data_11221 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11221 _Entry.Title ; Solution structure of the Ig-like domain (615-713) from human Obscurin-like protein 1 ; _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 . . . 11221 2 T. Suetake . . . 11221 3 F. Hayashi . . . 11221 4 S. Yokoyama . . . 11221 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)' . 11221 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11221 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 452 11221 '15N chemical shifts' 112 11221 '1H chemical shifts' 721 11221 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 . 11221 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E6Q 'BMRB Entry Tracking System' 11221 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11221 _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 Ig-like domain (615-713) from human Obscurin-like protein 1 ; _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 . . . 11221 1 2 T. Suetake . . . 11221 1 3 F. Hayashi . . . 11221 1 4 S. Yokoyama . . . 11221 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11221 _Assembly.ID 1 _Assembly.Name 'Ig-like domain of Obscurin-like protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Ig-like domain of Obscurin-like protein 1' 1 $entity_1 A . yes native no no . . . 11221 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 2e6q . . . . . . 11221 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11221 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ig-like 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 ; GSSGSSGTARLVAGLEDVQV YDGEDAVFSLDLSTIIQGTW FLNGEELKSNEPEGQVEPGA LRYRIEQKGLQHRLILHAVK HQDSGALVGFSCPGVQDSAA LTIQESSGPSSG ; _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 112 _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 2014-05-12 loop_ _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 no PDB 2E6Q . "Solution Structure Of The Ig-Like Domain (615-713) From Human Obscurin-Like Protein 1" . . . . . 100.00 112 100.00 100.00 2.07e-73 . . . . 11221 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ig-like domain' . 11221 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 . 11221 1 2 . SER . 11221 1 3 . SER . 11221 1 4 . GLY . 11221 1 5 . SER . 11221 1 6 . SER . 11221 1 7 . GLY . 11221 1 8 . THR . 11221 1 9 . ALA . 11221 1 10 . ARG . 11221 1 11 . LEU . 11221 1 12 . VAL . 11221 1 13 . ALA . 11221 1 14 . GLY . 11221 1 15 . LEU . 11221 1 16 . GLU . 11221 1 17 . ASP . 11221 1 18 . VAL . 11221 1 19 . GLN . 11221 1 20 . VAL . 11221 1 21 . TYR . 11221 1 22 . ASP . 11221 1 23 . GLY . 11221 1 24 . GLU . 11221 1 25 . ASP . 11221 1 26 . ALA . 11221 1 27 . VAL . 11221 1 28 . PHE . 11221 1 29 . SER . 11221 1 30 . LEU . 11221 1 31 . ASP . 11221 1 32 . LEU . 11221 1 33 . SER . 11221 1 34 . THR . 11221 1 35 . ILE . 11221 1 36 . ILE . 11221 1 37 . GLN . 11221 1 38 . GLY . 11221 1 39 . THR . 11221 1 40 . TRP . 11221 1 41 . PHE . 11221 1 42 . LEU . 11221 1 43 . ASN . 11221 1 44 . GLY . 11221 1 45 . GLU . 11221 1 46 . GLU . 11221 1 47 . LEU . 11221 1 48 . LYS . 11221 1 49 . SER . 11221 1 50 . ASN . 11221 1 51 . GLU . 11221 1 52 . PRO . 11221 1 53 . GLU . 11221 1 54 . GLY . 11221 1 55 . GLN . 11221 1 56 . VAL . 11221 1 57 . GLU . 11221 1 58 . PRO . 11221 1 59 . GLY . 11221 1 60 . ALA . 11221 1 61 . LEU . 11221 1 62 . ARG . 11221 1 63 . TYR . 11221 1 64 . ARG . 11221 1 65 . ILE . 11221 1 66 . GLU . 11221 1 67 . GLN . 11221 1 68 . LYS . 11221 1 69 . GLY . 11221 1 70 . LEU . 11221 1 71 . GLN . 11221 1 72 . HIS . 11221 1 73 . ARG . 11221 1 74 . LEU . 11221 1 75 . ILE . 11221 1 76 . LEU . 11221 1 77 . HIS . 11221 1 78 . ALA . 11221 1 79 . VAL . 11221 1 80 . LYS . 11221 1 81 . HIS . 11221 1 82 . GLN . 11221 1 83 . ASP . 11221 1 84 . SER . 11221 1 85 . GLY . 11221 1 86 . ALA . 11221 1 87 . LEU . 11221 1 88 . VAL . 11221 1 89 . GLY . 11221 1 90 . PHE . 11221 1 91 . SER . 11221 1 92 . CYS . 11221 1 93 . PRO . 11221 1 94 . GLY . 11221 1 95 . VAL . 11221 1 96 . GLN . 11221 1 97 . ASP . 11221 1 98 . SER . 11221 1 99 . ALA . 11221 1 100 . ALA . 11221 1 101 . LEU . 11221 1 102 . THR . 11221 1 103 . ILE . 11221 1 104 . GLN . 11221 1 105 . GLU . 11221 1 106 . SER . 11221 1 107 . SER . 11221 1 108 . GLY . 11221 1 109 . PRO . 11221 1 110 . SER . 11221 1 111 . SER . 11221 1 112 . GLY . 11221 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 11221 1 . SER 2 2 11221 1 . SER 3 3 11221 1 . GLY 4 4 11221 1 . SER 5 5 11221 1 . SER 6 6 11221 1 . GLY 7 7 11221 1 . THR 8 8 11221 1 . ALA 9 9 11221 1 . ARG 10 10 11221 1 . LEU 11 11 11221 1 . VAL 12 12 11221 1 . ALA 13 13 11221 1 . GLY 14 14 11221 1 . LEU 15 15 11221 1 . GLU 16 16 11221 1 . ASP 17 17 11221 1 . VAL 18 18 11221 1 . GLN 19 19 11221 1 . VAL 20 20 11221 1 . TYR 21 21 11221 1 . ASP 22 22 11221 1 . GLY 23 23 11221 1 . GLU 24 24 11221 1 . ASP 25 25 11221 1 . ALA 26 26 11221 1 . VAL 27 27 11221 1 . PHE 28 28 11221 1 . SER 29 29 11221 1 . LEU 30 30 11221 1 . ASP 31 31 11221 1 . LEU 32 32 11221 1 . SER 33 33 11221 1 . THR 34 34 11221 1 . ILE 35 35 11221 1 . ILE 36 36 11221 1 . GLN 37 37 11221 1 . GLY 38 38 11221 1 . THR 39 39 11221 1 . TRP 40 40 11221 1 . PHE 41 41 11221 1 . LEU 42 42 11221 1 . ASN 43 43 11221 1 . GLY 44 44 11221 1 . GLU 45 45 11221 1 . GLU 46 46 11221 1 . LEU 47 47 11221 1 . LYS 48 48 11221 1 . SER 49 49 11221 1 . ASN 50 50 11221 1 . GLU 51 51 11221 1 . PRO 52 52 11221 1 . GLU 53 53 11221 1 . GLY 54 54 11221 1 . GLN 55 55 11221 1 . VAL 56 56 11221 1 . GLU 57 57 11221 1 . PRO 58 58 11221 1 . GLY 59 59 11221 1 . ALA 60 60 11221 1 . LEU 61 61 11221 1 . ARG 62 62 11221 1 . TYR 63 63 11221 1 . ARG 64 64 11221 1 . ILE 65 65 11221 1 . GLU 66 66 11221 1 . GLN 67 67 11221 1 . LYS 68 68 11221 1 . GLY 69 69 11221 1 . LEU 70 70 11221 1 . GLN 71 71 11221 1 . HIS 72 72 11221 1 . ARG 73 73 11221 1 . LEU 74 74 11221 1 . ILE 75 75 11221 1 . LEU 76 76 11221 1 . HIS 77 77 11221 1 . ALA 78 78 11221 1 . VAL 79 79 11221 1 . LYS 80 80 11221 1 . HIS 81 81 11221 1 . GLN 82 82 11221 1 . ASP 83 83 11221 1 . SER 84 84 11221 1 . GLY 85 85 11221 1 . ALA 86 86 11221 1 . LEU 87 87 11221 1 . VAL 88 88 11221 1 . GLY 89 89 11221 1 . PHE 90 90 11221 1 . SER 91 91 11221 1 . CYS 92 92 11221 1 . PRO 93 93 11221 1 . GLY 94 94 11221 1 . VAL 95 95 11221 1 . GLN 96 96 11221 1 . ASP 97 97 11221 1 . SER 98 98 11221 1 . ALA 99 99 11221 1 . ALA 100 100 11221 1 . LEU 101 101 11221 1 . THR 102 102 11221 1 . ILE 103 103 11221 1 . GLN 104 104 11221 1 . GLU 105 105 11221 1 . SER 106 106 11221 1 . SER 107 107 11221 1 . GLY 108 108 11221 1 . PRO 109 109 11221 1 . SER 110 110 11221 1 . SER 111 111 11221 1 . GLY 112 112 11221 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 11221 _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 . . . . . . . . . . . . . . . . . . . . . 11221 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 11221 _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 . . P050725-17 . . . . . . 11221 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11221 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.10mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% {H2O;} 10% D2O ; _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 'Ig-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.10 . . mM . . . . 11221 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11221 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11221 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11221 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11221 1 6 H2O . . . . . . solvent 90 . . % . . . . 11221 1 7 D2O . . . . . . solvent 10 . . % . . . . 11221 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 11221 _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 11221 1 pH 7.0 0.05 pH 11221 1 pressure 1 0.001 atm 11221 1 temperature 298 0.1 K 11221 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11221 _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 . . 11221 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11221 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11221 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11221 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11221 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11221 _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.' . . 11221 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11221 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11221 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9816 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11221 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11221 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11221 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11221 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11221 5 'structure solution' 11221 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 11221 _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 11221 _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 . . . 11221 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 11221 _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 . . . . . . . . . . . . . . . . 11221 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11221 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 11221 _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 . . . . . . . . . 11221 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11221 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11221 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 11221 _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 11221 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11221 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 . . 11221 1 2 $NMRPipe . . 11221 1 3 $NMRView . . 11221 1 4 $Kujira . . 11221 1 5 $CYANA . . 11221 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 7 7 GLY HA2 H 1 4.012 0.030 . 1 . . . . 7 GLY HA2 . 11221 1 2 . 1 1 7 7 GLY HA3 H 1 4.012 0.030 . 1 . . . . 7 GLY HA3 . 11221 1 3 . 1 1 7 7 GLY C C 13 173.604 0.300 . 1 . . . . 7 GLY C . 11221 1 4 . 1 1 7 7 GLY CA C 13 45.295 0.300 . 1 . . . . 7 GLY CA . 11221 1 5 . 1 1 8 8 THR H H 1 7.761 0.030 . 1 . . . . 8 THR H . 11221 1 6 . 1 1 8 8 THR HA H 1 4.282 0.030 . 1 . . . . 8 THR HA . 11221 1 7 . 1 1 8 8 THR HB H 1 4.001 0.030 . 1 . . . . 8 THR HB . 11221 1 8 . 1 1 8 8 THR HG21 H 1 1.096 0.030 . 1 . . . . 8 THR HG2 . 11221 1 9 . 1 1 8 8 THR HG22 H 1 1.096 0.030 . 1 . . . . 8 THR HG2 . 11221 1 10 . 1 1 8 8 THR HG23 H 1 1.096 0.030 . 1 . . . . 8 THR HG2 . 11221 1 11 . 1 1 8 8 THR C C 13 173.175 0.300 . 1 . . . . 8 THR C . 11221 1 12 . 1 1 8 8 THR CA C 13 60.964 0.300 . 1 . . . . 8 THR CA . 11221 1 13 . 1 1 8 8 THR CB C 13 70.819 0.300 . 1 . . . . 8 THR CB . 11221 1 14 . 1 1 8 8 THR CG2 C 13 21.447 0.300 . 1 . . . . 8 THR CG2 . 11221 1 15 . 1 1 8 8 THR N N 15 111.736 0.300 . 1 . . . . 8 THR N . 11221 1 16 . 1 1 9 9 ALA H H 1 8.324 0.030 . 1 . . . . 9 ALA H . 11221 1 17 . 1 1 9 9 ALA HA H 1 4.341 0.030 . 1 . . . . 9 ALA HA . 11221 1 18 . 1 1 9 9 ALA HB1 H 1 1.312 0.030 . 1 . . . . 9 ALA HB . 11221 1 19 . 1 1 9 9 ALA HB2 H 1 1.312 0.030 . 1 . . . . 9 ALA HB . 11221 1 20 . 1 1 9 9 ALA HB3 H 1 1.312 0.030 . 1 . . . . 9 ALA HB . 11221 1 21 . 1 1 9 9 ALA C C 13 174.870 0.300 . 1 . . . . 9 ALA C . 11221 1 22 . 1 1 9 9 ALA CA C 13 51.214 0.300 . 1 . . . . 9 ALA CA . 11221 1 23 . 1 1 9 9 ALA CB C 13 22.716 0.300 . 1 . . . . 9 ALA CB . 11221 1 24 . 1 1 9 9 ALA N N 15 124.617 0.300 . 1 . . . . 9 ALA N . 11221 1 25 . 1 1 10 10 ARG H H 1 8.220 0.030 . 1 . . . . 10 ARG H . 11221 1 26 . 1 1 10 10 ARG HA H 1 4.508 0.030 . 1 . . . . 10 ARG HA . 11221 1 27 . 1 1 10 10 ARG HB2 H 1 1.572 0.030 . 2 . . . . 10 ARG HB2 . 11221 1 28 . 1 1 10 10 ARG HB3 H 1 1.724 0.030 . 2 . . . . 10 ARG HB3 . 11221 1 29 . 1 1 10 10 ARG HD2 H 1 3.187 0.030 . 1 . . . . 10 ARG HD2 . 11221 1 30 . 1 1 10 10 ARG HD3 H 1 3.187 0.030 . 1 . . . . 10 ARG HD3 . 11221 1 31 . 1 1 10 10 ARG HG2 H 1 1.527 0.030 . 1 . . . . 10 ARG HG2 . 11221 1 32 . 1 1 10 10 ARG HG3 H 1 1.527 0.030 . 1 . . . . 10 ARG HG3 . 11221 1 33 . 1 1 10 10 ARG C C 13 175.124 0.300 . 1 . . . . 10 ARG C . 11221 1 34 . 1 1 10 10 ARG CA C 13 53.720 0.300 . 1 . . . . 10 ARG CA . 11221 1 35 . 1 1 10 10 ARG CB C 13 33.104 0.300 . 1 . . . . 10 ARG CB . 11221 1 36 . 1 1 10 10 ARG CD C 13 43.197 0.300 . 1 . . . . 10 ARG CD . 11221 1 37 . 1 1 10 10 ARG CG C 13 27.164 0.300 . 1 . . . . 10 ARG CG . 11221 1 38 . 1 1 10 10 ARG N N 15 116.208 0.300 . 1 . . . . 10 ARG N . 11221 1 39 . 1 1 11 11 LEU H H 1 8.623 0.030 . 1 . . . . 11 LEU H . 11221 1 40 . 1 1 11 11 LEU HA H 1 4.226 0.030 . 1 . . . . 11 LEU HA . 11221 1 41 . 1 1 11 11 LEU HB2 H 1 1.765 0.030 . 2 . . . . 11 LEU HB2 . 11221 1 42 . 1 1 11 11 LEU HB3 H 1 1.408 0.030 . 2 . . . . 11 LEU HB3 . 11221 1 43 . 1 1 11 11 LEU HD11 H 1 0.886 0.030 . 1 . . . . 11 LEU HD1 . 11221 1 44 . 1 1 11 11 LEU HD12 H 1 0.886 0.030 . 1 . . . . 11 LEU HD1 . 11221 1 45 . 1 1 11 11 LEU HD13 H 1 0.886 0.030 . 1 . . . . 11 LEU HD1 . 11221 1 46 . 1 1 11 11 LEU HD21 H 1 0.882 0.030 . 1 . . . . 11 LEU HD2 . 11221 1 47 . 1 1 11 11 LEU HD22 H 1 0.882 0.030 . 1 . . . . 11 LEU HD2 . 11221 1 48 . 1 1 11 11 LEU HD23 H 1 0.882 0.030 . 1 . . . . 11 LEU HD2 . 11221 1 49 . 1 1 11 11 LEU HG H 1 1.309 0.030 . 1 . . . . 11 LEU HG . 11221 1 50 . 1 1 11 11 LEU C C 13 176.194 0.300 . 1 . . . . 11 LEU C . 11221 1 51 . 1 1 11 11 LEU CA C 13 55.354 0.300 . 1 . . . . 11 LEU CA . 11221 1 52 . 1 1 11 11 LEU CB C 13 43.380 0.300 . 1 . . . . 11 LEU CB . 11221 1 53 . 1 1 11 11 LEU CD1 C 13 25.479 0.300 . 2 . . . . 11 LEU CD1 . 11221 1 54 . 1 1 11 11 LEU CD2 C 13 24.807 0.300 . 2 . . . . 11 LEU CD2 . 11221 1 55 . 1 1 11 11 LEU CG C 13 26.742 0.300 . 1 . . . . 11 LEU CG . 11221 1 56 . 1 1 11 11 LEU N N 15 123.658 0.300 . 1 . . . . 11 LEU N . 11221 1 57 . 1 1 12 12 VAL H H 1 8.576 0.030 . 1 . . . . 12 VAL H . 11221 1 58 . 1 1 12 12 VAL HA H 1 3.957 0.030 . 1 . . . . 12 VAL HA . 11221 1 59 . 1 1 12 12 VAL HB H 1 1.546 0.030 . 1 . . . . 12 VAL HB . 11221 1 60 . 1 1 12 12 VAL HG11 H 1 0.756 0.030 . 1 . . . . 12 VAL HG1 . 11221 1 61 . 1 1 12 12 VAL HG12 H 1 0.756 0.030 . 1 . . . . 12 VAL HG1 . 11221 1 62 . 1 1 12 12 VAL HG13 H 1 0.756 0.030 . 1 . . . . 12 VAL HG1 . 11221 1 63 . 1 1 12 12 VAL HG21 H 1 0.899 0.030 . 1 . . . . 12 VAL HG2 . 11221 1 64 . 1 1 12 12 VAL HG22 H 1 0.899 0.030 . 1 . . . . 12 VAL HG2 . 11221 1 65 . 1 1 12 12 VAL HG23 H 1 0.899 0.030 . 1 . . . . 12 VAL HG2 . 11221 1 66 . 1 1 12 12 VAL C C 13 176.140 0.300 . 1 . . . . 12 VAL C . 11221 1 67 . 1 1 12 12 VAL CA C 13 64.525 0.300 . 1 . . . . 12 VAL CA . 11221 1 68 . 1 1 12 12 VAL CB C 13 32.570 0.300 . 1 . . . . 12 VAL CB . 11221 1 69 . 1 1 12 12 VAL CG1 C 13 21.108 0.300 . 2 . . . . 12 VAL CG1 . 11221 1 70 . 1 1 12 12 VAL CG2 C 13 20.445 0.300 . 2 . . . . 12 VAL CG2 . 11221 1 71 . 1 1 12 12 VAL N N 15 129.427 0.300 . 1 . . . . 12 VAL N . 11221 1 72 . 1 1 13 13 ALA H H 1 7.941 0.030 . 1 . . . . 13 ALA H . 11221 1 73 . 1 1 13 13 ALA HA H 1 4.627 0.030 . 1 . . . . 13 ALA HA . 11221 1 74 . 1 1 13 13 ALA HB1 H 1 1.447 0.030 . 1 . . . . 13 ALA HB . 11221 1 75 . 1 1 13 13 ALA HB2 H 1 1.447 0.030 . 1 . . . . 13 ALA HB . 11221 1 76 . 1 1 13 13 ALA HB3 H 1 1.447 0.030 . 1 . . . . 13 ALA HB . 11221 1 77 . 1 1 13 13 ALA C C 13 175.952 0.300 . 1 . . . . 13 ALA C . 11221 1 78 . 1 1 13 13 ALA CA C 13 52.320 0.300 . 1 . . . . 13 ALA CA . 11221 1 79 . 1 1 13 13 ALA CB C 13 20.999 0.300 . 1 . . . . 13 ALA CB . 11221 1 80 . 1 1 13 13 ALA N N 15 123.252 0.300 . 1 . . . . 13 ALA N . 11221 1 81 . 1 1 14 14 GLY H H 1 8.483 0.030 . 1 . . . . 14 GLY H . 11221 1 82 . 1 1 14 14 GLY HA2 H 1 3.923 0.030 . 2 . . . . 14 GLY HA2 . 11221 1 83 . 1 1 14 14 GLY HA3 H 1 4.393 0.030 . 2 . . . . 14 GLY HA3 . 11221 1 84 . 1 1 14 14 GLY C C 13 173.823 0.300 . 1 . . . . 14 GLY C . 11221 1 85 . 1 1 14 14 GLY CA C 13 44.695 0.300 . 1 . . . . 14 GLY CA . 11221 1 86 . 1 1 14 14 GLY N N 15 108.929 0.300 . 1 . . . . 14 GLY N . 11221 1 87 . 1 1 15 15 LEU H H 1 9.831 0.030 . 1 . . . . 15 LEU H . 11221 1 88 . 1 1 15 15 LEU HA H 1 4.446 0.030 . 1 . . . . 15 LEU HA . 11221 1 89 . 1 1 15 15 LEU HB2 H 1 1.634 0.030 . 2 . . . . 15 LEU HB2 . 11221 1 90 . 1 1 15 15 LEU HB3 H 1 1.348 0.030 . 2 . . . . 15 LEU HB3 . 11221 1 91 . 1 1 15 15 LEU HD11 H 1 1.213 0.030 . 1 . . . . 15 LEU HD1 . 11221 1 92 . 1 1 15 15 LEU HD12 H 1 1.213 0.030 . 1 . . . . 15 LEU HD1 . 11221 1 93 . 1 1 15 15 LEU HD13 H 1 1.213 0.030 . 1 . . . . 15 LEU HD1 . 11221 1 94 . 1 1 15 15 LEU HD21 H 1 0.672 0.030 . 1 . . . . 15 LEU HD2 . 11221 1 95 . 1 1 15 15 LEU HD22 H 1 0.672 0.030 . 1 . . . . 15 LEU HD2 . 11221 1 96 . 1 1 15 15 LEU HD23 H 1 0.672 0.030 . 1 . . . . 15 LEU HD2 . 11221 1 97 . 1 1 15 15 LEU HG H 1 1.829 0.030 . 1 . . . . 15 LEU HG . 11221 1 98 . 1 1 15 15 LEU C C 13 177.843 0.300 . 1 . . . . 15 LEU C . 11221 1 99 . 1 1 15 15 LEU CA C 13 55.505 0.300 . 1 . . . . 15 LEU CA . 11221 1 100 . 1 1 15 15 LEU CB C 13 44.524 0.300 . 1 . . . . 15 LEU CB . 11221 1 101 . 1 1 15 15 LEU CD1 C 13 25.050 0.300 . 2 . . . . 15 LEU CD1 . 11221 1 102 . 1 1 15 15 LEU CD2 C 13 25.005 0.300 . 2 . . . . 15 LEU CD2 . 11221 1 103 . 1 1 15 15 LEU CG C 13 26.669 0.300 . 1 . . . . 15 LEU CG . 11221 1 104 . 1 1 15 15 LEU N N 15 120.332 0.300 . 1 . . . . 15 LEU N . 11221 1 105 . 1 1 16 16 GLU H H 1 8.510 0.030 . 1 . . . . 16 GLU H . 11221 1 106 . 1 1 16 16 GLU HA H 1 4.719 0.030 . 1 . . . . 16 GLU HA . 11221 1 107 . 1 1 16 16 GLU HB2 H 1 1.835 0.030 . 2 . . . . 16 GLU HB2 . 11221 1 108 . 1 1 16 16 GLU HB3 H 1 2.149 0.030 . 2 . . . . 16 GLU HB3 . 11221 1 109 . 1 1 16 16 GLU HG2 H 1 2.332 0.030 . 2 . . . . 16 GLU HG2 . 11221 1 110 . 1 1 16 16 GLU HG3 H 1 2.413 0.030 . 2 . . . . 16 GLU HG3 . 11221 1 111 . 1 1 16 16 GLU C C 13 175.275 0.300 . 1 . . . . 16 GLU C . 11221 1 112 . 1 1 16 16 GLU CA C 13 54.268 0.300 . 1 . . . . 16 GLU CA . 11221 1 113 . 1 1 16 16 GLU CB C 13 32.745 0.300 . 1 . . . . 16 GLU CB . 11221 1 114 . 1 1 16 16 GLU CG C 13 36.216 0.300 . 1 . . . . 16 GLU CG . 11221 1 115 . 1 1 16 16 GLU N N 15 120.700 0.300 . 1 . . . . 16 GLU N . 11221 1 116 . 1 1 17 17 ASP H H 1 8.429 0.030 . 1 . . . . 17 ASP H . 11221 1 117 . 1 1 17 17 ASP HA H 1 4.995 0.030 . 1 . . . . 17 ASP HA . 11221 1 118 . 1 1 17 17 ASP HB2 H 1 2.890 0.030 . 2 . . . . 17 ASP HB2 . 11221 1 119 . 1 1 17 17 ASP HB3 H 1 2.560 0.030 . 2 . . . . 17 ASP HB3 . 11221 1 120 . 1 1 17 17 ASP C C 13 176.576 0.300 . 1 . . . . 17 ASP C . 11221 1 121 . 1 1 17 17 ASP CA C 13 55.518 0.300 . 1 . . . . 17 ASP CA . 11221 1 122 . 1 1 17 17 ASP CB C 13 40.826 0.300 . 1 . . . . 17 ASP CB . 11221 1 123 . 1 1 17 17 ASP N N 15 120.525 0.300 . 1 . . . . 17 ASP N . 11221 1 124 . 1 1 18 18 VAL H H 1 8.366 0.030 . 1 . . . . 18 VAL H . 11221 1 125 . 1 1 18 18 VAL HA H 1 4.176 0.030 . 1 . . . . 18 VAL HA . 11221 1 126 . 1 1 18 18 VAL HB H 1 1.512 0.030 . 1 . . . . 18 VAL HB . 11221 1 127 . 1 1 18 18 VAL HG11 H 1 0.644 0.030 . 1 . . . . 18 VAL HG1 . 11221 1 128 . 1 1 18 18 VAL HG12 H 1 0.644 0.030 . 1 . . . . 18 VAL HG1 . 11221 1 129 . 1 1 18 18 VAL HG13 H 1 0.644 0.030 . 1 . . . . 18 VAL HG1 . 11221 1 130 . 1 1 18 18 VAL HG21 H 1 0.300 0.030 . 1 . . . . 18 VAL HG2 . 11221 1 131 . 1 1 18 18 VAL HG22 H 1 0.300 0.030 . 1 . . . . 18 VAL HG2 . 11221 1 132 . 1 1 18 18 VAL HG23 H 1 0.300 0.030 . 1 . . . . 18 VAL HG2 . 11221 1 133 . 1 1 18 18 VAL C C 13 173.906 0.300 . 1 . . . . 18 VAL C . 11221 1 134 . 1 1 18 18 VAL CA C 13 61.682 0.300 . 1 . . . . 18 VAL CA . 11221 1 135 . 1 1 18 18 VAL CB C 13 35.845 0.300 . 1 . . . . 18 VAL CB . 11221 1 136 . 1 1 18 18 VAL CG1 C 13 22.458 0.300 . 2 . . . . 18 VAL CG1 . 11221 1 137 . 1 1 18 18 VAL CG2 C 13 21.404 0.300 . 2 . . . . 18 VAL CG2 . 11221 1 138 . 1 1 18 18 VAL N N 15 122.466 0.300 . 1 . . . . 18 VAL N . 11221 1 139 . 1 1 19 19 GLN H H 1 8.367 0.030 . 1 . . . . 19 GLN H . 11221 1 140 . 1 1 19 19 GLN HA H 1 5.619 0.030 . 1 . . . . 19 GLN HA . 11221 1 141 . 1 1 19 19 GLN HB2 H 1 1.847 0.030 . 1 . . . . 19 GLN HB2 . 11221 1 142 . 1 1 19 19 GLN HB3 H 1 1.847 0.030 . 1 . . . . 19 GLN HB3 . 11221 1 143 . 1 1 19 19 GLN HE21 H 1 7.210 0.030 . 2 . . . . 19 GLN HE21 . 11221 1 144 . 1 1 19 19 GLN HE22 H 1 6.599 0.030 . 2 . . . . 19 GLN HE22 . 11221 1 145 . 1 1 19 19 GLN HG2 H 1 2.022 0.030 . 1 . . . . 19 GLN HG2 . 11221 1 146 . 1 1 19 19 GLN HG3 H 1 2.022 0.030 . 1 . . . . 19 GLN HG3 . 11221 1 147 . 1 1 19 19 GLN C C 13 175.110 0.300 . 1 . . . . 19 GLN C . 11221 1 148 . 1 1 19 19 GLN CA C 13 53.900 0.300 . 1 . . . . 19 GLN CA . 11221 1 149 . 1 1 19 19 GLN CB C 13 30.919 0.300 . 1 . . . . 19 GLN CB . 11221 1 150 . 1 1 19 19 GLN CG C 13 34.025 0.300 . 1 . . . . 19 GLN CG . 11221 1 151 . 1 1 19 19 GLN N N 15 127.380 0.300 . 1 . . . . 19 GLN N . 11221 1 152 . 1 1 19 19 GLN NE2 N 15 110.953 0.300 . 1 . . . . 19 GLN NE2 . 11221 1 153 . 1 1 20 20 VAL H H 1 8.135 0.030 . 1 . . . . 20 VAL H . 11221 1 154 . 1 1 20 20 VAL HA H 1 4.703 0.030 . 1 . . . . 20 VAL HA . 11221 1 155 . 1 1 20 20 VAL HB H 1 2.672 0.030 . 1 . . . . 20 VAL HB . 11221 1 156 . 1 1 20 20 VAL HG11 H 1 0.890 0.030 . 1 . . . . 20 VAL HG1 . 11221 1 157 . 1 1 20 20 VAL HG12 H 1 0.890 0.030 . 1 . . . . 20 VAL HG1 . 11221 1 158 . 1 1 20 20 VAL HG13 H 1 0.890 0.030 . 1 . . . . 20 VAL HG1 . 11221 1 159 . 1 1 20 20 VAL HG21 H 1 0.573 0.030 . 1 . . . . 20 VAL HG2 . 11221 1 160 . 1 1 20 20 VAL HG22 H 1 0.573 0.030 . 1 . . . . 20 VAL HG2 . 11221 1 161 . 1 1 20 20 VAL HG23 H 1 0.573 0.030 . 1 . . . . 20 VAL HG2 . 11221 1 162 . 1 1 20 20 VAL C C 13 174.983 0.300 . 1 . . . . 20 VAL C . 11221 1 163 . 1 1 20 20 VAL CA C 13 58.755 0.300 . 1 . . . . 20 VAL CA . 11221 1 164 . 1 1 20 20 VAL CB C 13 35.881 0.300 . 1 . . . . 20 VAL CB . 11221 1 165 . 1 1 20 20 VAL CG1 C 13 22.188 0.300 . 2 . . . . 20 VAL CG1 . 11221 1 166 . 1 1 20 20 VAL CG2 C 13 18.906 0.300 . 2 . . . . 20 VAL CG2 . 11221 1 167 . 1 1 20 20 VAL N N 15 117.378 0.300 . 1 . . . . 20 VAL N . 11221 1 168 . 1 1 21 21 TYR H H 1 8.774 0.030 . 1 . . . . 21 TYR H . 11221 1 169 . 1 1 21 21 TYR HA H 1 4.725 0.030 . 1 . . . . 21 TYR HA . 11221 1 170 . 1 1 21 21 TYR HB2 H 1 3.114 0.030 . 2 . . . . 21 TYR HB2 . 11221 1 171 . 1 1 21 21 TYR HB3 H 1 2.617 0.030 . 2 . . . . 21 TYR HB3 . 11221 1 172 . 1 1 21 21 TYR HD1 H 1 7.210 0.030 . 1 . . . . 21 TYR HD1 . 11221 1 173 . 1 1 21 21 TYR HD2 H 1 7.210 0.030 . 1 . . . . 21 TYR HD2 . 11221 1 174 . 1 1 21 21 TYR HE1 H 1 6.779 0.030 . 1 . . . . 21 TYR HE1 . 11221 1 175 . 1 1 21 21 TYR HE2 H 1 6.779 0.030 . 1 . . . . 21 TYR HE2 . 11221 1 176 . 1 1 21 21 TYR C C 13 175.054 0.300 . 1 . . . . 21 TYR C . 11221 1 177 . 1 1 21 21 TYR CA C 13 57.870 0.300 . 1 . . . . 21 TYR CA . 11221 1 178 . 1 1 21 21 TYR CB C 13 39.617 0.300 . 1 . . . . 21 TYR CB . 11221 1 179 . 1 1 21 21 TYR CD1 C 13 133.298 0.300 . 1 . . . . 21 TYR CD1 . 11221 1 180 . 1 1 21 21 TYR CD2 C 13 133.298 0.300 . 1 . . . . 21 TYR CD2 . 11221 1 181 . 1 1 21 21 TYR CE1 C 13 117.924 0.300 . 1 . . . . 21 TYR CE1 . 11221 1 182 . 1 1 21 21 TYR CE2 C 13 117.924 0.300 . 1 . . . . 21 TYR CE2 . 11221 1 183 . 1 1 21 21 TYR N N 15 119.294 0.300 . 1 . . . . 21 TYR N . 11221 1 184 . 1 1 22 22 ASP H H 1 8.158 0.030 . 1 . . . . 22 ASP H . 11221 1 185 . 1 1 22 22 ASP HA H 1 4.103 0.030 . 1 . . . . 22 ASP HA . 11221 1 186 . 1 1 22 22 ASP HB2 H 1 2.510 0.030 . 2 . . . . 22 ASP HB2 . 11221 1 187 . 1 1 22 22 ASP HB3 H 1 2.673 0.030 . 2 . . . . 22 ASP HB3 . 11221 1 188 . 1 1 22 22 ASP C C 13 176.921 0.300 . 1 . . . . 22 ASP C . 11221 1 189 . 1 1 22 22 ASP CA C 13 56.281 0.300 . 1 . . . . 22 ASP CA . 11221 1 190 . 1 1 22 22 ASP CB C 13 43.132 0.300 . 1 . . . . 22 ASP CB . 11221 1 191 . 1 1 22 22 ASP N N 15 118.943 0.300 . 1 . . . . 22 ASP N . 11221 1 192 . 1 1 23 23 GLY H H 1 9.579 0.030 . 1 . . . . 23 GLY H . 11221 1 193 . 1 1 23 23 GLY HA2 H 1 4.365 0.030 . 2 . . . . 23 GLY HA2 . 11221 1 194 . 1 1 23 23 GLY HA3 H 1 3.370 0.030 . 2 . . . . 23 GLY HA3 . 11221 1 195 . 1 1 23 23 GLY C C 13 175.191 0.300 . 1 . . . . 23 GLY C . 11221 1 196 . 1 1 23 23 GLY CA C 13 45.195 0.300 . 1 . . . . 23 GLY CA . 11221 1 197 . 1 1 23 23 GLY N N 15 114.960 0.300 . 1 . . . . 23 GLY N . 11221 1 198 . 1 1 24 24 GLU H H 1 8.081 0.030 . 1 . . . . 24 GLU H . 11221 1 199 . 1 1 24 24 GLU HA H 1 4.424 0.030 . 1 . . . . 24 GLU HA . 11221 1 200 . 1 1 24 24 GLU HB2 H 1 2.356 0.030 . 2 . . . . 24 GLU HB2 . 11221 1 201 . 1 1 24 24 GLU HB3 H 1 2.215 0.030 . 2 . . . . 24 GLU HB3 . 11221 1 202 . 1 1 24 24 GLU HG2 H 1 2.206 0.030 . 2 . . . . 24 GLU HG2 . 11221 1 203 . 1 1 24 24 GLU HG3 H 1 2.420 0.030 . 2 . . . . 24 GLU HG3 . 11221 1 204 . 1 1 24 24 GLU C C 13 174.598 0.300 . 1 . . . . 24 GLU C . 11221 1 205 . 1 1 24 24 GLU CA C 13 56.453 0.300 . 1 . . . . 24 GLU CA . 11221 1 206 . 1 1 24 24 GLU CB C 13 31.259 0.300 . 1 . . . . 24 GLU CB . 11221 1 207 . 1 1 24 24 GLU CG C 13 38.669 0.300 . 1 . . . . 24 GLU CG . 11221 1 208 . 1 1 24 24 GLU N N 15 121.528 0.300 . 1 . . . . 24 GLU N . 11221 1 209 . 1 1 25 25 ASP H H 1 8.241 0.030 . 1 . . . . 25 ASP H . 11221 1 210 . 1 1 25 25 ASP HA H 1 5.385 0.030 . 1 . . . . 25 ASP HA . 11221 1 211 . 1 1 25 25 ASP HB2 H 1 2.319 0.030 . 2 . . . . 25 ASP HB2 . 11221 1 212 . 1 1 25 25 ASP HB3 H 1 2.559 0.030 . 2 . . . . 25 ASP HB3 . 11221 1 213 . 1 1 25 25 ASP C C 13 175.489 0.300 . 1 . . . . 25 ASP C . 11221 1 214 . 1 1 25 25 ASP CA C 13 53.188 0.300 . 1 . . . . 25 ASP CA . 11221 1 215 . 1 1 25 25 ASP CB C 13 40.841 0.300 . 1 . . . . 25 ASP CB . 11221 1 216 . 1 1 25 25 ASP N N 15 118.115 0.300 . 1 . . . . 25 ASP N . 11221 1 217 . 1 1 26 26 ALA H H 1 9.059 0.030 . 1 . . . . 26 ALA H . 11221 1 218 . 1 1 26 26 ALA HA H 1 4.605 0.030 . 1 . . . . 26 ALA HA . 11221 1 219 . 1 1 26 26 ALA HB1 H 1 1.287 0.030 . 1 . . . . 26 ALA HB . 11221 1 220 . 1 1 26 26 ALA HB2 H 1 1.287 0.030 . 1 . . . . 26 ALA HB . 11221 1 221 . 1 1 26 26 ALA HB3 H 1 1.287 0.030 . 1 . . . . 26 ALA HB . 11221 1 222 . 1 1 26 26 ALA C C 13 174.660 0.300 . 1 . . . . 26 ALA C . 11221 1 223 . 1 1 26 26 ALA CA C 13 50.282 0.300 . 1 . . . . 26 ALA CA . 11221 1 224 . 1 1 26 26 ALA CB C 13 23.432 0.300 . 1 . . . . 26 ALA CB . 11221 1 225 . 1 1 26 26 ALA N N 15 124.105 0.300 . 1 . . . . 26 ALA N . 11221 1 226 . 1 1 27 27 VAL H H 1 8.003 0.030 . 1 . . . . 27 VAL H . 11221 1 227 . 1 1 27 27 VAL HA H 1 4.679 0.030 . 1 . . . . 27 VAL HA . 11221 1 228 . 1 1 27 27 VAL HB H 1 1.830 0.030 . 1 . . . . 27 VAL HB . 11221 1 229 . 1 1 27 27 VAL HG11 H 1 0.820 0.030 . 1 . . . . 27 VAL HG1 . 11221 1 230 . 1 1 27 27 VAL HG12 H 1 0.820 0.030 . 1 . . . . 27 VAL HG1 . 11221 1 231 . 1 1 27 27 VAL HG13 H 1 0.820 0.030 . 1 . . . . 27 VAL HG1 . 11221 1 232 . 1 1 27 27 VAL HG21 H 1 0.724 0.030 . 1 . . . . 27 VAL HG2 . 11221 1 233 . 1 1 27 27 VAL HG22 H 1 0.724 0.030 . 1 . . . . 27 VAL HG2 . 11221 1 234 . 1 1 27 27 VAL HG23 H 1 0.724 0.030 . 1 . . . . 27 VAL HG2 . 11221 1 235 . 1 1 27 27 VAL C C 13 174.378 0.300 . 1 . . . . 27 VAL C . 11221 1 236 . 1 1 27 27 VAL CA C 13 61.544 0.300 . 1 . . . . 27 VAL CA . 11221 1 237 . 1 1 27 27 VAL CB C 13 33.208 0.300 . 1 . . . . 27 VAL CB . 11221 1 238 . 1 1 27 27 VAL CG1 C 13 20.851 0.300 . 2 . . . . 27 VAL CG1 . 11221 1 239 . 1 1 27 27 VAL CG2 C 13 20.762 0.300 . 2 . . . . 27 VAL CG2 . 11221 1 240 . 1 1 27 27 VAL N N 15 122.333 0.300 . 1 . . . . 27 VAL N . 11221 1 241 . 1 1 28 28 PHE H H 1 9.316 0.030 . 1 . . . . 28 PHE H . 11221 1 242 . 1 1 28 28 PHE HA H 1 4.766 0.030 . 1 . . . . 28 PHE HA . 11221 1 243 . 1 1 28 28 PHE HB2 H 1 3.151 0.030 . 2 . . . . 28 PHE HB2 . 11221 1 244 . 1 1 28 28 PHE HB3 H 1 2.861 0.030 . 2 . . . . 28 PHE HB3 . 11221 1 245 . 1 1 28 28 PHE HD1 H 1 7.179 0.030 . 1 . . . . 28 PHE HD1 . 11221 1 246 . 1 1 28 28 PHE HD2 H 1 7.179 0.030 . 1 . . . . 28 PHE HD2 . 11221 1 247 . 1 1 28 28 PHE HE1 H 1 7.109 0.030 . 1 . . . . 28 PHE HE1 . 11221 1 248 . 1 1 28 28 PHE HE2 H 1 7.109 0.030 . 1 . . . . 28 PHE HE2 . 11221 1 249 . 1 1 28 28 PHE HZ H 1 7.035 0.030 . 1 . . . . 28 PHE HZ . 11221 1 250 . 1 1 28 28 PHE C C 13 174.522 0.300 . 1 . . . . 28 PHE C . 11221 1 251 . 1 1 28 28 PHE CA C 13 56.878 0.300 . 1 . . . . 28 PHE CA . 11221 1 252 . 1 1 28 28 PHE CB C 13 41.374 0.300 . 1 . . . . 28 PHE CB . 11221 1 253 . 1 1 28 28 PHE CD1 C 13 131.871 0.300 . 1 . . . . 28 PHE CD1 . 11221 1 254 . 1 1 28 28 PHE CD2 C 13 131.871 0.300 . 1 . . . . 28 PHE CD2 . 11221 1 255 . 1 1 28 28 PHE CE1 C 13 130.987 0.300 . 1 . . . . 28 PHE CE1 . 11221 1 256 . 1 1 28 28 PHE CE2 C 13 130.987 0.300 . 1 . . . . 28 PHE CE2 . 11221 1 257 . 1 1 28 28 PHE CZ C 13 128.895 0.300 . 1 . . . . 28 PHE CZ . 11221 1 258 . 1 1 28 28 PHE N N 15 127.315 0.300 . 1 . . . . 28 PHE N . 11221 1 259 . 1 1 29 29 SER H H 1 8.192 0.030 . 1 . . . . 29 SER H . 11221 1 260 . 1 1 29 29 SER HA H 1 5.706 0.030 . 1 . . . . 29 SER HA . 11221 1 261 . 1 1 29 29 SER HB2 H 1 3.644 0.030 . 2 . . . . 29 SER HB2 . 11221 1 262 . 1 1 29 29 SER HB3 H 1 3.569 0.030 . 2 . . . . 29 SER HB3 . 11221 1 263 . 1 1 29 29 SER C C 13 171.553 0.300 . 1 . . . . 29 SER C . 11221 1 264 . 1 1 29 29 SER CA C 13 56.964 0.300 . 1 . . . . 29 SER CA . 11221 1 265 . 1 1 29 29 SER CB C 13 66.113 0.300 . 1 . . . . 29 SER CB . 11221 1 266 . 1 1 29 29 SER N N 15 114.831 0.300 . 1 . . . . 29 SER N . 11221 1 267 . 1 1 30 30 LEU H H 1 8.969 0.030 . 1 . . . . 30 LEU H . 11221 1 268 . 1 1 30 30 LEU HA H 1 4.718 0.030 . 1 . . . . 30 LEU HA . 11221 1 269 . 1 1 30 30 LEU HB2 H 1 1.598 0.030 . 2 . . . . 30 LEU HB2 . 11221 1 270 . 1 1 30 30 LEU HB3 H 1 1.876 0.030 . 2 . . . . 30 LEU HB3 . 11221 1 271 . 1 1 30 30 LEU HD11 H 1 0.082 0.030 . 1 . . . . 30 LEU HD1 . 11221 1 272 . 1 1 30 30 LEU HD12 H 1 0.082 0.030 . 1 . . . . 30 LEU HD1 . 11221 1 273 . 1 1 30 30 LEU HD13 H 1 0.082 0.030 . 1 . . . . 30 LEU HD1 . 11221 1 274 . 1 1 30 30 LEU HD21 H 1 -0.154 0.030 . 1 . . . . 30 LEU HD2 . 11221 1 275 . 1 1 30 30 LEU HD22 H 1 -0.154 0.030 . 1 . . . . 30 LEU HD2 . 11221 1 276 . 1 1 30 30 LEU HD23 H 1 -0.154 0.030 . 1 . . . . 30 LEU HD2 . 11221 1 277 . 1 1 30 30 LEU HG H 1 1.217 0.030 . 1 . . . . 30 LEU HG . 11221 1 278 . 1 1 30 30 LEU C C 13 174.145 0.300 . 1 . . . . 30 LEU C . 11221 1 279 . 1 1 30 30 LEU CA C 13 55.337 0.300 . 1 . . . . 30 LEU CA . 11221 1 280 . 1 1 30 30 LEU CB C 13 43.993 0.300 . 1 . . . . 30 LEU CB . 11221 1 281 . 1 1 30 30 LEU CD1 C 13 25.807 0.300 . 2 . . . . 30 LEU CD1 . 11221 1 282 . 1 1 30 30 LEU CD2 C 13 26.552 0.300 . 2 . . . . 30 LEU CD2 . 11221 1 283 . 1 1 30 30 LEU CG C 13 25.682 0.300 . 1 . . . . 30 LEU CG . 11221 1 284 . 1 1 30 30 LEU N N 15 122.154 0.300 . 1 . . . . 30 LEU N . 11221 1 285 . 1 1 31 31 ASP H H 1 8.978 0.030 . 1 . . . . 31 ASP H . 11221 1 286 . 1 1 31 31 ASP HA H 1 5.537 0.030 . 1 . . . . 31 ASP HA . 11221 1 287 . 1 1 31 31 ASP HB2 H 1 2.461 0.030 . 2 . . . . 31 ASP HB2 . 11221 1 288 . 1 1 31 31 ASP HB3 H 1 2.590 0.030 . 2 . . . . 31 ASP HB3 . 11221 1 289 . 1 1 31 31 ASP C C 13 175.786 0.300 . 1 . . . . 31 ASP C . 11221 1 290 . 1 1 31 31 ASP CA C 13 53.197 0.300 . 1 . . . . 31 ASP CA . 11221 1 291 . 1 1 31 31 ASP CB C 13 43.632 0.300 . 1 . . . . 31 ASP CB . 11221 1 292 . 1 1 31 31 ASP N N 15 118.642 0.300 . 1 . . . . 31 ASP N . 11221 1 293 . 1 1 32 32 LEU H H 1 8.979 0.030 . 1 . . . . 32 LEU H . 11221 1 294 . 1 1 32 32 LEU HA H 1 5.255 0.030 . 1 . . . . 32 LEU HA . 11221 1 295 . 1 1 32 32 LEU HB2 H 1 2.368 0.030 . 2 . . . . 32 LEU HB2 . 11221 1 296 . 1 1 32 32 LEU HB3 H 1 1.567 0.030 . 2 . . . . 32 LEU HB3 . 11221 1 297 . 1 1 32 32 LEU HD11 H 1 0.897 0.030 . 1 . . . . 32 LEU HD1 . 11221 1 298 . 1 1 32 32 LEU HD12 H 1 0.897 0.030 . 1 . . . . 32 LEU HD1 . 11221 1 299 . 1 1 32 32 LEU HD13 H 1 0.897 0.030 . 1 . . . . 32 LEU HD1 . 11221 1 300 . 1 1 32 32 LEU HD21 H 1 0.762 0.030 . 1 . . . . 32 LEU HD2 . 11221 1 301 . 1 1 32 32 LEU HD22 H 1 0.762 0.030 . 1 . . . . 32 LEU HD2 . 11221 1 302 . 1 1 32 32 LEU HD23 H 1 0.762 0.030 . 1 . . . . 32 LEU HD2 . 11221 1 303 . 1 1 32 32 LEU HG H 1 1.572 0.030 . 1 . . . . 32 LEU HG . 11221 1 304 . 1 1 32 32 LEU C C 13 177.234 0.300 . 1 . . . . 32 LEU C . 11221 1 305 . 1 1 32 32 LEU CA C 13 52.716 0.300 . 1 . . . . 32 LEU CA . 11221 1 306 . 1 1 32 32 LEU CB C 13 46.571 0.300 . 1 . . . . 32 LEU CB . 11221 1 307 . 1 1 32 32 LEU CD1 C 13 27.726 0.300 . 2 . . . . 32 LEU CD1 . 11221 1 308 . 1 1 32 32 LEU CD2 C 13 24.925 0.300 . 2 . . . . 32 LEU CD2 . 11221 1 309 . 1 1 32 32 LEU CG C 13 27.145 0.300 . 1 . . . . 32 LEU CG . 11221 1 310 . 1 1 32 32 LEU N N 15 122.080 0.300 . 1 . . . . 32 LEU N . 11221 1 311 . 1 1 33 33 SER H H 1 8.375 0.030 . 1 . . . . 33 SER H . 11221 1 312 . 1 1 33 33 SER HA H 1 4.209 0.030 . 1 . . . . 33 SER HA . 11221 1 313 . 1 1 33 33 SER HB2 H 1 3.610 0.030 . 2 . . . . 33 SER HB2 . 11221 1 314 . 1 1 33 33 SER HB3 H 1 4.163 0.030 . 2 . . . . 33 SER HB3 . 11221 1 315 . 1 1 33 33 SER C C 13 174.443 0.300 . 1 . . . . 33 SER C . 11221 1 316 . 1 1 33 33 SER CA C 13 59.445 0.300 . 1 . . . . 33 SER CA . 11221 1 317 . 1 1 33 33 SER CB C 13 63.479 0.300 . 1 . . . . 33 SER CB . 11221 1 318 . 1 1 33 33 SER N N 15 109.510 0.300 . 1 . . . . 33 SER N . 11221 1 319 . 1 1 34 34 THR H H 1 7.323 0.030 . 1 . . . . 34 THR H . 11221 1 320 . 1 1 34 34 THR HA H 1 4.536 0.030 . 1 . . . . 34 THR HA . 11221 1 321 . 1 1 34 34 THR HB H 1 4.048 0.030 . 1 . . . . 34 THR HB . 11221 1 322 . 1 1 34 34 THR HG21 H 1 1.017 0.030 . 1 . . . . 34 THR HG2 . 11221 1 323 . 1 1 34 34 THR HG22 H 1 1.017 0.030 . 1 . . . . 34 THR HG2 . 11221 1 324 . 1 1 34 34 THR HG23 H 1 1.017 0.030 . 1 . . . . 34 THR HG2 . 11221 1 325 . 1 1 34 34 THR C C 13 172.360 0.300 . 1 . . . . 34 THR C . 11221 1 326 . 1 1 34 34 THR CA C 13 59.420 0.300 . 1 . . . . 34 THR CA . 11221 1 327 . 1 1 34 34 THR CB C 13 70.210 0.300 . 1 . . . . 34 THR CB . 11221 1 328 . 1 1 34 34 THR CG2 C 13 19.538 0.300 . 1 . . . . 34 THR CG2 . 11221 1 329 . 1 1 34 34 THR N N 15 114.958 0.300 . 1 . . . . 34 THR N . 11221 1 330 . 1 1 35 35 ILE H H 1 8.005 0.030 . 1 . . . . 35 ILE H . 11221 1 331 . 1 1 35 35 ILE HA H 1 3.986 0.030 . 1 . . . . 35 ILE HA . 11221 1 332 . 1 1 35 35 ILE HB H 1 1.821 0.030 . 1 . . . . 35 ILE HB . 11221 1 333 . 1 1 35 35 ILE HD11 H 1 0.875 0.030 . 1 . . . . 35 ILE HD1 . 11221 1 334 . 1 1 35 35 ILE HD12 H 1 0.875 0.030 . 1 . . . . 35 ILE HD1 . 11221 1 335 . 1 1 35 35 ILE HD13 H 1 0.875 0.030 . 1 . . . . 35 ILE HD1 . 11221 1 336 . 1 1 35 35 ILE HG12 H 1 1.683 0.030 . 2 . . . . 35 ILE HG12 . 11221 1 337 . 1 1 35 35 ILE HG13 H 1 0.696 0.030 . 2 . . . . 35 ILE HG13 . 11221 1 338 . 1 1 35 35 ILE HG21 H 1 0.822 0.030 . 1 . . . . 35 ILE HG2 . 11221 1 339 . 1 1 35 35 ILE HG22 H 1 0.822 0.030 . 1 . . . . 35 ILE HG2 . 11221 1 340 . 1 1 35 35 ILE HG23 H 1 0.822 0.030 . 1 . . . . 35 ILE HG2 . 11221 1 341 . 1 1 35 35 ILE C C 13 174.247 0.300 . 1 . . . . 35 ILE C . 11221 1 342 . 1 1 35 35 ILE CA C 13 62.395 0.300 . 1 . . . . 35 ILE CA . 11221 1 343 . 1 1 35 35 ILE CB C 13 37.076 0.300 . 1 . . . . 35 ILE CB . 11221 1 344 . 1 1 35 35 ILE CD1 C 13 12.887 0.300 . 1 . . . . 35 ILE CD1 . 11221 1 345 . 1 1 35 35 ILE CG1 C 13 28.025 0.300 . 1 . . . . 35 ILE CG1 . 11221 1 346 . 1 1 35 35 ILE CG2 C 13 17.155 0.300 . 1 . . . . 35 ILE CG2 . 11221 1 347 . 1 1 35 35 ILE N N 15 124.512 0.300 . 1 . . . . 35 ILE N . 11221 1 348 . 1 1 36 36 ILE H H 1 8.792 0.030 . 1 . . . . 36 ILE H . 11221 1 349 . 1 1 36 36 ILE HA H 1 4.500 0.030 . 1 . . . . 36 ILE HA . 11221 1 350 . 1 1 36 36 ILE HB H 1 1.609 0.030 . 1 . . . . 36 ILE HB . 11221 1 351 . 1 1 36 36 ILE HD11 H 1 0.895 0.030 . 1 . . . . 36 ILE HD1 . 11221 1 352 . 1 1 36 36 ILE HD12 H 1 0.895 0.030 . 1 . . . . 36 ILE HD1 . 11221 1 353 . 1 1 36 36 ILE HD13 H 1 0.895 0.030 . 1 . . . . 36 ILE HD1 . 11221 1 354 . 1 1 36 36 ILE HG12 H 1 1.708 0.030 . 2 . . . . 36 ILE HG12 . 11221 1 355 . 1 1 36 36 ILE HG13 H 1 1.416 0.030 . 2 . . . . 36 ILE HG13 . 11221 1 356 . 1 1 36 36 ILE HG21 H 1 0.791 0.030 . 1 . . . . 36 ILE HG2 . 11221 1 357 . 1 1 36 36 ILE HG22 H 1 0.791 0.030 . 1 . . . . 36 ILE HG2 . 11221 1 358 . 1 1 36 36 ILE HG23 H 1 0.791 0.030 . 1 . . . . 36 ILE HG2 . 11221 1 359 . 1 1 36 36 ILE C C 13 171.775 0.300 . 1 . . . . 36 ILE C . 11221 1 360 . 1 1 36 36 ILE CA C 13 60.466 0.300 . 1 . . . . 36 ILE CA . 11221 1 361 . 1 1 36 36 ILE CB C 13 42.563 0.300 . 1 . . . . 36 ILE CB . 11221 1 362 . 1 1 36 36 ILE CD1 C 13 15.342 0.300 . 1 . . . . 36 ILE CD1 . 11221 1 363 . 1 1 36 36 ILE CG1 C 13 29.030 0.300 . 1 . . . . 36 ILE CG1 . 11221 1 364 . 1 1 36 36 ILE CG2 C 13 16.843 0.300 . 1 . . . . 36 ILE CG2 . 11221 1 365 . 1 1 36 36 ILE N N 15 131.152 0.300 . 1 . . . . 36 ILE N . 11221 1 366 . 1 1 37 37 GLN H H 1 7.663 0.030 . 1 . . . . 37 GLN H . 11221 1 367 . 1 1 37 37 GLN HA H 1 4.619 0.030 . 1 . . . . 37 GLN HA . 11221 1 368 . 1 1 37 37 GLN HB2 H 1 2.103 0.030 . 2 . . . . 37 GLN HB2 . 11221 1 369 . 1 1 37 37 GLN HB3 H 1 2.057 0.030 . 2 . . . . 37 GLN HB3 . 11221 1 370 . 1 1 37 37 GLN HE21 H 1 7.675 0.030 . 2 . . . . 37 GLN HE21 . 11221 1 371 . 1 1 37 37 GLN HE22 H 1 6.885 0.030 . 2 . . . . 37 GLN HE22 . 11221 1 372 . 1 1 37 37 GLN HG2 H 1 2.461 0.030 . 2 . . . . 37 GLN HG2 . 11221 1 373 . 1 1 37 37 GLN HG3 H 1 2.498 0.030 . 2 . . . . 37 GLN HG3 . 11221 1 374 . 1 1 37 37 GLN C C 13 175.926 0.300 . 1 . . . . 37 GLN C . 11221 1 375 . 1 1 37 37 GLN CA C 13 55.966 0.300 . 1 . . . . 37 GLN CA . 11221 1 376 . 1 1 37 37 GLN CB C 13 29.478 0.300 . 1 . . . . 37 GLN CB . 11221 1 377 . 1 1 37 37 GLN CG C 13 34.237 0.300 . 1 . . . . 37 GLN CG . 11221 1 378 . 1 1 37 37 GLN N N 15 122.647 0.300 . 1 . . . . 37 GLN N . 11221 1 379 . 1 1 37 37 GLN NE2 N 15 112.695 0.300 . 1 . . . . 37 GLN NE2 . 11221 1 380 . 1 1 38 38 GLY H H 1 8.679 0.030 . 1 . . . . 38 GLY H . 11221 1 381 . 1 1 38 38 GLY HA2 H 1 3.195 0.030 . 2 . . . . 38 GLY HA2 . 11221 1 382 . 1 1 38 38 GLY HA3 H 1 4.305 0.030 . 2 . . . . 38 GLY HA3 . 11221 1 383 . 1 1 38 38 GLY C C 13 171.947 0.300 . 1 . . . . 38 GLY C . 11221 1 384 . 1 1 38 38 GLY CA C 13 44.332 0.300 . 1 . . . . 38 GLY CA . 11221 1 385 . 1 1 38 38 GLY N N 15 109.944 0.300 . 1 . . . . 38 GLY N . 11221 1 386 . 1 1 39 39 THR H H 1 7.626 0.030 . 1 . . . . 39 THR H . 11221 1 387 . 1 1 39 39 THR HA H 1 4.329 0.030 . 1 . . . . 39 THR HA . 11221 1 388 . 1 1 39 39 THR HB H 1 3.503 0.030 . 1 . . . . 39 THR HB . 11221 1 389 . 1 1 39 39 THR HG21 H 1 0.697 0.030 . 1 . . . . 39 THR HG2 . 11221 1 390 . 1 1 39 39 THR HG22 H 1 0.697 0.030 . 1 . . . . 39 THR HG2 . 11221 1 391 . 1 1 39 39 THR HG23 H 1 0.697 0.030 . 1 . . . . 39 THR HG2 . 11221 1 392 . 1 1 39 39 THR C C 13 170.701 0.300 . 1 . . . . 39 THR C . 11221 1 393 . 1 1 39 39 THR CA C 13 61.713 0.300 . 1 . . . . 39 THR CA . 11221 1 394 . 1 1 39 39 THR CB C 13 71.435 0.300 . 1 . . . . 39 THR CB . 11221 1 395 . 1 1 39 39 THR CG2 C 13 22.629 0.300 . 1 . . . . 39 THR CG2 . 11221 1 396 . 1 1 39 39 THR N N 15 117.047 0.300 . 1 . . . . 39 THR N . 11221 1 397 . 1 1 40 40 TRP H H 1 8.949 0.030 . 1 . . . . 40 TRP H . 11221 1 398 . 1 1 40 40 TRP HA H 1 5.330 0.030 . 1 . . . . 40 TRP HA . 11221 1 399 . 1 1 40 40 TRP HB2 H 1 3.127 0.030 . 2 . . . . 40 TRP HB2 . 11221 1 400 . 1 1 40 40 TRP HB3 H 1 2.864 0.030 . 2 . . . . 40 TRP HB3 . 11221 1 401 . 1 1 40 40 TRP HD1 H 1 7.305 0.030 . 1 . . . . 40 TRP HD1 . 11221 1 402 . 1 1 40 40 TRP HE1 H 1 10.996 0.030 . 1 . . . . 40 TRP HE1 . 11221 1 403 . 1 1 40 40 TRP HE3 H 1 7.668 0.030 . 1 . . . . 40 TRP HE3 . 11221 1 404 . 1 1 40 40 TRP HH2 H 1 6.639 0.030 . 1 . . . . 40 TRP HH2 . 11221 1 405 . 1 1 40 40 TRP HZ2 H 1 6.974 0.030 . 1 . . . . 40 TRP HZ2 . 11221 1 406 . 1 1 40 40 TRP HZ3 H 1 6.638 0.030 . 1 . . . . 40 TRP HZ3 . 11221 1 407 . 1 1 40 40 TRP C C 13 174.894 0.300 . 1 . . . . 40 TRP C . 11221 1 408 . 1 1 40 40 TRP CA C 13 55.811 0.300 . 1 . . . . 40 TRP CA . 11221 1 409 . 1 1 40 40 TRP CB C 13 32.904 0.300 . 1 . . . . 40 TRP CB . 11221 1 410 . 1 1 40 40 TRP CD1 C 13 127.022 0.300 . 1 . . . . 40 TRP CD1 . 11221 1 411 . 1 1 40 40 TRP CE3 C 13 122.053 0.300 . 1 . . . . 40 TRP CE3 . 11221 1 412 . 1 1 40 40 TRP CH2 C 13 123.769 0.300 . 1 . . . . 40 TRP CH2 . 11221 1 413 . 1 1 40 40 TRP CZ2 C 13 113.836 0.300 . 1 . . . . 40 TRP CZ2 . 11221 1 414 . 1 1 40 40 TRP CZ3 C 13 120.224 0.300 . 1 . . . . 40 TRP CZ3 . 11221 1 415 . 1 1 40 40 TRP N N 15 125.085 0.300 . 1 . . . . 40 TRP N . 11221 1 416 . 1 1 40 40 TRP NE1 N 15 129.857 0.300 . 1 . . . . 40 TRP NE1 . 11221 1 417 . 1 1 41 41 PHE H H 1 9.251 0.030 . 1 . . . . 41 PHE H . 11221 1 418 . 1 1 41 41 PHE HA H 1 5.139 0.030 . 1 . . . . 41 PHE HA . 11221 1 419 . 1 1 41 41 PHE HB2 H 1 2.483 0.030 . 2 . . . . 41 PHE HB2 . 11221 1 420 . 1 1 41 41 PHE HB3 H 1 2.447 0.030 . 2 . . . . 41 PHE HB3 . 11221 1 421 . 1 1 41 41 PHE HD1 H 1 6.637 0.030 . 1 . . . . 41 PHE HD1 . 11221 1 422 . 1 1 41 41 PHE HD2 H 1 6.637 0.030 . 1 . . . . 41 PHE HD2 . 11221 1 423 . 1 1 41 41 PHE HE1 H 1 7.089 0.030 . 1 . . . . 41 PHE HE1 . 11221 1 424 . 1 1 41 41 PHE HE2 H 1 7.089 0.030 . 1 . . . . 41 PHE HE2 . 11221 1 425 . 1 1 41 41 PHE HZ H 1 7.083 0.030 . 1 . . . . 41 PHE HZ . 11221 1 426 . 1 1 41 41 PHE C C 13 174.665 0.300 . 1 . . . . 41 PHE C . 11221 1 427 . 1 1 41 41 PHE CA C 13 55.771 0.300 . 1 . . . . 41 PHE CA . 11221 1 428 . 1 1 41 41 PHE CB C 13 44.494 0.300 . 1 . . . . 41 PHE CB . 11221 1 429 . 1 1 41 41 PHE CD1 C 13 131.068 0.300 . 1 . . . . 41 PHE CD1 . 11221 1 430 . 1 1 41 41 PHE CD2 C 13 131.068 0.300 . 1 . . . . 41 PHE CD2 . 11221 1 431 . 1 1 41 41 PHE CE1 C 13 130.992 0.300 . 1 . . . . 41 PHE CE1 . 11221 1 432 . 1 1 41 41 PHE CE2 C 13 130.992 0.300 . 1 . . . . 41 PHE CE2 . 11221 1 433 . 1 1 41 41 PHE CZ C 13 129.554 0.300 . 1 . . . . 41 PHE CZ . 11221 1 434 . 1 1 41 41 PHE N N 15 117.036 0.300 . 1 . . . . 41 PHE N . 11221 1 435 . 1 1 42 42 LEU H H 1 8.764 0.030 . 1 . . . . 42 LEU H . 11221 1 436 . 1 1 42 42 LEU HA H 1 5.104 0.030 . 1 . . . . 42 LEU HA . 11221 1 437 . 1 1 42 42 LEU HB2 H 1 1.794 0.030 . 2 . . . . 42 LEU HB2 . 11221 1 438 . 1 1 42 42 LEU HB3 H 1 1.112 0.030 . 2 . . . . 42 LEU HB3 . 11221 1 439 . 1 1 42 42 LEU HD11 H 1 0.806 0.030 . 1 . . . . 42 LEU HD1 . 11221 1 440 . 1 1 42 42 LEU HD12 H 1 0.806 0.030 . 1 . . . . 42 LEU HD1 . 11221 1 441 . 1 1 42 42 LEU HD13 H 1 0.806 0.030 . 1 . . . . 42 LEU HD1 . 11221 1 442 . 1 1 42 42 LEU HD21 H 1 0.732 0.030 . 1 . . . . 42 LEU HD2 . 11221 1 443 . 1 1 42 42 LEU HD22 H 1 0.732 0.030 . 1 . . . . 42 LEU HD2 . 11221 1 444 . 1 1 42 42 LEU HD23 H 1 0.732 0.030 . 1 . . . . 42 LEU HD2 . 11221 1 445 . 1 1 42 42 LEU HG H 1 1.365 0.030 . 1 . . . . 42 LEU HG . 11221 1 446 . 1 1 42 42 LEU C C 13 177.120 0.300 . 1 . . . . 42 LEU C . 11221 1 447 . 1 1 42 42 LEU CA C 13 53.306 0.300 . 1 . . . . 42 LEU CA . 11221 1 448 . 1 1 42 42 LEU CB C 13 45.603 0.300 . 1 . . . . 42 LEU CB . 11221 1 449 . 1 1 42 42 LEU CD1 C 13 26.211 0.300 . 2 . . . . 42 LEU CD1 . 11221 1 450 . 1 1 42 42 LEU CD2 C 13 24.371 0.300 . 2 . . . . 42 LEU CD2 . 11221 1 451 . 1 1 42 42 LEU CG C 13 27.685 0.300 . 1 . . . . 42 LEU CG . 11221 1 452 . 1 1 42 42 LEU N N 15 120.483 0.300 . 1 . . . . 42 LEU N . 11221 1 453 . 1 1 43 43 ASN H H 1 10.185 0.030 . 1 . . . . 43 ASN H . 11221 1 454 . 1 1 43 43 ASN HA H 1 4.502 0.030 . 1 . . . . 43 ASN HA . 11221 1 455 . 1 1 43 43 ASN HB2 H 1 2.952 0.030 . 2 . . . . 43 ASN HB2 . 11221 1 456 . 1 1 43 43 ASN HB3 H 1 3.087 0.030 . 2 . . . . 43 ASN HB3 . 11221 1 457 . 1 1 43 43 ASN HD21 H 1 6.932 0.030 . 2 . . . . 43 ASN HD21 . 11221 1 458 . 1 1 43 43 ASN HD22 H 1 7.917 0.030 . 2 . . . . 43 ASN HD22 . 11221 1 459 . 1 1 43 43 ASN C C 13 175.659 0.300 . 1 . . . . 43 ASN C . 11221 1 460 . 1 1 43 43 ASN CA C 13 54.444 0.300 . 1 . . . . 43 ASN CA . 11221 1 461 . 1 1 43 43 ASN CB C 13 37.061 0.300 . 1 . . . . 43 ASN CB . 11221 1 462 . 1 1 43 43 ASN N N 15 127.854 0.300 . 1 . . . . 43 ASN N . 11221 1 463 . 1 1 43 43 ASN ND2 N 15 113.899 0.300 . 1 . . . . 43 ASN ND2 . 11221 1 464 . 1 1 44 44 GLY H H 1 9.278 0.030 . 1 . . . . 44 GLY H . 11221 1 465 . 1 1 44 44 GLY HA2 H 1 3.454 0.030 . 2 . . . . 44 GLY HA2 . 11221 1 466 . 1 1 44 44 GLY HA3 H 1 4.175 0.030 . 2 . . . . 44 GLY HA3 . 11221 1 467 . 1 1 44 44 GLY C C 13 173.431 0.300 . 1 . . . . 44 GLY C . 11221 1 468 . 1 1 44 44 GLY CA C 13 45.211 0.300 . 1 . . . . 44 GLY CA . 11221 1 469 . 1 1 44 44 GLY N N 15 103.282 0.300 . 1 . . . . 44 GLY N . 11221 1 470 . 1 1 45 45 GLU H H 1 7.868 0.030 . 1 . . . . 45 GLU H . 11221 1 471 . 1 1 45 45 GLU HA H 1 4.654 0.030 . 1 . . . . 45 GLU HA . 11221 1 472 . 1 1 45 45 GLU HB2 H 1 2.019 0.030 . 2 . . . . 45 GLU HB2 . 11221 1 473 . 1 1 45 45 GLU HB3 H 1 2.123 0.030 . 2 . . . . 45 GLU HB3 . 11221 1 474 . 1 1 45 45 GLU HG2 H 1 2.207 0.030 . 2 . . . . 45 GLU HG2 . 11221 1 475 . 1 1 45 45 GLU HG3 H 1 2.336 0.030 . 2 . . . . 45 GLU HG3 . 11221 1 476 . 1 1 45 45 GLU C C 13 175.286 0.300 . 1 . . . . 45 GLU C . 11221 1 477 . 1 1 45 45 GLU CA C 13 54.754 0.300 . 1 . . . . 45 GLU CA . 11221 1 478 . 1 1 45 45 GLU CB C 13 31.272 0.300 . 1 . . . . 45 GLU CB . 11221 1 479 . 1 1 45 45 GLU CG C 13 35.862 0.300 . 1 . . . . 45 GLU CG . 11221 1 480 . 1 1 45 45 GLU N N 15 121.827 0.300 . 1 . . . . 45 GLU N . 11221 1 481 . 1 1 46 46 GLU H H 1 8.806 0.030 . 1 . . . . 46 GLU H . 11221 1 482 . 1 1 46 46 GLU HA H 1 3.685 0.030 . 1 . . . . 46 GLU HA . 11221 1 483 . 1 1 46 46 GLU HB2 H 1 1.812 0.030 . 2 . . . . 46 GLU HB2 . 11221 1 484 . 1 1 46 46 GLU HB3 H 1 1.699 0.030 . 2 . . . . 46 GLU HB3 . 11221 1 485 . 1 1 46 46 GLU HG2 H 1 1.694 0.030 . 1 . . . . 46 GLU HG2 . 11221 1 486 . 1 1 46 46 GLU HG3 H 1 1.694 0.030 . 1 . . . . 46 GLU HG3 . 11221 1 487 . 1 1 46 46 GLU C C 13 176.371 0.300 . 1 . . . . 46 GLU C . 11221 1 488 . 1 1 46 46 GLU CA C 13 56.689 0.300 . 1 . . . . 46 GLU CA . 11221 1 489 . 1 1 46 46 GLU CB C 13 30.094 0.300 . 1 . . . . 46 GLU CB . 11221 1 490 . 1 1 46 46 GLU CG C 13 35.569 0.300 . 1 . . . . 46 GLU CG . 11221 1 491 . 1 1 46 46 GLU N N 15 126.784 0.300 . 1 . . . . 46 GLU N . 11221 1 492 . 1 1 47 47 LEU H H 1 8.565 0.030 . 1 . . . . 47 LEU H . 11221 1 493 . 1 1 47 47 LEU HA H 1 4.370 0.030 . 1 . . . . 47 LEU HA . 11221 1 494 . 1 1 47 47 LEU HB2 H 1 1.444 0.030 . 2 . . . . 47 LEU HB2 . 11221 1 495 . 1 1 47 47 LEU HB3 H 1 0.763 0.030 . 2 . . . . 47 LEU HB3 . 11221 1 496 . 1 1 47 47 LEU HD11 H 1 0.161 0.030 . 1 . . . . 47 LEU HD1 . 11221 1 497 . 1 1 47 47 LEU HD12 H 1 0.161 0.030 . 1 . . . . 47 LEU HD1 . 11221 1 498 . 1 1 47 47 LEU HD13 H 1 0.161 0.030 . 1 . . . . 47 LEU HD1 . 11221 1 499 . 1 1 47 47 LEU HD21 H 1 0.318 0.030 . 1 . . . . 47 LEU HD2 . 11221 1 500 . 1 1 47 47 LEU HD22 H 1 0.318 0.030 . 1 . . . . 47 LEU HD2 . 11221 1 501 . 1 1 47 47 LEU HD23 H 1 0.318 0.030 . 1 . . . . 47 LEU HD2 . 11221 1 502 . 1 1 47 47 LEU HG H 1 1.277 0.030 . 1 . . . . 47 LEU HG . 11221 1 503 . 1 1 47 47 LEU C C 13 176.085 0.300 . 1 . . . . 47 LEU C . 11221 1 504 . 1 1 47 47 LEU CA C 13 53.327 0.300 . 1 . . . . 47 LEU CA . 11221 1 505 . 1 1 47 47 LEU CB C 13 40.952 0.300 . 1 . . . . 47 LEU CB . 11221 1 506 . 1 1 47 47 LEU CD1 C 13 25.819 0.300 . 2 . . . . 47 LEU CD1 . 11221 1 507 . 1 1 47 47 LEU CD2 C 13 21.396 0.300 . 2 . . . . 47 LEU CD2 . 11221 1 508 . 1 1 47 47 LEU CG C 13 25.780 0.300 . 1 . . . . 47 LEU CG . 11221 1 509 . 1 1 47 47 LEU N N 15 128.611 0.300 . 1 . . . . 47 LEU N . 11221 1 510 . 1 1 48 48 LYS H H 1 8.265 0.030 . 1 . . . . 48 LYS H . 11221 1 511 . 1 1 48 48 LYS HA H 1 4.456 0.030 . 1 . . . . 48 LYS HA . 11221 1 512 . 1 1 48 48 LYS HB2 H 1 1.812 0.030 . 2 . . . . 48 LYS HB2 . 11221 1 513 . 1 1 48 48 LYS HB3 H 1 1.935 0.030 . 2 . . . . 48 LYS HB3 . 11221 1 514 . 1 1 48 48 LYS HD2 H 1 1.693 0.030 . 1 . . . . 48 LYS HD2 . 11221 1 515 . 1 1 48 48 LYS HD3 H 1 1.693 0.030 . 1 . . . . 48 LYS HD3 . 11221 1 516 . 1 1 48 48 LYS HE2 H 1 2.998 0.030 . 1 . . . . 48 LYS HE2 . 11221 1 517 . 1 1 48 48 LYS HE3 H 1 2.998 0.030 . 1 . . . . 48 LYS HE3 . 11221 1 518 . 1 1 48 48 LYS HG2 H 1 1.434 0.030 . 2 . . . . 48 LYS HG2 . 11221 1 519 . 1 1 48 48 LYS HG3 H 1 1.490 0.030 . 2 . . . . 48 LYS HG3 . 11221 1 520 . 1 1 48 48 LYS C C 13 177.423 0.300 . 1 . . . . 48 LYS C . 11221 1 521 . 1 1 48 48 LYS CA C 13 55.957 0.300 . 1 . . . . 48 LYS CA . 11221 1 522 . 1 1 48 48 LYS CB C 13 33.487 0.300 . 1 . . . . 48 LYS CB . 11221 1 523 . 1 1 48 48 LYS CD C 13 28.896 0.300 . 1 . . . . 48 LYS CD . 11221 1 524 . 1 1 48 48 LYS CE C 13 42.087 0.300 . 1 . . . . 48 LYS CE . 11221 1 525 . 1 1 48 48 LYS CG C 13 24.946 0.300 . 1 . . . . 48 LYS CG . 11221 1 526 . 1 1 48 48 LYS N N 15 122.430 0.300 . 1 . . . . 48 LYS N . 11221 1 527 . 1 1 49 49 SER H H 1 8.791 0.030 . 1 . . . . 49 SER H . 11221 1 528 . 1 1 49 49 SER HA H 1 4.539 0.030 . 1 . . . . 49 SER HA . 11221 1 529 . 1 1 49 49 SER HB2 H 1 4.047 0.030 . 2 . . . . 49 SER HB2 . 11221 1 530 . 1 1 49 49 SER HB3 H 1 3.973 0.030 . 2 . . . . 49 SER HB3 . 11221 1 531 . 1 1 49 49 SER C C 13 174.271 0.300 . 1 . . . . 49 SER C . 11221 1 532 . 1 1 49 49 SER CA C 13 58.997 0.300 . 1 . . . . 49 SER CA . 11221 1 533 . 1 1 49 49 SER CB C 13 63.802 0.300 . 1 . . . . 49 SER CB . 11221 1 534 . 1 1 50 50 ASN H H 1 8.449 0.030 . 1 . . . . 50 ASN H . 11221 1 535 . 1 1 50 50 ASN HA H 1 4.779 0.030 . 1 . . . . 50 ASN HA . 11221 1 536 . 1 1 50 50 ASN HB2 H 1 2.838 0.030 . 2 . . . . 50 ASN HB2 . 11221 1 537 . 1 1 50 50 ASN HB3 H 1 2.796 0.030 . 2 . . . . 50 ASN HB3 . 11221 1 538 . 1 1 50 50 ASN HD21 H 1 7.568 0.030 . 2 . . . . 50 ASN HD21 . 11221 1 539 . 1 1 50 50 ASN HD22 H 1 6.859 0.030 . 2 . . . . 50 ASN HD22 . 11221 1 540 . 1 1 50 50 ASN C C 13 174.607 0.300 . 1 . . . . 50 ASN C . 11221 1 541 . 1 1 50 50 ASN CA C 13 53.525 0.300 . 1 . . . . 50 ASN CA . 11221 1 542 . 1 1 50 50 ASN CB C 13 39.011 0.300 . 1 . . . . 50 ASN CB . 11221 1 543 . 1 1 50 50 ASN N N 15 120.303 0.300 . 1 . . . . 50 ASN N . 11221 1 544 . 1 1 50 50 ASN ND2 N 15 112.716 0.300 . 1 . . . . 50 ASN ND2 . 11221 1 545 . 1 1 51 51 GLU H H 1 8.357 0.030 . 1 . . . . 51 GLU H . 11221 1 546 . 1 1 51 51 GLU HA H 1 4.608 0.030 . 1 . . . . 51 GLU HA . 11221 1 547 . 1 1 51 51 GLU HB2 H 1 1.880 0.030 . 2 . . . . 51 GLU HB2 . 11221 1 548 . 1 1 51 51 GLU HB3 H 1 2.072 0.030 . 2 . . . . 51 GLU HB3 . 11221 1 549 . 1 1 51 51 GLU HG2 H 1 2.296 0.030 . 1 . . . . 51 GLU HG2 . 11221 1 550 . 1 1 51 51 GLU HG3 H 1 2.296 0.030 . 1 . . . . 51 GLU HG3 . 11221 1 551 . 1 1 51 51 GLU C C 13 174.746 0.300 . 1 . . . . 51 GLU C . 11221 1 552 . 1 1 51 51 GLU CA C 13 54.586 0.300 . 1 . . . . 51 GLU CA . 11221 1 553 . 1 1 51 51 GLU CB C 13 29.771 0.300 . 1 . . . . 51 GLU CB . 11221 1 554 . 1 1 51 51 GLU CG C 13 35.919 0.300 . 1 . . . . 51 GLU CG . 11221 1 555 . 1 1 51 51 GLU N N 15 121.316 0.300 . 1 . . . . 51 GLU N . 11221 1 556 . 1 1 52 52 PRO HA H 1 4.384 0.030 . 1 . . . . 52 PRO HA . 11221 1 557 . 1 1 52 52 PRO HB2 H 1 1.927 0.030 . 2 . . . . 52 PRO HB2 . 11221 1 558 . 1 1 52 52 PRO HB3 H 1 2.315 0.030 . 2 . . . . 52 PRO HB3 . 11221 1 559 . 1 1 52 52 PRO HD2 H 1 3.727 0.030 . 2 . . . . 52 PRO HD2 . 11221 1 560 . 1 1 52 52 PRO HD3 H 1 3.871 0.030 . 2 . . . . 52 PRO HD3 . 11221 1 561 . 1 1 52 52 PRO HG2 H 1 2.019 0.030 . 2 . . . . 52 PRO HG2 . 11221 1 562 . 1 1 52 52 PRO HG3 H 1 2.120 0.030 . 2 . . . . 52 PRO HG3 . 11221 1 563 . 1 1 52 52 PRO C C 13 177.075 0.300 . 1 . . . . 52 PRO C . 11221 1 564 . 1 1 52 52 PRO CA C 13 63.736 0.300 . 1 . . . . 52 PRO CA . 11221 1 565 . 1 1 52 52 PRO CB C 13 32.021 0.300 . 1 . . . . 52 PRO CB . 11221 1 566 . 1 1 52 52 PRO CD C 13 50.577 0.300 . 1 . . . . 52 PRO CD . 11221 1 567 . 1 1 52 52 PRO CG C 13 27.617 0.300 . 1 . . . . 52 PRO CG . 11221 1 568 . 1 1 53 53 GLU H H 1 8.488 0.030 . 1 . . . . 53 GLU H . 11221 1 569 . 1 1 53 53 GLU HA H 1 4.308 0.030 . 1 . . . . 53 GLU HA . 11221 1 570 . 1 1 53 53 GLU HB2 H 1 1.955 0.030 . 2 . . . . 53 GLU HB2 . 11221 1 571 . 1 1 53 53 GLU HB3 H 1 2.060 0.030 . 2 . . . . 53 GLU HB3 . 11221 1 572 . 1 1 53 53 GLU HG2 H 1 2.258 0.030 . 2 . . . . 53 GLU HG2 . 11221 1 573 . 1 1 53 53 GLU HG3 H 1 2.283 0.030 . 2 . . . . 53 GLU HG3 . 11221 1 574 . 1 1 53 53 GLU C C 13 176.967 0.300 . 1 . . . . 53 GLU C . 11221 1 575 . 1 1 53 53 GLU CA C 13 56.669 0.300 . 1 . . . . 53 GLU CA . 11221 1 576 . 1 1 53 53 GLU CB C 13 30.086 0.300 . 1 . . . . 53 GLU CB . 11221 1 577 . 1 1 53 53 GLU CG C 13 36.353 0.300 . 1 . . . . 53 GLU CG . 11221 1 578 . 1 1 53 53 GLU N N 15 120.045 0.300 . 1 . . . . 53 GLU N . 11221 1 579 . 1 1 54 54 GLY H H 1 8.273 0.030 . 1 . . . . 54 GLY H . 11221 1 580 . 1 1 54 54 GLY HA2 H 1 3.964 0.030 . 2 . . . . 54 GLY HA2 . 11221 1 581 . 1 1 54 54 GLY HA3 H 1 3.903 0.030 . 2 . . . . 54 GLY HA3 . 11221 1 582 . 1 1 54 54 GLY C C 13 173.750 0.300 . 1 . . . . 54 GLY C . 11221 1 583 . 1 1 54 54 GLY CA C 13 45.252 0.300 . 1 . . . . 54 GLY CA . 11221 1 584 . 1 1 54 54 GLY N N 15 109.440 0.300 . 1 . . . . 54 GLY N . 11221 1 585 . 1 1 55 55 GLN H H 1 8.196 0.030 . 1 . . . . 55 GLN H . 11221 1 586 . 1 1 55 55 GLN HA H 1 4.415 0.030 . 1 . . . . 55 GLN HA . 11221 1 587 . 1 1 55 55 GLN HB2 H 1 1.950 0.030 . 2 . . . . 55 GLN HB2 . 11221 1 588 . 1 1 55 55 GLN HB3 H 1 2.080 0.030 . 2 . . . . 55 GLN HB3 . 11221 1 589 . 1 1 55 55 GLN HE21 H 1 7.581 0.030 . 2 . . . . 55 GLN HE21 . 11221 1 590 . 1 1 55 55 GLN HE22 H 1 6.844 0.030 . 2 . . . . 55 GLN HE22 . 11221 1 591 . 1 1 55 55 GLN HG2 H 1 2.313 0.030 . 1 . . . . 55 GLN HG2 . 11221 1 592 . 1 1 55 55 GLN HG3 H 1 2.313 0.030 . 1 . . . . 55 GLN HG3 . 11221 1 593 . 1 1 55 55 GLN C C 13 175.829 0.300 . 1 . . . . 55 GLN C . 11221 1 594 . 1 1 55 55 GLN CA C 13 55.550 0.300 . 1 . . . . 55 GLN CA . 11221 1 595 . 1 1 55 55 GLN CB C 13 29.487 0.300 . 1 . . . . 55 GLN CB . 11221 1 596 . 1 1 55 55 GLN CG C 13 33.782 0.300 . 1 . . . . 55 GLN CG . 11221 1 597 . 1 1 55 55 GLN N N 15 120.055 0.300 . 1 . . . . 55 GLN N . 11221 1 598 . 1 1 55 55 GLN NE2 N 15 112.539 0.300 . 1 . . . . 55 GLN NE2 . 11221 1 599 . 1 1 56 56 VAL H H 1 8.205 0.030 . 1 . . . . 56 VAL H . 11221 1 600 . 1 1 56 56 VAL HA H 1 4.157 0.030 . 1 . . . . 56 VAL HA . 11221 1 601 . 1 1 56 56 VAL HB H 1 2.061 0.030 . 1 . . . . 56 VAL HB . 11221 1 602 . 1 1 56 56 VAL HG11 H 1 0.913 0.030 . 1 . . . . 56 VAL HG1 . 11221 1 603 . 1 1 56 56 VAL HG12 H 1 0.913 0.030 . 1 . . . . 56 VAL HG1 . 11221 1 604 . 1 1 56 56 VAL HG13 H 1 0.913 0.030 . 1 . . . . 56 VAL HG1 . 11221 1 605 . 1 1 56 56 VAL HG21 H 1 0.908 0.030 . 1 . . . . 56 VAL HG2 . 11221 1 606 . 1 1 56 56 VAL HG22 H 1 0.908 0.030 . 1 . . . . 56 VAL HG2 . 11221 1 607 . 1 1 56 56 VAL HG23 H 1 0.908 0.030 . 1 . . . . 56 VAL HG2 . 11221 1 608 . 1 1 56 56 VAL C C 13 175.977 0.300 . 1 . . . . 56 VAL C . 11221 1 609 . 1 1 56 56 VAL CA C 13 62.013 0.300 . 1 . . . . 56 VAL CA . 11221 1 610 . 1 1 56 56 VAL CB C 13 33.027 0.300 . 1 . . . . 56 VAL CB . 11221 1 611 . 1 1 56 56 VAL CG1 C 13 21.344 0.300 . 2 . . . . 56 VAL CG1 . 11221 1 612 . 1 1 56 56 VAL CG2 C 13 20.431 0.300 . 2 . . . . 56 VAL CG2 . 11221 1 613 . 1 1 56 56 VAL N N 15 121.481 0.300 . 1 . . . . 56 VAL N . 11221 1 614 . 1 1 57 57 GLU H H 1 8.472 0.030 . 1 . . . . 57 GLU H . 11221 1 615 . 1 1 57 57 GLU HA H 1 4.575 0.030 . 1 . . . . 57 GLU HA . 11221 1 616 . 1 1 57 57 GLU HB2 H 1 1.911 0.030 . 2 . . . . 57 GLU HB2 . 11221 1 617 . 1 1 57 57 GLU HB3 H 1 2.068 0.030 . 2 . . . . 57 GLU HB3 . 11221 1 618 . 1 1 57 57 GLU HG2 H 1 2.299 0.030 . 1 . . . . 57 GLU HG2 . 11221 1 619 . 1 1 57 57 GLU HG3 H 1 2.299 0.030 . 1 . . . . 57 GLU HG3 . 11221 1 620 . 1 1 57 57 GLU C C 13 174.656 0.300 . 1 . . . . 57 GLU C . 11221 1 621 . 1 1 57 57 GLU CA C 13 54.586 0.300 . 1 . . . . 57 GLU CA . 11221 1 622 . 1 1 57 57 GLU CB C 13 29.472 0.300 . 1 . . . . 57 GLU CB . 11221 1 623 . 1 1 57 57 GLU CG C 13 35.983 0.300 . 1 . . . . 57 GLU CG . 11221 1 624 . 1 1 57 57 GLU N N 15 125.628 0.300 . 1 . . . . 57 GLU N . 11221 1 625 . 1 1 58 58 PRO HA H 1 4.338 0.030 . 1 . . . . 58 PRO HA . 11221 1 626 . 1 1 58 58 PRO HB2 H 1 1.930 0.030 . 2 . . . . 58 PRO HB2 . 11221 1 627 . 1 1 58 58 PRO HB3 H 1 2.298 0.030 . 2 . . . . 58 PRO HB3 . 11221 1 628 . 1 1 58 58 PRO HD2 H 1 3.872 0.030 . 2 . . . . 58 PRO HD2 . 11221 1 629 . 1 1 58 58 PRO HD3 H 1 3.731 0.030 . 2 . . . . 58 PRO HD3 . 11221 1 630 . 1 1 58 58 PRO HG2 H 1 2.010 0.030 . 1 . . . . 58 PRO HG2 . 11221 1 631 . 1 1 58 58 PRO HG3 H 1 2.010 0.030 . 1 . . . . 58 PRO HG3 . 11221 1 632 . 1 1 58 58 PRO C C 13 177.902 0.300 . 1 . . . . 58 PRO C . 11221 1 633 . 1 1 58 58 PRO CA C 13 64.093 0.300 . 1 . . . . 58 PRO CA . 11221 1 634 . 1 1 58 58 PRO CB C 13 31.751 0.300 . 1 . . . . 58 PRO CB . 11221 1 635 . 1 1 58 58 PRO CD C 13 50.603 0.300 . 1 . . . . 58 PRO CD . 11221 1 636 . 1 1 58 58 PRO CG C 13 27.600 0.300 . 1 . . . . 58 PRO CG . 11221 1 637 . 1 1 59 59 GLY H H 1 8.605 0.030 . 1 . . . . 59 GLY H . 11221 1 638 . 1 1 59 59 GLY HA2 H 1 4.034 0.030 . 2 . . . . 59 GLY HA2 . 11221 1 639 . 1 1 59 59 GLY HA3 H 1 3.847 0.030 . 2 . . . . 59 GLY HA3 . 11221 1 640 . 1 1 59 59 GLY C C 13 173.961 0.300 . 1 . . . . 59 GLY C . 11221 1 641 . 1 1 59 59 GLY CA C 13 45.245 0.300 . 1 . . . . 59 GLY CA . 11221 1 642 . 1 1 59 59 GLY N N 15 110.490 0.300 . 1 . . . . 59 GLY N . 11221 1 643 . 1 1 60 60 ALA H H 1 7.801 0.030 . 1 . . . . 60 ALA H . 11221 1 644 . 1 1 60 60 ALA HA H 1 4.352 0.030 . 1 . . . . 60 ALA HA . 11221 1 645 . 1 1 60 60 ALA HB1 H 1 1.444 0.030 . 1 . . . . 60 ALA HB . 11221 1 646 . 1 1 60 60 ALA HB2 H 1 1.444 0.030 . 1 . . . . 60 ALA HB . 11221 1 647 . 1 1 60 60 ALA HB3 H 1 1.444 0.030 . 1 . . . . 60 ALA HB . 11221 1 648 . 1 1 60 60 ALA C C 13 177.391 0.300 . 1 . . . . 60 ALA C . 11221 1 649 . 1 1 60 60 ALA CA C 13 52.119 0.300 . 1 . . . . 60 ALA CA . 11221 1 650 . 1 1 60 60 ALA CB C 13 19.780 0.300 . 1 . . . . 60 ALA CB . 11221 1 651 . 1 1 60 60 ALA N N 15 123.239 0.300 . 1 . . . . 60 ALA N . 11221 1 652 . 1 1 61 61 LEU H H 1 8.106 0.030 . 1 . . . . 61 LEU H . 11221 1 653 . 1 1 61 61 LEU HA H 1 4.352 0.030 . 1 . . . . 61 LEU HA . 11221 1 654 . 1 1 61 61 LEU HB2 H 1 1.619 0.030 . 1 . . . . 61 LEU HB2 . 11221 1 655 . 1 1 61 61 LEU HB3 H 1 1.619 0.030 . 1 . . . . 61 LEU HB3 . 11221 1 656 . 1 1 61 61 LEU HD11 H 1 0.861 0.030 . 1 . . . . 61 LEU HD1 . 11221 1 657 . 1 1 61 61 LEU HD12 H 1 0.861 0.030 . 1 . . . . 61 LEU HD1 . 11221 1 658 . 1 1 61 61 LEU HD13 H 1 0.861 0.030 . 1 . . . . 61 LEU HD1 . 11221 1 659 . 1 1 61 61 LEU HD21 H 1 0.929 0.030 . 1 . . . . 61 LEU HD2 . 11221 1 660 . 1 1 61 61 LEU HD22 H 1 0.929 0.030 . 1 . . . . 61 LEU HD2 . 11221 1 661 . 1 1 61 61 LEU HD23 H 1 0.929 0.030 . 1 . . . . 61 LEU HD2 . 11221 1 662 . 1 1 61 61 LEU HG H 1 1.634 0.030 . 1 . . . . 61 LEU HG . 11221 1 663 . 1 1 61 61 LEU C C 13 176.703 0.300 . 1 . . . . 61 LEU C . 11221 1 664 . 1 1 61 61 LEU CA C 13 55.414 0.300 . 1 . . . . 61 LEU CA . 11221 1 665 . 1 1 61 61 LEU CB C 13 42.651 0.300 . 1 . . . . 61 LEU CB . 11221 1 666 . 1 1 61 61 LEU CD1 C 13 25.198 0.300 . 2 . . . . 61 LEU CD1 . 11221 1 667 . 1 1 61 61 LEU CD2 C 13 24.640 0.300 . 2 . . . . 61 LEU CD2 . 11221 1 668 . 1 1 61 61 LEU CG C 13 27.211 0.300 . 1 . . . . 61 LEU CG . 11221 1 669 . 1 1 61 61 LEU N N 15 121.715 0.300 . 1 . . . . 61 LEU N . 11221 1 670 . 1 1 62 62 ARG H H 1 8.996 0.030 . 1 . . . . 62 ARG H . 11221 1 671 . 1 1 62 62 ARG HA H 1 4.574 0.030 . 1 . . . . 62 ARG HA . 11221 1 672 . 1 1 62 62 ARG HB2 H 1 1.873 0.030 . 2 . . . . 62 ARG HB2 . 11221 1 673 . 1 1 62 62 ARG HB3 H 1 1.946 0.030 . 2 . . . . 62 ARG HB3 . 11221 1 674 . 1 1 62 62 ARG HD2 H 1 3.199 0.030 . 1 . . . . 62 ARG HD2 . 11221 1 675 . 1 1 62 62 ARG HD3 H 1 3.199 0.030 . 1 . . . . 62 ARG HD3 . 11221 1 676 . 1 1 62 62 ARG HG2 H 1 1.779 0.030 . 2 . . . . 62 ARG HG2 . 11221 1 677 . 1 1 62 62 ARG HG3 H 1 1.609 0.030 . 2 . . . . 62 ARG HG3 . 11221 1 678 . 1 1 62 62 ARG C C 13 174.883 0.300 . 1 . . . . 62 ARG C . 11221 1 679 . 1 1 62 62 ARG CA C 13 55.686 0.300 . 1 . . . . 62 ARG CA . 11221 1 680 . 1 1 62 62 ARG CB C 13 31.422 0.300 . 1 . . . . 62 ARG CB . 11221 1 681 . 1 1 62 62 ARG CD C 13 43.306 0.300 . 1 . . . . 62 ARG CD . 11221 1 682 . 1 1 62 62 ARG CG C 13 27.552 0.300 . 1 . . . . 62 ARG CG . 11221 1 683 . 1 1 62 62 ARG N N 15 125.375 0.300 . 1 . . . . 62 ARG N . 11221 1 684 . 1 1 63 63 TYR H H 1 7.646 0.030 . 1 . . . . 63 TYR H . 11221 1 685 . 1 1 63 63 TYR HA H 1 5.524 0.030 . 1 . . . . 63 TYR HA . 11221 1 686 . 1 1 63 63 TYR HB2 H 1 2.830 0.030 . 2 . . . . 63 TYR HB2 . 11221 1 687 . 1 1 63 63 TYR HB3 H 1 2.795 0.030 . 2 . . . . 63 TYR HB3 . 11221 1 688 . 1 1 63 63 TYR HD1 H 1 6.655 0.030 . 1 . . . . 63 TYR HD1 . 11221 1 689 . 1 1 63 63 TYR HD2 H 1 6.655 0.030 . 1 . . . . 63 TYR HD2 . 11221 1 690 . 1 1 63 63 TYR HE1 H 1 6.782 0.030 . 1 . . . . 63 TYR HE1 . 11221 1 691 . 1 1 63 63 TYR HE2 H 1 6.782 0.030 . 1 . . . . 63 TYR HE2 . 11221 1 692 . 1 1 63 63 TYR C C 13 173.589 0.300 . 1 . . . . 63 TYR C . 11221 1 693 . 1 1 63 63 TYR CA C 13 55.353 0.300 . 1 . . . . 63 TYR CA . 11221 1 694 . 1 1 63 63 TYR CB C 13 41.966 0.300 . 1 . . . . 63 TYR CB . 11221 1 695 . 1 1 63 63 TYR CD1 C 13 132.916 0.300 . 1 . . . . 63 TYR CD1 . 11221 1 696 . 1 1 63 63 TYR CD2 C 13 132.916 0.300 . 1 . . . . 63 TYR CD2 . 11221 1 697 . 1 1 63 63 TYR CE1 C 13 117.923 0.300 . 1 . . . . 63 TYR CE1 . 11221 1 698 . 1 1 63 63 TYR CE2 C 13 117.923 0.300 . 1 . . . . 63 TYR CE2 . 11221 1 699 . 1 1 63 63 TYR N N 15 117.568 0.300 . 1 . . . . 63 TYR N . 11221 1 700 . 1 1 64 64 ARG H H 1 9.157 0.030 . 1 . . . . 64 ARG H . 11221 1 701 . 1 1 64 64 ARG HA H 1 4.676 0.030 . 1 . . . . 64 ARG HA . 11221 1 702 . 1 1 64 64 ARG HB2 H 1 1.818 0.030 . 2 . . . . 64 ARG HB2 . 11221 1 703 . 1 1 64 64 ARG HB3 H 1 1.729 0.030 . 2 . . . . 64 ARG HB3 . 11221 1 704 . 1 1 64 64 ARG HD2 H 1 3.231 0.030 . 2 . . . . 64 ARG HD2 . 11221 1 705 . 1 1 64 64 ARG HD3 H 1 3.281 0.030 . 2 . . . . 64 ARG HD3 . 11221 1 706 . 1 1 64 64 ARG HG2 H 1 1.434 0.030 . 2 . . . . 64 ARG HG2 . 11221 1 707 . 1 1 64 64 ARG HG3 H 1 1.641 0.030 . 2 . . . . 64 ARG HG3 . 11221 1 708 . 1 1 64 64 ARG C C 13 173.648 0.300 . 1 . . . . 64 ARG C . 11221 1 709 . 1 1 64 64 ARG CA C 13 55.418 0.300 . 1 . . . . 64 ARG CA . 11221 1 710 . 1 1 64 64 ARG CB C 13 34.388 0.300 . 1 . . . . 64 ARG CB . 11221 1 711 . 1 1 64 64 ARG CD C 13 43.369 0.300 . 1 . . . . 64 ARG CD . 11221 1 712 . 1 1 64 64 ARG CG C 13 28.136 0.300 . 1 . . . . 64 ARG CG . 11221 1 713 . 1 1 64 64 ARG N N 15 120.119 0.300 . 1 . . . . 64 ARG N . 11221 1 714 . 1 1 65 65 ILE H H 1 8.836 0.030 . 1 . . . . 65 ILE H . 11221 1 715 . 1 1 65 65 ILE HA H 1 4.528 0.030 . 1 . . . . 65 ILE HA . 11221 1 716 . 1 1 65 65 ILE HB H 1 1.678 0.030 . 1 . . . . 65 ILE HB . 11221 1 717 . 1 1 65 65 ILE HD11 H 1 0.973 0.030 . 1 . . . . 65 ILE HD1 . 11221 1 718 . 1 1 65 65 ILE HD12 H 1 0.973 0.030 . 1 . . . . 65 ILE HD1 . 11221 1 719 . 1 1 65 65 ILE HD13 H 1 0.973 0.030 . 1 . . . . 65 ILE HD1 . 11221 1 720 . 1 1 65 65 ILE HG12 H 1 1.545 0.030 . 2 . . . . 65 ILE HG12 . 11221 1 721 . 1 1 65 65 ILE HG13 H 1 0.705 0.030 . 2 . . . . 65 ILE HG13 . 11221 1 722 . 1 1 65 65 ILE HG21 H 1 1.177 0.030 . 1 . . . . 65 ILE HG2 . 11221 1 723 . 1 1 65 65 ILE HG22 H 1 1.177 0.030 . 1 . . . . 65 ILE HG2 . 11221 1 724 . 1 1 65 65 ILE HG23 H 1 1.177 0.030 . 1 . . . . 65 ILE HG2 . 11221 1 725 . 1 1 65 65 ILE C C 13 175.887 0.300 . 1 . . . . 65 ILE C . 11221 1 726 . 1 1 65 65 ILE CA C 13 60.827 0.300 . 1 . . . . 65 ILE CA . 11221 1 727 . 1 1 65 65 ILE CB C 13 40.744 0.300 . 1 . . . . 65 ILE CB . 11221 1 728 . 1 1 65 65 ILE CD1 C 13 14.939 0.300 . 1 . . . . 65 ILE CD1 . 11221 1 729 . 1 1 65 65 ILE CG1 C 13 29.311 0.300 . 1 . . . . 65 ILE CG1 . 11221 1 730 . 1 1 65 65 ILE CG2 C 13 18.961 0.300 . 1 . . . . 65 ILE CG2 . 11221 1 731 . 1 1 65 65 ILE N N 15 126.252 0.300 . 1 . . . . 65 ILE N . 11221 1 732 . 1 1 66 66 GLU H H 1 9.451 0.030 . 1 . . . . 66 GLU H . 11221 1 733 . 1 1 66 66 GLU HA H 1 4.923 0.030 . 1 . . . . 66 GLU HA . 11221 1 734 . 1 1 66 66 GLU HB2 H 1 1.925 0.030 . 2 . . . . 66 GLU HB2 . 11221 1 735 . 1 1 66 66 GLU HB3 H 1 1.858 0.030 . 2 . . . . 66 GLU HB3 . 11221 1 736 . 1 1 66 66 GLU HG2 H 1 2.022 0.030 . 2 . . . . 66 GLU HG2 . 11221 1 737 . 1 1 66 66 GLU HG3 H 1 2.122 0.030 . 2 . . . . 66 GLU HG3 . 11221 1 738 . 1 1 66 66 GLU C C 13 176.138 0.300 . 1 . . . . 66 GLU C . 11221 1 739 . 1 1 66 66 GLU CA C 13 54.319 0.300 . 1 . . . . 66 GLU CA . 11221 1 740 . 1 1 66 66 GLU CB C 13 34.689 0.300 . 1 . . . . 66 GLU CB . 11221 1 741 . 1 1 66 66 GLU CG C 13 36.194 0.300 . 1 . . . . 66 GLU CG . 11221 1 742 . 1 1 66 66 GLU N N 15 125.425 0.300 . 1 . . . . 66 GLU N . 11221 1 743 . 1 1 67 67 GLN H H 1 8.916 0.030 . 1 . . . . 67 GLN H . 11221 1 744 . 1 1 67 67 GLN HA H 1 4.674 0.030 . 1 . . . . 67 GLN HA . 11221 1 745 . 1 1 67 67 GLN HB2 H 1 1.878 0.030 . 2 . . . . 67 GLN HB2 . 11221 1 746 . 1 1 67 67 GLN HB3 H 1 2.008 0.030 . 2 . . . . 67 GLN HB3 . 11221 1 747 . 1 1 67 67 GLN HE21 H 1 7.386 0.030 . 2 . . . . 67 GLN HE21 . 11221 1 748 . 1 1 67 67 GLN HE22 H 1 6.445 0.030 . 2 . . . . 67 GLN HE22 . 11221 1 749 . 1 1 67 67 GLN HG2 H 1 2.051 0.030 . 2 . . . . 67 GLN HG2 . 11221 1 750 . 1 1 67 67 GLN HG3 H 1 1.610 0.030 . 2 . . . . 67 GLN HG3 . 11221 1 751 . 1 1 67 67 GLN C C 13 174.121 0.300 . 1 . . . . 67 GLN C . 11221 1 752 . 1 1 67 67 GLN CA C 13 55.797 0.300 . 1 . . . . 67 GLN CA . 11221 1 753 . 1 1 67 67 GLN CB C 13 30.267 0.300 . 1 . . . . 67 GLN CB . 11221 1 754 . 1 1 67 67 GLN CG C 13 32.970 0.300 . 1 . . . . 67 GLN CG . 11221 1 755 . 1 1 67 67 GLN N N 15 125.640 0.300 . 1 . . . . 67 GLN N . 11221 1 756 . 1 1 67 67 GLN NE2 N 15 110.451 0.300 . 1 . . . . 67 GLN NE2 . 11221 1 757 . 1 1 68 68 LYS H H 1 8.911 0.030 . 1 . . . . 68 LYS H . 11221 1 758 . 1 1 68 68 LYS HA H 1 4.578 0.030 . 1 . . . . 68 LYS HA . 11221 1 759 . 1 1 68 68 LYS HB2 H 1 1.605 0.030 . 2 . . . . 68 LYS HB2 . 11221 1 760 . 1 1 68 68 LYS HB3 H 1 1.797 0.030 . 2 . . . . 68 LYS HB3 . 11221 1 761 . 1 1 68 68 LYS HD2 H 1 1.651 0.030 . 1 . . . . 68 LYS HD2 . 11221 1 762 . 1 1 68 68 LYS HD3 H 1 1.651 0.030 . 1 . . . . 68 LYS HD3 . 11221 1 763 . 1 1 68 68 LYS HE2 H 1 2.930 0.030 . 1 . . . . 68 LYS HE2 . 11221 1 764 . 1 1 68 68 LYS HE3 H 1 2.930 0.030 . 1 . . . . 68 LYS HE3 . 11221 1 765 . 1 1 68 68 LYS HG2 H 1 1.287 0.030 . 1 . . . . 68 LYS HG2 . 11221 1 766 . 1 1 68 68 LYS HG3 H 1 1.287 0.030 . 1 . . . . 68 LYS HG3 . 11221 1 767 . 1 1 68 68 LYS C C 13 176.548 0.300 . 1 . . . . 68 LYS C . 11221 1 768 . 1 1 68 68 LYS CA C 13 54.129 0.300 . 1 . . . . 68 LYS CA . 11221 1 769 . 1 1 68 68 LYS CB C 13 32.780 0.300 . 1 . . . . 68 LYS CB . 11221 1 770 . 1 1 68 68 LYS CD C 13 29.129 0.300 . 1 . . . . 68 LYS CD . 11221 1 771 . 1 1 68 68 LYS CE C 13 42.119 0.300 . 1 . . . . 68 LYS CE . 11221 1 772 . 1 1 68 68 LYS CG C 13 24.444 0.300 . 1 . . . . 68 LYS CG . 11221 1 773 . 1 1 68 68 LYS N N 15 129.550 0.300 . 1 . . . . 68 LYS N . 11221 1 774 . 1 1 69 69 GLY H H 1 8.789 0.030 . 1 . . . . 69 GLY H . 11221 1 775 . 1 1 69 69 GLY HA2 H 1 4.089 0.030 . 2 . . . . 69 GLY HA2 . 11221 1 776 . 1 1 69 69 GLY HA3 H 1 3.437 0.030 . 2 . . . . 69 GLY HA3 . 11221 1 777 . 1 1 69 69 GLY C C 13 174.343 0.300 . 1 . . . . 69 GLY C . 11221 1 778 . 1 1 69 69 GLY CA C 13 47.638 0.300 . 1 . . . . 69 GLY CA . 11221 1 779 . 1 1 69 69 GLY N N 15 113.965 0.300 . 1 . . . . 69 GLY N . 11221 1 780 . 1 1 70 70 LEU H H 1 8.929 0.030 . 1 . . . . 70 LEU H . 11221 1 781 . 1 1 70 70 LEU HA H 1 3.907 0.030 . 1 . . . . 70 LEU HA . 11221 1 782 . 1 1 70 70 LEU HB2 H 1 2.252 0.030 . 2 . . . . 70 LEU HB2 . 11221 1 783 . 1 1 70 70 LEU HB3 H 1 1.691 0.030 . 2 . . . . 70 LEU HB3 . 11221 1 784 . 1 1 70 70 LEU HD11 H 1 0.953 0.030 . 1 . . . . 70 LEU HD1 . 11221 1 785 . 1 1 70 70 LEU HD12 H 1 0.953 0.030 . 1 . . . . 70 LEU HD1 . 11221 1 786 . 1 1 70 70 LEU HD13 H 1 0.953 0.030 . 1 . . . . 70 LEU HD1 . 11221 1 787 . 1 1 70 70 LEU HD21 H 1 0.613 0.030 . 1 . . . . 70 LEU HD2 . 11221 1 788 . 1 1 70 70 LEU HD22 H 1 0.613 0.030 . 1 . . . . 70 LEU HD2 . 11221 1 789 . 1 1 70 70 LEU HD23 H 1 0.613 0.030 . 1 . . . . 70 LEU HD2 . 11221 1 790 . 1 1 70 70 LEU HG H 1 1.662 0.030 . 1 . . . . 70 LEU HG . 11221 1 791 . 1 1 70 70 LEU C C 13 174.990 0.300 . 1 . . . . 70 LEU C . 11221 1 792 . 1 1 70 70 LEU CA C 13 56.789 0.300 . 1 . . . . 70 LEU CA . 11221 1 793 . 1 1 70 70 LEU CB C 13 40.797 0.300 . 1 . . . . 70 LEU CB . 11221 1 794 . 1 1 70 70 LEU CD1 C 13 25.013 0.300 . 2 . . . . 70 LEU CD1 . 11221 1 795 . 1 1 70 70 LEU CD2 C 13 21.961 0.300 . 2 . . . . 70 LEU CD2 . 11221 1 796 . 1 1 70 70 LEU CG C 13 26.870 0.300 . 1 . . . . 70 LEU CG . 11221 1 797 . 1 1 70 70 LEU N N 15 131.330 0.300 . 1 . . . . 70 LEU N . 11221 1 798 . 1 1 71 71 GLN H H 1 7.678 0.030 . 1 . . . . 71 GLN H . 11221 1 799 . 1 1 71 71 GLN HA H 1 5.315 0.030 . 1 . . . . 71 GLN HA . 11221 1 800 . 1 1 71 71 GLN HB2 H 1 2.005 0.030 . 2 . . . . 71 GLN HB2 . 11221 1 801 . 1 1 71 71 GLN HB3 H 1 2.099 0.030 . 2 . . . . 71 GLN HB3 . 11221 1 802 . 1 1 71 71 GLN HE21 H 1 8.396 0.030 . 2 . . . . 71 GLN HE21 . 11221 1 803 . 1 1 71 71 GLN HE22 H 1 6.555 0.030 . 2 . . . . 71 GLN HE22 . 11221 1 804 . 1 1 71 71 GLN HG2 H 1 2.583 0.030 . 2 . . . . 71 GLN HG2 . 11221 1 805 . 1 1 71 71 GLN HG3 H 1 1.926 0.030 . 2 . . . . 71 GLN HG3 . 11221 1 806 . 1 1 71 71 GLN C C 13 174.826 0.300 . 1 . . . . 71 GLN C . 11221 1 807 . 1 1 71 71 GLN CA C 13 54.952 0.300 . 1 . . . . 71 GLN CA . 11221 1 808 . 1 1 71 71 GLN CB C 13 32.961 0.300 . 1 . . . . 71 GLN CB . 11221 1 809 . 1 1 71 71 GLN CG C 13 35.521 0.300 . 1 . . . . 71 GLN CG . 11221 1 810 . 1 1 71 71 GLN N N 15 117.568 0.300 . 1 . . . . 71 GLN N . 11221 1 811 . 1 1 71 71 GLN NE2 N 15 113.044 0.300 . 1 . . . . 71 GLN NE2 . 11221 1 812 . 1 1 72 72 HIS H H 1 8.998 0.030 . 1 . . . . 72 HIS H . 11221 1 813 . 1 1 72 72 HIS HA H 1 4.979 0.030 . 1 . . . . 72 HIS HA . 11221 1 814 . 1 1 72 72 HIS HB2 H 1 3.351 0.030 . 2 . . . . 72 HIS HB2 . 11221 1 815 . 1 1 72 72 HIS HB3 H 1 2.544 0.030 . 2 . . . . 72 HIS HB3 . 11221 1 816 . 1 1 72 72 HIS HD2 H 1 6.663 0.030 . 1 . . . . 72 HIS HD2 . 11221 1 817 . 1 1 72 72 HIS HE1 H 1 8.029 0.030 . 1 . . . . 72 HIS HE1 . 11221 1 818 . 1 1 72 72 HIS C C 13 174.534 0.300 . 1 . . . . 72 HIS C . 11221 1 819 . 1 1 72 72 HIS CA C 13 55.987 0.300 . 1 . . . . 72 HIS CA . 11221 1 820 . 1 1 72 72 HIS CB C 13 35.077 0.300 . 1 . . . . 72 HIS CB . 11221 1 821 . 1 1 72 72 HIS CD2 C 13 116.540 0.300 . 1 . . . . 72 HIS CD2 . 11221 1 822 . 1 1 72 72 HIS CE1 C 13 137.466 0.300 . 1 . . . . 72 HIS CE1 . 11221 1 823 . 1 1 72 72 HIS N N 15 126.422 0.300 . 1 . . . . 72 HIS N . 11221 1 824 . 1 1 73 73 ARG H H 1 8.986 0.030 . 1 . . . . 73 ARG H . 11221 1 825 . 1 1 73 73 ARG HA H 1 5.649 0.030 . 1 . . . . 73 ARG HA . 11221 1 826 . 1 1 73 73 ARG HB2 H 1 1.681 0.030 . 1 . . . . 73 ARG HB2 . 11221 1 827 . 1 1 73 73 ARG HB3 H 1 1.681 0.030 . 1 . . . . 73 ARG HB3 . 11221 1 828 . 1 1 73 73 ARG HD2 H 1 3.068 0.030 . 1 . . . . 73 ARG HD2 . 11221 1 829 . 1 1 73 73 ARG HD3 H 1 3.068 0.030 . 1 . . . . 73 ARG HD3 . 11221 1 830 . 1 1 73 73 ARG HE H 1 7.128 0.030 . 1 . . . . 73 ARG HE . 11221 1 831 . 1 1 73 73 ARG HG2 H 1 1.506 0.030 . 2 . . . . 73 ARG HG2 . 11221 1 832 . 1 1 73 73 ARG HG3 H 1 1.621 0.030 . 2 . . . . 73 ARG HG3 . 11221 1 833 . 1 1 73 73 ARG C C 13 172.218 0.300 . 1 . . . . 73 ARG C . 11221 1 834 . 1 1 73 73 ARG CA C 13 54.836 0.300 . 1 . . . . 73 ARG CA . 11221 1 835 . 1 1 73 73 ARG CB C 13 35.794 0.300 . 1 . . . . 73 ARG CB . 11221 1 836 . 1 1 73 73 ARG CD C 13 44.107 0.300 . 1 . . . . 73 ARG CD . 11221 1 837 . 1 1 73 73 ARG CG C 13 26.944 0.300 . 1 . . . . 73 ARG CG . 11221 1 838 . 1 1 73 73 ARG N N 15 119.950 0.300 . 1 . . . . 73 ARG N . 11221 1 839 . 1 1 73 73 ARG NE N 15 82.794 0.300 . 1 . . . . 73 ARG NE . 11221 1 840 . 1 1 74 74 LEU H H 1 8.436 0.030 . 1 . . . . 74 LEU H . 11221 1 841 . 1 1 74 74 LEU HA H 1 4.433 0.030 . 1 . . . . 74 LEU HA . 11221 1 842 . 1 1 74 74 LEU HB2 H 1 0.570 0.030 . 2 . . . . 74 LEU HB2 . 11221 1 843 . 1 1 74 74 LEU HB3 H 1 -1.023 0.030 . 2 . . . . 74 LEU HB3 . 11221 1 844 . 1 1 74 74 LEU HD11 H 1 0.370 0.030 . 1 . . . . 74 LEU HD1 . 11221 1 845 . 1 1 74 74 LEU HD12 H 1 0.370 0.030 . 1 . . . . 74 LEU HD1 . 11221 1 846 . 1 1 74 74 LEU HD13 H 1 0.370 0.030 . 1 . . . . 74 LEU HD1 . 11221 1 847 . 1 1 74 74 LEU HD21 H 1 0.268 0.030 . 1 . . . . 74 LEU HD2 . 11221 1 848 . 1 1 74 74 LEU HD22 H 1 0.268 0.030 . 1 . . . . 74 LEU HD2 . 11221 1 849 . 1 1 74 74 LEU HD23 H 1 0.268 0.030 . 1 . . . . 74 LEU HD2 . 11221 1 850 . 1 1 74 74 LEU HG H 1 0.888 0.030 . 1 . . . . 74 LEU HG . 11221 1 851 . 1 1 74 74 LEU C C 13 173.973 0.300 . 1 . . . . 74 LEU C . 11221 1 852 . 1 1 74 74 LEU CA C 13 53.061 0.300 . 1 . . . . 74 LEU CA . 11221 1 853 . 1 1 74 74 LEU CB C 13 42.922 0.300 . 1 . . . . 74 LEU CB . 11221 1 854 . 1 1 74 74 LEU CD1 C 13 26.900 0.300 . 2 . . . . 74 LEU CD1 . 11221 1 855 . 1 1 74 74 LEU CD2 C 13 23.931 0.300 . 2 . . . . 74 LEU CD2 . 11221 1 856 . 1 1 74 74 LEU CG C 13 27.631 0.300 . 1 . . . . 74 LEU CG . 11221 1 857 . 1 1 74 74 LEU N N 15 124.619 0.300 . 1 . . . . 74 LEU N . 11221 1 858 . 1 1 75 75 ILE H H 1 8.977 0.030 . 1 . . . . 75 ILE H . 11221 1 859 . 1 1 75 75 ILE HA H 1 4.784 0.030 . 1 . . . . 75 ILE HA . 11221 1 860 . 1 1 75 75 ILE HB H 1 1.556 0.030 . 1 . . . . 75 ILE HB . 11221 1 861 . 1 1 75 75 ILE HD11 H 1 0.717 0.030 . 1 . . . . 75 ILE HD1 . 11221 1 862 . 1 1 75 75 ILE HD12 H 1 0.717 0.030 . 1 . . . . 75 ILE HD1 . 11221 1 863 . 1 1 75 75 ILE HD13 H 1 0.717 0.030 . 1 . . . . 75 ILE HD1 . 11221 1 864 . 1 1 75 75 ILE HG12 H 1 1.326 0.030 . 2 . . . . 75 ILE HG12 . 11221 1 865 . 1 1 75 75 ILE HG13 H 1 1.096 0.030 . 2 . . . . 75 ILE HG13 . 11221 1 866 . 1 1 75 75 ILE HG21 H 1 0.423 0.030 . 1 . . . . 75 ILE HG2 . 11221 1 867 . 1 1 75 75 ILE HG22 H 1 0.423 0.030 . 1 . . . . 75 ILE HG2 . 11221 1 868 . 1 1 75 75 ILE HG23 H 1 0.423 0.030 . 1 . . . . 75 ILE HG2 . 11221 1 869 . 1 1 75 75 ILE C C 13 175.516 0.300 . 1 . . . . 75 ILE C . 11221 1 870 . 1 1 75 75 ILE CA C 13 60.258 0.300 . 1 . . . . 75 ILE CA . 11221 1 871 . 1 1 75 75 ILE CB C 13 40.327 0.300 . 1 . . . . 75 ILE CB . 11221 1 872 . 1 1 75 75 ILE CD1 C 13 15.110 0.300 . 1 . . . . 75 ILE CD1 . 11221 1 873 . 1 1 75 75 ILE CG1 C 13 29.297 0.300 . 1 . . . . 75 ILE CG1 . 11221 1 874 . 1 1 75 75 ILE CG2 C 13 18.569 0.300 . 1 . . . . 75 ILE CG2 . 11221 1 875 . 1 1 75 75 ILE N N 15 126.306 0.300 . 1 . . . . 75 ILE N . 11221 1 876 . 1 1 76 76 LEU H H 1 9.162 0.030 . 1 . . . . 76 LEU H . 11221 1 877 . 1 1 76 76 LEU HA H 1 4.673 0.030 . 1 . . . . 76 LEU HA . 11221 1 878 . 1 1 76 76 LEU HB2 H 1 1.906 0.030 . 2 . . . . 76 LEU HB2 . 11221 1 879 . 1 1 76 76 LEU HB3 H 1 1.326 0.030 . 2 . . . . 76 LEU HB3 . 11221 1 880 . 1 1 76 76 LEU HD11 H 1 0.844 0.030 . 1 . . . . 76 LEU HD1 . 11221 1 881 . 1 1 76 76 LEU HD12 H 1 0.844 0.030 . 1 . . . . 76 LEU HD1 . 11221 1 882 . 1 1 76 76 LEU HD13 H 1 0.844 0.030 . 1 . . . . 76 LEU HD1 . 11221 1 883 . 1 1 76 76 LEU HD21 H 1 0.756 0.030 . 1 . . . . 76 LEU HD2 . 11221 1 884 . 1 1 76 76 LEU HD22 H 1 0.756 0.030 . 1 . . . . 76 LEU HD2 . 11221 1 885 . 1 1 76 76 LEU HD23 H 1 0.756 0.030 . 1 . . . . 76 LEU HD2 . 11221 1 886 . 1 1 76 76 LEU HG H 1 1.615 0.030 . 1 . . . . 76 LEU HG . 11221 1 887 . 1 1 76 76 LEU C C 13 175.656 0.300 . 1 . . . . 76 LEU C . 11221 1 888 . 1 1 76 76 LEU CA C 13 53.031 0.300 . 1 . . . . 76 LEU CA . 11221 1 889 . 1 1 76 76 LEU CB C 13 42.845 0.300 . 1 . . . . 76 LEU CB . 11221 1 890 . 1 1 76 76 LEU CD1 C 13 26.577 0.300 . 2 . . . . 76 LEU CD1 . 11221 1 891 . 1 1 76 76 LEU CD2 C 13 23.504 0.300 . 2 . . . . 76 LEU CD2 . 11221 1 892 . 1 1 76 76 LEU CG C 13 26.773 0.300 . 1 . . . . 76 LEU CG . 11221 1 893 . 1 1 76 76 LEU N N 15 125.857 0.300 . 1 . . . . 76 LEU N . 11221 1 894 . 1 1 77 77 HIS H H 1 8.167 0.030 . 1 . . . . 77 HIS H . 11221 1 895 . 1 1 77 77 HIS HA H 1 4.701 0.030 . 1 . . . . 77 HIS HA . 11221 1 896 . 1 1 77 77 HIS HB2 H 1 2.909 0.030 . 2 . . . . 77 HIS HB2 . 11221 1 897 . 1 1 77 77 HIS HB3 H 1 2.842 0.030 . 2 . . . . 77 HIS HB3 . 11221 1 898 . 1 1 77 77 HIS HD2 H 1 6.520 0.030 . 1 . . . . 77 HIS HD2 . 11221 1 899 . 1 1 77 77 HIS HE1 H 1 7.662 0.030 . 1 . . . . 77 HIS HE1 . 11221 1 900 . 1 1 77 77 HIS C C 13 175.022 0.300 . 1 . . . . 77 HIS C . 11221 1 901 . 1 1 77 77 HIS CA C 13 55.394 0.300 . 1 . . . . 77 HIS CA . 11221 1 902 . 1 1 77 77 HIS CB C 13 29.952 0.300 . 1 . . . . 77 HIS CB . 11221 1 903 . 1 1 77 77 HIS CD2 C 13 124.432 0.300 . 1 . . . . 77 HIS CD2 . 11221 1 904 . 1 1 77 77 HIS CE1 C 13 138.165 0.300 . 1 . . . . 77 HIS CE1 . 11221 1 905 . 1 1 77 77 HIS N N 15 121.473 0.300 . 1 . . . . 77 HIS N . 11221 1 906 . 1 1 78 78 ALA H H 1 8.884 0.030 . 1 . . . . 78 ALA H . 11221 1 907 . 1 1 78 78 ALA HA H 1 3.550 0.030 . 1 . . . . 78 ALA HA . 11221 1 908 . 1 1 78 78 ALA HB1 H 1 1.132 0.030 . 1 . . . . 78 ALA HB . 11221 1 909 . 1 1 78 78 ALA HB2 H 1 1.132 0.030 . 1 . . . . 78 ALA HB . 11221 1 910 . 1 1 78 78 ALA HB3 H 1 1.132 0.030 . 1 . . . . 78 ALA HB . 11221 1 911 . 1 1 78 78 ALA C C 13 176.828 0.300 . 1 . . . . 78 ALA C . 11221 1 912 . 1 1 78 78 ALA CA C 13 51.871 0.300 . 1 . . . . 78 ALA CA . 11221 1 913 . 1 1 78 78 ALA CB C 13 17.277 0.300 . 1 . . . . 78 ALA CB . 11221 1 914 . 1 1 78 78 ALA N N 15 127.009 0.300 . 1 . . . . 78 ALA N . 11221 1 915 . 1 1 79 79 VAL H H 1 8.012 0.030 . 1 . . . . 79 VAL H . 11221 1 916 . 1 1 79 79 VAL HA H 1 4.078 0.030 . 1 . . . . 79 VAL HA . 11221 1 917 . 1 1 79 79 VAL HB H 1 2.202 0.030 . 1 . . . . 79 VAL HB . 11221 1 918 . 1 1 79 79 VAL HG11 H 1 0.912 0.030 . 1 . . . . 79 VAL HG1 . 11221 1 919 . 1 1 79 79 VAL HG12 H 1 0.912 0.030 . 1 . . . . 79 VAL HG1 . 11221 1 920 . 1 1 79 79 VAL HG13 H 1 0.912 0.030 . 1 . . . . 79 VAL HG1 . 11221 1 921 . 1 1 79 79 VAL HG21 H 1 0.871 0.030 . 1 . . . . 79 VAL HG2 . 11221 1 922 . 1 1 79 79 VAL HG22 H 1 0.871 0.030 . 1 . . . . 79 VAL HG2 . 11221 1 923 . 1 1 79 79 VAL HG23 H 1 0.871 0.030 . 1 . . . . 79 VAL HG2 . 11221 1 924 . 1 1 79 79 VAL C C 13 175.163 0.300 . 1 . . . . 79 VAL C . 11221 1 925 . 1 1 79 79 VAL CA C 13 62.344 0.300 . 1 . . . . 79 VAL CA . 11221 1 926 . 1 1 79 79 VAL CB C 13 32.427 0.300 . 1 . . . . 79 VAL CB . 11221 1 927 . 1 1 79 79 VAL CG1 C 13 23.629 0.300 . 2 . . . . 79 VAL CG1 . 11221 1 928 . 1 1 79 79 VAL CG2 C 13 20.057 0.300 . 2 . . . . 79 VAL CG2 . 11221 1 929 . 1 1 79 79 VAL N N 15 113.753 0.300 . 1 . . . . 79 VAL N . 11221 1 930 . 1 1 80 80 LYS H H 1 8.927 0.030 . 1 . . . . 80 LYS H . 11221 1 931 . 1 1 80 80 LYS HA H 1 5.072 0.030 . 1 . . . . 80 LYS HA . 11221 1 932 . 1 1 80 80 LYS HB2 H 1 1.711 0.030 . 2 . . . . 80 LYS HB2 . 11221 1 933 . 1 1 80 80 LYS HB3 H 1 2.019 0.030 . 2 . . . . 80 LYS HB3 . 11221 1 934 . 1 1 80 80 LYS HD2 H 1 1.722 0.030 . 1 . . . . 80 LYS HD2 . 11221 1 935 . 1 1 80 80 LYS HD3 H 1 1.722 0.030 . 1 . . . . 80 LYS HD3 . 11221 1 936 . 1 1 80 80 LYS HE2 H 1 3.014 0.030 . 2 . . . . 80 LYS HE2 . 11221 1 937 . 1 1 80 80 LYS HE3 H 1 3.095 0.030 . 2 . . . . 80 LYS HE3 . 11221 1 938 . 1 1 80 80 LYS HG2 H 1 1.568 0.030 . 1 . . . . 80 LYS HG2 . 11221 1 939 . 1 1 80 80 LYS HG3 H 1 1.568 0.030 . 1 . . . . 80 LYS HG3 . 11221 1 940 . 1 1 80 80 LYS C C 13 178.429 0.300 . 1 . . . . 80 LYS C . 11221 1 941 . 1 1 80 80 LYS CA C 13 54.039 0.300 . 1 . . . . 80 LYS CA . 11221 1 942 . 1 1 80 80 LYS CB C 13 35.539 0.300 . 1 . . . . 80 LYS CB . 11221 1 943 . 1 1 80 80 LYS CD C 13 28.629 0.300 . 1 . . . . 80 LYS CD . 11221 1 944 . 1 1 80 80 LYS CE C 13 41.870 0.300 . 1 . . . . 80 LYS CE . 11221 1 945 . 1 1 80 80 LYS CG C 13 24.219 0.300 . 1 . . . . 80 LYS CG . 11221 1 946 . 1 1 80 80 LYS N N 15 119.102 0.300 . 1 . . . . 80 LYS N . 11221 1 947 . 1 1 81 81 HIS H H 1 9.268 0.030 . 1 . . . . 81 HIS H . 11221 1 948 . 1 1 81 81 HIS HA H 1 4.041 0.030 . 1 . . . . 81 HIS HA . 11221 1 949 . 1 1 81 81 HIS HB2 H 1 3.226 0.030 . 2 . . . . 81 HIS HB2 . 11221 1 950 . 1 1 81 81 HIS HB3 H 1 3.089 0.030 . 2 . . . . 81 HIS HB3 . 11221 1 951 . 1 1 81 81 HIS HD2 H 1 7.210 0.030 . 1 . . . . 81 HIS HD2 . 11221 1 952 . 1 1 81 81 HIS HE1 H 1 8.021 0.030 . 1 . . . . 81 HIS HE1 . 11221 1 953 . 1 1 81 81 HIS C C 13 177.444 0.300 . 1 . . . . 81 HIS C . 11221 1 954 . 1 1 81 81 HIS CA C 13 60.402 0.300 . 1 . . . . 81 HIS CA . 11221 1 955 . 1 1 81 81 HIS CB C 13 29.516 0.300 . 1 . . . . 81 HIS CB . 11221 1 956 . 1 1 81 81 HIS CD2 C 13 121.545 0.300 . 1 . . . . 81 HIS CD2 . 11221 1 957 . 1 1 81 81 HIS CE1 C 13 138.091 0.300 . 1 . . . . 81 HIS CE1 . 11221 1 958 . 1 1 81 81 HIS N N 15 121.016 0.300 . 1 . . . . 81 HIS N . 11221 1 959 . 1 1 82 82 GLN H H 1 8.720 0.030 . 1 . . . . 82 GLN H . 11221 1 960 . 1 1 82 82 GLN HA H 1 4.071 0.030 . 1 . . . . 82 GLN HA . 11221 1 961 . 1 1 82 82 GLN HB2 H 1 2.024 0.030 . 1 . . . . 82 GLN HB2 . 11221 1 962 . 1 1 82 82 GLN HB3 H 1 2.024 0.030 . 1 . . . . 82 GLN HB3 . 11221 1 963 . 1 1 82 82 GLN HE21 H 1 7.734 0.030 . 2 . . . . 82 GLN HE21 . 11221 1 964 . 1 1 82 82 GLN HE22 H 1 6.804 0.030 . 2 . . . . 82 GLN HE22 . 11221 1 965 . 1 1 82 82 GLN HG2 H 1 2.352 0.030 . 2 . . . . 82 GLN HG2 . 11221 1 966 . 1 1 82 82 GLN HG3 H 1 2.295 0.030 . 2 . . . . 82 GLN HG3 . 11221 1 967 . 1 1 82 82 GLN C C 13 175.976 0.300 . 1 . . . . 82 GLN C . 11221 1 968 . 1 1 82 82 GLN CA C 13 58.396 0.300 . 1 . . . . 82 GLN CA . 11221 1 969 . 1 1 82 82 GLN CB C 13 27.717 0.300 . 1 . . . . 82 GLN CB . 11221 1 970 . 1 1 82 82 GLN CG C 13 33.316 0.300 . 1 . . . . 82 GLN CG . 11221 1 971 . 1 1 82 82 GLN N N 15 117.944 0.300 . 1 . . . . 82 GLN N . 11221 1 972 . 1 1 82 82 GLN NE2 N 15 112.360 0.300 . 1 . . . . 82 GLN NE2 . 11221 1 973 . 1 1 83 83 ASP H H 1 8.299 0.030 . 1 . . . . 83 ASP H . 11221 1 974 . 1 1 83 83 ASP HA H 1 4.759 0.030 . 1 . . . . 83 ASP HA . 11221 1 975 . 1 1 83 83 ASP HB2 H 1 2.729 0.030 . 2 . . . . 83 ASP HB2 . 11221 1 976 . 1 1 83 83 ASP HB3 H 1 2.800 0.030 . 2 . . . . 83 ASP HB3 . 11221 1 977 . 1 1 83 83 ASP C C 13 175.544 0.300 . 1 . . . . 83 ASP C . 11221 1 978 . 1 1 83 83 ASP CA C 13 54.877 0.300 . 1 . . . . 83 ASP CA . 11221 1 979 . 1 1 83 83 ASP CB C 13 41.344 0.300 . 1 . . . . 83 ASP CB . 11221 1 980 . 1 1 83 83 ASP N N 15 118.757 0.300 . 1 . . . . 83 ASP N . 11221 1 981 . 1 1 84 84 SER H H 1 7.629 0.030 . 1 . . . . 84 SER H . 11221 1 982 . 1 1 84 84 SER HA H 1 3.717 0.030 . 1 . . . . 84 SER HA . 11221 1 983 . 1 1 84 84 SER HB2 H 1 3.976 0.030 . 2 . . . . 84 SER HB2 . 11221 1 984 . 1 1 84 84 SER HB3 H 1 4.233 0.030 . 2 . . . . 84 SER HB3 . 11221 1 985 . 1 1 84 84 SER C C 13 175.586 0.300 . 1 . . . . 84 SER C . 11221 1 986 . 1 1 84 84 SER CA C 13 61.211 0.300 . 1 . . . . 84 SER CA . 11221 1 987 . 1 1 84 84 SER CB C 13 62.422 0.300 . 1 . . . . 84 SER CB . 11221 1 988 . 1 1 84 84 SER N N 15 113.079 0.300 . 1 . . . . 84 SER N . 11221 1 989 . 1 1 85 85 GLY H H 1 9.382 0.030 . 1 . . . . 85 GLY H . 11221 1 990 . 1 1 85 85 GLY HA2 H 1 3.751 0.030 . 2 . . . . 85 GLY HA2 . 11221 1 991 . 1 1 85 85 GLY HA3 H 1 4.412 0.030 . 2 . . . . 85 GLY HA3 . 11221 1 992 . 1 1 85 85 GLY C C 13 174.314 0.300 . 1 . . . . 85 GLY C . 11221 1 993 . 1 1 85 85 GLY CA C 13 44.586 0.300 . 1 . . . . 85 GLY CA . 11221 1 994 . 1 1 85 85 GLY N N 15 116.798 0.300 . 1 . . . . 85 GLY N . 11221 1 995 . 1 1 86 86 ALA H H 1 7.493 0.030 . 1 . . . . 86 ALA H . 11221 1 996 . 1 1 86 86 ALA HA H 1 4.551 0.030 . 1 . . . . 86 ALA HA . 11221 1 997 . 1 1 86 86 ALA HB1 H 1 1.461 0.030 . 1 . . . . 86 ALA HB . 11221 1 998 . 1 1 86 86 ALA HB2 H 1 1.461 0.030 . 1 . . . . 86 ALA HB . 11221 1 999 . 1 1 86 86 ALA HB3 H 1 1.461 0.030 . 1 . . . . 86 ALA HB . 11221 1 1000 . 1 1 86 86 ALA C C 13 175.140 0.300 . 1 . . . . 86 ALA C . 11221 1 1001 . 1 1 86 86 ALA CA C 13 52.487 0.300 . 1 . . . . 86 ALA CA . 11221 1 1002 . 1 1 86 86 ALA CB C 13 19.228 0.300 . 1 . . . . 86 ALA CB . 11221 1 1003 . 1 1 86 86 ALA N N 15 123.054 0.300 . 1 . . . . 86 ALA N . 11221 1 1004 . 1 1 87 87 LEU H H 1 8.035 0.030 . 1 . . . . 87 LEU H . 11221 1 1005 . 1 1 87 87 LEU HA H 1 4.928 0.030 . 1 . . . . 87 LEU HA . 11221 1 1006 . 1 1 87 87 LEU HB2 H 1 1.631 0.030 . 2 . . . . 87 LEU HB2 . 11221 1 1007 . 1 1 87 87 LEU HB3 H 1 1.548 0.030 . 2 . . . . 87 LEU HB3 . 11221 1 1008 . 1 1 87 87 LEU HD11 H 1 0.830 0.030 . 1 . . . . 87 LEU HD1 . 11221 1 1009 . 1 1 87 87 LEU HD12 H 1 0.830 0.030 . 1 . . . . 87 LEU HD1 . 11221 1 1010 . 1 1 87 87 LEU HD13 H 1 0.830 0.030 . 1 . . . . 87 LEU HD1 . 11221 1 1011 . 1 1 87 87 LEU HD21 H 1 0.865 0.030 . 1 . . . . 87 LEU HD2 . 11221 1 1012 . 1 1 87 87 LEU HD22 H 1 0.865 0.030 . 1 . . . . 87 LEU HD2 . 11221 1 1013 . 1 1 87 87 LEU HD23 H 1 0.865 0.030 . 1 . . . . 87 LEU HD2 . 11221 1 1014 . 1 1 87 87 LEU HG H 1 1.503 0.030 . 1 . . . . 87 LEU HG . 11221 1 1015 . 1 1 87 87 LEU C C 13 176.479 0.300 . 1 . . . . 87 LEU C . 11221 1 1016 . 1 1 87 87 LEU CA C 13 53.263 0.300 . 1 . . . . 87 LEU CA . 11221 1 1017 . 1 1 87 87 LEU CB C 13 44.285 0.300 . 1 . . . . 87 LEU CB . 11221 1 1018 . 1 1 87 87 LEU CD1 C 13 24.487 0.300 . 2 . . . . 87 LEU CD1 . 11221 1 1019 . 1 1 87 87 LEU CD2 C 13 24.226 0.300 . 2 . . . . 87 LEU CD2 . 11221 1 1020 . 1 1 87 87 LEU CG C 13 27.113 0.300 . 1 . . . . 87 LEU CG . 11221 1 1021 . 1 1 87 87 LEU N N 15 120.739 0.300 . 1 . . . . 87 LEU N . 11221 1 1022 . 1 1 88 88 VAL H H 1 9.248 0.030 . 1 . . . . 88 VAL H . 11221 1 1023 . 1 1 88 88 VAL HA H 1 4.625 0.030 . 1 . . . . 88 VAL HA . 11221 1 1024 . 1 1 88 88 VAL HB H 1 1.263 0.030 . 1 . . . . 88 VAL HB . 11221 1 1025 . 1 1 88 88 VAL HG11 H 1 0.632 0.030 . 1 . . . . 88 VAL HG1 . 11221 1 1026 . 1 1 88 88 VAL HG12 H 1 0.632 0.030 . 1 . . . . 88 VAL HG1 . 11221 1 1027 . 1 1 88 88 VAL HG13 H 1 0.632 0.030 . 1 . . . . 88 VAL HG1 . 11221 1 1028 . 1 1 88 88 VAL HG21 H 1 0.053 0.030 . 1 . . . . 88 VAL HG2 . 11221 1 1029 . 1 1 88 88 VAL HG22 H 1 0.053 0.030 . 1 . . . . 88 VAL HG2 . 11221 1 1030 . 1 1 88 88 VAL HG23 H 1 0.053 0.030 . 1 . . . . 88 VAL HG2 . 11221 1 1031 . 1 1 88 88 VAL C C 13 174.611 0.300 . 1 . . . . 88 VAL C . 11221 1 1032 . 1 1 88 88 VAL CA C 13 61.314 0.300 . 1 . . . . 88 VAL CA . 11221 1 1033 . 1 1 88 88 VAL CB C 13 33.321 0.300 . 1 . . . . 88 VAL CB . 11221 1 1034 . 1 1 88 88 VAL CG1 C 13 21.741 0.300 . 2 . . . . 88 VAL CG1 . 11221 1 1035 . 1 1 88 88 VAL CG2 C 13 20.728 0.300 . 2 . . . . 88 VAL CG2 . 11221 1 1036 . 1 1 88 88 VAL N N 15 130.707 0.300 . 1 . . . . 88 VAL N . 11221 1 1037 . 1 1 89 89 GLY H H 1 9.223 0.030 . 1 . . . . 89 GLY H . 11221 1 1038 . 1 1 89 89 GLY HA2 H 1 3.637 0.030 . 2 . . . . 89 GLY HA2 . 11221 1 1039 . 1 1 89 89 GLY HA3 H 1 5.130 0.030 . 2 . . . . 89 GLY HA3 . 11221 1 1040 . 1 1 89 89 GLY C C 13 171.047 0.300 . 1 . . . . 89 GLY C . 11221 1 1041 . 1 1 89 89 GLY CA C 13 43.586 0.300 . 1 . . . . 89 GLY CA . 11221 1 1042 . 1 1 89 89 GLY N N 15 112.707 0.300 . 1 . . . . 89 GLY N . 11221 1 1043 . 1 1 90 90 PHE H H 1 8.349 0.030 . 1 . . . . 90 PHE H . 11221 1 1044 . 1 1 90 90 PHE HA H 1 5.229 0.030 . 1 . . . . 90 PHE HA . 11221 1 1045 . 1 1 90 90 PHE HB2 H 1 1.878 0.030 . 2 . . . . 90 PHE HB2 . 11221 1 1046 . 1 1 90 90 PHE HB3 H 1 1.937 0.030 . 2 . . . . 90 PHE HB3 . 11221 1 1047 . 1 1 90 90 PHE HD1 H 1 6.319 0.030 . 3 . . . . 90 PHE HD1 . 11221 1 1048 . 1 1 90 90 PHE HD2 H 1 5.462 0.030 . 3 . . . . 90 PHE HD2 . 11221 1 1049 . 1 1 90 90 PHE HE1 H 1 6.292 0.030 . 3 . . . . 90 PHE HE1 . 11221 1 1050 . 1 1 90 90 PHE HE2 H 1 5.724 0.030 . 3 . . . . 90 PHE HE2 . 11221 1 1051 . 1 1 90 90 PHE HZ H 1 5.457 0.030 . 1 . . . . 90 PHE HZ . 11221 1 1052 . 1 1 90 90 PHE C C 13 174.482 0.300 . 1 . . . . 90 PHE C . 11221 1 1053 . 1 1 90 90 PHE CA C 13 55.961 0.300 . 1 . . . . 90 PHE CA . 11221 1 1054 . 1 1 90 90 PHE CB C 13 43.978 0.300 . 1 . . . . 90 PHE CB . 11221 1 1055 . 1 1 90 90 PHE CD1 C 13 129.461 0.300 . 3 . . . . 90 PHE CD1 . 11221 1 1056 . 1 1 90 90 PHE CD2 C 13 127.211 0.300 . 3 . . . . 90 PHE CD2 . 11221 1 1057 . 1 1 90 90 PHE CE1 C 13 129.086 0.300 . 3 . . . . 90 PHE CE1 . 11221 1 1058 . 1 1 90 90 PHE CE2 C 13 127.153 0.300 . 3 . . . . 90 PHE CE2 . 11221 1 1059 . 1 1 90 90 PHE CZ C 13 127.211 0.300 . 1 . . . . 90 PHE CZ . 11221 1 1060 . 1 1 90 90 PHE N N 15 119.727 0.300 . 1 . . . . 90 PHE N . 11221 1 1061 . 1 1 91 91 SER H H 1 8.246 0.030 . 1 . . . . 91 SER H . 11221 1 1062 . 1 1 91 91 SER HA H 1 5.044 0.030 . 1 . . . . 91 SER HA . 11221 1 1063 . 1 1 91 91 SER HB2 H 1 3.602 0.030 . 2 . . . . 91 SER HB2 . 11221 1 1064 . 1 1 91 91 SER HB3 H 1 3.712 0.030 . 2 . . . . 91 SER HB3 . 11221 1 1065 . 1 1 91 91 SER C C 13 171.958 0.300 . 1 . . . . 91 SER C . 11221 1 1066 . 1 1 91 91 SER CA C 13 56.194 0.300 . 1 . . . . 91 SER CA . 11221 1 1067 . 1 1 91 91 SER CB C 13 66.711 0.300 . 1 . . . . 91 SER CB . 11221 1 1068 . 1 1 91 91 SER N N 15 121.133 0.300 . 1 . . . . 91 SER N . 11221 1 1069 . 1 1 92 92 CYS H H 1 8.930 0.030 . 1 . . . . 92 CYS H . 11221 1 1070 . 1 1 92 92 CYS HA H 1 4.825 0.030 . 1 . . . . 92 CYS HA . 11221 1 1071 . 1 1 92 92 CYS HB2 H 1 3.409 0.030 . 2 . . . . 92 CYS HB2 . 11221 1 1072 . 1 1 92 92 CYS HB3 H 1 2.321 0.030 . 2 . . . . 92 CYS HB3 . 11221 1 1073 . 1 1 92 92 CYS C C 13 171.373 0.300 . 1 . . . . 92 CYS C . 11221 1 1074 . 1 1 92 92 CYS CA C 13 55.998 0.300 . 1 . . . . 92 CYS CA . 11221 1 1075 . 1 1 92 92 CYS CB C 13 28.439 0.300 . 1 . . . . 92 CYS CB . 11221 1 1076 . 1 1 92 92 CYS N N 15 119.721 0.300 . 1 . . . . 92 CYS N . 11221 1 1077 . 1 1 93 93 PRO HA H 1 4.323 0.030 . 1 . . . . 93 PRO HA . 11221 1 1078 . 1 1 93 93 PRO HB2 H 1 2.285 0.030 . 2 . . . . 93 PRO HB2 . 11221 1 1079 . 1 1 93 93 PRO HB3 H 1 2.085 0.030 . 2 . . . . 93 PRO HB3 . 11221 1 1080 . 1 1 93 93 PRO HD2 H 1 3.775 0.030 . 2 . . . . 93 PRO HD2 . 11221 1 1081 . 1 1 93 93 PRO HD3 H 1 3.316 0.030 . 2 . . . . 93 PRO HD3 . 11221 1 1082 . 1 1 93 93 PRO HG2 H 1 2.204 0.030 . 2 . . . . 93 PRO HG2 . 11221 1 1083 . 1 1 93 93 PRO HG3 H 1 1.962 0.030 . 2 . . . . 93 PRO HG3 . 11221 1 1084 . 1 1 93 93 PRO C C 13 176.737 0.300 . 1 . . . . 93 PRO C . 11221 1 1085 . 1 1 93 93 PRO CA C 13 65.737 0.300 . 1 . . . . 93 PRO CA . 11221 1 1086 . 1 1 93 93 PRO CB C 13 30.672 0.300 . 1 . . . . 93 PRO CB . 11221 1 1087 . 1 1 93 93 PRO CD C 13 50.086 0.300 . 1 . . . . 93 PRO CD . 11221 1 1088 . 1 1 93 93 PRO CG C 13 28.280 0.300 . 1 . . . . 93 PRO CG . 11221 1 1089 . 1 1 94 94 GLY H H 1 8.657 0.030 . 1 . . . . 94 GLY H . 11221 1 1090 . 1 1 94 94 GLY HA2 H 1 3.662 0.030 . 2 . . . . 94 GLY HA2 . 11221 1 1091 . 1 1 94 94 GLY HA3 H 1 4.864 0.030 . 2 . . . . 94 GLY HA3 . 11221 1 1092 . 1 1 94 94 GLY C C 13 174.487 0.300 . 1 . . . . 94 GLY C . 11221 1 1093 . 1 1 94 94 GLY CA C 13 45.620 0.300 . 1 . . . . 94 GLY CA . 11221 1 1094 . 1 1 94 94 GLY N N 15 115.532 0.300 . 1 . . . . 94 GLY N . 11221 1 1095 . 1 1 95 95 VAL H H 1 8.476 0.030 . 1 . . . . 95 VAL H . 11221 1 1096 . 1 1 95 95 VAL HA H 1 4.391 0.030 . 1 . . . . 95 VAL HA . 11221 1 1097 . 1 1 95 95 VAL HB H 1 2.424 0.030 . 1 . . . . 95 VAL HB . 11221 1 1098 . 1 1 95 95 VAL HG11 H 1 0.812 0.030 . 1 . . . . 95 VAL HG1 . 11221 1 1099 . 1 1 95 95 VAL HG12 H 1 0.812 0.030 . 1 . . . . 95 VAL HG1 . 11221 1 1100 . 1 1 95 95 VAL HG13 H 1 0.812 0.030 . 1 . . . . 95 VAL HG1 . 11221 1 1101 . 1 1 95 95 VAL HG21 H 1 0.628 0.030 . 1 . . . . 95 VAL HG2 . 11221 1 1102 . 1 1 95 95 VAL HG22 H 1 0.628 0.030 . 1 . . . . 95 VAL HG2 . 11221 1 1103 . 1 1 95 95 VAL HG23 H 1 0.628 0.030 . 1 . . . . 95 VAL HG2 . 11221 1 1104 . 1 1 95 95 VAL C C 13 174.305 0.300 . 1 . . . . 95 VAL C . 11221 1 1105 . 1 1 95 95 VAL CA C 13 62.336 0.300 . 1 . . . . 95 VAL CA . 11221 1 1106 . 1 1 95 95 VAL CB C 13 36.244 0.300 . 1 . . . . 95 VAL CB . 11221 1 1107 . 1 1 95 95 VAL CG1 C 13 21.629 0.300 . 2 . . . . 95 VAL CG1 . 11221 1 1108 . 1 1 95 95 VAL CG2 C 13 21.704 0.300 . 2 . . . . 95 VAL CG2 . 11221 1 1109 . 1 1 95 95 VAL N N 15 121.430 0.300 . 1 . . . . 95 VAL N . 11221 1 1110 . 1 1 96 96 GLN H H 1 8.120 0.030 . 1 . . . . 96 GLN H . 11221 1 1111 . 1 1 96 96 GLN HA H 1 5.040 0.030 . 1 . . . . 96 GLN HA . 11221 1 1112 . 1 1 96 96 GLN HB2 H 1 1.974 0.030 . 1 . . . . 96 GLN HB2 . 11221 1 1113 . 1 1 96 96 GLN HB3 H 1 1.974 0.030 . 1 . . . . 96 GLN HB3 . 11221 1 1114 . 1 1 96 96 GLN HE21 H 1 7.366 0.030 . 2 . . . . 96 GLN HE21 . 11221 1 1115 . 1 1 96 96 GLN HE22 H 1 6.662 0.030 . 2 . . . . 96 GLN HE22 . 11221 1 1116 . 1 1 96 96 GLN HG2 H 1 2.298 0.030 . 1 . . . . 96 GLN HG2 . 11221 1 1117 . 1 1 96 96 GLN HG3 H 1 2.298 0.030 . 1 . . . . 96 GLN HG3 . 11221 1 1118 . 1 1 96 96 GLN C C 13 173.811 0.300 . 1 . . . . 96 GLN C . 11221 1 1119 . 1 1 96 96 GLN CA C 13 55.496 0.300 . 1 . . . . 96 GLN CA . 11221 1 1120 . 1 1 96 96 GLN CB C 13 31.469 0.300 . 1 . . . . 96 GLN CB . 11221 1 1121 . 1 1 96 96 GLN CG C 13 33.900 0.300 . 1 . . . . 96 GLN CG . 11221 1 1122 . 1 1 96 96 GLN N N 15 125.601 0.300 . 1 . . . . 96 GLN N . 11221 1 1123 . 1 1 96 96 GLN NE2 N 15 111.998 0.300 . 1 . . . . 96 GLN NE2 . 11221 1 1124 . 1 1 97 97 ASP H H 1 8.985 0.030 . 1 . . . . 97 ASP H . 11221 1 1125 . 1 1 97 97 ASP HA H 1 5.221 0.030 . 1 . . . . 97 ASP HA . 11221 1 1126 . 1 1 97 97 ASP HB2 H 1 2.319 0.030 . 2 . . . . 97 ASP HB2 . 11221 1 1127 . 1 1 97 97 ASP HB3 H 1 2.410 0.030 . 2 . . . . 97 ASP HB3 . 11221 1 1128 . 1 1 97 97 ASP C C 13 174.927 0.300 . 1 . . . . 97 ASP C . 11221 1 1129 . 1 1 97 97 ASP CA C 13 52.944 0.300 . 1 . . . . 97 ASP CA . 11221 1 1130 . 1 1 97 97 ASP CB C 13 45.389 0.300 . 1 . . . . 97 ASP CB . 11221 1 1131 . 1 1 97 97 ASP N N 15 124.010 0.300 . 1 . . . . 97 ASP N . 11221 1 1132 . 1 1 98 98 SER H H 1 8.777 0.030 . 1 . . . . 98 SER H . 11221 1 1133 . 1 1 98 98 SER HA H 1 5.495 0.030 . 1 . . . . 98 SER HA . 11221 1 1134 . 1 1 98 98 SER HB2 H 1 3.795 0.030 . 2 . . . . 98 SER HB2 . 11221 1 1135 . 1 1 98 98 SER HB3 H 1 3.904 0.030 . 2 . . . . 98 SER HB3 . 11221 1 1136 . 1 1 98 98 SER C C 13 171.778 0.300 . 1 . . . . 98 SER C . 11221 1 1137 . 1 1 98 98 SER CA C 13 57.760 0.300 . 1 . . . . 98 SER CA . 11221 1 1138 . 1 1 98 98 SER CB C 13 66.168 0.300 . 1 . . . . 98 SER CB . 11221 1 1139 . 1 1 98 98 SER N N 15 116.104 0.300 . 1 . . . . 98 SER N . 11221 1 1140 . 1 1 99 99 ALA H H 1 9.187 0.030 . 1 . . . . 99 ALA H . 11221 1 1141 . 1 1 99 99 ALA HA H 1 4.594 0.030 . 1 . . . . 99 ALA HA . 11221 1 1142 . 1 1 99 99 ALA HB1 H 1 1.523 0.030 . 1 . . . . 99 ALA HB . 11221 1 1143 . 1 1 99 99 ALA HB2 H 1 1.523 0.030 . 1 . . . . 99 ALA HB . 11221 1 1144 . 1 1 99 99 ALA HB3 H 1 1.523 0.030 . 1 . . . . 99 ALA HB . 11221 1 1145 . 1 1 99 99 ALA C C 13 173.927 0.300 . 1 . . . . 99 ALA C . 11221 1 1146 . 1 1 99 99 ALA CA C 13 52.019 0.300 . 1 . . . . 99 ALA CA . 11221 1 1147 . 1 1 99 99 ALA CB C 13 24.319 0.300 . 1 . . . . 99 ALA CB . 11221 1 1148 . 1 1 99 99 ALA N N 15 121.303 0.300 . 1 . . . . 99 ALA N . 11221 1 1149 . 1 1 100 100 ALA H H 1 8.851 0.030 . 1 . . . . 100 ALA H . 11221 1 1150 . 1 1 100 100 ALA HA H 1 5.312 0.030 . 1 . . . . 100 ALA HA . 11221 1 1151 . 1 1 100 100 ALA HB1 H 1 1.283 0.030 . 1 . . . . 100 ALA HB . 11221 1 1152 . 1 1 100 100 ALA HB2 H 1 1.283 0.030 . 1 . . . . 100 ALA HB . 11221 1 1153 . 1 1 100 100 ALA HB3 H 1 1.283 0.030 . 1 . . . . 100 ALA HB . 11221 1 1154 . 1 1 100 100 ALA C C 13 176.686 0.300 . 1 . . . . 100 ALA C . 11221 1 1155 . 1 1 100 100 ALA CA C 13 50.770 0.300 . 1 . . . . 100 ALA CA . 11221 1 1156 . 1 1 100 100 ALA CB C 13 22.146 0.300 . 1 . . . . 100 ALA CB . 11221 1 1157 . 1 1 100 100 ALA N N 15 121.273 0.300 . 1 . . . . 100 ALA N . 11221 1 1158 . 1 1 101 101 LEU H H 1 8.540 0.030 . 1 . . . . 101 LEU H . 11221 1 1159 . 1 1 101 101 LEU HA H 1 5.363 0.030 . 1 . . . . 101 LEU HA . 11221 1 1160 . 1 1 101 101 LEU HB2 H 1 2.151 0.030 . 2 . . . . 101 LEU HB2 . 11221 1 1161 . 1 1 101 101 LEU HB3 H 1 1.379 0.030 . 2 . . . . 101 LEU HB3 . 11221 1 1162 . 1 1 101 101 LEU HD11 H 1 0.846 0.030 . 1 . . . . 101 LEU HD1 . 11221 1 1163 . 1 1 101 101 LEU HD12 H 1 0.846 0.030 . 1 . . . . 101 LEU HD1 . 11221 1 1164 . 1 1 101 101 LEU HD13 H 1 0.846 0.030 . 1 . . . . 101 LEU HD1 . 11221 1 1165 . 1 1 101 101 LEU HD21 H 1 0.899 0.030 . 1 . . . . 101 LEU HD2 . 11221 1 1166 . 1 1 101 101 LEU HD22 H 1 0.899 0.030 . 1 . . . . 101 LEU HD2 . 11221 1 1167 . 1 1 101 101 LEU HD23 H 1 0.899 0.030 . 1 . . . . 101 LEU HD2 . 11221 1 1168 . 1 1 101 101 LEU HG H 1 1.371 0.030 . 1 . . . . 101 LEU HG . 11221 1 1169 . 1 1 101 101 LEU C C 13 175.484 0.300 . 1 . . . . 101 LEU C . 11221 1 1170 . 1 1 101 101 LEU CA C 13 53.181 0.300 . 1 . . . . 101 LEU CA . 11221 1 1171 . 1 1 101 101 LEU CB C 13 45.174 0.300 . 1 . . . . 101 LEU CB . 11221 1 1172 . 1 1 101 101 LEU CD1 C 13 26.571 0.300 . 2 . . . . 101 LEU CD1 . 11221 1 1173 . 1 1 101 101 LEU CD2 C 13 23.901 0.300 . 2 . . . . 101 LEU CD2 . 11221 1 1174 . 1 1 101 101 LEU CG C 13 27.710 0.300 . 1 . . . . 101 LEU CG . 11221 1 1175 . 1 1 101 101 LEU N N 15 122.994 0.300 . 1 . . . . 101 LEU N . 11221 1 1176 . 1 1 102 102 THR H H 1 9.252 0.030 . 1 . . . . 102 THR H . 11221 1 1177 . 1 1 102 102 THR HA H 1 4.672 0.030 . 1 . . . . 102 THR HA . 11221 1 1178 . 1 1 102 102 THR HB H 1 3.946 0.030 . 1 . . . . 102 THR HB . 11221 1 1179 . 1 1 102 102 THR HG21 H 1 1.143 0.030 . 1 . . . . 102 THR HG2 . 11221 1 1180 . 1 1 102 102 THR HG22 H 1 1.143 0.030 . 1 . . . . 102 THR HG2 . 11221 1 1181 . 1 1 102 102 THR HG23 H 1 1.143 0.030 . 1 . . . . 102 THR HG2 . 11221 1 1182 . 1 1 102 102 THR C C 13 172.552 0.300 . 1 . . . . 102 THR C . 11221 1 1183 . 1 1 102 102 THR CA C 13 61.931 0.300 . 1 . . . . 102 THR CA . 11221 1 1184 . 1 1 102 102 THR CB C 13 70.463 0.300 . 1 . . . . 102 THR CB . 11221 1 1185 . 1 1 102 102 THR CG2 C 13 21.737 0.300 . 1 . . . . 102 THR CG2 . 11221 1 1186 . 1 1 102 102 THR N N 15 123.589 0.300 . 1 . . . . 102 THR N . 11221 1 1187 . 1 1 103 103 ILE H H 1 8.471 0.030 . 1 . . . . 103 ILE H . 11221 1 1188 . 1 1 103 103 ILE HA H 1 4.880 0.030 . 1 . . . . 103 ILE HA . 11221 1 1189 . 1 1 103 103 ILE HB H 1 1.588 0.030 . 1 . . . . 103 ILE HB . 11221 1 1190 . 1 1 103 103 ILE HD11 H 1 0.614 0.030 . 1 . . . . 103 ILE HD1 . 11221 1 1191 . 1 1 103 103 ILE HD12 H 1 0.614 0.030 . 1 . . . . 103 ILE HD1 . 11221 1 1192 . 1 1 103 103 ILE HD13 H 1 0.614 0.030 . 1 . . . . 103 ILE HD1 . 11221 1 1193 . 1 1 103 103 ILE HG12 H 1 1.322 0.030 . 2 . . . . 103 ILE HG12 . 11221 1 1194 . 1 1 103 103 ILE HG13 H 1 0.795 0.030 . 2 . . . . 103 ILE HG13 . 11221 1 1195 . 1 1 103 103 ILE HG21 H 1 0.664 0.030 . 1 . . . . 103 ILE HG2 . 11221 1 1196 . 1 1 103 103 ILE HG22 H 1 0.664 0.030 . 1 . . . . 103 ILE HG2 . 11221 1 1197 . 1 1 103 103 ILE HG23 H 1 0.664 0.030 . 1 . . . . 103 ILE HG2 . 11221 1 1198 . 1 1 103 103 ILE C C 13 175.951 0.300 . 1 . . . . 103 ILE C . 11221 1 1199 . 1 1 103 103 ILE CA C 13 58.513 0.300 . 1 . . . . 103 ILE CA . 11221 1 1200 . 1 1 103 103 ILE CB C 13 40.409 0.300 . 1 . . . . 103 ILE CB . 11221 1 1201 . 1 1 103 103 ILE CD1 C 13 14.257 0.300 . 1 . . . . 103 ILE CD1 . 11221 1 1202 . 1 1 103 103 ILE CG1 C 13 27.802 0.300 . 1 . . . . 103 ILE CG1 . 11221 1 1203 . 1 1 103 103 ILE CG2 C 13 17.862 0.300 . 1 . . . . 103 ILE CG2 . 11221 1 1204 . 1 1 103 103 ILE N N 15 125.479 0.300 . 1 . . . . 103 ILE N . 11221 1 1205 . 1 1 104 104 GLN H H 1 8.757 0.030 . 1 . . . . 104 GLN H . 11221 1 1206 . 1 1 104 104 GLN HA H 1 4.445 0.030 . 1 . . . . 104 GLN HA . 11221 1 1207 . 1 1 104 104 GLN HB2 H 1 1.967 0.030 . 2 . . . . 104 GLN HB2 . 11221 1 1208 . 1 1 104 104 GLN HB3 H 1 1.535 0.030 . 2 . . . . 104 GLN HB3 . 11221 1 1209 . 1 1 104 104 GLN HE21 H 1 6.623 0.030 . 2 . . . . 104 GLN HE21 . 11221 1 1210 . 1 1 104 104 GLN HE22 H 1 6.900 0.030 . 2 . . . . 104 GLN HE22 . 11221 1 1211 . 1 1 104 104 GLN HG2 H 1 2.037 0.030 . 1 . . . . 104 GLN HG2 . 11221 1 1212 . 1 1 104 104 GLN HG3 H 1 2.037 0.030 . 1 . . . . 104 GLN HG3 . 11221 1 1213 . 1 1 104 104 GLN C C 13 175.333 0.300 . 1 . . . . 104 GLN C . 11221 1 1214 . 1 1 104 104 GLN CA C 13 55.021 0.300 . 1 . . . . 104 GLN CA . 11221 1 1215 . 1 1 104 104 GLN CB C 13 30.698 0.300 . 1 . . . . 104 GLN CB . 11221 1 1216 . 1 1 104 104 GLN CG C 13 33.540 0.300 . 1 . . . . 104 GLN CG . 11221 1 1217 . 1 1 104 104 GLN N N 15 126.875 0.300 . 1 . . . . 104 GLN N . 11221 1 1218 . 1 1 104 104 GLN NE2 N 15 110.307 0.300 . 1 . . . . 104 GLN NE2 . 11221 1 1219 . 1 1 105 105 GLU H H 1 8.704 0.030 . 1 . . . . 105 GLU H . 11221 1 1220 . 1 1 105 105 GLU HA H 1 4.113 0.030 . 1 . . . . 105 GLU HA . 11221 1 1221 . 1 1 105 105 GLU HB2 H 1 1.724 0.030 . 2 . . . . 105 GLU HB2 . 11221 1 1222 . 1 1 105 105 GLU HB3 H 1 1.879 0.030 . 2 . . . . 105 GLU HB3 . 11221 1 1223 . 1 1 105 105 GLU HG2 H 1 2.012 0.030 . 1 . . . . 105 GLU HG2 . 11221 1 1224 . 1 1 105 105 GLU HG3 H 1 2.012 0.030 . 1 . . . . 105 GLU HG3 . 11221 1 1225 . 1 1 105 105 GLU C C 13 176.534 0.300 . 1 . . . . 105 GLU C . 11221 1 1226 . 1 1 105 105 GLU CA C 13 57.138 0.300 . 1 . . . . 105 GLU CA . 11221 1 1227 . 1 1 105 105 GLU CB C 13 30.519 0.300 . 1 . . . . 105 GLU CB . 11221 1 1228 . 1 1 105 105 GLU CG C 13 36.189 0.300 . 1 . . . . 105 GLU CG . 11221 1 1229 . 1 1 105 105 GLU N N 15 121.944 0.300 . 1 . . . . 105 GLU N . 11221 1 1230 . 1 1 106 106 SER H H 1 8.594 0.030 . 1 . . . . 106 SER H . 11221 1 1231 . 1 1 106 106 SER HA H 1 4.514 0.030 . 1 . . . . 106 SER HA . 11221 1 1232 . 1 1 106 106 SER HB2 H 1 3.879 0.030 . 2 . . . . 106 SER HB2 . 11221 1 1233 . 1 1 106 106 SER HB3 H 1 3.935 0.030 . 2 . . . . 106 SER HB3 . 11221 1 1234 . 1 1 106 106 SER C C 13 174.498 0.300 . 1 . . . . 106 SER C . 11221 1 1235 . 1 1 106 106 SER CA C 13 58.093 0.300 . 1 . . . . 106 SER CA . 11221 1 1236 . 1 1 106 106 SER CB C 13 64.087 0.300 . 1 . . . . 106 SER CB . 11221 1 1237 . 1 1 106 106 SER N N 15 116.398 0.300 . 1 . . . . 106 SER N . 11221 1 1238 . 1 1 107 107 SER H H 1 8.408 0.030 . 1 . . . . 107 SER H . 11221 1 1239 . 1 1 107 107 SER HA H 1 4.547 0.030 . 1 . . . . 107 SER HA . 11221 1 1240 . 1 1 107 107 SER HB2 H 1 3.880 0.030 . 1 . . . . 107 SER HB2 . 11221 1 1241 . 1 1 107 107 SER HB3 H 1 3.880 0.030 . 1 . . . . 107 SER HB3 . 11221 1 1242 . 1 1 107 107 SER C C 13 174.574 0.300 . 1 . . . . 107 SER C . 11221 1 1243 . 1 1 107 107 SER CA C 13 58.323 0.300 . 1 . . . . 107 SER CA . 11221 1 1244 . 1 1 107 107 SER CB C 13 64.084 0.300 . 1 . . . . 107 SER CB . 11221 1 1245 . 1 1 107 107 SER N N 15 117.581 0.300 . 1 . . . . 107 SER N . 11221 1 1246 . 1 1 108 108 GLY H H 1 8.169 0.030 . 1 . . . . 108 GLY H . 11221 1 1247 . 1 1 108 108 GLY HA2 H 1 3.898 0.030 . 2 . . . . 108 GLY HA2 . 11221 1 1248 . 1 1 108 108 GLY HA3 H 1 3.970 0.030 . 2 . . . . 108 GLY HA3 . 11221 1 1249 . 1 1 108 108 GLY C C 13 171.676 0.300 . 1 . . . . 108 GLY C . 11221 1 1250 . 1 1 108 108 GLY CA C 13 44.478 0.300 . 1 . . . . 108 GLY CA . 11221 1 1251 . 1 1 108 108 GLY N N 15 110.557 0.300 . 1 . . . . 108 GLY N . 11221 1 1252 . 1 1 109 109 PRO HA H 1 4.457 0.030 . 1 . . . . 109 PRO HA . 11221 1 1253 . 1 1 109 109 PRO HB2 H 1 1.968 0.030 . 2 . . . . 109 PRO HB2 . 11221 1 1254 . 1 1 109 109 PRO HB3 H 1 2.285 0.030 . 2 . . . . 109 PRO HB3 . 11221 1 1255 . 1 1 109 109 PRO HD2 H 1 3.513 0.030 . 2 . . . . 109 PRO HD2 . 11221 1 1256 . 1 1 109 109 PRO HD3 H 1 3.577 0.030 . 2 . . . . 109 PRO HD3 . 11221 1 1257 . 1 1 109 109 PRO HG2 H 1 2.003 0.030 . 1 . . . . 109 PRO HG2 . 11221 1 1258 . 1 1 109 109 PRO HG3 H 1 2.003 0.030 . 1 . . . . 109 PRO HG3 . 11221 1 1259 . 1 1 109 109 PRO C C 13 177.383 0.300 . 1 . . . . 109 PRO C . 11221 1 1260 . 1 1 109 109 PRO CA C 13 63.138 0.300 . 1 . . . . 109 PRO CA . 11221 1 1261 . 1 1 109 109 PRO CB C 13 32.146 0.300 . 1 . . . . 109 PRO CB . 11221 1 1262 . 1 1 109 109 PRO CD C 13 49.770 0.300 . 1 . . . . 109 PRO CD . 11221 1 1263 . 1 1 109 109 PRO CG C 13 27.042 0.300 . 1 . . . . 109 PRO CG . 11221 1 1264 . 1 1 110 110 SER H H 1 8.514 0.030 . 1 . . . . 110 SER H . 11221 1 1265 . 1 1 110 110 SER HA H 1 4.513 0.030 . 1 . . . . 110 SER HA . 11221 1 1266 . 1 1 110 110 SER HB2 H 1 3.914 0.030 . 1 . . . . 110 SER HB2 . 11221 1 1267 . 1 1 110 110 SER HB3 H 1 3.914 0.030 . 1 . . . . 110 SER HB3 . 11221 1 1268 . 1 1 110 110 SER C C 13 174.717 0.300 . 1 . . . . 110 SER C . 11221 1 1269 . 1 1 110 110 SER CA C 13 58.338 0.300 . 1 . . . . 110 SER CA . 11221 1 1270 . 1 1 110 110 SER CB C 13 63.905 0.300 . 1 . . . . 110 SER CB . 11221 1 1271 . 1 1 110 110 SER N N 15 116.520 0.300 . 1 . . . . 110 SER N . 11221 1 1272 . 1 1 111 111 SER H H 1 8.335 0.030 . 1 . . . . 111 SER H . 11221 1 1273 . 1 1 111 111 SER HA H 1 4.512 0.030 . 1 . . . . 111 SER HA . 11221 1 1274 . 1 1 111 111 SER HB2 H 1 3.905 0.030 . 1 . . . . 111 SER HB2 . 11221 1 1275 . 1 1 111 111 SER HB3 H 1 3.905 0.030 . 1 . . . . 111 SER HB3 . 11221 1 1276 . 1 1 111 111 SER C C 13 173.960 0.300 . 1 . . . . 111 SER C . 11221 1 1277 . 1 1 111 111 SER CA C 13 58.419 0.300 . 1 . . . . 111 SER CA . 11221 1 1278 . 1 1 111 111 SER CB C 13 64.144 0.300 . 1 . . . . 111 SER CB . 11221 1 1279 . 1 1 111 111 SER N N 15 117.961 0.300 . 1 . . . . 111 SER N . 11221 1 1280 . 1 1 112 112 GLY H H 1 8.046 0.030 . 1 . . . . 112 GLY H . 11221 1 1281 . 1 1 112 112 GLY HA2 H 1 3.766 0.030 . 2 . . . . 112 GLY HA2 . 11221 1 1282 . 1 1 112 112 GLY HA3 H 1 3.800 0.030 . 2 . . . . 112 GLY HA3 . 11221 1 1283 . 1 1 112 112 GLY C C 13 179.029 0.300 . 1 . . . . 112 GLY C . 11221 1 1284 . 1 1 112 112 GLY CA C 13 46.230 0.300 . 1 . . . . 112 GLY CA . 11221 1 1285 . 1 1 112 112 GLY N N 15 116.924 0.300 . 1 . . . . 112 GLY N . 11221 1 stop_ save_