HD2 . 11204 1 642 . 1 1 59 59 LEU HG H 1 1.656 0.030 . 1 . . . . 59 LEU HG . 11204 1 643 . 1 1 59 59 LEU C C 13 175.120 0.300 . 1 . . . . 59 LEU C . 11204 1 644 . 1 1 59 59 LEU CA C 13 55.757 0.300 . 1 . . . . 59 LEU CA . 11204 1 645 . 1 1 59 59 LEU CB C 13 41.084 0.300 . 1 . . . . 59 LEU CB . 11204 1 646 . 1 1 59 59 LEU CD1 C 13 24.492 0.300 . 2 . . . . 59 LEU CD1 . 11204 1 647 . 1 1 59 59 LEU CD2 C 13 23.208 0.300 . 2 . . . . 59 LEU CD2 . 11204 1 648 . 1 1 59 59 LEU CG C 13 26.690 0.300 . 1 . . . . 59 LEU CG . 11204 1 649 . 1 1 59 59 LEU N N 15 120.243 0.300 . 1 . . . . 59 LEU N . 11204 1 650 . 1 1 60 60 GLU H H 1 8.518 0.030 . 1 . . . . 60 GLU H . 11204 1 651 . 1 1 60 60 GLU HA H 1 4.516 0.030 . 1 . . . . 60 GLU HA . 11204 1 652 . 1 1 60 60 GLU HB2 H 1 1.901 0.030 . 2 . . . . 60 GLU HB2 . 11204 1 653 . 1 1 60 60 GLU HB3 H 1 1.784 0.030 . 2 . . . . 60 GLU HB3 . 11204 1 654 . 1 1 60 60 GLU HG2 H 1 2.290 0.030 . 2 . . . . 60 GLU HG2 . 11204 1 655 . 1 1 60 60 GLU HG3 H 1 2.097 0.030 . 2 . . . . 60 GLU HG3 . 11204 1 656 . 1 1 60 60 GLU C C 13 175.399 0.300 . 1 . . . . 60 GLU C . 11204 1 657 . 1 1 60 60 GLU CA C 13 54.434 0.300 . 1 . . . . 60 GLU CA . 11204 1 658 . 1 1 60 60 GLU CB C 13 34.517 0.300 . 1 . . . . 60 GLU CB . 11204 1 659 . 1 1 60 60 GLU CG C 13 36.578 0.300 . 1 . . . . 60 GLU CG . 11204 1 660 . 1 1 60 60 GLU N N 15 119.738 0.300 . 1 . . . . 60 GLU N . 11204 1 661 . 1 1 61 61 ILE H H 1 8.368 0.030 . 1 . . . . 61 ILE H . 11204 1 662 . 1 1 61 61 ILE HA H 1 3.274 0.030 . 1 . . . . 61 ILE HA . 11204 1 663 . 1 1 61 61 ILE HB H 1 1.522 0.030 . 1 . . . . 61 ILE HB . 11204 1 664 . 1 1 61 61 ILE HD11 H 1 0.934 0.030 . 1 . . . . 61 ILE HD1 . 11204 1 665 . 1 1 61 61 ILE HD12 H 1 0.934 0.030 . 1 . . . . 61 ILE HD1 . 11204 1 666 . 1 1 61 61 ILE HD13 H 1 0.934 0.030 . 1 . . . . 61 ILE HD1 . 11204 1 667 . 1 1 61 61 ILE HG12 H 1 1.508 0.030 . 2 . . . . 61 ILE HG12 . 11204 1 668 . 1 1 61 61 ILE HG13 H 1 0.485 0.030 . 2 . . . . 61 ILE HG13 . 11204 1 669 . 1 1 61 61 ILE HG21 H 1 0.642 0.030 . 1 . . . . 61 ILE HG2 . 11204 1 670 . 1 1 61 61 ILE HG22 H 1 0.642 0.030 . 1 . . . . 61 ILE HG2 . 11204 1 671 . 1 1 61 61 ILE HG23 H 1 0.642 0.030 . 1 . . . . 61 ILE HG2 . 11204 1 672 . 1 1 61 61 ILE C C 13 177.966 0.300 . 1 . . . . 61 ILE C . 11204 1 673 . 1 1 61 61 ILE CA C 13 63.627 0.300 . 1 . . . . 61 ILE CA . 11204 1 674 . 1 1 61 61 ILE CB C 13 38.010 0.300 . 1 . . . . 61 ILE CB . 11204 1 675 . 1 1 61 61 ILE CD1 C 13 14.418 0.300 . 1 . . . . 61 ILE CD1 . 11204 1 676 . 1 1 61 61 ILE CG1 C 13 28.576 0.300 . 1 . . . . 61 ILE CG1 . 11204 1 677 . 1 1 61 61 ILE CG2 C 13 17.413 0.300 . 1 . . . . 61 ILE CG2 . 11204 1 678 . 1 1 61 61 ILE N N 15 120.119 0.300 . 1 . . . . 61 ILE N . 11204 1 679 . 1 1 62 62 GLY H H 1 9.594 0.030 . 1 . . . . 62 GLY H . 11204 1 680 . 1 1 62 62 GLY HA2 H 1 4.282 0.030 . 2 . . . . 62 GLY HA2 . 11204 1 681 . 1 1 62 62 GLY HA3 H 1 3.359 0.030 . 2 . . . . 62 GLY HA3 . 11204 1 682 . 1 1 62 62 GLY C C 13 173.695 0.300 . 1 . . . . 62 GLY C . 11204 1 683 . 1 1 62 62 GLY CA C 13 44.509 0.300 . 1 . . . . 62 GLY CA . 11204 1 684 . 1 1 62 62 GLY N N 15 115.902 0.300 . 1 . . . . 62 GLY N . 11204 1 685 . 1 1 63 63 ASP H H 1 8.300 0.030 . 1 . . . . 63 ASP H . 11204 1 686 . 1 1 63 63 ASP HA H 1 4.830 0.030 . 1 . . . . 63 ASP HA . 11204 1 687 . 1 1 63 63 ASP HB2 H 1 2.894 0.030 . 2 . . . . 63 ASP HB2 . 11204 1 688 . 1 1 63 63 ASP HB3 H 1 2.346 0.030 . 2 . . . . 63 ASP HB3 . 11204 1 689 . 1 1 63 63 ASP C C 13 174.913 0.300 . 1 . . . . 63 ASP C . 11204 1 690 . 1 1 63 63 ASP CA C 13 56.217 0.300 . 1 . . . . 63 ASP CA . 11204 1 691 . 1 1 63 63 ASP CB C 13 41.183 0.300 . 1 . . . . 63 ASP CB . 11204 1 692 . 1 1 63 63 ASP N N 15 123.621 0.300 . 1 . . . . 63 ASP N . 11204 1 693 . 1 1 64 64 GLN H H 1 8.641 0.030 . 1 . . . . 64 GLN H . 11204 1 694 . 1 1 64 64 GLN HA H 1 4.682 0.030 . 1 . . . . 64 GLN HA . 11204 1 695 . 1 1 64 64 GLN HB2 H 1 2.001 0.030 . 2 . . . . 64 GLN HB2 . 11204 1 696 . 1 1 64 64 GLN HB3 H 1 1.927 0.030 . 2 . . . . 64 GLN HB3 . 11204 1 697 . 1 1 64 64 GLN HE21 H 1 7.351 0.030 . 2 . . . . 64 GLN HE21 . 11204 1 698 . 1 1 64 64 GLN HE22 H 1 6.459 0.030 . 2 . . . . 64 GLN HE22 . 11204 1 699 . 1 1 64 64 GLN HG2 H 1 1.636 0.030 . 2 . . . . 64 GLN HG2 . 11204 1 700 . 1 1 64 64 GLN HG3 H 1 1.378 0.030 . 2 . . . . 64 GLN HG3 . 11204 1 701 . 1 1 64 64 GLN C C 13 176.215 0.300 . 1 . . . . 64 GLN C . 11204 1 702 . 1 1 64 64 GLN CA C 13 53.980 0.300 . 1 . . . . 64 GLN CA . 11204 1 703 . 1 1 64 64 GLN CB C 13 31.313 0.300 . 1 . . . . 64 GLN CB . 11204 1 704 . 1 1 64 64 GLN CG C 13 32.377 0.300 . 1 . . . . 64 GLN CG . 11204 1 705 . 1 1 64 64 GLN N N 15 123.139 0.300 . 1 . . . . 64 GLN N . 11204 1 706 . 1 1 64 64 GLN NE2 N 15 107.468 0.300 . 1 . . . . 64 GLN NE2 . 11204 1 707 . 1 1 65 65 ILE H H 1 8.598 0.030 . 1 . . . . 65 ILE H . 11204 1 708 . 1 1 65 65 ILE HA H 1 4.148 0.030 . 1 . . . . 65 ILE HA . 11204 1 709 . 1 1 65 65 ILE HB H 1 1.502 0.030 . 1 . . . . 65 ILE HB . 11204 1 710 . 1 1 65 65 ILE HD11 H 1 0.615 0.030 . 1 . . . . 65 ILE HD1 . 11204 1 711 . 1 1 65 65 ILE HD12 H 1 0.615 0.030 . 1 . . . . 65 ILE HD1 . 11204 1 712 . 1 1 65 65 ILE HD13 H 1 0.615 0.030 . 1 . . . . 65 ILE HD1 . 11204 1 713 . 1 1 65 65 ILE HG12 H 1 1.452 0.030 . 2 . . . . 65 ILE HG12 . 11204 1 714 . 1 1 65 65 ILE HG13 H 1 0.589 0.030 . 2 . . . . 65 ILE HG13 . 11204 1 715 . 1 1 65 65 ILE HG21 H 1 0.197 0.030 . 1 . . . . 65 ILE HG2 . 11204 1 716 . 1 1 65 65 ILE HG22 H 1 0.197 0.030 . 1 . . . . 65 ILE HG2 . 11204 1 717 . 1 1 65 65 ILE HG23 H 1 0.197 0.030 . 1 . . . . 65 ILE HG2 . 11204 1 718 . 1 1 65 65 ILE C C 13 175.298 0.300 . 1 . . . . 65 ILE C . 11204 1 719 . 1 1 65 65 ILE CA C 13 61.477 0.300 . 1 . . . . 65 ILE CA . 11204 1 720 . 1 1 65 65 ILE CB C 13 38.389 0.300 . 1 . . . . 65 ILE CB . 11204 1 721 . 1 1 65 65 ILE CD1 C 13 13.172 0.300 . 1 . . . . 65 ILE CD1 . 11204 1 722 . 1 1 65 65 ILE CG1 C 13 26.746 0.300 . 1 . . . . 65 ILE CG1 . 11204 1 723 . 1 1 65 65 ILE CG2 C 13 19.609 0.300 . 1 . . . . 65 ILE CG2 . 11204 1 724 . 1 1 65 65 ILE N N 15 126.205 0.300 . 1 . . . . 65 ILE N . 11204 1 725 . 1 1 66 66 VAL H H 1 8.621 0.030 . 1 . . . . 66 VAL H . 11204 1 726 . 1 1 66 66 VAL HA H 1 4.360 0.030 . 1 . . . . 66 VAL HA . 11204 1 727 . 1 1 66 66 VAL HB H 1 2.150 0.030 . 1 . . . . 66 VAL HB . 11204 1 728 . 1 1 66 66 VAL HG11 H 1 0.781 0.030 . 1 . . . . 66 VAL HG1 . 11204 1 729 . 1 1 66 66 VAL HG12 H 1 0.781 0.030 . 1 . . . . 66 VAL HG1 . 11204 1 730 . 1 1 66 66 VAL HG13 H 1 0.781 0.030 . 1 . . . . 66 VAL HG1 . 11204 1 731 . 1 1 66 66 VAL HG21 H 1 0.643 0.030 . 1 . . . . 66 VAL HG2 . 11204 1 732 . 1 1 66 66 VAL HG22 H 1 0.643 0.030 . 1 . . . . 66 VAL HG2 . 11204 1 733 . 1 1 66 66 VAL HG23 H 1 0.643 0.030 . 1 . . . . 66 VAL HG2 . 11204 1 734 . 1 1 66 66 VAL C C 13 176.794 0.300 . 1 . . . . 66 VAL C . 11204 1 735 . 1 1 66 66 VAL CA C 13 62.566 0.300 . 1 . . . . 66 VAL CA . 11204 1 736 . 1 1 66 66 VAL CB C 13 32.698 0.300 . 1 . . . . 66 VAL CB . 11204 1 737 . 1 1 66 66 VAL CG1 C 13 22.047 0.300 . 2 . . . . 66 VAL CG1 . 11204 1 738 . 1 1 66 66 VAL CG2 C 13 19.441 0.300 . 2 . . . . 66 VAL CG2 . 11204 1 739 . 1 1 66 66 VAL N N 15 120.839 0.300 . 1 . . . . 66 VAL N . 11204 1 740 . 1 1 67 67 GLU H H 1 7.400 0.030 . 1 . . . . 67 GLU H . 11204 1 741 . 1 1 67 67 GLU HA H 1 5.043 0.030 . 1 . . . . 67 GLU HA . 11204 1 742 . 1 1 67 67 GLU HB2 H 1 2.107 0.030 . 2 . . . . 67 GLU HB2 . 11204 1 743 . 1 1 67 67 GLU HB3 H 1 1.728 0.030 . 2 . . . . 67 GLU HB3 . 11204 1 744 . 1 1 67 67 GLU HG2 H 1 1.958 0.030 . 2 . . . . 67 GLU HG2 . 11204 1 745 . 1 1 67 67 GLU HG3 H 1 1.819 0.030 . 2 . . . . 67 GLU HG3 . 11204 1 746 . 1 1 67 67 GLU C C 13 174.039 0.300 . 1 . . . . 67 GLU C . 11204 1 747 . 1 1 67 67 GLU CA C 13 56.261 0.300 . 1 . . . . 67 GLU CA . 11204 1 748 . 1 1 67 67 GLU CB C 13 33.788 0.300 . 1 . . . . 67 GLU CB . 11204 1 749 . 1 1 67 67 GLU CG C 13 36.791 0.300 . 1 . . . . 67 GLU CG . 11204 1 750 . 1 1 67 67 GLU N N 15 123.050 0.300 . 1 . . . . 67 GLU N . 11204 1 751 . 1 1 68 68 VAL H H 1 7.966 0.030 . 1 . . . . 68 VAL H . 11204 1 752 . 1 1 68 68 VAL HA H 1 4.678 0.030 . 1 . . . . 68 VAL HA . 11204 1 753 . 1 1 68 68 VAL HB H 1 1.662 0.030 . 1 . . . . 68 VAL HB . 11204 1 754 . 1 1 68 68 VAL HG11 H 1 0.088 0.030 . 1 . . . . 68 VAL HG1 . 11204 1 755 . 1 1 68 68 VAL HG12 H 1 0.088 0.030 . 1 . . . . 68 VAL HG1 . 11204 1 756 . 1 1 68 68 VAL HG13 H 1 0.088 0.030 . 1 . . . . 68 VAL HG1 . 11204 1 757 . 1 1 68 68 VAL HG21 H 1 0.603 0.030 . 1 . . . . 68 VAL HG2 . 11204 1 758 . 1 1 68 68 VAL HG22 H 1 0.603 0.030 . 1 . . . . 68 VAL HG2 . 11204 1 759 . 1 1 68 68 VAL HG23 H 1 0.603 0.030 . 1 . . . . 68 VAL HG2 . 11204 1 760 . 1 1 68 68 VAL C C 13 175.429 0.300 . 1 . . . . 68 VAL C . 11204 1 761 . 1 1 68 68 VAL CA C 13 61.084 0.300 . 1 . . . . 68 VAL CA . 11204 1 762 . 1 1 68 68 VAL CB C 13 34.956 0.300 . 1 . . . . 68 VAL CB . 11204 1 763 . 1 1 68 68 VAL CG1 C 13 23.272 0.300 . 2 . . . . 68 VAL CG1 . 11204 1 764 . 1 1 68 68 VAL CG2 C 13 21.778 0.300 . 2 . . . . 68 VAL CG2 . 11204 1 765 . 1 1 68 68 VAL N N 15 123.016 0.300 . 1 . . . . 68 VAL N . 11204 1 766 . 1 1 69 69 ASN H H 1 9.041 0.030 . 1 . . . . 69 ASN H . 11204 1 767 . 1 1 69 69 ASN HA H 1 4.475 0.030 . 1 . . . . 69 ASN HA . 11204 1 768 . 1 1 69 69 ASN HB2 H 1 3.210 0.030 . 2 . . . . 69 ASN HB2 . 11204 1 769 . 1 1 69 69 ASN HB3 H 1 2.866 0.030 . 2 . . . . 69 ASN HB3 . 11204 1 770 . 1 1 69 69 ASN HD21 H 1 7.954 0.030 . 2 . . . . 69 ASN HD21 . 11204 1 771 . 1 1 69 69 ASN HD22 H 1 7.381 0.030 . 2 . . . . 69 ASN HD22 . 11204 1 772 . 1 1 69 69 ASN C C 13 175.162 0.300 . 1 . . . . 69 ASN C . 11204 1 773 . 1 1 69 69 ASN CA C 13 54.064 0.300 . 1 . . . . 69 ASN CA . 11204 1 774 . 1 1 69 69 ASN CB C 13 35.987 0.300 . 1 . . . . 69 ASN CB . 11204 1 775 . 1 1 69 69 ASN N N 15 125.113 0.300 . 1 . . . . 69 ASN N . 11204 1 776 . 1 1 69 69 ASN ND2 N 15 109.745 0.300 . 1 . . . . 69 ASN ND2 . 11204 1 777 . 1 1 70 70 GLY H H 1 8.576 0.030 . 1 . . . . 70 GLY H . 11204 1 778 . 1 1 70 70 GLY HA2 H 1 4.103 0.030 . 2 . . . . 70 GLY HA2 . 11204 1 779 . 1 1 70 70 GLY HA3 H 1 3.635 0.030 . 2 . . . . 70 GLY HA3 . 11204 1 780 . 1 1 70 70 GLY C C 13 173.871 0.300 . 1 . . . . 70 GLY C . 11204 1 781 . 1 1 70 70 GLY CA C 13 45.528 0.300 . 1 . . . . 70 GLY CA . 11204 1 782 . 1 1 70 70 GLY N N 15 103.277 0.300 . 1 . . . . 70 GLY N . 11204 1 783 . 1 1 71 71 VAL H H 1 8.371 0.030 . 1 . . . . 71 VAL H . 11204 1 784 . 1 1 71 71 VAL HA H 1 4.066 0.030 . 1 . . . . 71 VAL HA . 11204 1 785 . 1 1 71 71 VAL HB H 1 2.567 0.030 . 1 . . . . 71 VAL HB . 11204 1 786 . 1 1 71 71 VAL HG11 H 1 1.029 0.030 . 1 . . . . 71 VAL HG1 . 11204 1 787 . 1 1 71 71 VAL HG12 H 1 1.029 0.030 . 1 . . . . 71 VAL HG1 . 11204 1 788 . 1 1 71 71 VAL HG13 H 1 1.029 0.030 . 1 . . . . 71 VAL HG1 . 11204 1 789 . 1 1 71 71 VAL HG21 H 1 1.021 0.030 . 1 . . . . 71 VAL HG2 . 11204 1 790 . 1 1 71 71 VAL HG22 H 1 1.021 0.030 . 1 . . . . 71 VAL HG2 . 11204 1 791 . 1 1 71 71 VAL HG23 H 1 1.021 0.030 . 1 . . . . 71 VAL HG2 . 11204 1 792 . 1 1 71 71 VAL C C 13 175.240 0.300 . 1 . . . . 71 VAL C . 11204 1 793 . 1 1 71 71 VAL CA C 13 62.323 0.300 . 1 . . . . 71 VAL CA . 11204 1 794 . 1 1 71 71 VAL CB C 13 32.465 0.300 . 1 . . . . 71 VAL CB . 11204 1 795 . 1 1 71 71 VAL CG1 C 13 21.457 0.300 . 2 . . . . 71 VAL CG1 . 11204 1 796 . 1 1 71 71 VAL CG2 C 13 21.131 0.300 . 2 . . . . 71 VAL CG2 . 11204 1 797 . 1 1 71 71 VAL N N 15 123.772 0.300 . 1 . . . . 71 VAL N . 11204 1 798 . 1 1 72 72 ASP H H 1 8.653 0.030 . 1 . . . . 72 ASP H . 11204 1 799 . 1 1 72 72 ASP HA H 1 4.651 0.030 . 1 . . . . 72 ASP HA . 11204 1 800 . 1 1 72 72 ASP HB2 H 1 2.872 0.030 . 1 . . . . 72 ASP HB2 . 11204 1 801 . 1 1 72 72 ASP HB3 H 1 2.872 0.030 . 1 . . . . 72 ASP HB3 . 11204 1 802 . 1 1 72 72 ASP C C 13 177.630 0.300 . 1 . . . . 72 ASP C . 11204 1 803 . 1 1 72 72 ASP CA C 13 54.939 0.300 . 1 . . . . 72 ASP CA . 11204 1 804 . 1 1 72 72 ASP CB C 13 41.349 0.300 . 1 . . . . 72 ASP CB . 11204 1 805 . 1 1 72 72 ASP N N 15 127.800 0.300 . 1 . . . . 72 ASP N . 11204 1 806 . 1 1 73 73 PHE H H 1 8.570 0.030 . 1 . . . . 73 PHE H . 11204 1 807 . 1 1 73 73 PHE HA H 1 4.617 0.030 . 1 . . . . 73 PHE HA . 11204 1 808 . 1 1 73 73 PHE HB2 H 1 3.200 0.030 . 2 . . . . 73 PHE HB2 . 11204 1 809 . 1 1 73 73 PHE HB3 H 1 2.707 0.030 . 2 . . . . 73 PHE HB3 . 11204 1 810 . 1 1 73 73 PHE HD1 H 1 7.112 0.030 . 1 . . . . 73 PHE HD1 . 11204 1 811 . 1 1 73 73 PHE HD2 H 1 7.112 0.030 . 1 . . . . 73 PHE HD2 . 11204 1 812 . 1 1 73 73 PHE HE1 H 1 6.972 0.030 . 1 . . . . 73 PHE HE1 . 11204 1 813 . 1 1 73 73 PHE HE2 H 1 6.972 0.030 . 1 . . . . 73 PHE HE2 . 11204 1 814 . 1 1 73 73 PHE HZ H 1 7.042 0.030 . 1 . . . . 73 PHE HZ . 11204 1 815 . 1 1 73 73 PHE C C 13 177.728 0.300 . 1 . . . . 73 PHE C . 11204 1 816 . 1 1 73 73 PHE CA C 13 57.701 0.300 . 1 . . . . 73 PHE CA . 11204 1 817 . 1 1 73 73 PHE CB C 13 39.055 0.300 . 1 . . . . 73 PHE CB . 11204 1 818 . 1 1 73 73 PHE CD1 C 13 130.355 0.300 . 1 . . . . 73 PHE CD1 . 11204 1 819 . 1 1 73 73 PHE CD2 C 13 130.355 0.300 . 1 . . . . 73 PHE CD2 . 11204 1 820 . 1 1 73 73 PHE CE1 C 13 130.422 0.300 . 1 . . . . 73 PHE CE1 . 11204 1 821 . 1 1 73 73 PHE CE2 C 13 130.422 0.300 . 1 . . . . 73 PHE CE2 . 11204 1 822 . 1 1 73 73 PHE CZ C 13 129.282 0.300 . 1 . . . . 73 PHE CZ . 11204 1 823 . 1 1 73 73 PHE N N 15 130.045 0.300 . 1 . . . . 73 PHE N . 11204 1 824 . 1 1 74 74 SER H H 1 9.104 0.030 . 1 . . . . 74 SER H . 11204 1 825 . 1 1 74 74 SER HA H 1 4.131 0.030 . 1 . . . . 74 SER HA . 11204 1 826 . 1 1 74 74 SER HB2 H 1 3.928 0.030 . 2 . . . . 74 SER HB2 . 11204 1 827 . 1 1 74 74 SER HB3 H 1 3.890 0.030 . 2 . . . . 74 SER HB3 . 11204 1 828 . 1 1 74 74 SER C C 13 174.637 0.300 . 1 . . . . 74 SER C . 11204 1 829 . 1 1 74 74 SER CA C 13 62.773 0.300 . 1 . . . . 74 SER CA . 11204 1 830 . 1 1 74 74 SER CB C 13 62.797 0.300 . 1 . . . . 74 SER CB . 11204 1 831 . 1 1 74 74 SER N N 15 119.140 0.300 . 1 . . . . 74 SER N . 11204 1 832 . 1 1 75 75 ASN H H 1 8.140 0.030 . 1 . . . . 75 ASN H . 11204 1 833 . 1 1 75 75 ASN HA H 1 4.905 0.030 . 1 . . . . 75 ASN HA . 11204 1 834 . 1 1 75 75 ASN HB2 H 1 2.842 0.030 . 2 . . . . 75 ASN HB2 . 11204 1 835 . 1 1 75 75 ASN HB3 H 1 2.549 0.030 . 2 . . . . 75 ASN HB3 . 11204 1 836 . 1 1 75 75 ASN HD21 H 1 7.551 0.030 . 2 . . . . 75 ASN HD21 . 11204 1 837 . 1 1 75 75 ASN HD22 H 1 6.800 0.030 . 2 . . . . 75 ASN HD22 . 11204 1 838 . 1 1 75 75 ASN C C 13 174.228 0.300 . 1 . . . . 75 ASN C . 11204 1 839 . 1 1 75 75 ASN CA C 13 52.408 0.300 . 1 . . . . 75 ASN CA . 11204 1 840 . 1 1 75 75 ASN CB C 13 39.411 0.300 . 1 . . . . 75 ASN CB . 11204 1 841 . 1 1 75 75 ASN N N 15 117.463 0.300 . 1 . . . . 75 ASN N . 11204 1 842 . 1 1 75 75 ASN ND2 N 15 112.667 0.300 . 1 . . . . 75 ASN ND2 . 11204 1 843 . 1 1 76 76 LEU H H 1 6.827 0.030 . 1 . . . . 76 LEU H . 11204 1 844 . 1 1 76 76 LEU HA H 1 4.347 0.030 . 1 . . . . 76 LEU HA . 11204 1 845 . 1 1 76 76 LEU HB2 H 1 1.300 0.030 . 2 . . . . 76 LEU HB2 . 11204 1 846 . 1 1 76 76 LEU HB3 H 1 1.246 0.030 . 2 . . . . 76 LEU HB3 . 11204 1 847 . 1 1 76 76 LEU HD11 H 1 0.278 0.030 . 1 . . . . 76 LEU HD1 . 11204 1 848 . 1 1 76 76 LEU HD12 H 1 0.278 0.030 . 1 . . . . 76 LEU HD1 . 11204 1 849 . 1 1 76 76 LEU HD13 H 1 0.278 0.030 . 1 . . . . 76 LEU HD1 . 11204 1 850 . 1 1 76 76 LEU HD21 H 1 0.431 0.030 . 1 . . . . 76 LEU HD2 . 11204 1 851 . 1 1 76 76 LEU HD22 H 1 0.431 0.030 . 1 . . . . 76 LEU HD2 . 11204 1 852 . 1 1 76 76 LEU HD23 H 1 0.431 0.030 . 1 . . . . 76 LEU HD2 . 11204 1 853 . 1 1 76 76 LEU HG H 1 1.587 0.030 . 1 . . . . 76 LEU HG . 11204 1 854 . 1 1 76 76 LEU C C 13 175.948 0.300 . 1 . . . . 76 LEU C . 11204 1 855 . 1 1 76 76 LEU CA C 13 54.240 0.300 . 1 . . . . 76 LEU CA . 11204 1 856 . 1 1 76 76 LEU CB C 13 44.119 0.300 . 1 . . . . 76 LEU CB . 11204 1 857 . 1 1 76 76 LEU CD1 C 13 24.148 0.300 . 2 . . . . 76 LEU CD1 . 11204 1 858 . 1 1 76 76 LEU CD2 C 13 24.354 0.300 . 2 . . . . 76 LEU CD2 . 11204 1 859 . 1 1 76 76 LEU CG C 13 26.316 0.300 . 1 . . . . 76 LEU CG . 11204 1 860 . 1 1 76 76 LEU N N 15 120.726 0.300 . 1 . . . . 76 LEU N . 11204 1 861 . 1 1 77 77 ASP H H 1 8.314 0.030 . 1 . . . . 77 ASP H . 11204 1 862 . 1 1 77 77 ASP HA H 1 4.576 0.030 . 1 . . . . 77 ASP HA . 11204 1 863 . 1 1 77 77 ASP HB2 H 1 2.895 0.030 . 2 . . . . 77 ASP HB2 . 11204 1 864 . 1 1 77 77 ASP HB3 H 1 2.636 0.030 . 2 . . . . 77 ASP HB3 . 11204 1 865 . 1 1 77 77 ASP C C 13 176.232 0.300 . 1 . . . . 77 ASP C . 11204 1 866 . 1 1 77 77 ASP CA C 13 53.261 0.300 . 1 . . . . 77 ASP CA . 11204 1 867 . 1 1 77 77 ASP CB C 13 42.361 0.300 . 1 . . . . 77 ASP CB . 11204 1 868 . 1 1 77 77 ASP N N 15 121.738 0.300 . 1 . . . . 77 ASP N . 11204 1 869 . 1 1 78 78 HIS H H 1 8.536 0.030 . 1 . . . . 78 HIS H . 11204 1 870 . 1 1 78 78 HIS HA H 1 3.782 0.030 . 1 . . . . 78 HIS HA . 11204 1 871 . 1 1 78 78 HIS HB2 H 1 3.252 0.030 . 2 . . . . 78 HIS HB2 . 11204 1 872 . 1 1 78 78 HIS HB3 H 1 3.027 0.030 . 2 . . . . 78 HIS HB3 . 11204 1 873 . 1 1 78 78 HIS HD2 H 1 6.722 0.030 . 1 . . . . 78 HIS HD2 . 11204 1 874 . 1 1 78 78 HIS HE1 H 1 7.726 0.030 . 1 . . . . 78 HIS HE1 . 11204 1 875 . 1 1 78 78 HIS C C 13 176.099 0.300 . 1 . . . . 78 HIS C . 11204 1 876 . 1 1 78 78 HIS CA C 13 61.544 0.300 . 1 . . . . 78 HIS CA . 11204 1 877 . 1 1 78 78 HIS CB C 13 31.355 0.300 . 1 . . . . 78 HIS CB . 11204 1 878 . 1 1 78 78 HIS CD2 C 13 117.511 0.300 . 1 . . . . 78 HIS CD2 . 11204 1 879 . 1 1 78 78 HIS CE1 C 13 138.352 0.300 . 1 . . . . 78 HIS CE1 . 11204 1 880 . 1 1 78 78 HIS N N 15 121.374 0.300 . 1 . . . . 78 HIS N . 11204 1 881 . 1 1 79 79 LYS H H 1 8.069 0.030 . 1 . . . . 79 LYS H . 11204 1 882 . 1 1 79 79 LYS HA H 1 3.814 0.030 . 1 . . . . 79 LYS HA . 11204 1 883 . 1 1 79 79 LYS HB2 H 1 1.888 0.030 . 2 . . . . 79 LYS HB2 . 11204 1 884 . 1 1 79 79 LYS HB3 H 1 1.794 0.030 . 2 . . . . 79 LYS HB3 . 11204 1 885 . 1 1 79 79 LYS HD2 H 1 1.695 0.030 . 1 . . . . 79 LYS HD2 . 11204 1 886 . 1 1 79 79 LYS HD3 H 1 1.695 0.030 . 1 . . . . 79 LYS HD3 . 11204 1 887 . 1 1 79 79 LYS HE2 H 1 3.017 0.030 . 1 . . . . 79 LYS HE2 . 11204 1 888 . 1 1 79 79 LYS HE3 H 1 3.017 0.030 . 1 . . . . 79 LYS HE3 . 11204 1 889 . 1 1 79 79 LYS HG2 H 1 1.411 0.030 . 2 . . . . 79 LYS HG2 . 11204 1 890 . 1 1 79 79 LYS HG3 H 1 1.357 0.030 . 2 . . . . 79 LYS HG3 . 11204 1 891 . 1 1 79 79 LYS C C 13 179.308 0.300 . 1 . . . . 79 LYS C . 11204 1 892 . 1 1 79 79 LYS CA C 13 59.601 0.300 . 1 . . . . 79 LYS CA . 11204 1 893 . 1 1 79 79 LYS CB C 13 31.854 0.300 . 1 . . . . 79 LYS CB . 11204 1 894 . 1 1 79 79 LYS CD C 13 29.251 0.300 . 1 . . . . 79 LYS CD . 11204 1 895 . 1 1 79 79 LYS CE C 13 41.945 0.300 . 1 . . . . 79 LYS CE . 11204 1 896 . 1 1 79 79 LYS CG C 13 24.842 0.300 . 1 . . . . 79 LYS CG . 11204 1 897 . 1 1 79 79 LYS N N 15 116.885 0.300 . 1 . . . . 79 LYS N . 11204 1 898 . 1 1 80 80 GLU H H 1 7.687 0.030 . 1 . . . . 80 GLU H . 11204 1 899 . 1 1 80 80 GLU HA H 1 4.127 0.030 . 1 . . . . 80 GLU HA . 11204 1 900 . 1 1 80 80 GLU HB2 H 1 2.040 0.030 . 2 . . . . 80 GLU HB2 . 11204 1 901 . 1 1 80 80 GLU HB3 H 1 1.865 0.030 . 2 . . . . 80 GLU HB3 . 11204 1 902 . 1 1 80 80 GLU HG2 H 1 2.345 0.030 . 2 . . . . 80 GLU HG2 . 11204 1 903 . 1 1 80 80 GLU HG3 H 1 2.266 0.030 . 2 . . . . 80 GLU HG3 . 11204 1 904 . 1 1 80 80 GLU C C 13 178.582 0.300 . 1 . . . . 80 GLU C . 11204 1 905 . 1 1 80 80 GLU CA C 13 58.281 0.300 . 1 . . . . 80 GLU CA . 11204 1 906 . 1 1 80 80 GLU CB C 13 29.697 0.300 . 1 . . . . 80 GLU CB . 11204 1 907 . 1 1 80 80 GLU CG C 13 36.343 0.300 . 1 . . . . 80 GLU CG . 11204 1 908 . 1 1 80 80 GLU N N 15 118.994 0.300 . 1 . . . . 80 GLU N . 11204 1 909 . 1 1 81 81 ALA H H 1 8.013 0.030 . 1 . . . . 81 ALA H . 11204 1 910 . 1 1 81 81 ALA HA H 1 3.383 0.030 . 1 . . . . 81 ALA HA . 11204 1 911 . 1 1 81 81 ALA HB1 H 1 0.910 0.030 . 1 . . . . 81 ALA HB . 11204 1 912 . 1 1 81 81 ALA HB2 H 1 0.910 0.030 . 1 . . . . 81 ALA HB . 11204 1 913 . 1 1 81 81 ALA HB3 H 1 0.910 0.030 . 1 . . . . 81 ALA HB . 11204 1 914 . 1 1 81 81 ALA C C 13 179.135 0.300 . 1 . . . . 81 ALA C . 11204 1 915 . 1 1 81 81 ALA CA C 13 55.061 0.300 . 1 . . . . 81 ALA CA . 11204 1 916 . 1 1 81 81 ALA CB C 13 18.789 0.300 . 1 . . . . 81 ALA CB . 11204 1 917 . 1 1 81 81 ALA N N 15 122.630 0.300 . 1 . . . . 81 ALA N . 11204 1 918 . 1 1 82 82 VAL H H 1 8.092 0.030 . 1 . . . . 82 VAL H . 11204 1 919 . 1 1 82 82 VAL HA H 1 3.387 0.030 . 1 . . . . 82 VAL HA . 11204 1 920 . 1 1 82 82 VAL HB H 1 1.989 0.030 . 1 . . . . 82 VAL HB . 11204 1 921 . 1 1 82 82 VAL HG11 H 1 0.804 0.030 . 1 . . . . 82 VAL HG1 . 11204 1 922 . 1 1 82 82 VAL HG12 H 1 0.804 0.030 . 1 . . . . 82 VAL HG1 . 11204 1 923 . 1 1 82 82 VAL HG13 H 1 0.804 0.030 . 1 . . . . 82 VAL HG1 . 11204 1 924 . 1 1 82 82 VAL HG21 H 1 0.893 0.030 . 1 . . . . 82 VAL HG2 . 11204 1 925 . 1 1 82 82 VAL HG22 H 1 0.893 0.030 . 1 . . . . 82 VAL HG2 . 11204 1 926 . 1 1 82 82 VAL HG23 H 1 0.893 0.030 . 1 . . . . 82 VAL HG2 . 11204 1 927 . 1 1 82 82 VAL C C 13 178.232 0.300 . 1 . . . . 82 VAL C . 11204 1 928 . 1 1 82 82 VAL CA C 13 66.750 0.300 . 1 . . . . 82 VAL CA . 11204 1 929 . 1 1 82 82 VAL CB C 13 31.656 0.300 . 1 . . . . 82 VAL CB . 11204 1 930 . 1 1 82 82 VAL CG1 C 13 23.130 0.300 . 2 . . . . 82 VAL CG1 . 11204 1 931 . 1 1 82 82 VAL CG2 C 13 21.439 0.300 . 2 . . . . 82 VAL CG2 . 11204 1 932 . 1 1 82 82 VAL N N 15 116.911 0.300 . 1 . . . . 82 VAL N . 11204 1 933 . 1 1 83 83 ASN H H 1 7.462 0.030 . 1 . . . . 83 ASN H . 11204 1 934 . 1 1 83 83 ASN HA H 1 4.395 0.030 . 1 . . . . 83 ASN HA . 11204 1 935 . 1 1 83 83 ASN HB2 H 1 2.917 0.030 . 2 . . . . 83 ASN HB2 . 11204 1 936 . 1 1 83 83 ASN HB3 H 1 2.848 0.030 . 2 . . . . 83 ASN HB3 . 11204 1 937 . 1 1 83 83 ASN HD21 H 1 7.672 0.030 . 2 . . . . 83 ASN HD21 . 11204 1 938 . 1 1 83 83 ASN HD22 H 1 6.783 0.030 . 2 . . . . 83 ASN HD22 . 11204 1 939 . 1 1 83 83 ASN C C 13 178.939 0.300 . 1 . . . . 83 ASN C . 11204 1 940 . 1 1 83 83 ASN CA C 13 56.243 0.300 . 1 . . . . 83 ASN CA . 11204 1 941 . 1 1 83 83 ASN CB C 13 37.980 0.300 . 1 . . . . 83 ASN CB . 11204 1 942 . 1 1 83 83 ASN N N 15 117.315 0.300 . 1 . . . . 83 ASN N . 11204 1 943 . 1 1 83 83 ASN ND2 N 15 112.373 0.300 . 1 . . . . 83 ASN ND2 . 11204 1 944 . 1 1 84 84 VAL H H 1 8.279 0.030 . 1 . . . . 84 VAL H . 11204 1 945 . 1 1 84 84 VAL HA H 1 3.681 0.030 . 1 . . . . 84 VAL HA . 11204 1 946 . 1 1 84 84 VAL HB H 1 2.320 0.030 . 1 . . . . 84 VAL HB . 11204 1 947 . 1 1 84 84 VAL HG11 H 1 1.151 0.030 . 1 . . . . 84 VAL HG1 . 11204 1 948 . 1 1 84 84 VAL HG12 H 1 1.151 0.030 . 1 . . . . 84 VAL HG1 . 11204 1 949 . 1 1 84 84 VAL HG13 H 1 1.151 0.030 . 1 . . . . 84 VAL HG1 . 11204 1 950 . 1 1 84 84 VAL HG21 H 1 1.036 0.030 . 1 . . . . 84 VAL HG2 . 11204 1 951 . 1 1 84 84 VAL HG22 H 1 1.036 0.030 . 1 . . . . 84 VAL HG2 . 11204 1 952 . 1 1 84 84 VAL HG23 H 1 1.036 0.030 . 1 . . . . 84 VAL HG2 . 11204 1 953 . 1 1 84 84 VAL C C 13 179.695 0.300 . 1 . . . . 84 VAL C . 11204 1 954 . 1 1 84 84 VAL CA C 13 66.867 0.300 . 1 . . . . 84 VAL CA . 11204 1 955 . 1 1 84 84 VAL CB C 13 31.775 0.300 . 1 . . . . 84 VAL CB . 11204 1 956 . 1 1 84 84 VAL CG1 C 13 22.942 0.300 . 2 . . . . 84 VAL CG1 . 11204 1 957 . 1 1 84 84 VAL CG2 C 13 21.197 0.300 . 2 . . . . 84 VAL CG2 . 11204 1 958 . 1 1 84 84 VAL N N 15 121.952 0.300 . 1 . . . . 84 VAL N . 11204 1 959 . 1 1 85 85 LEU H H 1 7.913 0.030 . 1 . . . . 85 LEU H . 11204 1 960 . 1 1 85 85 LEU HA H 1 3.995 0.030 . 1 . . . . 85 LEU HA . 11204 1 961 . 1 1 85 85 LEU HB2 H 1 1.980 0.030 . 2 . . . . 85 LEU HB2 . 11204 1 962 . 1 1 85 85 LEU HB3 H 1 1.483 0.030 . 2 . . . . 85 LEU HB3 . 11204 1 963 . 1 1 85 85 LEU HD11 H 1 0.794 0.030 . 1 . . . . 85 LEU HD1 . 11204 1 964 . 1 1 85 85 LEU HD12 H 1 0.794 0.030 . 1 . . . . 85 LEU HD1 . 11204 1 965 . 1 1 85 85 LEU HD13 H 1 0.794 0.030 . 1 . . . . 85 LEU HD1 . 11204 1 966 . 1 1 85 85 LEU HD21 H 1 0.748 0.030 . 1 . . . . 85 LEU HD2 . 11204 1 967 . 1 1 85 85 LEU HD22 H 1 0.748 0.030 . 1 . . . . 85 LEU HD2 . 11204 1 968 . 1 1 85 85 LEU HD23 H 1 0.748 0.030 . 1 . . . . 85 LEU HD2 . 11204 1 969 . 1 1 85 85 LEU HG H 1 1.908 0.030 . 1 . . . . 85 LEU HG . 11204 1 970 . 1 1 85 85 LEU C C 13 177.214 0.300 . 1 . . . . 85 LEU C . 11204 1 971 . 1 1 85 85 LEU CA C 13 57.924 0.300 . 1 . . . . 85 LEU CA . 11204 1 972 . 1 1 85 85 LEU CB C 13 41.725 0.300 . 1 . . . . 85 LEU CB . 11204 1 973 . 1 1 85 85 LEU CD1 C 13 25.720 0.300 . 2 . . . . 85 LEU CD1 . 11204 1 974 . 1 1 85 85 LEU CD2 C 13 23.871 0.300 . 2 . . . . 85 LEU CD2 . 11204 1 975 . 1 1 85 85 LEU CG C 13 27.350 0.300 . 1 . . . . 85 LEU CG . 11204 1 976 . 1 1 85 85 LEU N N 15 119.382 0.300 . 1 . . . . 85 LEU N . 11204 1 977 . 1 1 86 86 LYS H H 1 7.681 0.030 . 1 . . . . 86 LYS H . 11204 1 978 . 1 1 86 86 LYS HA H 1 4.472 0.030 . 1 . . . . 86 LYS HA . 11204 1 979 . 1 1 86 86 LYS HB2 H 1 1.949 0.030 . 2 . . . . 86 LYS HB2 . 11204 1 980 . 1 1 86 86 LYS HB3 H 1 1.889 0.030 . 2 . . . . 86 LYS HB3 . 11204 1 981 . 1 1 86 86 LYS HD2 H 1 1.668 0.030 . 1 . . . . 86 LYS HD2 . 11204 1 982 . 1 1 86 86 LYS HD3 H 1 1.668 0.030 . 1 . . . . 86 LYS HD3 . 11204 1 983 . 1 1 86 86 LYS HE2 H 1 2.982 0.030 . 1 . . . . 86 LYS HE2 . 11204 1 984 . 1 1 86 86 LYS HE3 H 1 2.982 0.030 . 1 . . . . 86 LYS HE3 . 11204 1 985 . 1 1 86 86 LYS HG2 H 1 1.562 0.030 . 1 . . . . 86 LYS HG2 . 11204 1 986 . 1 1 86 86 LYS HG3 H 1 1.562 0.030 . 1 . . . . 86 LYS HG3 . 11204 1 987 . 1 1 86 86 LYS C C 13 178.077 0.300 . 1 . . . . 86 LYS C . 11204 1 988 . 1 1 86 86 LYS CA C 13 56.784 0.300 . 1 . . . . 86 LYS CA . 11204 1 989 . 1 1 86 86 LYS CB C 13 33.102 0.300 . 1 . . . . 86 LYS CB . 11204 1 990 . 1 1 86 86 LYS CD C 13 29.583 0.300 . 1 . . . . 86 LYS CD . 11204 1 991 . 1 1 86 86 LYS CE C 13 42.137 0.300 . 1 . . . . 86 LYS CE . 11204 1 992 . 1 1 86 86 LYS CG C 13 24.960 0.300 . 1 . . . . 86 LYS CG . 11204 1 993 . 1 1 86 86 LYS N N 15 114.150 0.300 . 1 . . . . 86 LYS N . 11204 1 994 . 1 1 87 87 SER H H 1 7.647 0.030 . 1 . . . . 87 SER H . 11204 1 995 . 1 1 87 87 SER HA H 1 4.389 0.030 . 1 . . . . 87 SER HA . 11204 1 996 . 1 1 87 87 SER HB2 H 1 4.114 0.030 . 2 . . . . 87 SER HB2 . 11204 1 997 . 1 1 87 87 SER HB3 H 1 4.056 0.030 . 2 . . . . 87 SER HB3 . 11204 1 998 . 1 1 87 87 SER C C 13 173.964 0.300 . 1 . . . . 87 SER C . 11204 1 999 . 1 1 87 87 SER CA C 13 60.284 0.300 . 1 . . . . 87 SER CA . 11204 1 1000 . 1 1 87 87 SER CB C 13 64.471 0.300 . 1 . . . . 87 SER CB . 11204 1 1001 . 1 1 87 87 SER N N 15 113.720 0.300 . 1 . . . . 87 SER N . 11204 1 1002 . 1 1 88 88 SER H H 1 7.208 0.030 . 1 . . . . 88 SER H . 11204 1 1003 . 1 1 88 88 SER HA H 1 4.711 0.030 . 1 . . . . 88 SER HA . 11204 1 1004 . 1 1 88 88 SER HB2 H 1 3.791 0.030 . 2 . . . . 88 SER HB2 . 11204 1 1005 . 1 1 88 88 SER HB3 H 1 3.531 0.030 . 2 . . . . 88 SER HB3 . 11204 1 1006 . 1 1 88 88 SER C C 13 173.355 0.300 . 1 . . . . 88 SER C . 11204 1 1007 . 1 1 88 88 SER CA C 13 57.508 0.300 . 1 . . . . 88 SER CA . 11204 1 1008 . 1 1 88 88 SER CB C 13 64.839 0.300 . 1 . . . . 88 SER CB . 11204 1 1009 . 1 1 88 88 SER N N 15 114.434 0.300 . 1 . . . . 88 SER N . 11204 1 1010 . 1 1 89 89 ARG H H 1 8.652 0.030 . 1 . . . . 89 ARG H . 11204 1 1011 . 1 1 89 89 ARG HA H 1 4.365 0.030 . 1 . . . . 89 ARG HA . 11204 1 1012 . 1 1 89 89 ARG HB2 H 1 2.118 0.030 . 2 . . . . 89 ARG HB2 . 11204 1 1013 . 1 1 89 89 ARG HB3 H 1 1.807 0.030 . 2 . . . . 89 ARG HB3 . 11204 1 1014 . 1 1 89 89 ARG HD2 H 1 3.221 0.030 . 1 . . . . 89 ARG HD2 . 11204 1 1015 . 1 1 89 89 ARG HD3 H 1 3.221 0.030 . 1 . . . . 89 ARG HD3 . 11204 1 1016 . 1 1 89 89 ARG HG2 H 1 1.785 0.030 . 2 . . . . 89 ARG HG2 . 11204 1 1017 . 1 1 89 89 ARG HG3 H 1 1.687 0.030 . 2 . . . . 89 ARG HG3 . 11204 1 1018 . 1 1 89 89 ARG C C 13 175.148 0.300 . 1 . . . . 89 ARG C . 11204 1 1019 . 1 1 89 89 ARG CA C 13 56.867 0.300 . 1 . . . . 89 ARG CA . 11204 1 1020 . 1 1 89 89 ARG CB C 13 30.385 0.300 . 1 . . . . 89 ARG CB . 11204 1 1021 . 1 1 89 89 ARG CD C 13 43.213 0.300 . 1 . . . . 89 ARG CD . 11204 1 1022 . 1 1 89 89 ARG CG C 13 27.571 0.300 . 1 . . . . 89 ARG CG . 11204 1 1023 . 1 1 90 90 SER H H 1 7.921 0.030 . 1 . . . . 90 SER H . 11204 1 1024 . 1 1 90 90 SER HA H 1 4.878 0.030 . 1 . . . . 90 SER HA . 11204 1 1025 . 1 1 90 90 SER HB2 H 1 3.889 0.030 . 2 . . . . 90 SER HB2 . 11204 1 1026 . 1 1 90 90 SER HB3 H 1 3.774 0.030 . 2 . . . . 90 SER HB3 . 11204 1 1027 . 1 1 90 90 SER C C 13 173.267 0.300 . 1 . . . . 90 SER C . 11204 1 1028 . 1 1 90 90 SER CA C 13 56.993 0.300 . 1 . . . . 90 SER CA . 11204 1 1029 . 1 1 90 90 SER CB C 13 64.690 0.300 . 1 . . . . 90 SER CB . 11204 1 1030 . 1 1 90 90 SER N N 15 113.739 0.300 . 1 . . . . 90 SER N . 11204 1 1031 . 1 1 91 91 LEU H H 1 8.908 0.030 . 1 . . . . 91 LEU H . 11204 1 1032 . 1 1 91 91 LEU HA H 1 4.887 0.030 . 1 . . . . 91 LEU HA . 11204 1 1033 . 1 1 91 91 LEU HB2 H 1 1.641 0.030 . 2 . . . . 91 LEU HB2 . 11204 1 1034 . 1 1 91 91 LEU HB3 H 1 1.017 0.030 . 2 . . . . 91 LEU HB3 . 11204 1 1035 . 1 1 91 91 LEU HD11 H 1 0.879 0.030 . 1 . . . . 91 LEU HD1 . 11204 1 1036 . 1 1 91 91 LEU HD12 H 1 0.879 0.030 . 1 . . . . 91 LEU HD1 . 11204 1 1037 . 1 1 91 91 LEU HD13 H 1 0.879 0.030 . 1 . . . . 91 LEU HD1 . 11204 1 1038 . 1 1 91 91 LEU HD21 H 1 0.807 0.030 . 1 . . . . 91 LEU HD2 . 11204 1 1039 . 1 1 91 91 LEU HD22 H 1 0.807 0.030 . 1 . . . . 91 LEU HD2 . 11204 1 1040 . 1 1 91 91 LEU HD23 H 1 0.807 0.030 . 1 . . . . 91 LEU HD2 . 11204 1 1041 . 1 1 91 91 LEU HG H 1 1.391 0.030 . 1 . . . . 91 LEU HG . 11204 1 1042 . 1 1 91 91 LEU C C 13 174.626 0.300 . 1 . . . . 91 LEU C . 11204 1 1043 . 1 1 91 91 LEU CA C 13 54.035 0.300 . 1 . . . . 91 LEU CA . 11204 1 1044 . 1 1 91 91 LEU CB C 13 46.136 0.300 . 1 . . . . 91 LEU CB . 11204 1 1045 . 1 1 91 91 LEU CD1 C 13 27.395 0.300 . 2 . . . . 91 LEU CD1 . 11204 1 1046 . 1 1 91 91 LEU CD2 C 13 24.642 0.300 . 2 . . . . 91 LEU CD2 . 11204 1 1047 . 1 1 91 91 LEU CG C 13 26.622 0.300 . 1 . . . . 91 LEU CG . 11204 1 1048 . 1 1 91 91 LEU N N 15 124.683 0.300 . 1 . . . . 91 LEU N . 11204 1 1049 . 1 1 92 92 THR H H 1 8.952 0.030 . 1 . . . . 92 THR H . 11204 1 1050 . 1 1 92 92 THR HA H 1 4.860 0.030 . 1 . . . . 92 THR HA . 11204 1 1051 . 1 1 92 92 THR HB H 1 4.162 0.030 . 1 . . . . 92 THR HB . 11204 1 1052 . 1 1 92 92 THR HG21 H 1 1.114 0.030 . 1 . . . . 92 THR HG2 . 11204 1 1053 . 1 1 92 92 THR HG22 H 1 1.114 0.030 . 1 . . . . 92 THR HG2 . 11204 1 1054 . 1 1 92 92 THR HG23 H 1 1.114 0.030 . 1 . . . . 92 THR HG2 . 11204 1 1055 . 1 1 92 92 THR C C 13 174.553 0.300 . 1 . . . . 92 THR C . 11204 1 1056 . 1 1 92 92 THR CA C 13 62.276 0.300 . 1 . . . . 92 THR CA . 11204 1 1057 . 1 1 92 92 THR CB C 13 68.935 0.300 . 1 . . . . 92 THR CB . 11204 1 1058 . 1 1 92 92 THR CG2 C 13 21.431 0.300 . 1 . . . . 92 THR CG2 . 11204 1 1059 . 1 1 92 92 THR N N 15 121.435 0.300 . 1 . . . . 92 THR N . 11204 1 1060 . 1 1 93 93 ILE H H 1 9.180 0.030 . 1 . . . . 93 ILE H . 11204 1 1061 . 1 1 93 93 ILE HA H 1 4.531 0.030 . 1 . . . . 93 ILE HA . 11204 1 1062 . 1 1 93 93 ILE HB H 1 1.655 0.030 . 1 . . . . 93 ILE HB . 11204 1 1063 . 1 1 93 93 ILE HD11 H 1 0.574 0.030 . 1 . . . . 93 ILE HD1 . 11204 1 1064 . 1 1 93 93 ILE HD12 H 1 0.574 0.030 . 1 . . . . 93 ILE HD1 . 11204 1 1065 . 1 1 93 93 ILE HD13 H 1 0.574 0.030 . 1 . . . . 93 ILE HD1 . 11204 1 1066 . 1 1 93 93 ILE HG12 H 1 1.428 0.030 . 2 . . . . 93 ILE HG12 . 11204 1 1067 . 1 1 93 93 ILE HG13 H 1 0.685 0.030 . 2 . . . . 93 ILE HG13 . 11204 1 1068 . 1 1 93 93 ILE HG21 H 1 0.678 0.030 . 1 . . . . 93 ILE HG2 . 11204 1 1069 . 1 1 93 93 ILE HG22 H 1 0.678 0.030 . 1 . . . . 93 ILE HG2 . 11204 1 1070 . 1 1 93 93 ILE HG23 H 1 0.678 0.030 . 1 . . . . 93 ILE HG2 . 11204 1 1071 . 1 1 93 93 ILE C C 13 174.524 0.300 . 1 . . . . 93 ILE C . 11204 1 1072 . 1 1 93 93 ILE CA C 13 60.522 0.300 . 1 . . . . 93 ILE CA . 11204 1 1073 . 1 1 93 93 ILE CB C 13 40.750 0.300 . 1 . . . . 93 ILE CB . 11204 1 1074 . 1 1 93 93 ILE CD1 C 13 13.177 0.300 . 1 . . . . 93 ILE CD1 . 11204 1 1075 . 1 1 93 93 ILE CG1 C 13 27.341 0.300 . 1 . . . . 93 ILE CG1 . 11204 1 1076 . 1 1 93 93 ILE CG2 C 13 18.171 0.300 . 1 . . . . 93 ILE CG2 . 11204 1 1077 . 1 1 93 93 ILE N N 15 128.410 0.300 . 1 . . . . 93 ILE N . 11204 1 1078 . 1 1 94 94 SER H H 1 8.955 0.030 . 1 . . . . 94 SER H . 11204 1 1079 . 1 1 94 94 SER HA H 1 5.298 0.030 . 1 . . . . 94 SER HA . 11204 1 1080 . 1 1 94 94 SER HB2 H 1 3.742 0.030 . 2 . . . . 94 SER HB2 . 11204 1 1081 . 1 1 94 94 SER HB3 H 1 3.660 0.030 . 2 . . . . 94 SER HB3 . 11204 1 1082 . 1 1 94 94 SER C C 13 174.111 0.300 . 1 . . . . 94 SER C . 11204 1 1083 . 1 1 94 94 SER CA C 13 57.614 0.300 . 1 . . . . 94 SER CA . 11204 1 1084 . 1 1 94 94 SER CB C 13 63.814 0.300 . 1 . . . . 94 SER CB . 11204 1 1085 . 1 1 94 94 SER N N 15 123.348 0.300 . 1 . . . . 94 SER N . 11204 1 1086 . 1 1 95 95 ILE H H 1 9.232 0.030 . 1 . . . . 95 ILE H . 11204 1 1087 . 1 1 95 95 ILE HA H 1 5.565 0.030 . 1 . . . . 95 ILE HA . 11204 1 1088 . 1 1 95 95 ILE HB H 1 1.672 0.030 . 1 . . . . 95 ILE HB . 11204 1 1089 . 1 1 95 95 ILE HD11 H 1 0.675 0.030 . 1 . . . . 95 ILE HD1 . 11204 1 1090 . 1 1 95 95 ILE HD12 H 1 0.675 0.030 . 1 . . . . 95 ILE HD1 . 11204 1 1091 . 1 1 95 95 ILE HD13 H 1 0.675 0.030 . 1 . . . . 95 ILE HD1 . 11204 1 1092 . 1 1 95 95 ILE HG12 H 1 1.317 0.030 . 2 . . . . 95 ILE HG12 . 11204 1 1093 . 1 1 95 95 ILE HG13 H 1 1.000 0.030 . 2 . . . . 95 ILE HG13 . 11204 1 1094 . 1 1 95 95 ILE HG21 H 1 0.730 0.030 . 1 . . . . 95 ILE HG2 . 11204 1 1095 . 1 1 95 95 ILE HG22 H 1 0.730 0.030 . 1 . . . . 95 ILE HG2 . 11204 1 1096 . 1 1 95 95 ILE HG23 H 1 0.730 0.030 . 1 . . . . 95 ILE HG2 . 11204 1 1097 . 1 1 95 95 ILE C C 13 176.228 0.300 . 1 . . . . 95 ILE C . 11204 1 1098 . 1 1 95 95 ILE CA C 13 57.907 0.300 . 1 . . . . 95 ILE CA . 11204 1 1099 . 1 1 95 95 ILE CB C 13 43.001 0.300 . 1 . . . . 95 ILE CB . 11204 1 1100 . 1 1 95 95 ILE CD1 C 13 14.498 0.300 . 1 . . . . 95 ILE CD1 . 11204 1 1101 . 1 1 95 95 ILE CG1 C 13 26.690 0.300 . 1 . . . . 95 ILE CG1 . 11204 1 1102 . 1 1 95 95 ILE CG2 C 13 18.291 0.300 . 1 . . . . 95 ILE CG2 . 11204 1 1103 . 1 1 95 95 ILE N N 15 122.645 0.300 . 1 . . . . 95 ILE N . 11204 1 1104 . 1 1 96 96 VAL H H 1 8.895 0.030 . 1 . . . . 96 VAL H . 11204 1 1105 . 1 1 96 96 VAL HA H 1 4.292 0.030 . 1 . . . . 96 VAL HA . 11204 1 1106 . 1 1 96 96 VAL HB H 1 1.970 0.030 . 1 . . . . 96 VAL HB . 11204 1 1107 . 1 1 96 96 VAL HG11 H 1 0.949 0.030 . 1 . . . . 96 VAL HG1 . 11204 1 1108 . 1 1 96 96 VAL HG12 H 1 0.949 0.030 . 1 . . . . 96 VAL HG1 . 11204 1 1109 . 1 1 96 96 VAL HG13 H 1 0.949 0.030 . 1 . . . . 96 VAL HG1 . 11204 1 1110 . 1 1 96 96 VAL HG21 H 1 0.854 0.030 . 1 . . . . 96 VAL HG2 . 11204 1 1111 . 1 1 96 96 VAL HG22 H 1 0.854 0.030 . 1 . . . . 96 VAL HG2 . 11204 1 1112 . 1 1 96 96 VAL HG23 H 1 0.854 0.030 . 1 . . . . 96 VAL HG2 . 11204 1 1113 . 1 1 96 96 VAL C C 13 176.632 0.300 . 1 . . . . 96 VAL C . 11204 1 1114 . 1 1 96 96 VAL CA C 13 62.671 0.300 . 1 . . . . 96 VAL CA . 11204 1 1115 . 1 1 96 96 VAL CB C 13 32.204 0.300 . 1 . . . . 96 VAL CB . 11204 1 1116 . 1 1 96 96 VAL CG1 C 13 22.143 0.300 . 2 . . . . 96 VAL CG1 . 11204 1 1117 . 1 1 96 96 VAL CG2 C 13 21.182 0.300 . 2 . . . . 96 VAL CG2 . 11204 1 1118 . 1 1 96 96 VAL N N 15 123.051 0.300 . 1 . . . . 96 VAL N . 11204 1 1119 . 1 1 97 97 ALA H H 1 9.032 0.030 . 1 . . . . 97 ALA H . 11204 1 1120 . 1 1 97 97 ALA HA H 1 4.150 0.030 . 1 . . . . 97 ALA HA . 11204 1 1121 . 1 1 97 97 ALA HB1 H 1 1.367 0.030 . 1 . . . . 97 ALA HB . 11204 1 1122 . 1 1 97 97 ALA HB2 H 1 1.367 0.030 . 1 . . . . 97 ALA HB . 11204 1 1123 . 1 1 97 97 ALA HB3 H 1 1.367 0.030 . 1 . . . . 97 ALA HB . 11204 1 1124 . 1 1 97 97 ALA C C 13 178.114 0.300 . 1 . . . . 97 ALA C . 11204 1 1125 . 1 1 97 97 ALA CA C 13 53.193 0.300 . 1 . . . . 97 ALA CA . 11204 1 1126 . 1 1 97 97 ALA CB C 13 18.323 0.300 . 1 . . . . 97 ALA CB . 11204 1 1127 . 1 1 97 97 ALA N N 15 132.454 0.300 . 1 . . . . 97 ALA N . 11204 1 1128 . 1 1 98 98 ALA H H 1 9.736 0.030 . 1 . . . . 98 ALA H . 11204 1 1129 . 1 1 98 98 ALA HA H 1 4.175 0.030 . 1 . . . . 98 ALA HA . 11204 1 1130 . 1 1 98 98 ALA HB1 H 1 1.492 0.030 . 1 . . . . 98 ALA HB . 11204 1 1131 . 1 1 98 98 ALA HB2 H 1 1.492 0.030 . 1 . . . . 98 ALA HB . 11204 1 1132 . 1 1 98 98 ALA HB3 H 1 1.492 0.030 . 1 . . . . 98 ALA HB . 11204 1 1133 . 1 1 98 98 ALA C C 13 178.054 0.300 . 1 . . . . 98 ALA C . 11204 1 1134 . 1 1 98 98 ALA CA C 13 53.740 0.300 . 1 . . . . 98 ALA CA . 11204 1 1135 . 1 1 98 98 ALA CB C 13 17.605 0.300 . 1 . . . . 98 ALA CB . 11204 1 1136 . 1 1 98 98 ALA N N 15 120.395 0.300 . 1 . . . . 98 ALA N . 11204 1 1137 . 1 1 99 99 ALA H H 1 7.264 0.030 . 1 . . . . 99 ALA H . 11204 1 1138 . 1 1 99 99 ALA HA H 1 4.281 0.030 . 1 . . . . 99 ALA HA . 11204 1 1139 . 1 1 99 99 ALA HB1 H 1 1.695 0.030 . 1 . . . . 99 ALA HB . 11204 1 1140 . 1 1 99 99 ALA HB2 H 1 1.695 0.030 . 1 . . . . 99 ALA HB . 11204 1 1141 . 1 1 99 99 ALA HB3 H 1 1.695 0.030 . 1 . . . . 99 ALA HB . 11204 1 1142 . 1 1 99 99 ALA C C 13 178.469 0.300 . 1 . . . . 99 ALA C . 11204 1 1143 . 1 1 99 99 ALA CA C 13 55.234 0.300 . 1 . . . . 99 ALA CA . 11204 1 1144 . 1 1 99 99 ALA CB C 13 20.380 0.300 . 1 . . . . 99 ALA CB . 11204 1 1145 . 1 1 99 99 ALA N N 15 122.659 0.300 . 1 . . . . 99 ALA N . 11204 1 1146 . 1 1 100 100 GLY H H 1 9.356 0.030 . 1 . . . . 100 GLY H . 11204 1 1147 . 1 1 100 100 GLY HA2 H 1 4.381 0.030 . 2 . . . . 100 GLY HA2 . 11204 1 1148 . 1 1 100 100 GLY HA3 H 1 3.162 0.030 . 2 . . . . 100 GLY HA3 . 11204 1 1149 . 1 1 100 100 GLY C C 13 175.344 0.300 . 1 . . . . 100 GLY C . 11204 1 1150 . 1 1 100 100 GLY CA C 13 45.461 0.300 . 1 . . . . 100 GLY CA . 11204 1 1151 . 1 1 100 100 GLY N N 15 103.893 0.300 . 1 . . . . 100 GLY N . 11204 1 1152 . 1 1 101 101 ARG H H 1 7.611 0.030 . 1 . . . . 101 ARG H . 11204 1 1153 . 1 1 101 101 ARG HA H 1 3.859 0.030 . 1 . . . . 101 ARG HA . 11204 1 1154 . 1 1 101 101 ARG HB2 H 1 1.938 0.030 . 2 . . . . 101 ARG HB2 . 11204 1 1155 . 1 1 101 101 ARG HB3 H 1 1.894 0.030 . 2 . . . . 101 ARG HB3 . 11204 1 1156 . 1 1 101 101 ARG HD2 H 1 3.264 0.030 . 1 . . . . 101 ARG HD2 . 11204 1 1157 . 1 1 101 101 ARG HD3 H 1 3.264 0.030 . 1 . . . . 101 ARG HD3 . 11204 1 1158 . 1 1 101 101 ARG HG2 H 1 1.783 0.030 . 2 . . . . 101 ARG HG2 . 11204 1 1159 . 1 1 101 101 ARG HG3 H 1 1.700 0.030 . 2 . . . . 101 ARG HG3 . 11204 1 1160 . 1 1 101 101 ARG C C 13 177.452 0.300 . 1 . . . . 101 ARG C . 11204 1 1161 . 1 1 101 101 ARG CA C 13 60.688 0.300 . 1 . . . . 101 ARG CA . 11204 1 1162 . 1 1 101 101 ARG CB C 13 30.505 0.300 . 1 . . . . 101 ARG CB . 11204 1 1163 . 1 1 101 101 ARG CD C 13 43.611 0.300 . 1 . . . . 101 ARG CD . 11204 1 1164 . 1 1 101 101 ARG CG C 13 27.777 0.300 . 1 . . . . 101 ARG CG . 11204 1 1165 . 1 1 101 101 ARG N N 15 120.443 0.300 . 1 . . . . 101 ARG N . 11204 1 1166 . 1 1 102 102 GLU H H 1 9.356 0.030 . 1 . . . . 102 GLU H . 11204 1 1167 . 1 1 102 102 GLU HA H 1 4.183 0.030 . 1 . . . . 102 GLU HA . 11204 1 1168 . 1 1 102 102 GLU HB2 H 1 1.968 0.030 . 1 . . . . 102 GLU HB2 . 11204 1 1169 . 1 1 102 102 GLU HB3 H 1 1.968 0.030 . 1 . . . . 102 GLU HB3 . 11204 1 1170 . 1 1 102 102 GLU HG2 H 1 2.231 0.030 . 2 . . . . 102 GLU HG2 . 11204 1 1171 . 1 1 102 102 GLU HG3 H 1 2.036 0.030 . 2 . . . . 102 GLU HG3 . 11204 1 1172 . 1 1 102 102 GLU C C 13 177.040 0.300 . 1 . . . . 102 GLU C . 11204 1 1173 . 1 1 102 102 GLU CA C 13 57.981 0.300 . 1 . . . . 102 GLU CA . 11204 1 1174 . 1 1 102 102 GLU CB C 13 28.319 0.300 . 1 . . . . 102 GLU CB . 11204 1 1175 . 1 1 102 102 GLU CG C 13 35.964 0.300 . 1 . . . . 102 GLU CG . 11204 1 1176 . 1 1 102 102 GLU N N 15 117.095 0.300 . 1 . . . . 102 GLU N . 11204 1 1177 . 1 1 103 103 LEU H H 1 7.323 0.030 . 1 . . . . 103 LEU H . 11204 1 1178 . 1 1 103 103 LEU HA H 1 3.764 0.030 . 1 . . . . 103 LEU HA . 11204 1 1179 . 1 1 103 103 LEU HB2 H 1 0.953 0.030 . 2 . . . . 103 LEU HB2 . 11204 1 1180 . 1 1 103 103 LEU HB3 H 1 0.427 0.030 . 2 . . . . 103 LEU HB3 . 11204 1 1181 . 1 1 103 103 LEU HD11 H 1 0.090 0.030 . 1 . . . . 103 LEU HD1 . 11204 1 1182 . 1 1 103 103 LEU HD12 H 1 0.090 0.030 . 1 . . . . 103 LEU HD1 . 11204 1 1183 . 1 1 103 103 LEU HD13 H 1 0.090 0.030 . 1 . . . . 103 LEU HD1 . 11204 1 1184 . 1 1 103 103 LEU HD21 H 1 0.474 0.030 . 1 . . . . 103 LEU HD2 . 11204 1 1185 . 1 1 103 103 LEU HD22 H 1 0.474 0.030 . 1 . . . . 103 LEU HD2 . 11204 1 1186 . 1 1 103 103 LEU HD23 H 1 0.474 0.030 . 1 . . . . 103 LEU HD2 . 11204 1 1187 . 1 1 103 103 LEU HG H 1 1.004 0.030 . 1 . . . . 103 LEU HG . 11204 1 1188 . 1 1 103 103 LEU C C 13 177.255 0.300 . 1 . . . . 103 LEU C . 11204 1 1189 . 1 1 103 103 LEU CA C 13 55.481 0.300 . 1 . . . . 103 LEU CA . 11204 1 1190 . 1 1 103 103 LEU CB C 13 40.741 0.300 . 1 . . . . 103 LEU CB . 11204 1 1191 . 1 1 103 103 LEU CD1 C 13 24.492 0.300 . 2 . . . . 103 LEU CD1 . 11204 1 1192 . 1 1 103 103 LEU CD2 C 13 22.023 0.300 . 2 . . . . 103 LEU CD2 . 11204 1 1193 . 1 1 103 103 LEU CG C 13 26.512 0.300 . 1 . . . . 103 LEU CG . 11204 1 1194 . 1 1 103 103 LEU N N 15 118.228 0.300 . 1 . . . . 103 LEU N . 11204 1 1195 . 1 1 104 104 PHE H H 1 7.102 0.030 . 1 . . . . 104 PHE H . 11204 1 1196 . 1 1 104 104 PHE HA H 1 4.724 0.030 . 1 . . . . 104 PHE HA . 11204 1 1197 . 1 1 104 104 PHE HB2 H 1 3.421 0.030 . 2 . . . . 104 PHE HB2 . 11204 1 1198 . 1 1 104 104 PHE HB3 H 1 2.459 0.030 . 2 . . . . 104 PHE HB3 . 11204 1 1199 . 1 1 104 104 PHE HD1 H 1 7.126 0.030 . 1 . . . . 104 PHE HD1 . 11204 1 1200 . 1 1 104 104 PHE HD2 H 1 7.126 0.030 . 1 . . . . 104 PHE HD2 . 11204 1 1201 . 1 1 104 104 PHE HE1 H 1 6.979 0.030 . 1 . . . . 104 PHE HE1 . 11204 1 1202 . 1 1 104 104 PHE HE2 H 1 6.979 0.030 . 1 . . . . 104 PHE HE2 . 11204 1 1203 . 1 1 104 104 PHE HZ H 1 6.874 0.030 . 1 . . . . 104 PHE HZ . 11204 1 1204 . 1 1 104 104 PHE C C 13 175.098 0.300 . 1 . . . . 104 PHE C . 11204 1 1205 . 1 1 104 104 PHE CA C 13 57.177 0.300 . 1 . . . . 104 PHE CA . 11204 1 1206 . 1 1 104 104 PHE CB C 13 40.906 0.300 . 1 . . . . 104 PHE CB . 11204 1 1207 . 1 1 104 104 PHE CD1 C 13 132.200 0.300 . 1 . . . . 104 PHE CD1 . 11204 1 1208 . 1 1 104 104 PHE CD2 C 13 132.200 0.300 . 1 . . . . 104 PHE CD2 . 11204 1 1209 . 1 1 104 104 PHE CE1 C 13 130.800 0.300 . 1 . . . . 104 PHE CE1 . 11204 1 1210 . 1 1 104 104 PHE CE2 C 13 130.800 0.300 . 1 . . . . 104 PHE CE2 . 11204 1 1211 . 1 1 104 104 PHE CZ C 13 128.433 0.300 . 1 . . . . 104 PHE CZ . 11204 1 1212 . 1 1 104 104 PHE N N 15 114.910 0.300 . 1 . . . . 104 PHE N . 11204 1 1213 . 1 1 105 105 MET H H 1 7.798 0.030 . 1 . . . . 105 MET H . 11204 1 1214 . 1 1 105 105 MET HA H 1 4.624 0.030 . 1 . . . . 105 MET HA . 11204 1 1215 . 1 1 105 105 MET HB2 H 1 2.141 0.030 . 2 . . . . 105 MET HB2 . 11204 1 1216 . 1 1 105 105 MET HB3 H 1 1.972 0.030 . 2 . . . . 105 MET HB3 . 11204 1 1217 . 1 1 105 105 MET HE1 H 1 2.075 0.030 . 1 . . . . 105 MET HE . 11204 1 1218 . 1 1 105 105 MET HE2 H 1 2.075 0.030 . 1 . . . . 105 MET HE . 11204 1 1219 . 1 1 105 105 MET HE3 H 1 2.075 0.030 . 1 . . . . 105 MET HE . 11204 1 1220 . 1 1 105 105 MET HG2 H 1 2.583 0.030 . 2 . . . . 105 MET HG2 . 11204 1 1221 . 1 1 105 105 MET HG3 H 1 2.553 0.030 . 2 . . . . 105 MET HG3 . 11204 1 1222 . 1 1 105 105 MET C C 13 176.118 0.300 . 1 . . . . 105 MET C . 11204 1 1223 . 1 1 105 105 MET CA C 13 55.439 0.300 . 1 . . . . 105 MET CA . 11204 1 1224 . 1 1 105 105 MET CB C 13 33.160 0.300 . 1 . . . . 105 MET CB . 11204 1 1225 . 1 1 105 105 MET CE C 13 17.110 0.300 . 1 . . . . 105 MET CE . 11204 1 1226 . 1 1 105 105 MET CG C 13 32.008 0.300 . 1 . . . . 105 MET CG . 11204 1 1227 . 1 1 105 105 MET N N 15 119.723 0.300 . 1 . . . . 105 MET N . 11204 1 1228 . 1 1 106 106 THR H H 1 8.192 0.030 . 1 . . . . 106 THR H . 11204 1 1229 . 1 1 106 106 THR HA H 1 4.357 0.030 . 1 . . . . 106 THR HA . 11204 1 1230 . 1 1 106 106 THR HB H 1 4.228 0.030 . 1 . . . . 106 THR HB . 11204 1 1231 . 1 1 106 106 THR HG21 H 1 1.177 0.030 . 1 . . . . 106 THR HG2 . 11204 1 1232 . 1 1 106 106 THR HG22 H 1 1.177 0.030 . 1 . . . . 106 THR HG2 . 11204 1 1233 . 1 1 106 106 THR HG23 H 1 1.177 0.030 . 1 . . . . 106 THR HG2 . 11204 1 1234 . 1 1 106 106 THR C C 13 174.250 0.300 . 1 . . . . 106 THR C . 11204 1 1235 . 1 1 106 106 THR CA C 13 61.886 0.300 . 1 . . . . 106 THR CA . 11204 1 1236 . 1 1 106 106 THR CB C 13 69.922 0.300 . 1 . . . . 106 THR CB . 11204 1 1237 . 1 1 106 106 THR CG2 C 13 21.532 0.300 . 1 . . . . 106 THR CG2 . 11204 1 1238 . 1 1 106 106 THR N N 15 114.763 0.300 . 1 . . . . 106 THR N . 11204 1 1239 . 1 1 107 107 ASP H H 1 8.427 0.030 . 1 . . . . 107 ASP H . 11204 1 1240 . 1 1 107 107 ASP HA H 1 4.602 0.030 . 1 . . . . 107 ASP HA . 11204 1 1241 . 1 1 107 107 ASP HB2 H 1 2.715 0.030 . 2 . . . . 107 ASP HB2 . 11204 1 1242 . 1 1 107 107 ASP HB3 H 1 2.667 0.030 . 2 . . . . 107 ASP HB3 . 11204 1 1243 . 1 1 107 107 ASP C C 13 176.273 0.300 . 1 . . . . 107 ASP C . 11204 1 1244 . 1 1 107 107 ASP CA C 13 54.444 0.300 . 1 . . . . 107 ASP CA . 11204 1 1245 . 1 1 107 107 ASP CB C 13 41.088 0.300 . 1 . . . . 107 ASP CB . 11204 1 1246 . 1 1 107 107 ASP N N 15 122.608 0.300 . 1 . . . . 107 ASP N . 11204 1 1247 . 1 1 108 108 ARG H H 1 8.332 0.030 . 1 . . . . 108 ARG H . 11204 1 1248 . 1 1 108 108 ARG HA H 1 4.408 0.030 . 1 . . . . 108 ARG HA . 11204 1 1249 . 1 1 108 108 ARG HB2 H 1 1.923 0.030 . 2 . . . . 108 ARG HB2 . 11204 1 1250 . 1 1 108 108 ARG HB3 H 1 1.747 0.030 . 2 . . . . 108 ARG HB3 . 11204 1 1251 . 1 1 108 108 ARG HD2 H 1 3.195 0.030 . 1 . . . . 108 ARG HD2 . 11204 1 1252 . 1 1 108 108 ARG HD3 H 1 3.195 0.030 . 1 . . . . 108 ARG HD3 . 11204 1 1253 . 1 1 108 108 ARG HG2 H 1 1.644 0.030 . 2 . . . . 108 ARG HG2 . 11204 1 1254 . 1 1 108 108 ARG HG3 H 1 1.608 0.030 . 2 . . . . 108 ARG HG3 . 11204 1 1255 . 1 1 108 108 ARG C C 13 176.314 0.300 . 1 . . . . 108 ARG C . 11204 1 1256 . 1 1 108 108 ARG CA C 13 55.943 0.300 . 1 . . . . 108 ARG CA . 11204 1 1257 . 1 1 108 108 ARG CB C 13 30.591 0.300 . 1 . . . . 108 ARG CB . 11204 1 1258 . 1 1 108 108 ARG CD C 13 43.365 0.300 . 1 . . . . 108 ARG CD . 11204 1 1259 . 1 1 108 108 ARG CG C 13 27.058 0.300 . 1 . . . . 108 ARG CG . 11204 1 1260 . 1 1 108 108 ARG N N 15 121.757 0.300 . 1 . . . . 108 ARG N . 11204 1 1261 . 1 1 109 109 SER H H 1 8.361 0.030 . 1 . . . . 109 SER H . 11204 1 1262 . 1 1 109 109 SER HA H 1 4.461 0.030 . 1 . . . . 109 SER HA . 11204 1 1263 . 1 1 109 109 SER HB2 H 1 3.883 0.030 . 1 . . . . 109 SER HB2 . 11204 1 1264 . 1 1 109 109 SER HB3 H 1 3.883 0.030 . 1 . . . . 109 SER HB3 . 11204 1 1265 . 1 1 109 109 SER C C 13 174.596 0.300 . 1 . . . . 109 SER C . 11204 1 1266 . 1 1 109 109 SER CA C 13 58.712 0.300 . 1 . . . . 109 SER CA . 11204 1 1267 . 1 1 109 109 SER CB C 13 64.035 0.300 . 1 . . . . 109 SER CB . 11204 1 1268 . 1 1 109 109 SER N N 15 116.854 0.300 . 1 . . . . 109 SER N . 11204 1 1269 . 1 1 110 110 GLY H H 1 8.234 0.030 . 1 . . . . 110 GLY H . 11204 1 1270 . 1 1 110 110 GLY HA2 H 1 4.154 0.030 . 2 . . . . 110 GLY HA2 . 11204 1 1271 . 1 1 110 110 GLY HA3 H 1 4.074 0.030 . 2 . . . . 110 GLY HA3 . 11204 1 1272 . 1 1 110 110 GLY C C 13 171.824 0.300 . 1 . . . . 110 GLY C . 11204 1 1273 . 1 1 110 110 GLY CA C 13 44.700 0.300 . 1 . . . . 110 GLY CA . 11204 1 1274 . 1 1 110 110 GLY N N 15 110.638 0.300 . 1 . . . . 110 GLY N . 11204 1 1275 . 1 1 111 111 PRO HA H 1 4.446 0.030 . 1 . . . . 111 PRO HA . 11204 1 1276 . 1 1 111 111 PRO HB2 H 1 2.285 0.030 . 2 . . . . 111 PRO HB2 . 11204 1 1277 . 1 1 111 111 PRO HB3 H 1 1.968 0.030 . 2 . . . . 111 PRO HB3 . 11204 1 1278 . 1 1 111 111 PRO HD2 H 1 3.614 0.030 . 1 . . . . 111 PRO HD2 . 11204 1 1279 . 1 1 111 111 PRO HD3 H 1 3.614 0.030 . 1 . . . . 111 PRO HD3 . 11204 1 1280 . 1 1 111 111 PRO HG2 H 1 2.009 0.030 . 1 . . . . 111 PRO HG2 . 11204 1 1281 . 1 1 111 111 PRO HG3 H 1 2.009 0.030 . 1 . . . . 111 PRO HG3 . 11204 1 1282 . 1 1 111 111 PRO C C 13 177.414 0.300 . 1 . . . . 111 PRO C . 11204 1 1283 . 1 1 111 111 PRO CA C 13 63.250 0.300 . 1 . . . . 111 PRO CA . 11204 1 1284 . 1 1 111 111 PRO CB C 13 32.215 0.300 . 1 . . . . 111 PRO CB . 11204 1 1285 . 1 1 111 111 PRO CD C 13 49.841 0.300 . 1 . . . . 111 PRO CD . 11204 1 1286 . 1 1 111 111 PRO CG C 13 27.218 0.300 . 1 . . . . 111 PRO CG . 11204 1 1287 . 1 1 112 112 SER H H 1 8.515 0.030 . 1 . . . . 112 SER H . 11204 1 1288 . 1 1 112 112 SER HA H 1 4.499 0.030 . 1 . . . . 112 SER HA . 11204 1 1289 . 1 1 112 112 SER HB2 H 1 3.920 0.030 . 1 . . . . 112 SER HB2 . 11204 1 1290 . 1 1 112 112 SER HB3 H 1 3.920 0.030 . 1 . . . . 112 SER HB3 . 11204 1 1291 . 1 1 112 112 SER C C 13 174.673 0.300 . 1 . . . . 112 SER C . 11204 1 1292 . 1 1 112 112 SER CA C 13 58.398 0.300 . 1 . . . . 112 SER CA . 11204 1 1293 . 1 1 112 112 SER CB C 13 63.826 0.300 . 1 . . . . 112 SER CB . 11204 1 1294 . 1 1 112 112 SER N N 15 116.383 0.300 . 1 . . . . 112 SER N . 11204 1 1295 . 1 1 113 113 SER H H 1 8.319 0.030 . 1 . . . . 113 SER H . 11204 1 1296 . 1 1 113 113 SER HA H 1 4.482 0.030 . 1 . . . . 113 SER HA . 11204 1 1297 . 1 1 113 113 SER HB2 H 1 3.912 0.030 . 1 . . . . 113 SER HB2 . 11204 1 1298 . 1 1 113 113 SER HB3 H 1 3.912 0.030 . 1 . . . . 113 SER HB3 . 11204 1 1299 . 1 1 113 113 SER C C 13 173.923 0.300 . 1 . . . . 113 SER C . 11204 1 1300 . 1 1 113 113 SER CA C 13 58.539 0.300 . 1 . . . . 113 SER CA . 11204 1 1301 . 1 1 113 113 SER CB C 13 64.093 0.300 . 1 . . . . 113 SER CB . 11204 1 1302 . 1 1 113 113 SER N N 15 117.795 0.300 . 1 . . . . 113 SER N . 11204 1 1303 . 1 1 114 114 GLY H H 1 8.040 0.030 . 1 . . . . 114 GLY H . 11204 1 1304 . 1 1 114 114 GLY HA2 H 1 3.770 0.030 . 1 . . . . 114 GLY HA2 . 11204 1 1305 . 1 1 114 114 GLY HA3 H 1 3.770 0.030 . 1 . . . . 114 GLY HA3 . 11204 1 1306 . 1 1 114 114 GLY C C 13 178.969 0.300 . 1 . . . . 114 GLY C . 11204 1 1307 . 1 1 114 114 GLY CA C 13 46.242 0.300 . 1 . . . . 114 GLY CA . 11204 1 1308 . 1 1 114 114 GLY N N 15 116.841 0.300 . 1 . . . . 114 GLY N . 11204 1 stop_ save_