data_11216 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11216 _Entry.Title ; Solution structure of the third PDZ domain of PDZ domain containing 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 . . . 11216 2 T. Nagashima . . . 11216 3 F. Hayashi . . . 11216 4 S. Yokoyama . . . 11216 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)' . 11216 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11216 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 410 11216 '15N chemical shifts' 99 11216 '1H chemical shifts' 663 11216 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 . 11216 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D90 'BMRB Entry Tracking System' 11216 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11216 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the third PDZ domain of PDZ domain containing 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 . . . 11216 1 2 T. Nagashima . . . 11216 1 3 F. Hayashi . . . 11216 1 4 S. Yokoyama . . . 11216 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11216 _Assembly.ID 1 _Assembly.Name 'PDZ domain containing 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 'PDZ domain containing protein 1' 1 $entity_1 A . yes native no no . . . 11216 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 2d90 . . . . . . 11216 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11216 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGRVVVIKKGSNGYG FYLRAGPEQKGQIIKDIEPG SPAEAAGLKNNDLVVAVNGK SVEALDHDGVVEMIRKGGDQ TTLLVLDKEAESIYSLSGPS SG ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2D90 . "Solution Structure Of The Third Pdz Domain Of Pdz Domain Containing Protein 1" . . . . . 100.00 102 100.00 100.00 1.44e-63 . . . . 11216 1 2 no PDB 3R69 . "Molecular Analysis Of The Interaction Of The Hdl-Receptor Sr-Bi With The Pdz3 Domain Of Its Adaptor Protein Pdzk1" . . . . . 82.35 89 97.62 98.81 1.41e-49 . . . . 11216 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 11216 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 . 11216 1 2 . SER . 11216 1 3 . SER . 11216 1 4 . GLY . 11216 1 5 . SER . 11216 1 6 . SER . 11216 1 7 . GLY . 11216 1 8 . ARG . 11216 1 9 . VAL . 11216 1 10 . VAL . 11216 1 11 . VAL . 11216 1 12 . ILE . 11216 1 13 . LYS . 11216 1 14 . LYS . 11216 1 15 . GLY . 11216 1 16 . SER . 11216 1 17 . ASN . 11216 1 18 . GLY . 11216 1 19 . TYR . 11216 1 20 . GLY . 11216 1 21 . PHE . 11216 1 22 . TYR . 11216 1 23 . LEU . 11216 1 24 . ARG . 11216 1 25 . ALA . 11216 1 26 . GLY . 11216 1 27 . PRO . 11216 1 28 . GLU . 11216 1 29 . GLN . 11216 1 30 . LYS . 11216 1 31 . GLY . 11216 1 32 . GLN . 11216 1 33 . ILE . 11216 1 34 . ILE . 11216 1 35 . LYS . 11216 1 36 . ASP . 11216 1 37 . ILE . 11216 1 38 . GLU . 11216 1 39 . PRO . 11216 1 40 . GLY . 11216 1 41 . SER . 11216 1 42 . PRO . 11216 1 43 . ALA . 11216 1 44 . GLU . 11216 1 45 . ALA . 11216 1 46 . ALA . 11216 1 47 . GLY . 11216 1 48 . LEU . 11216 1 49 . LYS . 11216 1 50 . ASN . 11216 1 51 . ASN . 11216 1 52 . ASP . 11216 1 53 . LEU . 11216 1 54 . VAL . 11216 1 55 . VAL . 11216 1 56 . ALA . 11216 1 57 . VAL . 11216 1 58 . ASN . 11216 1 59 . GLY . 11216 1 60 . LYS . 11216 1 61 . SER . 11216 1 62 . VAL . 11216 1 63 . GLU . 11216 1 64 . ALA . 11216 1 65 . LEU . 11216 1 66 . ASP . 11216 1 67 . HIS . 11216 1 68 . ASP . 11216 1 69 . GLY . 11216 1 70 . VAL . 11216 1 71 . VAL . 11216 1 72 . GLU . 11216 1 73 . MET . 11216 1 74 . ILE . 11216 1 75 . ARG . 11216 1 76 . LYS . 11216 1 77 . GLY . 11216 1 78 . GLY . 11216 1 79 . ASP . 11216 1 80 . GLN . 11216 1 81 . THR . 11216 1 82 . THR . 11216 1 83 . LEU . 11216 1 84 . LEU . 11216 1 85 . VAL . 11216 1 86 . LEU . 11216 1 87 . ASP . 11216 1 88 . LYS . 11216 1 89 . GLU . 11216 1 90 . ALA . 11216 1 91 . GLU . 11216 1 92 . SER . 11216 1 93 . ILE . 11216 1 94 . TYR . 11216 1 95 . SER . 11216 1 96 . LEU . 11216 1 97 . SER . 11216 1 98 . GLY . 11216 1 99 . PRO . 11216 1 100 . SER . 11216 1 101 . SER . 11216 1 102 . GLY . 11216 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 11216 1 . SER 2 2 11216 1 . SER 3 3 11216 1 . GLY 4 4 11216 1 . SER 5 5 11216 1 . SER 6 6 11216 1 . GLY 7 7 11216 1 . ARG 8 8 11216 1 . VAL 9 9 11216 1 . VAL 10 10 11216 1 . VAL 11 11 11216 1 . ILE 12 12 11216 1 . LYS 13 13 11216 1 . LYS 14 14 11216 1 . GLY 15 15 11216 1 . SER 16 16 11216 1 . ASN 17 17 11216 1 . GLY 18 18 11216 1 . TYR 19 19 11216 1 . GLY 20 20 11216 1 . PHE 21 21 11216 1 . TYR 22 22 11216 1 . LEU 23 23 11216 1 . ARG 24 24 11216 1 . ALA 25 25 11216 1 . GLY 26 26 11216 1 . PRO 27 27 11216 1 . GLU 28 28 11216 1 . GLN 29 29 11216 1 . LYS 30 30 11216 1 . GLY 31 31 11216 1 . GLN 32 32 11216 1 . ILE 33 33 11216 1 . ILE 34 34 11216 1 . LYS 35 35 11216 1 . ASP 36 36 11216 1 . ILE 37 37 11216 1 . GLU 38 38 11216 1 . PRO 39 39 11216 1 . GLY 40 40 11216 1 . SER 41 41 11216 1 . PRO 42 42 11216 1 . ALA 43 43 11216 1 . GLU 44 44 11216 1 . ALA 45 45 11216 1 . ALA 46 46 11216 1 . GLY 47 47 11216 1 . LEU 48 48 11216 1 . LYS 49 49 11216 1 . ASN 50 50 11216 1 . ASN 51 51 11216 1 . ASP 52 52 11216 1 . LEU 53 53 11216 1 . VAL 54 54 11216 1 . VAL 55 55 11216 1 . ALA 56 56 11216 1 . VAL 57 57 11216 1 . ASN 58 58 11216 1 . GLY 59 59 11216 1 . LYS 60 60 11216 1 . SER 61 61 11216 1 . VAL 62 62 11216 1 . GLU 63 63 11216 1 . ALA 64 64 11216 1 . LEU 65 65 11216 1 . ASP 66 66 11216 1 . HIS 67 67 11216 1 . ASP 68 68 11216 1 . GLY 69 69 11216 1 . VAL 70 70 11216 1 . VAL 71 71 11216 1 . GLU 72 72 11216 1 . MET 73 73 11216 1 . ILE 74 74 11216 1 . ARG 75 75 11216 1 . LYS 76 76 11216 1 . GLY 77 77 11216 1 . GLY 78 78 11216 1 . ASP 79 79 11216 1 . GLN 80 80 11216 1 . THR 81 81 11216 1 . THR 82 82 11216 1 . LEU 83 83 11216 1 . LEU 84 84 11216 1 . VAL 85 85 11216 1 . LEU 86 86 11216 1 . ASP 87 87 11216 1 . LYS 88 88 11216 1 . GLU 89 89 11216 1 . ALA 90 90 11216 1 . GLU 91 91 11216 1 . SER 92 92 11216 1 . ILE 93 93 11216 1 . TYR 94 94 11216 1 . SER 95 95 11216 1 . LEU 96 96 11216 1 . SER 97 97 11216 1 . GLY 98 98 11216 1 . PRO 99 99 11216 1 . SER 100 100 11216 1 . SER 101 101 11216 1 . GLY 102 102 11216 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 11216 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11216 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 11216 _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 . . P050425-05 . . . . . . 11216 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11216 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.14mM 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 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.14 . . mM . . . . 11216 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11216 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11216 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11216 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11216 1 6 H2O . . . . . . solvent 90 . . % . . . . 11216 1 7 D2O . . . . . . solvent 10 . . % . . . . 11216 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 11216 _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 11216 1 pH 7.0 0.05 pH 11216 1 pressure 1 0.001 atm 11216 1 temperature 298 0.1 K 11216 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11216 _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 . . 11216 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11216 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11216 _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.' . . 11216 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11216 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11216 _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.' . . 11216 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11216 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11216 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9296 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11216 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11216 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11216 _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.' . . 11216 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11216 5 'structure solution' 11216 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 11216 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11216 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11216 _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 . . . 11216 1 2 spectrometer_2 Varian INOVA . 900 . . . 11216 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 11216 _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 . . . . . . . . . . . . . . . . 11216 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11216 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 11216 _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 . . . . . . . . . 11216 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11216 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11216 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 11216 _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 11216 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11216 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 . . 11216 1 2 $NMRPipe . . 11216 1 3 $NMRView . . 11216 1 4 $Kujira . . 11216 1 5 $CYANA . . 11216 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER H H 1 8.372 0.030 . 1 . . . . 6 SER H . 11216 1 2 . 1 1 6 6 SER HA H 1 4.538 0.030 . 1 . . . . 6 SER HA . 11216 1 3 . 1 1 6 6 SER HB2 H 1 3.895 0.030 . 1 . . . . 6 SER HB2 . 11216 1 4 . 1 1 6 6 SER HB3 H 1 3.895 0.030 . 1 . . . . 6 SER HB3 . 11216 1 5 . 1 1 6 6 SER C C 13 174.024 0.300 . 1 . . . . 6 SER C . 11216 1 6 . 1 1 6 6 SER CA C 13 58.345 0.300 . 1 . . . . 6 SER CA . 11216 1 7 . 1 1 6 6 SER CB C 13 63.914 0.300 . 1 . . . . 6 SER CB . 11216 1 8 . 1 1 7 7 GLY H H 1 8.128 0.030 . 1 . . . . 7 GLY H . 11216 1 9 . 1 1 7 7 GLY HA2 H 1 4.178 0.030 . 2 . . . . 7 GLY HA2 . 11216 1 10 . 1 1 7 7 GLY HA3 H 1 3.857 0.030 . 2 . . . . 7 GLY HA3 . 11216 1 11 . 1 1 7 7 GLY C C 13 172.524 0.300 . 1 . . . . 7 GLY C . 11216 1 12 . 1 1 7 7 GLY CA C 13 44.915 0.300 . 1 . . . . 7 GLY CA . 11216 1 13 . 1 1 7 7 GLY N N 15 109.185 0.300 . 1 . . . . 7 GLY N . 11216 1 14 . 1 1 8 8 ARG H H 1 8.985 0.030 . 1 . . . . 8 ARG H . 11216 1 15 . 1 1 8 8 ARG HA H 1 4.672 0.030 . 1 . . . . 8 ARG HA . 11216 1 16 . 1 1 8 8 ARG HB2 H 1 1.673 0.030 . 1 . . . . 8 ARG HB2 . 11216 1 17 . 1 1 8 8 ARG HB3 H 1 1.673 0.030 . 1 . . . . 8 ARG HB3 . 11216 1 18 . 1 1 8 8 ARG HD2 H 1 3.134 0.030 . 1 . . . . 8 ARG HD2 . 11216 1 19 . 1 1 8 8 ARG HD3 H 1 3.134 0.030 . 1 . . . . 8 ARG HD3 . 11216 1 20 . 1 1 8 8 ARG HE H 1 7.498 0.030 . 1 . . . . 8 ARG HE . 11216 1 21 . 1 1 8 8 ARG HG2 H 1 1.524 0.030 . 2 . . . . 8 ARG HG2 . 11216 1 22 . 1 1 8 8 ARG HG3 H 1 1.413 0.030 . 2 . . . . 8 ARG HG3 . 11216 1 23 . 1 1 8 8 ARG C C 13 174.062 0.300 . 1 . . . . 8 ARG C . 11216 1 24 . 1 1 8 8 ARG CA C 13 54.386 0.300 . 1 . . . . 8 ARG CA . 11216 1 25 . 1 1 8 8 ARG CB C 13 32.747 0.300 . 1 . . . . 8 ARG CB . 11216 1 26 . 1 1 8 8 ARG CD C 13 43.378 0.300 . 1 . . . . 8 ARG CD . 11216 1 27 . 1 1 8 8 ARG CG C 13 27.299 0.300 . 1 . . . . 8 ARG CG . 11216 1 28 . 1 1 8 8 ARG N N 15 121.514 0.300 . 1 . . . . 8 ARG N . 11216 1 29 . 1 1 8 8 ARG NE N 15 84.876 0.300 . 1 . . . . 8 ARG NE . 11216 1 30 . 1 1 9 9 VAL H H 1 8.469 0.030 . 1 . . . . 9 VAL H . 11216 1 31 . 1 1 9 9 VAL HA H 1 4.607 0.030 . 1 . . . . 9 VAL HA . 11216 1 32 . 1 1 9 9 VAL HB H 1 1.875 0.030 . 1 . . . . 9 VAL HB . 11216 1 33 . 1 1 9 9 VAL HG11 H 1 0.748 0.030 . 1 . . . . 9 VAL HG1 . 11216 1 34 . 1 1 9 9 VAL HG12 H 1 0.748 0.030 . 1 . . . . 9 VAL HG1 . 11216 1 35 . 1 1 9 9 VAL HG13 H 1 0.748 0.030 . 1 . . . . 9 VAL HG1 . 11216 1 36 . 1 1 9 9 VAL HG21 H 1 0.879 0.030 . 1 . . . . 9 VAL HG2 . 11216 1 37 . 1 1 9 9 VAL HG22 H 1 0.879 0.030 . 1 . . . . 9 VAL HG2 . 11216 1 38 . 1 1 9 9 VAL HG23 H 1 0.879 0.030 . 1 . . . . 9 VAL HG2 . 11216 1 39 . 1 1 9 9 VAL C C 13 176.488 0.300 . 1 . . . . 9 VAL C . 11216 1 40 . 1 1 9 9 VAL CA C 13 62.148 0.300 . 1 . . . . 9 VAL CA . 11216 1 41 . 1 1 9 9 VAL CB C 13 32.179 0.300 . 1 . . . . 9 VAL CB . 11216 1 42 . 1 1 9 9 VAL CG1 C 13 21.686 0.300 . 2 . . . . 9 VAL CG1 . 11216 1 43 . 1 1 9 9 VAL CG2 C 13 21.965 0.300 . 2 . . . . 9 VAL CG2 . 11216 1 44 . 1 1 9 9 VAL N N 15 124.733 0.300 . 1 . . . . 9 VAL N . 11216 1 45 . 1 1 10 10 VAL H H 1 9.325 0.030 . 1 . . . . 10 VAL H . 11216 1 46 . 1 1 10 10 VAL HA H 1 4.324 0.030 . 1 . . . . 10 VAL HA . 11216 1 47 . 1 1 10 10 VAL HB H 1 1.817 0.030 . 1 . . . . 10 VAL HB . 11216 1 48 . 1 1 10 10 VAL HG11 H 1 0.769 0.030 . 1 . . . . 10 VAL HG1 . 11216 1 49 . 1 1 10 10 VAL HG12 H 1 0.769 0.030 . 1 . . . . 10 VAL HG1 . 11216 1 50 . 1 1 10 10 VAL HG13 H 1 0.769 0.030 . 1 . . . . 10 VAL HG1 . 11216 1 51 . 1 1 10 10 VAL HG21 H 1 0.766 0.030 . 1 . . . . 10 VAL HG2 . 11216 1 52 . 1 1 10 10 VAL HG22 H 1 0.766 0.030 . 1 . . . . 10 VAL HG2 . 11216 1 53 . 1 1 10 10 VAL HG23 H 1 0.766 0.030 . 1 . . . . 10 VAL HG2 . 11216 1 54 . 1 1 10 10 VAL C C 13 173.746 0.300 . 1 . . . . 10 VAL C . 11216 1 55 . 1 1 10 10 VAL CA C 13 61.357 0.300 . 1 . . . . 10 VAL CA . 11216 1 56 . 1 1 10 10 VAL CB C 13 34.537 0.300 . 1 . . . . 10 VAL CB . 11216 1 57 . 1 1 10 10 VAL CG1 C 13 21.737 0.300 . 2 . . . . 10 VAL CG1 . 11216 1 58 . 1 1 10 10 VAL CG2 C 13 20.813 0.300 . 2 . . . . 10 VAL CG2 . 11216 1 59 . 1 1 10 10 VAL N N 15 129.804 0.300 . 1 . . . . 10 VAL N . 11216 1 60 . 1 1 11 11 VAL H H 1 8.542 0.030 . 1 . . . . 11 VAL H . 11216 1 61 . 1 1 11 11 VAL HA H 1 4.755 0.030 . 1 . . . . 11 VAL HA . 11216 1 62 . 1 1 11 11 VAL HB H 1 1.920 0.030 . 1 . . . . 11 VAL HB . 11216 1 63 . 1 1 11 11 VAL HG11 H 1 0.790 0.030 . 1 . . . . 11 VAL HG1 . 11216 1 64 . 1 1 11 11 VAL HG12 H 1 0.790 0.030 . 1 . . . . 11 VAL HG1 . 11216 1 65 . 1 1 11 11 VAL HG13 H 1 0.790 0.030 . 1 . . . . 11 VAL HG1 . 11216 1 66 . 1 1 11 11 VAL HG21 H 1 0.944 0.030 . 1 . . . . 11 VAL HG2 . 11216 1 67 . 1 1 11 11 VAL HG22 H 1 0.944 0.030 . 1 . . . . 11 VAL HG2 . 11216 1 68 . 1 1 11 11 VAL HG23 H 1 0.944 0.030 . 1 . . . . 11 VAL HG2 . 11216 1 69 . 1 1 11 11 VAL C C 13 175.793 0.300 . 1 . . . . 11 VAL C . 11216 1 70 . 1 1 11 11 VAL CA C 13 61.638 0.300 . 1 . . . . 11 VAL CA . 11216 1 71 . 1 1 11 11 VAL CB C 13 32.725 0.300 . 1 . . . . 11 VAL CB . 11216 1 72 . 1 1 11 11 VAL CG1 C 13 20.659 0.300 . 2 . . . . 11 VAL CG1 . 11216 1 73 . 1 1 11 11 VAL CG2 C 13 20.968 0.300 . 2 . . . . 11 VAL CG2 . 11216 1 74 . 1 1 11 11 VAL N N 15 128.408 0.300 . 1 . . . . 11 VAL N . 11216 1 75 . 1 1 12 12 ILE H H 1 9.055 0.030 . 1 . . . . 12 ILE H . 11216 1 76 . 1 1 12 12 ILE HA H 1 4.483 0.030 . 1 . . . . 12 ILE HA . 11216 1 77 . 1 1 12 12 ILE HB H 1 1.697 0.030 . 1 . . . . 12 ILE HB . 11216 1 78 . 1 1 12 12 ILE HD11 H 1 0.612 0.030 . 1 . . . . 12 ILE HD1 . 11216 1 79 . 1 1 12 12 ILE HD12 H 1 0.612 0.030 . 1 . . . . 12 ILE HD1 . 11216 1 80 . 1 1 12 12 ILE HD13 H 1 0.612 0.030 . 1 . . . . 12 ILE HD1 . 11216 1 81 . 1 1 12 12 ILE HG12 H 1 1.436 0.030 . 2 . . . . 12 ILE HG12 . 11216 1 82 . 1 1 12 12 ILE HG13 H 1 0.772 0.030 . 2 . . . . 12 ILE HG13 . 11216 1 83 . 1 1 12 12 ILE HG21 H 1 1.064 0.030 . 1 . . . . 12 ILE HG2 . 11216 1 84 . 1 1 12 12 ILE HG22 H 1 1.064 0.030 . 1 . . . . 12 ILE HG2 . 11216 1 85 . 1 1 12 12 ILE HG23 H 1 1.064 0.030 . 1 . . . . 12 ILE HG2 . 11216 1 86 . 1 1 12 12 ILE C C 13 174.514 0.300 . 1 . . . . 12 ILE C . 11216 1 87 . 1 1 12 12 ILE CA C 13 60.215 0.300 . 1 . . . . 12 ILE CA . 11216 1 88 . 1 1 12 12 ILE CB C 13 40.857 0.300 . 1 . . . . 12 ILE CB . 11216 1 89 . 1 1 12 12 ILE CD1 C 13 15.614 0.300 . 1 . . . . 12 ILE CD1 . 11216 1 90 . 1 1 12 12 ILE CG1 C 13 27.806 0.300 . 1 . . . . 12 ILE CG1 . 11216 1 91 . 1 1 12 12 ILE CG2 C 13 20.837 0.300 . 1 . . . . 12 ILE CG2 . 11216 1 92 . 1 1 12 12 ILE N N 15 125.632 0.300 . 1 . . . . 12 ILE N . 11216 1 93 . 1 1 13 13 LYS H H 1 8.680 0.030 . 1 . . . . 13 LYS H . 11216 1 94 . 1 1 13 13 LYS HA H 1 4.848 0.030 . 1 . . . . 13 LYS HA . 11216 1 95 . 1 1 13 13 LYS HB2 H 1 1.903 0.030 . 2 . . . . 13 LYS HB2 . 11216 1 96 . 1 1 13 13 LYS HB3 H 1 1.761 0.030 . 2 . . . . 13 LYS HB3 . 11216 1 97 . 1 1 13 13 LYS HD2 H 1 1.712 0.030 . 1 . . . . 13 LYS HD2 . 11216 1 98 . 1 1 13 13 LYS HD3 H 1 1.712 0.030 . 1 . . . . 13 LYS HD3 . 11216 1 99 . 1 1 13 13 LYS HE2 H 1 2.994 0.030 . 1 . . . . 13 LYS HE2 . 11216 1 100 . 1 1 13 13 LYS HE3 H 1 2.994 0.030 . 1 . . . . 13 LYS HE3 . 11216 1 101 . 1 1 13 13 LYS HG2 H 1 1.524 0.030 . 2 . . . . 13 LYS HG2 . 11216 1 102 . 1 1 13 13 LYS HG3 H 1 1.462 0.030 . 2 . . . . 13 LYS HG3 . 11216 1 103 . 1 1 13 13 LYS C C 13 175.839 0.300 . 1 . . . . 13 LYS C . 11216 1 104 . 1 1 13 13 LYS CA C 13 55.265 0.300 . 1 . . . . 13 LYS CA . 11216 1 105 . 1 1 13 13 LYS CB C 13 33.371 0.300 . 1 . . . . 13 LYS CB . 11216 1 106 . 1 1 13 13 LYS CD C 13 29.099 0.300 . 1 . . . . 13 LYS CD . 11216 1 107 . 1 1 13 13 LYS CE C 13 42.095 0.300 . 1 . . . . 13 LYS CE . 11216 1 108 . 1 1 13 13 LYS CG C 13 25.135 0.300 . 1 . . . . 13 LYS CG . 11216 1 109 . 1 1 13 13 LYS N N 15 127.268 0.300 . 1 . . . . 13 LYS N . 11216 1 110 . 1 1 14 14 LYS H H 1 8.153 0.030 . 1 . . . . 14 LYS H . 11216 1 111 . 1 1 14 14 LYS HA H 1 3.034 0.030 . 1 . . . . 14 LYS HA . 11216 1 112 . 1 1 14 14 LYS HB2 H 1 1.349 0.030 . 2 . . . . 14 LYS HB2 . 11216 1 113 . 1 1 14 14 LYS HB3 H 1 1.194 0.030 . 2 . . . . 14 LYS HB3 . 11216 1 114 . 1 1 14 14 LYS HD2 H 1 1.441 0.030 . 1 . . . . 14 LYS HD2 . 11216 1 115 . 1 1 14 14 LYS HD3 H 1 1.441 0.030 . 1 . . . . 14 LYS HD3 . 11216 1 116 . 1 1 14 14 LYS HE2 H 1 2.838 0.030 . 2 . . . . 14 LYS HE2 . 11216 1 117 . 1 1 14 14 LYS HE3 H 1 2.810 0.030 . 2 . . . . 14 LYS HE3 . 11216 1 118 . 1 1 14 14 LYS HG2 H 1 1.092 0.030 . 2 . . . . 14 LYS HG2 . 11216 1 119 . 1 1 14 14 LYS HG3 H 1 0.290 0.030 . 2 . . . . 14 LYS HG3 . 11216 1 120 . 1 1 14 14 LYS C C 13 176.990 0.300 . 1 . . . . 14 LYS C . 11216 1 121 . 1 1 14 14 LYS CA C 13 58.510 0.300 . 1 . . . . 14 LYS CA . 11216 1 122 . 1 1 14 14 LYS CB C 13 32.977 0.300 . 1 . . . . 14 LYS CB . 11216 1 123 . 1 1 14 14 LYS CD C 13 29.461 0.300 . 1 . . . . 14 LYS CD . 11216 1 124 . 1 1 14 14 LYS CE C 13 41.658 0.300 . 1 . . . . 14 LYS CE . 11216 1 125 . 1 1 14 14 LYS CG C 13 24.492 0.300 . 1 . . . . 14 LYS CG . 11216 1 126 . 1 1 14 14 LYS N N 15 124.333 0.300 . 1 . . . . 14 LYS N . 11216 1 127 . 1 1 15 15 GLY H H 1 7.122 0.030 . 1 . . . . 15 GLY H . 11216 1 128 . 1 1 15 15 GLY HA2 H 1 4.542 0.030 . 2 . . . . 15 GLY HA2 . 11216 1 129 . 1 1 15 15 GLY HA3 H 1 3.852 0.030 . 2 . . . . 15 GLY HA3 . 11216 1 130 . 1 1 15 15 GLY C C 13 175.495 0.300 . 1 . . . . 15 GLY C . 11216 1 131 . 1 1 15 15 GLY CA C 13 44.000 0.300 . 1 . . . . 15 GLY CA . 11216 1 132 . 1 1 15 15 GLY N N 15 111.663 0.300 . 1 . . . . 15 GLY N . 11216 1 133 . 1 1 16 16 SER HA H 1 4.137 0.030 . 1 . . . . 16 SER HA . 11216 1 134 . 1 1 16 16 SER HB2 H 1 3.873 0.030 . 1 . . . . 16 SER HB2 . 11216 1 135 . 1 1 16 16 SER HB3 H 1 3.873 0.030 . 1 . . . . 16 SER HB3 . 11216 1 136 . 1 1 16 16 SER C C 13 175.140 0.300 . 1 . . . . 16 SER C . 11216 1 137 . 1 1 16 16 SER CA C 13 61.100 0.300 . 1 . . . . 16 SER CA . 11216 1 138 . 1 1 16 16 SER CB C 13 62.867 0.300 . 1 . . . . 16 SER CB . 11216 1 139 . 1 1 17 17 ASN H H 1 8.607 0.030 . 1 . . . . 17 ASN H . 11216 1 140 . 1 1 17 17 ASN HA H 1 5.049 0.030 . 1 . . . . 17 ASN HA . 11216 1 141 . 1 1 17 17 ASN HB2 H 1 2.951 0.030 . 2 . . . . 17 ASN HB2 . 11216 1 142 . 1 1 17 17 ASN HB3 H 1 2.577 0.030 . 2 . . . . 17 ASN HB3 . 11216 1 143 . 1 1 17 17 ASN HD21 H 1 7.676 0.030 . 2 . . . . 17 ASN HD21 . 11216 1 144 . 1 1 17 17 ASN HD22 H 1 6.864 0.030 . 2 . . . . 17 ASN HD22 . 11216 1 145 . 1 1 17 17 ASN C C 13 175.147 0.300 . 1 . . . . 17 ASN C . 11216 1 146 . 1 1 17 17 ASN CA C 13 51.950 0.300 . 1 . . . . 17 ASN CA . 11216 1 147 . 1 1 17 17 ASN CB C 13 39.189 0.300 . 1 . . . . 17 ASN CB . 11216 1 148 . 1 1 17 17 ASN N N 15 118.600 0.300 . 1 . . . . 17 ASN N . 11216 1 149 . 1 1 17 17 ASN ND2 N 15 113.647 0.300 . 1 . . . . 17 ASN ND2 . 11216 1 150 . 1 1 18 18 GLY H H 1 7.508 0.030 . 1 . . . . 18 GLY H . 11216 1 151 . 1 1 18 18 GLY HA2 H 1 4.392 0.030 . 2 . . . . 18 GLY HA2 . 11216 1 152 . 1 1 18 18 GLY HA3 H 1 3.276 0.030 . 2 . . . . 18 GLY HA3 . 11216 1 153 . 1 1 18 18 GLY C C 13 174.851 0.300 . 1 . . . . 18 GLY C . 11216 1 154 . 1 1 18 18 GLY CA C 13 44.724 0.300 . 1 . . . . 18 GLY CA . 11216 1 155 . 1 1 18 18 GLY N N 15 106.757 0.300 . 1 . . . . 18 GLY N . 11216 1 156 . 1 1 19 19 TYR H H 1 8.816 0.030 . 1 . . . . 19 TYR H . 11216 1 157 . 1 1 19 19 TYR HA H 1 4.270 0.030 . 1 . . . . 19 TYR HA . 11216 1 158 . 1 1 19 19 TYR HB2 H 1 2.965 0.030 . 2 . . . . 19 TYR HB2 . 11216 1 159 . 1 1 19 19 TYR HB3 H 1 2.423 0.030 . 2 . . . . 19 TYR HB3 . 11216 1 160 . 1 1 19 19 TYR HD1 H 1 6.879 0.030 . 1 . . . . 19 TYR HD1 . 11216 1 161 . 1 1 19 19 TYR HD2 H 1 6.879 0.030 . 1 . . . . 19 TYR HD2 . 11216 1 162 . 1 1 19 19 TYR HE1 H 1 6.710 0.030 . 1 . . . . 19 TYR HE1 . 11216 1 163 . 1 1 19 19 TYR HE2 H 1 6.710 0.030 . 1 . . . . 19 TYR HE2 . 11216 1 164 . 1 1 19 19 TYR C C 13 176.838 0.300 . 1 . . . . 19 TYR C . 11216 1 165 . 1 1 19 19 TYR CA C 13 61.443 0.300 . 1 . . . . 19 TYR CA . 11216 1 166 . 1 1 19 19 TYR CB C 13 41.283 0.300 . 1 . . . . 19 TYR CB . 11216 1 167 . 1 1 19 19 TYR CD1 C 13 131.897 0.300 . 1 . . . . 19 TYR CD1 . 11216 1 168 . 1 1 19 19 TYR CD2 C 13 131.897 0.300 . 1 . . . . 19 TYR CD2 . 11216 1 169 . 1 1 19 19 TYR CE1 C 13 118.458 0.300 . 1 . . . . 19 TYR CE1 . 11216 1 170 . 1 1 19 19 TYR CE2 C 13 118.458 0.300 . 1 . . . . 19 TYR CE2 . 11216 1 171 . 1 1 19 19 TYR N N 15 119.971 0.300 . 1 . . . . 19 TYR N . 11216 1 172 . 1 1 20 20 GLY H H 1 8.240 0.030 . 1 . . . . 20 GLY H . 11216 1 173 . 1 1 20 20 GLY HA2 H 1 3.806 0.030 . 2 . . . . 20 GLY HA2 . 11216 1 174 . 1 1 20 20 GLY HA3 H 1 4.534 0.030 . 2 . . . . 20 GLY HA3 . 11216 1 175 . 1 1 20 20 GLY C C 13 172.599 0.300 . 1 . . . . 20 GLY C . 11216 1 176 . 1 1 20 20 GLY CA C 13 45.562 0.300 . 1 . . . . 20 GLY CA . 11216 1 177 . 1 1 20 20 GLY N N 15 103.574 0.300 . 1 . . . . 20 GLY N . 11216 1 178 . 1 1 21 21 PHE H H 1 6.522 0.030 . 1 . . . . 21 PHE H . 11216 1 179 . 1 1 21 21 PHE HA H 1 5.148 0.030 . 1 . . . . 21 PHE HA . 11216 1 180 . 1 1 21 21 PHE HB2 H 1 3.015 0.030 . 2 . . . . 21 PHE HB2 . 11216 1 181 . 1 1 21 21 PHE HB3 H 1 2.603 0.030 . 2 . . . . 21 PHE HB3 . 11216 1 182 . 1 1 21 21 PHE HD1 H 1 6.796 0.030 . 1 . . . . 21 PHE HD1 . 11216 1 183 . 1 1 21 21 PHE HD2 H 1 6.796 0.030 . 1 . . . . 21 PHE HD2 . 11216 1 184 . 1 1 21 21 PHE HE1 H 1 6.718 0.030 . 1 . . . . 21 PHE HE1 . 11216 1 185 . 1 1 21 21 PHE HE2 H 1 6.718 0.030 . 1 . . . . 21 PHE HE2 . 11216 1 186 . 1 1 21 21 PHE HZ H 1 6.716 0.030 . 1 . . . . 21 PHE HZ . 11216 1 187 . 1 1 21 21 PHE C C 13 171.872 0.300 . 1 . . . . 21 PHE C . 11216 1 188 . 1 1 21 21 PHE CA C 13 54.689 0.300 . 1 . . . . 21 PHE CA . 11216 1 189 . 1 1 21 21 PHE CB C 13 42.464 0.300 . 1 . . . . 21 PHE CB . 11216 1 190 . 1 1 21 21 PHE CD1 C 13 131.933 0.300 . 1 . . . . 21 PHE CD1 . 11216 1 191 . 1 1 21 21 PHE CD2 C 13 131.933 0.300 . 1 . . . . 21 PHE CD2 . 11216 1 192 . 1 1 21 21 PHE CE1 C 13 130.058 0.300 . 1 . . . . 21 PHE CE1 . 11216 1 193 . 1 1 21 21 PHE CE2 C 13 130.058 0.300 . 1 . . . . 21 PHE CE2 . 11216 1 194 . 1 1 21 21 PHE CZ C 13 128.683 0.300 . 1 . . . . 21 PHE CZ . 11216 1 195 . 1 1 21 21 PHE N N 15 109.748 0.300 . 1 . . . . 21 PHE N . 11216 1 196 . 1 1 22 22 TYR H H 1 8.187 0.030 . 1 . . . . 22 TYR H . 11216 1 197 . 1 1 22 22 TYR HA H 1 4.718 0.030 . 1 . . . . 22 TYR HA . 11216 1 198 . 1 1 22 22 TYR HB2 H 1 3.157 0.030 . 2 . . . . 22 TYR HB2 . 11216 1 199 . 1 1 22 22 TYR HB3 H 1 2.743 0.030 . 2 . . . . 22 TYR HB3 . 11216 1 200 . 1 1 22 22 TYR HD1 H 1 7.203 0.030 . 1 . . . . 22 TYR HD1 . 11216 1 201 . 1 1 22 22 TYR HD2 H 1 7.203 0.030 . 1 . . . . 22 TYR HD2 . 11216 1 202 . 1 1 22 22 TYR HE1 H 1 6.814 0.030 . 1 . . . . 22 TYR HE1 . 11216 1 203 . 1 1 22 22 TYR HE2 H 1 6.814 0.030 . 1 . . . . 22 TYR HE2 . 11216 1 204 . 1 1 22 22 TYR C C 13 174.124 0.300 . 1 . . . . 22 TYR C . 11216 1 205 . 1 1 22 22 TYR CA C 13 56.775 0.300 . 1 . . . . 22 TYR CA . 11216 1 206 . 1 1 22 22 TYR CB C 13 41.145 0.300 . 1 . . . . 22 TYR CB . 11216 1 207 . 1 1 22 22 TYR CD1 C 13 133.645 0.300 . 1 . . . . 22 TYR CD1 . 11216 1 208 . 1 1 22 22 TYR CD2 C 13 133.645 0.300 . 1 . . . . 22 TYR CD2 . 11216 1 209 . 1 1 22 22 TYR CE1 C 13 117.805 0.300 . 1 . . . . 22 TYR CE1 . 11216 1 210 . 1 1 22 22 TYR CE2 C 13 117.805 0.300 . 1 . . . . 22 TYR CE2 . 11216 1 211 . 1 1 22 22 TYR N N 15 119.579 0.300 . 1 . . . . 22 TYR N . 11216 1 212 . 1 1 23 23 LEU H H 1 8.833 0.030 . 1 . . . . 23 LEU H . 11216 1 213 . 1 1 23 23 LEU HA H 1 5.552 0.030 . 1 . . . . 23 LEU HA . 11216 1 214 . 1 1 23 23 LEU HB2 H 1 1.740 0.030 . 1 . . . . 23 LEU HB2 . 11216 1 215 . 1 1 23 23 LEU HB3 H 1 1.740 0.030 . 1 . . . . 23 LEU HB3 . 11216 1 216 . 1 1 23 23 LEU HD11 H 1 0.733 0.030 . 1 . . . . 23 LEU HD1 . 11216 1 217 . 1 1 23 23 LEU HD12 H 1 0.733 0.030 . 1 . . . . 23 LEU HD1 . 11216 1 218 . 1 1 23 23 LEU HD13 H 1 0.733 0.030 . 1 . . . . 23 LEU HD1 . 11216 1 219 . 1 1 23 23 LEU HD21 H 1 0.782 0.030 . 1 . . . . 23 LEU HD2 . 11216 1 220 . 1 1 23 23 LEU HD22 H 1 0.782 0.030 . 1 . . . . 23 LEU HD2 . 11216 1 221 . 1 1 23 23 LEU HD23 H 1 0.782 0.030 . 1 . . . . 23 LEU HD2 . 11216 1 222 . 1 1 23 23 LEU HG H 1 1.626 0.030 . 1 . . . . 23 LEU HG . 11216 1 223 . 1 1 23 23 LEU C C 13 176.362 0.300 . 1 . . . . 23 LEU C . 11216 1 224 . 1 1 23 23 LEU CA C 13 53.700 0.300 . 1 . . . . 23 LEU CA . 11216 1 225 . 1 1 23 23 LEU CB C 13 45.487 0.300 . 1 . . . . 23 LEU CB . 11216 1 226 . 1 1 23 23 LEU CD1 C 13 25.987 0.300 . 2 . . . . 23 LEU CD1 . 11216 1 227 . 1 1 23 23 LEU CD2 C 13 24.505 0.300 . 2 . . . . 23 LEU CD2 . 11216 1 228 . 1 1 23 23 LEU CG C 13 26.829 0.300 . 1 . . . . 23 LEU CG . 11216 1 229 . 1 1 23 23 LEU N N 15 121.892 0.300 . 1 . . . . 23 LEU N . 11216 1 230 . 1 1 24 24 ARG H H 1 9.098 0.030 . 1 . . . . 24 ARG H . 11216 1 231 . 1 1 24 24 ARG HA H 1 4.672 0.030 . 1 . . . . 24 ARG HA . 11216 1 232 . 1 1 24 24 ARG HB2 H 1 1.765 0.030 . 1 . . . . 24 ARG HB2 . 11216 1 233 . 1 1 24 24 ARG HB3 H 1 1.765 0.030 . 1 . . . . 24 ARG HB3 . 11216 1 234 . 1 1 24 24 ARG HD2 H 1 3.169 0.030 . 1 . . . . 24 ARG HD2 . 11216 1 235 . 1 1 24 24 ARG HD3 H 1 3.169 0.030 . 1 . . . . 24 ARG HD3 . 11216 1 236 . 1 1 24 24 ARG HG2 H 1 1.558 0.030 . 1 . . . . 24 ARG HG2 . 11216 1 237 . 1 1 24 24 ARG HG3 H 1 1.558 0.030 . 1 . . . . 24 ARG HG3 . 11216 1 238 . 1 1 24 24 ARG C C 13 174.105 0.300 . 1 . . . . 24 ARG C . 11216 1 239 . 1 1 24 24 ARG CA C 13 54.390 0.300 . 1 . . . . 24 ARG CA . 11216 1 240 . 1 1 24 24 ARG CB C 13 33.817 0.300 . 1 . . . . 24 ARG CB . 11216 1 241 . 1 1 24 24 ARG CD C 13 43.576 0.300 . 1 . . . . 24 ARG CD . 11216 1 242 . 1 1 24 24 ARG CG C 13 26.836 0.300 . 1 . . . . 24 ARG CG . 11216 1 243 . 1 1 24 24 ARG N N 15 119.546 0.300 . 1 . . . . 24 ARG N . 11216 1 244 . 1 1 25 25 ALA H H 1 8.506 0.030 . 1 . . . . 25 ALA H . 11216 1 245 . 1 1 25 25 ALA HA H 1 4.444 0.030 . 1 . . . . 25 ALA HA . 11216 1 246 . 1 1 25 25 ALA HB1 H 1 1.481 0.030 . 1 . . . . 25 ALA HB . 11216 1 247 . 1 1 25 25 ALA HB2 H 1 1.481 0.030 . 1 . . . . 25 ALA HB . 11216 1 248 . 1 1 25 25 ALA HB3 H 1 1.481 0.030 . 1 . . . . 25 ALA HB . 11216 1 249 . 1 1 25 25 ALA C C 13 178.531 0.300 . 1 . . . . 25 ALA C . 11216 1 250 . 1 1 25 25 ALA CA C 13 53.063 0.300 . 1 . . . . 25 ALA CA . 11216 1 251 . 1 1 25 25 ALA CB C 13 19.650 0.300 . 1 . . . . 25 ALA CB . 11216 1 252 . 1 1 25 25 ALA N N 15 124.754 0.300 . 1 . . . . 25 ALA N . 11216 1 253 . 1 1 26 26 GLY H H 1 8.262 0.030 . 1 . . . . 26 GLY H . 11216 1 254 . 1 1 26 26 GLY HA2 H 1 4.333 0.030 . 2 . . . . 26 GLY HA2 . 11216 1 255 . 1 1 26 26 GLY HA3 H 1 3.746 0.030 . 2 . . . . 26 GLY HA3 . 11216 1 256 . 1 1 26 26 GLY C C 13 172.175 0.300 . 1 . . . . 26 GLY C . 11216 1 257 . 1 1 26 26 GLY CA C 13 44.706 0.300 . 1 . . . . 26 GLY CA . 11216 1 258 . 1 1 26 26 GLY N N 15 108.943 0.300 . 1 . . . . 26 GLY N . 11216 1 259 . 1 1 27 27 PRO HA H 1 4.418 0.030 . 1 . . . . 27 PRO HA . 11216 1 260 . 1 1 27 27 PRO HB2 H 1 2.332 0.030 . 2 . . . . 27 PRO HB2 . 11216 1 261 . 1 1 27 27 PRO HB3 H 1 1.980 0.030 . 2 . . . . 27 PRO HB3 . 11216 1 262 . 1 1 27 27 PRO HD2 H 1 3.667 0.030 . 2 . . . . 27 PRO HD2 . 11216 1 263 . 1 1 27 27 PRO HD3 H 1 3.616 0.030 . 2 . . . . 27 PRO HD3 . 11216 1 264 . 1 1 27 27 PRO HG2 H 1 2.067 0.030 . 1 . . . . 27 PRO HG2 . 11216 1 265 . 1 1 27 27 PRO HG3 H 1 2.067 0.030 . 1 . . . . 27 PRO HG3 . 11216 1 266 . 1 1 27 27 PRO C C 13 177.836 0.300 . 1 . . . . 27 PRO C . 11216 1 267 . 1 1 27 27 PRO CA C 13 63.982 0.300 . 1 . . . . 27 PRO CA . 11216 1 268 . 1 1 27 27 PRO CB C 13 31.818 0.300 . 1 . . . . 27 PRO CB . 11216 1 269 . 1 1 27 27 PRO CD C 13 49.960 0.300 . 1 . . . . 27 PRO CD . 11216 1 270 . 1 1 27 27 PRO CG C 13 27.388 0.300 . 1 . . . . 27 PRO CG . 11216 1 271 . 1 1 28 28 GLU H H 1 8.867 0.030 . 1 . . . . 28 GLU H . 11216 1 272 . 1 1 28 28 GLU HA H 1 4.124 0.030 . 1 . . . . 28 GLU HA . 11216 1 273 . 1 1 28 28 GLU HB2 H 1 2.175 0.030 . 2 . . . . 28 GLU HB2 . 11216 1 274 . 1 1 28 28 GLU HB3 H 1 2.018 0.030 . 2 . . . . 28 GLU HB3 . 11216 1 275 . 1 1 28 28 GLU HG2 H 1 2.234 0.030 . 1 . . . . 28 GLU HG2 . 11216 1 276 . 1 1 28 28 GLU HG3 H 1 2.234 0.030 . 1 . . . . 28 GLU HG3 . 11216 1 277 . 1 1 28 28 GLU C C 13 175.668 0.300 . 1 . . . . 28 GLU C . 11216 1 278 . 1 1 28 28 GLU CA C 13 57.110 0.300 . 1 . . . . 28 GLU CA . 11216 1 279 . 1 1 28 28 GLU CB C 13 28.577 0.300 . 1 . . . . 28 GLU CB . 11216 1 280 . 1 1 28 28 GLU CG C 13 36.691 0.300 . 1 . . . . 28 GLU CG . 11216 1 281 . 1 1 28 28 GLU N N 15 118.196 0.300 . 1 . . . . 28 GLU N . 11216 1 282 . 1 1 29 29 GLN H H 1 8.109 0.030 . 1 . . . . 29 GLN H . 11216 1 283 . 1 1 29 29 GLN HA H 1 4.076 0.030 . 1 . . . . 29 GLN HA . 11216 1 284 . 1 1 29 29 GLN HB2 H 1 2.257 0.030 . 2 . . . . 29 GLN HB2 . 11216 1 285 . 1 1 29 29 GLN HB3 H 1 2.172 0.030 . 2 . . . . 29 GLN HB3 . 11216 1 286 . 1 1 29 29 GLN HE21 H 1 6.795 0.030 . 2 . . . . 29 GLN HE21 . 11216 1 287 . 1 1 29 29 GLN HE22 H 1 7.532 0.030 . 2 . . . . 29 GLN HE22 . 11216 1 288 . 1 1 29 29 GLN HG2 H 1 2.309 0.030 . 1 . . . . 29 GLN HG2 . 11216 1 289 . 1 1 29 29 GLN HG3 H 1 2.309 0.030 . 1 . . . . 29 GLN HG3 . 11216 1 290 . 1 1 29 29 GLN C C 13 175.511 0.300 . 1 . . . . 29 GLN C . 11216 1 291 . 1 1 29 29 GLN CA C 13 56.806 0.300 . 1 . . . . 29 GLN CA . 11216 1 292 . 1 1 29 29 GLN CB C 13 27.840 0.300 . 1 . . . . 29 GLN CB . 11216 1 293 . 1 1 29 29 GLN CG C 13 34.515 0.300 . 1 . . . . 29 GLN CG . 11216 1 294 . 1 1 29 29 GLN N N 15 114.076 0.300 . 1 . . . . 29 GLN N . 11216 1 295 . 1 1 29 29 GLN NE2 N 15 111.960 0.300 . 1 . . . . 29 GLN NE2 . 11216 1 296 . 1 1 30 30 LYS H H 1 7.876 0.030 . 1 . . . . 30 LYS H . 11216 1 297 . 1 1 30 30 LYS HA H 1 4.408 0.030 . 1 . . . . 30 LYS HA . 11216 1 298 . 1 1 30 30 LYS HB2 H 1 1.831 0.030 . 2 . . . . 30 LYS HB2 . 11216 1 299 . 1 1 30 30 LYS HB3 H 1 1.777 0.030 . 2 . . . . 30 LYS HB3 . 11216 1 300 . 1 1 30 30 LYS HD2 H 1 1.653 0.030 . 2 . . . . 30 LYS HD2 . 11216 1 301 . 1 1 30 30 LYS HD3 H 1 1.616 0.030 . 2 . . . . 30 LYS HD3 . 11216 1 302 . 1 1 30 30 LYS HE2 H 1 2.955 0.030 . 1 . . . . 30 LYS HE2 . 11216 1 303 . 1 1 30 30 LYS HE3 H 1 2.955 0.030 . 1 . . . . 30 LYS HE3 . 11216 1 304 . 1 1 30 30 LYS HG2 H 1 1.434 0.030 . 2 . . . . 30 LYS HG2 . 11216 1 305 . 1 1 30 30 LYS HG3 H 1 1.352 0.030 . 2 . . . . 30 LYS HG3 . 11216 1 306 . 1 1 30 30 LYS C C 13 175.905 0.300 . 1 . . . . 30 LYS C . 11216 1 307 . 1 1 30 30 LYS CA C 13 56.293 0.300 . 1 . . . . 30 LYS CA . 11216 1 308 . 1 1 30 30 LYS CB C 13 32.727 0.300 . 1 . . . . 30 LYS CB . 11216 1 309 . 1 1 30 30 LYS CD C 13 28.999 0.300 . 1 . . . . 30 LYS CD . 11216 1 310 . 1 1 30 30 LYS CE C 13 42.187 0.300 . 1 . . . . 30 LYS CE . 11216 1 311 . 1 1 30 30 LYS CG C 13 24.878 0.300 . 1 . . . . 30 LYS CG . 11216 1 312 . 1 1 30 30 LYS N N 15 118.451 0.300 . 1 . . . . 30 LYS N . 11216 1 313 . 1 1 31 31 GLY H H 1 7.868 0.030 . 1 . . . . 31 GLY H . 11216 1 314 . 1 1 31 31 GLY HA2 H 1 4.139 0.030 . 2 . . . . 31 GLY HA2 . 11216 1 315 . 1 1 31 31 GLY HA3 H 1 3.909 0.030 . 2 . . . . 31 GLY HA3 . 11216 1 316 . 1 1 31 31 GLY C C 13 172.613 0.300 . 1 . . . . 31 GLY C . 11216 1 317 . 1 1 31 31 GLY CA C 13 44.646 0.300 . 1 . . . . 31 GLY CA . 11216 1 318 . 1 1 31 31 GLY N N 15 106.072 0.300 . 1 . . . . 31 GLY N . 11216 1 319 . 1 1 32 32 GLN H H 1 8.565 0.030 . 1 . . . . 32 GLN H . 11216 1 320 . 1 1 32 32 GLN HA H 1 4.773 0.030 . 1 . . . . 32 GLN HA . 11216 1 321 . 1 1 32 32 GLN HB2 H 1 2.224 0.030 . 2 . . . . 32 GLN HB2 . 11216 1 322 . 1 1 32 32 GLN HB3 H 1 1.655 0.030 . 2 . . . . 32 GLN HB3 . 11216 1 323 . 1 1 32 32 GLN HE21 H 1 7.437 0.030 . 2 . . . . 32 GLN HE21 . 11216 1 324 . 1 1 32 32 GLN HE22 H 1 6.202 0.030 . 2 . . . . 32 GLN HE22 . 11216 1 325 . 1 1 32 32 GLN HG2 H 1 2.329 0.030 . 2 . . . . 32 GLN HG2 . 11216 1 326 . 1 1 32 32 GLN HG3 H 1 1.962 0.030 . 2 . . . . 32 GLN HG3 . 11216 1 327 . 1 1 32 32 GLN C C 13 174.001 0.300 . 1 . . . . 32 GLN C . 11216 1 328 . 1 1 32 32 GLN CA C 13 53.565 0.300 . 1 . . . . 32 GLN CA . 11216 1 329 . 1 1 32 32 GLN CB C 13 31.557 0.300 . 1 . . . . 32 GLN CB . 11216 1 330 . 1 1 32 32 GLN CG C 13 33.186 0.300 . 1 . . . . 32 GLN CG . 11216 1 331 . 1 1 32 32 GLN N N 15 118.091 0.300 . 1 . . . . 32 GLN N . 11216 1 332 . 1 1 32 32 GLN NE2 N 15 110.183 0.300 . 1 . . . . 32 GLN NE2 . 11216 1 333 . 1 1 33 33 ILE H H 1 9.274 0.030 . 1 . . . . 33 ILE H . 11216 1 334 . 1 1 33 33 ILE HA H 1 4.965 0.030 . 1 . . . . 33 ILE HA . 11216 1 335 . 1 1 33 33 ILE HB H 1 1.613 0.030 . 1 . . . . 33 ILE HB . 11216 1 336 . 1 1 33 33 ILE HD11 H 1 0.830 0.030 . 1 . . . . 33 ILE HD1 . 11216 1 337 . 1 1 33 33 ILE HD12 H 1 0.830 0.030 . 1 . . . . 33 ILE HD1 . 11216 1 338 . 1 1 33 33 ILE HD13 H 1 0.830 0.030 . 1 . . . . 33 ILE HD1 . 11216 1 339 . 1 1 33 33 ILE HG12 H 1 1.410 0.030 . 2 . . . . 33 ILE HG12 . 11216 1 340 . 1 1 33 33 ILE HG13 H 1 1.013 0.030 . 2 . . . . 33 ILE HG13 . 11216 1 341 . 1 1 33 33 ILE HG21 H 1 0.862 0.030 . 1 . . . . 33 ILE HG2 . 11216 1 342 . 1 1 33 33 ILE HG22 H 1 0.862 0.030 . 1 . . . . 33 ILE HG2 . 11216 1 343 . 1 1 33 33 ILE HG23 H 1 0.862 0.030 . 1 . . . . 33 ILE HG2 . 11216 1 344 . 1 1 33 33 ILE C C 13 175.912 0.300 . 1 . . . . 33 ILE C . 11216 1 345 . 1 1 33 33 ILE CA C 13 59.085 0.300 . 1 . . . . 33 ILE CA . 11216 1 346 . 1 1 33 33 ILE CB C 13 40.676 0.300 . 1 . . . . 33 ILE CB . 11216 1 347 . 1 1 33 33 ILE CD1 C 13 13.685 0.300 . 1 . . . . 33 ILE CD1 . 11216 1 348 . 1 1 33 33 ILE CG1 C 13 27.530 0.300 . 1 . . . . 33 ILE CG1 . 11216 1 349 . 1 1 33 33 ILE CG2 C 13 18.156 0.300 . 1 . . . . 33 ILE CG2 . 11216 1 350 . 1 1 33 33 ILE N N 15 121.511 0.300 . 1 . . . . 33 ILE N . 11216 1 351 . 1 1 34 34 ILE H H 1 8.713 0.030 . 1 . . . . 34 ILE H . 11216 1 352 . 1 1 34 34 ILE HA H 1 4.402 0.030 . 1 . . . . 34 ILE HA . 11216 1 353 . 1 1 34 34 ILE HB H 1 2.156 0.030 . 1 . . . . 34 ILE HB . 11216 1 354 . 1 1 34 34 ILE HD11 H 1 0.403 0.030 . 1 . . . . 34 ILE HD1 . 11216 1 355 . 1 1 34 34 ILE HD12 H 1 0.403 0.030 . 1 . . . . 34 ILE HD1 . 11216 1 356 . 1 1 34 34 ILE HD13 H 1 0.403 0.030 . 1 . . . . 34 ILE HD1 . 11216 1 357 . 1 1 34 34 ILE HG12 H 1 1.355 0.030 . 2 . . . . 34 ILE HG12 . 11216 1 358 . 1 1 34 34 ILE HG13 H 1 1.204 0.030 . 2 . . . . 34 ILE HG13 . 11216 1 359 . 1 1 34 34 ILE HG21 H 1 0.823 0.030 . 1 . . . . 34 ILE HG2 . 11216 1 360 . 1 1 34 34 ILE HG22 H 1 0.823 0.030 . 1 . . . . 34 ILE HG2 . 11216 1 361 . 1 1 34 34 ILE HG23 H 1 0.823 0.030 . 1 . . . . 34 ILE HG2 . 11216 1 362 . 1 1 34 34 ILE C C 13 175.968 0.300 . 1 . . . . 34 ILE C . 11216 1 363 . 1 1 34 34 ILE CA C 13 60.647 0.300 . 1 . . . . 34 ILE CA . 11216 1 364 . 1 1 34 34 ILE CB C 13 36.170 0.300 . 1 . . . . 34 ILE CB . 11216 1 365 . 1 1 34 34 ILE CD1 C 13 12.451 0.300 . 1 . . . . 34 ILE CD1 . 11216 1 366 . 1 1 34 34 ILE CG1 C 13 27.538 0.300 . 1 . . . . 34 ILE CG1 . 11216 1 367 . 1 1 34 34 ILE CG2 C 13 18.929 0.300 . 1 . . . . 34 ILE CG2 . 11216 1 368 . 1 1 34 34 ILE N N 15 124.313 0.300 . 1 . . . . 34 ILE N . 11216 1 369 . 1 1 35 35 LYS H H 1 9.070 0.030 . 1 . . . . 35 LYS H . 11216 1 370 . 1 1 35 35 LYS HA H 1 4.661 0.030 . 1 . . . . 35 LYS HA . 11216 1 371 . 1 1 35 35 LYS HB2 H 1 1.609 0.030 . 1 . . . . 35 LYS HB2 . 11216 1 372 . 1 1 35 35 LYS HB3 H 1 1.609 0.030 . 1 . . . . 35 LYS HB3 . 11216 1 373 . 1 1 35 35 LYS HD2 H 1 1.614 0.030 . 1 . . . . 35 LYS HD2 . 11216 1 374 . 1 1 35 35 LYS HD3 H 1 1.614 0.030 . 1 . . . . 35 LYS HD3 . 11216 1 375 . 1 1 35 35 LYS HE2 H 1 2.891 0.030 . 1 . . . . 35 LYS HE2 . 11216 1 376 . 1 1 35 35 LYS HE3 H 1 2.891 0.030 . 1 . . . . 35 LYS HE3 . 11216 1 377 . 1 1 35 35 LYS HG2 H 1 1.288 0.030 . 2 . . . . 35 LYS HG2 . 11216 1 378 . 1 1 35 35 LYS HG3 H 1 1.235 0.030 . 2 . . . . 35 LYS HG3 . 11216 1 379 . 1 1 35 35 LYS C C 13 174.277 0.300 . 1 . . . . 35 LYS C . 11216 1 380 . 1 1 35 35 LYS CA C 13 54.527 0.300 . 1 . . . . 35 LYS CA . 11216 1 381 . 1 1 35 35 LYS CB C 13 36.349 0.300 . 1 . . . . 35 LYS CB . 11216 1 382 . 1 1 35 35 LYS CD C 13 29.408 0.300 . 1 . . . . 35 LYS CD . 11216 1 383 . 1 1 35 35 LYS CE C 13 42.063 0.300 . 1 . . . . 35 LYS CE . 11216 1 384 . 1 1 35 35 LYS CG C 13 24.120 0.300 . 1 . . . . 35 LYS CG . 11216 1 385 . 1 1 35 35 LYS N N 15 128.755 0.300 . 1 . . . . 35 LYS N . 11216 1 386 . 1 1 36 36 ASP H H 1 8.013 0.030 . 1 . . . . 36 ASP H . 11216 1 387 . 1 1 36 36 ASP HA H 1 4.463 0.030 . 1 . . . . 36 ASP HA . 11216 1 388 . 1 1 36 36 ASP HB2 H 1 2.738 0.030 . 2 . . . . 36 ASP HB2 . 11216 1 389 . 1 1 36 36 ASP HB3 H 1 2.645 0.030 . 2 . . . . 36 ASP HB3 . 11216 1 390 . 1 1 36 36 ASP C C 13 174.648 0.300 . 1 . . . . 36 ASP C . 11216 1 391 . 1 1 36 36 ASP CA C 13 54.726 0.300 . 1 . . . . 36 ASP CA . 11216 1 392 . 1 1 36 36 ASP CB C 13 41.600 0.300 . 1 . . . . 36 ASP CB . 11216 1 393 . 1 1 36 36 ASP N N 15 115.899 0.300 . 1 . . . . 36 ASP N . 11216 1 394 . 1 1 37 37 ILE H H 1 8.501 0.030 . 1 . . . . 37 ILE H . 11216 1 395 . 1 1 37 37 ILE HA H 1 4.591 0.030 . 1 . . . . 37 ILE HA . 11216 1 396 . 1 1 37 37 ILE HB H 1 1.688 0.030 . 1 . . . . 37 ILE HB . 11216 1 397 . 1 1 37 37 ILE HD11 H 1 0.526 0.030 . 1 . . . . 37 ILE HD1 . 11216 1 398 . 1 1 37 37 ILE HD12 H 1 0.526 0.030 . 1 . . . . 37 ILE HD1 . 11216 1 399 . 1 1 37 37 ILE HD13 H 1 0.526 0.030 . 1 . . . . 37 ILE HD1 . 11216 1 400 . 1 1 37 37 ILE HG12 H 1 1.496 0.030 . 2 . . . . 37 ILE HG12 . 11216 1 401 . 1 1 37 37 ILE HG13 H 1 0.935 0.030 . 2 . . . . 37 ILE HG13 . 11216 1 402 . 1 1 37 37 ILE HG21 H 1 0.731 0.030 . 1 . . . . 37 ILE HG2 . 11216 1 403 . 1 1 37 37 ILE HG22 H 1 0.731 0.030 . 1 . . . . 37 ILE HG2 . 11216 1 404 . 1 1 37 37 ILE HG23 H 1 0.731 0.030 . 1 . . . . 37 ILE HG2 . 11216 1 405 . 1 1 37 37 ILE C C 13 177.851 0.300 . 1 . . . . 37 ILE C . 11216 1 406 . 1 1 37 37 ILE CA C 13 60.867 0.300 . 1 . . . . 37 ILE CA . 11216 1 407 . 1 1 37 37 ILE CB C 13 38.459 0.300 . 1 . . . . 37 ILE CB . 11216 1 408 . 1 1 37 37 ILE CD1 C 13 13.540 0.300 . 1 . . . . 37 ILE CD1 . 11216 1 409 . 1 1 37 37 ILE CG1 C 13 28.232 0.300 . 1 . . . . 37 ILE CG1 . 11216 1 410 . 1 1 37 37 ILE CG2 C 13 17.460 0.300 . 1 . . . . 37 ILE CG2 . 11216 1 411 . 1 1 37 37 ILE N N 15 119.414 0.300 . 1 . . . . 37 ILE N . 11216 1 412 . 1 1 38 38 GLU H H 1 8.944 0.030 . 1 . . . . 38 GLU H . 11216 1 413 . 1 1 38 38 GLU HA H 1 4.672 0.030 . 1 . . . . 38 GLU HA . 11216 1 414 . 1 1 38 38 GLU HB2 H 1 2.043 0.030 . 1 . . . . 38 GLU HB2 . 11216 1 415 . 1 1 38 38 GLU HB3 H 1 2.043 0.030 . 1 . . . . 38 GLU HB3 . 11216 1 416 . 1 1 38 38 GLU HG2 H 1 2.497 0.030 . 2 . . . . 38 GLU HG2 . 11216 1 417 . 1 1 38 38 GLU HG3 H 1 2.432 0.030 . 2 . . . . 38 GLU HG3 . 11216 1 418 . 1 1 38 38 GLU C C 13 175.006 0.300 . 1 . . . . 38 GLU C . 11216 1 419 . 1 1 38 38 GLU CA C 13 53.693 0.300 . 1 . . . . 38 GLU CA . 11216 1 420 . 1 1 38 38 GLU CB C 13 30.237 0.300 . 1 . . . . 38 GLU CB . 11216 1 421 . 1 1 38 38 GLU CG C 13 36.110 0.300 . 1 . . . . 38 GLU CG . 11216 1 422 . 1 1 38 38 GLU N N 15 129.923 0.300 . 1 . . . . 38 GLU N . 11216 1 423 . 1 1 39 39 PRO HA H 1 4.545 0.030 . 1 . . . . 39 PRO HA . 11216 1 424 . 1 1 39 39 PRO HB2 H 1 2.402 0.030 . 2 . . . . 39 PRO HB2 . 11216 1 425 . 1 1 39 39 PRO HB3 H 1 1.952 0.030 . 2 . . . . 39 PRO HB3 . 11216 1 426 . 1 1 39 39 PRO HD2 H 1 3.769 0.030 . 2 . . . . 39 PRO HD2 . 11216 1 427 . 1 1 39 39 PRO HD3 H 1 4.151 0.030 . 2 . . . . 39 PRO HD3 . 11216 1 428 . 1 1 39 39 PRO HG2 H 1 2.191 0.030 . 2 . . . . 39 PRO HG2 . 11216 1 429 . 1 1 39 39 PRO HG3 H 1 2.069 0.030 . 2 . . . . 39 PRO HG3 . 11216 1 430 . 1 1 39 39 PRO C C 13 178.423 0.300 . 1 . . . . 39 PRO C . 11216 1 431 . 1 1 39 39 PRO CA C 13 63.556 0.300 . 1 . . . . 39 PRO CA . 11216 1 432 . 1 1 39 39 PRO CB C 13 31.775 0.300 . 1 . . . . 39 PRO CB . 11216 1 433 . 1 1 39 39 PRO CD C 13 51.363 0.300 . 1 . . . . 39 PRO CD . 11216 1 434 . 1 1 39 39 PRO CG C 13 27.793 0.300 . 1 . . . . 39 PRO CG . 11216 1 435 . 1 1 40 40 GLY H H 1 9.503 0.030 . 1 . . . . 40 GLY H . 11216 1 436 . 1 1 40 40 GLY HA2 H 1 4.124 0.030 . 2 . . . . 40 GLY HA2 . 11216 1 437 . 1 1 40 40 GLY HA3 H 1 3.790 0.030 . 2 . . . . 40 GLY HA3 . 11216 1 438 . 1 1 40 40 GLY C C 13 174.120 0.300 . 1 . . . . 40 GLY C . 11216 1 439 . 1 1 40 40 GLY CA C 13 45.737 0.300 . 1 . . . . 40 GLY CA . 11216 1 440 . 1 1 40 40 GLY N N 15 113.513 0.300 . 1 . . . . 40 GLY N . 11216 1 441 . 1 1 41 41 SER H H 1 7.632 0.030 . 1 . . . . 41 SER H . 11216 1 442 . 1 1 41 41 SER HA H 1 4.768 0.030 . 1 . . . . 41 SER HA . 11216 1 443 . 1 1 41 41 SER HB2 H 1 4.453 0.030 . 2 . . . . 41 SER HB2 . 11216 1 444 . 1 1 41 41 SER HB3 H 1 4.007 0.030 . 2 . . . . 41 SER HB3 . 11216 1 445 . 1 1 41 41 SER C C 13 174.149 0.300 . 1 . . . . 41 SER C . 11216 1 446 . 1 1 41 41 SER CA C 13 57.380 0.300 . 1 . . . . 41 SER CA . 11216 1 447 . 1 1 41 41 SER CB C 13 64.666 0.300 . 1 . . . . 41 SER CB . 11216 1 448 . 1 1 41 41 SER N N 15 114.312 0.300 . 1 . . . . 41 SER N . 11216 1 449 . 1 1 42 42 PRO HA H 1 4.466 0.030 . 1 . . . . 42 PRO HA . 11216 1 450 . 1 1 42 42 PRO HB2 H 1 2.755 0.030 . 2 . . . . 42 PRO HB2 . 11216 1 451 . 1 1 42 42 PRO HB3 H 1 2.183 0.030 . 2 . . . . 42 PRO HB3 . 11216 1 452 . 1 1 42 42 PRO HD2 H 1 3.726 0.030 . 2 . . . . 42 PRO HD2 . 11216 1 453 . 1 1 42 42 PRO HD3 H 1 4.000 0.030 . 2 . . . . 42 PRO HD3 . 11216 1 454 . 1 1 42 42 PRO HG2 H 1 2.131 0.030 . 2 . . . . 42 PRO HG2 . 11216 1 455 . 1 1 42 42 PRO HG3 H 1 2.334 0.030 . 2 . . . . 42 PRO HG3 . 11216 1 456 . 1 1 42 42 PRO C C 13 179.752 0.300 . 1 . . . . 42 PRO C . 11216 1 457 . 1 1 42 42 PRO CA C 13 65.321 0.300 . 1 . . . . 42 PRO CA . 11216 1 458 . 1 1 42 42 PRO CB C 13 32.848 0.300 . 1 . . . . 42 PRO CB . 11216 1 459 . 1 1 42 42 PRO CD C 13 50.968 0.300 . 1 . . . . 42 PRO CD . 11216 1 460 . 1 1 42 42 PRO CG C 13 28.518 0.300 . 1 . . . . 42 PRO CG . 11216 1 461 . 1 1 43 43 ALA H H 1 7.987 0.030 . 1 . . . . 43 ALA H . 11216 1 462 . 1 1 43 43 ALA HA H 1 3.953 0.030 . 1 . . . . 43 ALA HA . 11216 1 463 . 1 1 43 43 ALA HB1 H 1 1.524 0.030 . 1 . . . . 43 ALA HB . 11216 1 464 . 1 1 43 43 ALA HB2 H 1 1.524 0.030 . 1 . . . . 43 ALA HB . 11216 1 465 . 1 1 43 43 ALA HB3 H 1 1.524 0.030 . 1 . . . . 43 ALA HB . 11216 1 466 . 1 1 43 43 ALA C C 13 177.697 0.300 . 1 . . . . 43 ALA C . 11216 1 467 . 1 1 43 43 ALA CA C 13 55.531 0.300 . 1 . . . . 43 ALA CA . 11216 1 468 . 1 1 43 43 ALA CB C 13 19.810 0.300 . 1 . . . . 43 ALA CB . 11216 1 469 . 1 1 43 43 ALA N N 15 117.806 0.300 . 1 . . . . 43 ALA N . 11216 1 470 . 1 1 44 44 GLU H H 1 7.583 0.030 . 1 . . . . 44 GLU H . 11216 1 471 . 1 1 44 44 GLU HA H 1 3.987 0.030 . 1 . . . . 44 GLU HA . 11216 1 472 . 1 1 44 44 GLU HB2 H 1 2.325 0.030 . 2 . . . . 44 GLU HB2 . 11216 1 473 . 1 1 44 44 GLU HB3 H 1 2.019 0.030 . 2 . . . . 44 GLU HB3 . 11216 1 474 . 1 1 44 44 GLU HG2 H 1 2.257 0.030 . 2 . . . . 44 GLU HG2 . 11216 1 475 . 1 1 44 44 GLU HG3 H 1 2.170 0.030 . 2 . . . . 44 GLU HG3 . 11216 1 476 . 1 1 44 44 GLU C C 13 180.819 0.300 . 1 . . . . 44 GLU C . 11216 1 477 . 1 1 44 44 GLU CA C 13 59.237 0.300 . 1 . . . . 44 GLU CA . 11216 1 478 . 1 1 44 44 GLU CB C 13 30.179 0.300 . 1 . . . . 44 GLU CB . 11216 1 479 . 1 1 44 44 GLU CG C 13 37.263 0.300 . 1 . . . . 44 GLU CG . 11216 1 480 . 1 1 44 44 GLU N N 15 118.634 0.300 . 1 . . . . 44 GLU N . 11216 1 481 . 1 1 45 45 ALA H H 1 8.214 0.030 . 1 . . . . 45 ALA H . 11216 1 482 . 1 1 45 45 ALA HA H 1 4.170 0.030 . 1 . . . . 45 ALA HA . 11216 1 483 . 1 1 45 45 ALA HB1 H 1 1.554 0.030 . 1 . . . . 45 ALA HB . 11216 1 484 . 1 1 45 45 ALA HB2 H 1 1.554 0.030 . 1 . . . . 45 ALA HB . 11216 1 485 . 1 1 45 45 ALA HB3 H 1 1.554 0.030 . 1 . . . . 45 ALA HB . 11216 1 486 . 1 1 45 45 ALA C C 13 178.776 0.300 . 1 . . . . 45 ALA C . 11216 1 487 . 1 1 45 45 ALA CA C 13 54.701 0.300 . 1 . . . . 45 ALA CA . 11216 1 488 . 1 1 45 45 ALA CB C 13 17.962 0.300 . 1 . . . . 45 ALA CB . 11216 1 489 . 1 1 45 45 ALA N N 15 123.204 0.300 . 1 . . . . 45 ALA N . 11216 1 490 . 1 1 46 46 ALA H H 1 7.750 0.030 . 1 . . . . 46 ALA H . 11216 1 491 . 1 1 46 46 ALA HA H 1 4.409 0.030 . 1 . . . . 46 ALA HA . 11216 1 492 . 1 1 46 46 ALA HB1 H 1 1.487 0.030 . 1 . . . . 46 ALA HB . 11216 1 493 . 1 1 46 46 ALA HB2 H 1 1.487 0.030 . 1 . . . . 46 ALA HB . 11216 1 494 . 1 1 46 46 ALA HB3 H 1 1.487 0.030 . 1 . . . . 46 ALA HB . 11216 1 495 . 1 1 46 46 ALA C C 13 177.558 0.300 . 1 . . . . 46 ALA C . 11216 1 496 . 1 1 46 46 ALA CA C 13 52.294 0.300 . 1 . . . . 46 ALA CA . 11216 1 497 . 1 1 46 46 ALA CB C 13 19.804 0.300 . 1 . . . . 46 ALA CB . 11216 1 498 . 1 1 46 46 ALA N N 15 117.719 0.300 . 1 . . . . 46 ALA N . 11216 1 499 . 1 1 47 47 GLY H H 1 7.736 0.030 . 1 . . . . 47 GLY H . 11216 1 500 . 1 1 47 47 GLY HA2 H 1 4.211 0.030 . 2 . . . . 47 GLY HA2 . 11216 1 501 . 1 1 47 47 GLY HA3 H 1 3.788 0.030 . 2 . . . . 47 GLY HA3 . 11216 1 502 . 1 1 47 47 GLY C C 13 175.309 0.300 . 1 . . . . 47 GLY C . 11216 1 503 . 1 1 47 47 GLY CA C 13 45.316 0.300 . 1 . . . . 47 GLY CA . 11216 1 504 . 1 1 47 47 GLY N N 15 104.071 0.300 . 1 . . . . 47 GLY N . 11216 1 505 . 1 1 48 48 LEU H H 1 7.376 0.030 . 1 . . . . 48 LEU H . 11216 1 506 . 1 1 48 48 LEU HA H 1 4.137 0.030 . 1 . . . . 48 LEU HA . 11216 1 507 . 1 1 48 48 LEU HB2 H 1 1.319 0.030 . 2 . . . . 48 LEU HB2 . 11216 1 508 . 1 1 48 48 LEU HB3 H 1 1.220 0.030 . 2 . . . . 48 LEU HB3 . 11216 1 509 . 1 1 48 48 LEU HD11 H 1 0.513 0.030 . 1 . . . . 48 LEU HD1 . 11216 1 510 . 1 1 48 48 LEU HD12 H 1 0.513 0.030 . 1 . . . . 48 LEU HD1 . 11216 1 511 . 1 1 48 48 LEU HD13 H 1 0.513 0.030 . 1 . . . . 48 LEU HD1 . 11216 1 512 . 1 1 48 48 LEU HD21 H 1 0.453 0.030 . 1 . . . . 48 LEU HD2 . 11216 1 513 . 1 1 48 48 LEU HD22 H 1 0.453 0.030 . 1 . . . . 48 LEU HD2 . 11216 1 514 . 1 1 48 48 LEU HD23 H 1 0.453 0.030 . 1 . . . . 48 LEU HD2 . 11216 1 515 . 1 1 48 48 LEU HG H 1 1.498 0.030 . 1 . . . . 48 LEU HG . 11216 1 516 . 1 1 48 48 LEU C C 13 174.512 0.300 . 1 . . . . 48 LEU C . 11216 1 517 . 1 1 48 48 LEU CA C 13 54.970 0.300 . 1 . . . . 48 LEU CA . 11216 1 518 . 1 1 48 48 LEU CB C 13 43.180 0.300 . 1 . . . . 48 LEU CB . 11216 1 519 . 1 1 48 48 LEU CD1 C 13 24.965 0.300 . 2 . . . . 48 LEU CD1 . 11216 1 520 . 1 1 48 48 LEU CD2 C 13 24.322 0.300 . 2 . . . . 48 LEU CD2 . 11216 1 521 . 1 1 48 48 LEU CG C 13 26.688 0.300 . 1 . . . . 48 LEU CG . 11216 1 522 . 1 1 48 48 LEU N N 15 120.634 0.300 . 1 . . . . 48 LEU N . 11216 1 523 . 1 1 49 49 LYS H H 1 8.479 0.030 . 1 . . . . 49 LYS H . 11216 1 524 . 1 1 49 49 LYS HA H 1 4.546 0.030 . 1 . . . . 49 LYS HA . 11216 1 525 . 1 1 49 49 LYS HB2 H 1 1.745 0.030 . 2 . . . . 49 LYS HB2 . 11216 1 526 . 1 1 49 49 LYS HB3 H 1 1.638 0.030 . 2 . . . . 49 LYS HB3 . 11216 1 527 . 1 1 49 49 LYS HD2 H 1 1.636 0.030 . 1 . . . . 49 LYS HD2 . 11216 1 528 . 1 1 49 49 LYS HD3 H 1 1.636 0.030 . 1 . . . . 49 LYS HD3 . 11216 1 529 . 1 1 49 49 LYS HE2 H 1 3.009 0.030 . 1 . . . . 49 LYS HE2 . 11216 1 530 . 1 1 49 49 LYS HE3 H 1 3.009 0.030 . 1 . . . . 49 LYS HE3 . 11216 1 531 . 1 1 49 49 LYS HG2 H 1 1.363 0.030 . 2 . . . . 49 LYS HG2 . 11216 1 532 . 1 1 49 49 LYS HG3 H 1 1.332 0.030 . 2 . . . . 49 LYS HG3 . 11216 1 533 . 1 1 49 49 LYS C C 13 175.543 0.300 . 1 . . . . 49 LYS C . 11216 1 534 . 1 1 49 49 LYS CA C 13 54.097 0.300 . 1 . . . . 49 LYS CA . 11216 1 535 . 1 1 49 49 LYS CB C 13 35.469 0.300 . 1 . . . . 49 LYS CB . 11216 1 536 . 1 1 49 49 LYS CD C 13 28.944 0.300 . 1 . . . . 49 LYS CD . 11216 1 537 . 1 1 49 49 LYS CE C 13 42.041 0.300 . 1 . . . . 49 LYS CE . 11216 1 538 . 1 1 49 49 LYS CG C 13 23.996 0.300 . 1 . . . . 49 LYS CG . 11216 1 539 . 1 1 49 49 LYS N N 15 121.091 0.300 . 1 . . . . 49 LYS N . 11216 1 540 . 1 1 50 50 ASN H H 1 8.414 0.030 . 1 . . . . 50 ASN H . 11216 1 541 . 1 1 50 50 ASN HA H 1 4.188 0.030 . 1 . . . . 50 ASN HA . 11216 1 542 . 1 1 50 50 ASN HB2 H 1 2.596 0.030 . 1 . . . . 50 ASN HB2 . 11216 1 543 . 1 1 50 50 ASN HB3 H 1 2.596 0.030 . 1 . . . . 50 ASN HB3 . 11216 1 544 . 1 1 50 50 ASN HD21 H 1 7.060 0.030 . 2 . . . . 50 ASN HD21 . 11216 1 545 . 1 1 50 50 ASN HD22 H 1 7.194 0.030 . 2 . . . . 50 ASN HD22 . 11216 1 546 . 1 1 50 50 ASN C C 13 177.382 0.300 . 1 . . . . 50 ASN C . 11216 1 547 . 1 1 50 50 ASN CA C 13 54.692 0.300 . 1 . . . . 50 ASN CA . 11216 1 548 . 1 1 50 50 ASN CB C 13 37.875 0.300 . 1 . . . . 50 ASN CB . 11216 1 549 . 1 1 50 50 ASN N N 15 119.212 0.300 . 1 . . . . 50 ASN N . 11216 1 550 . 1 1 50 50 ASN ND2 N 15 109.887 0.300 . 1 . . . . 50 ASN ND2 . 11216 1 551 . 1 1 51 51 ASN H H 1 9.396 0.030 . 1 . . . . 51 ASN H . 11216 1 552 . 1 1 51 51 ASN HA H 1 4.230 0.030 . 1 . . . . 51 ASN HA . 11216 1 553 . 1 1 51 51 ASN HB2 H 1 3.370 0.030 . 2 . . . . 51 ASN HB2 . 11216 1 554 . 1 1 51 51 ASN HB3 H 1 2.978 0.030 . 2 . . . . 51 ASN HB3 . 11216 1 555 . 1 1 51 51 ASN HD21 H 1 6.985 0.030 . 2 . . . . 51 ASN HD21 . 11216 1 556 . 1 1 51 51 ASN HD22 H 1 7.559 0.030 . 2 . . . . 51 ASN HD22 . 11216 1 557 . 1 1 51 51 ASN C C 13 174.375 0.300 . 1 . . . . 51 ASN C . 11216 1 558 . 1 1 51 51 ASN CA C 13 55.827 0.300 . 1 . . . . 51 ASN CA . 11216 1 559 . 1 1 51 51 ASN CB C 13 37.065 0.300 . 1 . . . . 51 ASN CB . 11216 1 560 . 1 1 51 51 ASN N N 15 115.106 0.300 . 1 . . . . 51 ASN N . 11216 1 561 . 1 1 51 51 ASN ND2 N 15 114.034 0.300 . 1 . . . . 51 ASN ND2 . 11216 1 562 . 1 1 52 52 ASP H H 1 7.763 0.030 . 1 . . . . 52 ASP H . 11216 1 563 . 1 1 52 52 ASP HA H 1 4.594 0.030 . 1 . . . . 52 ASP HA . 11216 1 564 . 1 1 52 52 ASP HB2 H 1 2.765 0.030 . 2 . . . . 52 ASP HB2 . 11216 1 565 . 1 1 52 52 ASP HB3 H 1 2.267 0.030 . 2 . . . . 52 ASP HB3 . 11216 1 566 . 1 1 52 52 ASP C C 13 174.572 0.300 . 1 . . . . 52 ASP C . 11216 1 567 . 1 1 52 52 ASP CA C 13 56.078 0.300 . 1 . . . . 52 ASP CA . 11216 1 568 . 1 1 52 52 ASP CB C 13 41.599 0.300 . 1 . . . . 52 ASP CB . 11216 1 569 . 1 1 52 52 ASP N N 15 121.692 0.300 . 1 . . . . 52 ASP N . 11216 1 570 . 1 1 53 53 LEU H H 1 8.504 0.030 . 1 . . . . 53 LEU H . 11216 1 571 . 1 1 53 53 LEU HA H 1 4.832 0.030 . 1 . . . . 53 LEU HA . 11216 1 572 . 1 1 53 53 LEU HB2 H 1 1.863 0.030 . 2 . . . . 53 LEU HB2 . 11216 1 573 . 1 1 53 53 LEU HB3 H 1 1.388 0.030 . 2 . . . . 53 LEU HB3 . 11216 1 574 . 1 1 53 53 LEU HD11 H 1 0.794 0.030 . 1 . . . . 53 LEU HD1 . 11216 1 575 . 1 1 53 53 LEU HD12 H 1 0.794 0.030 . 1 . . . . 53 LEU HD1 . 11216 1 576 . 1 1 53 53 LEU HD13 H 1 0.794 0.030 . 1 . . . . 53 LEU HD1 . 11216 1 577 . 1 1 53 53 LEU HD21 H 1 0.754 0.030 . 1 . . . . 53 LEU HD2 . 11216 1 578 . 1 1 53 53 LEU HD22 H 1 0.754 0.030 . 1 . . . . 53 LEU HD2 . 11216 1 579 . 1 1 53 53 LEU HD23 H 1 0.754 0.030 . 1 . . . . 53 LEU HD2 . 11216 1 580 . 1 1 53 53 LEU HG H 1 1.336 0.030 . 1 . . . . 53 LEU HG . 11216 1 581 . 1 1 53 53 LEU C C 13 175.647 0.300 . 1 . . . . 53 LEU C . 11216 1 582 . 1 1 53 53 LEU CA C 13 54.071 0.300 . 1 . . . . 53 LEU CA . 11216 1 583 . 1 1 53 53 LEU CB C 13 44.443 0.300 . 1 . . . . 53 LEU CB . 11216 1 584 . 1 1 53 53 LEU CD1 C 13 26.138 0.300 . 2 . . . . 53 LEU CD1 . 11216 1 585 . 1 1 53 53 LEU CD2 C 13 23.898 0.300 . 2 . . . . 53 LEU CD2 . 11216 1 586 . 1 1 53 53 LEU CG C 13 27.479 0.300 . 1 . . . . 53 LEU CG . 11216 1 587 . 1 1 53 53 LEU N N 15 122.281 0.300 . 1 . . . . 53 LEU N . 11216 1 588 . 1 1 54 54 VAL H H 1 9.206 0.030 . 1 . . . . 54 VAL H . 11216 1 589 . 1 1 54 54 VAL HA H 1 4.278 0.030 . 1 . . . . 54 VAL HA . 11216 1 590 . 1 1 54 54 VAL HB H 1 1.975 0.030 . 1 . . . . 54 VAL HB . 11216 1 591 . 1 1 54 54 VAL HG11 H 1 0.745 0.030 . 1 . . . . 54 VAL HG1 . 11216 1 592 . 1 1 54 54 VAL HG12 H 1 0.745 0.030 . 1 . . . . 54 VAL HG1 . 11216 1 593 . 1 1 54 54 VAL HG13 H 1 0.745 0.030 . 1 . . . . 54 VAL HG1 . 11216 1 594 . 1 1 54 54 VAL HG21 H 1 0.745 0.030 . 1 . . . . 54 VAL HG2 . 11216 1 595 . 1 1 54 54 VAL HG22 H 1 0.745 0.030 . 1 . . . . 54 VAL HG2 . 11216 1 596 . 1 1 54 54 VAL HG23 H 1 0.745 0.030 . 1 . . . . 54 VAL HG2 . 11216 1 597 . 1 1 54 54 VAL C C 13 175.762 0.300 . 1 . . . . 54 VAL C . 11216 1 598 . 1 1 54 54 VAL CA C 13 62.450 0.300 . 1 . . . . 54 VAL CA . 11216 1 599 . 1 1 54 54 VAL CB C 13 32.761 0.300 . 1 . . . . 54 VAL CB . 11216 1 600 . 1 1 54 54 VAL CG1 C 13 22.435 0.300 . 2 . . . . 54 VAL CG1 . 11216 1 601 . 1 1 54 54 VAL CG2 C 13 22.577 0.300 . 2 . . . . 54 VAL CG2 . 11216 1 602 . 1 1 54 54 VAL N N 15 126.355 0.300 . 1 . . . . 54 VAL N . 11216 1 603 . 1 1 55 55 VAL H H 1 8.716 0.030 . 1 . . . . 55 VAL H . 11216 1 604 . 1 1 55 55 VAL HA H 1 4.546 0.030 . 1 . . . . 55 VAL HA . 11216 1 605 . 1 1 55 55 VAL HB H 1 2.272 0.030 . 1 . . . . 55 VAL HB . 11216 1 606 . 1 1 55 55 VAL HG11 H 1 0.901 0.030 . 1 . . . . 55 VAL HG1 . 11216 1 607 . 1 1 55 55 VAL HG12 H 1 0.901 0.030 . 1 . . . . 55 VAL HG1 . 11216 1 608 . 1 1 55 55 VAL HG13 H 1 0.901 0.030 . 1 . . . . 55 VAL HG1 . 11216 1 609 . 1 1 55 55 VAL HG21 H 1 0.770 0.030 . 1 . . . . 55 VAL HG2 . 11216 1 610 . 1 1 55 55 VAL HG22 H 1 0.770 0.030 . 1 . . . . 55 VAL HG2 . 11216 1 611 . 1 1 55 55 VAL HG23 H 1 0.770 0.030 . 1 . . . . 55 VAL HG2 . 11216 1 612 . 1 1 55 55 VAL C C 13 177.138 0.300 . 1 . . . . 55 VAL C . 11216 1 613 . 1 1 55 55 VAL CA C 13 61.612 0.300 . 1 . . . . 55 VAL CA . 11216 1 614 . 1 1 55 55 VAL CB C 13 33.060 0.300 . 1 . . . . 55 VAL CB . 11216 1 615 . 1 1 55 55 VAL CG1 C 13 21.963 0.300 . 2 . . . . 55 VAL CG1 . 11216 1 616 . 1 1 55 55 VAL CG2 C 13 19.181 0.300 . 2 . . . . 55 VAL CG2 . 11216 1 617 . 1 1 55 55 VAL N N 15 118.594 0.300 . 1 . . . . 55 VAL N . 11216 1 618 . 1 1 56 56 ALA H H 1 7.797 0.030 . 1 . . . . 56 ALA H . 11216 1 619 . 1 1 56 56 ALA HA H 1 5.020 0.030 . 1 . . . . 56 ALA HA . 11216 1 620 . 1 1 56 56 ALA HB1 H 1 1.177 0.030 . 1 . . . . 56 ALA HB . 11216 1 621 . 1 1 56 56 ALA HB2 H 1 1.177 0.030 . 1 . . . . 56 ALA HB . 11216 1 622 . 1 1 56 56 ALA HB3 H 1 1.177 0.030 . 1 . . . . 56 ALA HB . 11216 1 623 . 1 1 56 56 ALA C C 13 174.739 0.300 . 1 . . . . 56 ALA C . 11216 1 624 . 1 1 56 56 ALA CA C 13 52.600 0.300 . 1 . . . . 56 ALA CA . 11216 1 625 . 1 1 56 56 ALA CB C 13 21.983 0.300 . 1 . . . . 56 ALA CB . 11216 1 626 . 1 1 56 56 ALA N N 15 123.939 0.300 . 1 . . . . 56 ALA N . 11216 1 627 . 1 1 57 57 VAL H H 1 8.520 0.030 . 1 . . . . 57 VAL H . 11216 1 628 . 1 1 57 57 VAL HA H 1 4.484 0.030 . 1 . . . . 57 VAL HA . 11216 1 629 . 1 1 57 57 VAL HB H 1 1.744 0.030 . 1 . . . . 57 VAL HB . 11216 1 630 . 1 1 57 57 VAL HG11 H 1 0.675 0.030 . 1 . . . . 57 VAL HG1 . 11216 1 631 . 1 1 57 57 VAL HG12 H 1 0.675 0.030 . 1 . . . . 57 VAL HG1 . 11216 1 632 . 1 1 57 57 VAL HG13 H 1 0.675 0.030 . 1 . . . . 57 VAL HG1 . 11216 1 633 . 1 1 57 57 VAL HG21 H 1 0.661 0.030 . 1 . . . . 57 VAL HG2 . 11216 1 634 . 1 1 57 57 VAL HG22 H 1 0.661 0.030 . 1 . . . . 57 VAL HG2 . 11216 1 635 . 1 1 57 57 VAL HG23 H 1 0.661 0.030 . 1 . . . . 57 VAL HG2 . 11216 1 636 . 1 1 57 57 VAL C C 13 175.298 0.300 . 1 . . . . 57 VAL C . 11216 1 637 . 1 1 57 57 VAL CA C 13 60.758 0.300 . 1 . . . . 57 VAL CA . 11216 1 638 . 1 1 57 57 VAL CB C 13 34.551 0.300 . 1 . . . . 57 VAL CB . 11216 1 639 . 1 1 57 57 VAL CG1 C 13 21.049 0.300 . 2 . . . . 57 VAL CG1 . 11216 1 640 . 1 1 57 57 VAL CG2 C 13 21.259 0.300 . 2 . . . . 57 VAL CG2 . 11216 1 641 . 1 1 57 57 VAL N N 15 119.814 0.300 . 1 . . . . 57 VAL N . 11216 1 642 . 1 1 58 58 ASN H H 1 10.001 0.030 . 1 . . . . 58 ASN H . 11216 1 643 . 1 1 58 58 ASN HA H 1 4.389 0.030 . 1 . . . . 58 ASN HA . 11216 1 644 . 1 1 58 58 ASN HB2 H 1 3.023 0.030 . 2 . . . . 58 ASN HB2 . 11216 1 645 . 1 1 58 58 ASN HB3 H 1 2.930 0.030 . 2 . . . . 58 ASN HB3 . 11216 1 646 . 1 1 58 58 ASN HD21 H 1 8.017 0.030 . 2 . . . . 58 ASN HD21 . 11216 1 647 . 1 1 58 58 ASN HD22 H 1 7.577 0.030 . 2 . . . . 58 ASN HD22 . 11216 1 648 . 1 1 58 58 ASN C C 13 175.582 0.300 . 1 . . . . 58 ASN C . 11216 1 649 . 1 1 58 58 ASN CA C 13 53.966 0.300 . 1 . . . . 58 ASN CA . 11216 1 650 . 1 1 58 58 ASN CB C 13 36.801 0.300 . 1 . . . . 58 ASN CB . 11216 1 651 . 1 1 58 58 ASN N N 15 126.214 0.300 . 1 . . . . 58 ASN N . 11216 1 652 . 1 1 58 58 ASN ND2 N 15 114.786 0.300 . 1 . . . . 58 ASN ND2 . 11216 1 653 . 1 1 59 59 GLY H H 1 9.147 0.030 . 1 . . . . 59 GLY H . 11216 1 654 . 1 1 59 59 GLY HA2 H 1 4.116 0.030 . 2 . . . . 59 GLY HA2 . 11216 1 655 . 1 1 59 59 GLY HA3 H 1 3.521 0.030 . 2 . . . . 59 GLY HA3 . 11216 1 656 . 1 1 59 59 GLY C C 13 173.981 0.300 . 1 . . . . 59 GLY C . 11216 1 657 . 1 1 59 59 GLY CA C 13 45.047 0.300 . 1 . . . . 59 GLY CA . 11216 1 658 . 1 1 59 59 GLY N N 15 103.484 0.300 . 1 . . . . 59 GLY N . 11216 1 659 . 1 1 60 60 LYS H H 1 7.927 0.030 . 1 . . . . 60 LYS H . 11216 1 660 . 1 1 60 60 LYS HA H 1 4.613 0.030 . 1 . . . . 60 LYS HA . 11216 1 661 . 1 1 60 60 LYS HB2 H 1 1.849 0.030 . 1 . . . . 60 LYS HB2 . 11216 1 662 . 1 1 60 60 LYS HB3 H 1 1.849 0.030 . 1 . . . . 60 LYS HB3 . 11216 1 663 . 1 1 60 60 LYS HD2 H 1 1.704 0.030 . 1 . . . . 60 LYS HD2 . 11216 1 664 . 1 1 60 60 LYS HD3 H 1 1.704 0.030 . 1 . . . . 60 LYS HD3 . 11216 1 665 . 1 1 60 60 LYS HE2 H 1 3.040 0.030 . 1 . . . . 60 LYS HE2 . 11216 1 666 . 1 1 60 60 LYS HE3 H 1 3.040 0.030 . 1 . . . . 60 LYS HE3 . 11216 1 667 . 1 1 60 60 LYS HG2 H 1 1.452 0.030 . 2 . . . . 60 LYS HG2 . 11216 1 668 . 1 1 60 60 LYS HG3 H 1 1.420 0.030 . 2 . . . . 60 LYS HG3 . 11216 1 669 . 1 1 60 60 LYS C C 13 175.149 0.300 . 1 . . . . 60 LYS C . 11216 1 670 . 1 1 60 60 LYS CA C 13 54.185 0.300 . 1 . . . . 60 LYS CA . 11216 1 671 . 1 1 60 60 LYS CB C 13 33.874 0.300 . 1 . . . . 60 LYS CB . 11216 1 672 . 1 1 60 60 LYS CD C 13 28.790 0.300 . 1 . . . . 60 LYS CD . 11216 1 673 . 1 1 60 60 LYS CE C 13 42.320 0.300 . 1 . . . . 60 LYS CE . 11216 1 674 . 1 1 60 60 LYS CG C 13 24.543 0.300 . 1 . . . . 60 LYS CG . 11216 1 675 . 1 1 60 60 LYS N N 15 121.880 0.300 . 1 . . . . 60 LYS N . 11216 1 676 . 1 1 61 61 SER H H 1 8.650 0.030 . 1 . . . . 61 SER H . 11216 1 677 . 1 1 61 61 SER HA H 1 4.531 0.030 . 1 . . . . 61 SER HA . 11216 1 678 . 1 1 61 61 SER HB2 H 1 4.142 0.030 . 2 . . . . 61 SER HB2 . 11216 1 679 . 1 1 61 61 SER HB3 H 1 3.846 0.030 . 2 . . . . 61 SER HB3 . 11216 1 680 . 1 1 61 61 SER C C 13 176.780 0.300 . 1 . . . . 61 SER C . 11216 1 681 . 1 1 61 61 SER CA C 13 58.806 0.300 . 1 . . . . 61 SER CA . 11216 1 682 . 1 1 61 61 SER CB C 13 63.509 0.300 . 1 . . . . 61 SER CB . 11216 1 683 . 1 1 61 61 SER N N 15 117.454 0.300 . 1 . . . . 61 SER N . 11216 1 684 . 1 1 62 62 VAL H H 1 7.825 0.030 . 1 . . . . 62 VAL H . 11216 1 685 . 1 1 62 62 VAL HA H 1 4.614 0.030 . 1 . . . . 62 VAL HA . 11216 1 686 . 1 1 62 62 VAL HB H 1 2.519 0.030 . 1 . . . . 62 VAL HB . 11216 1 687 . 1 1 62 62 VAL HG11 H 1 0.893 0.030 . 1 . . . . 62 VAL HG1 . 11216 1 688 . 1 1 62 62 VAL HG12 H 1 0.893 0.030 . 1 . . . . 62 VAL HG1 . 11216 1 689 . 1 1 62 62 VAL HG13 H 1 0.893 0.030 . 1 . . . . 62 VAL HG1 . 11216 1 690 . 1 1 62 62 VAL HG21 H 1 0.609 0.030 . 1 . . . . 62 VAL HG2 . 11216 1 691 . 1 1 62 62 VAL HG22 H 1 0.609 0.030 . 1 . . . . 62 VAL HG2 . 11216 1 692 . 1 1 62 62 VAL HG23 H 1 0.609 0.030 . 1 . . . . 62 VAL HG2 . 11216 1 693 . 1 1 62 62 VAL C C 13 176.133 0.300 . 1 . . . . 62 VAL C . 11216 1 694 . 1 1 62 62 VAL CA C 13 60.051 0.300 . 1 . . . . 62 VAL CA . 11216 1 695 . 1 1 62 62 VAL CB C 13 30.780 0.300 . 1 . . . . 62 VAL CB . 11216 1 696 . 1 1 62 62 VAL CG1 C 13 22.310 0.300 . 2 . . . . 62 VAL CG1 . 11216 1 697 . 1 1 62 62 VAL CG2 C 13 18.975 0.300 . 2 . . . . 62 VAL CG2 . 11216 1 698 . 1 1 62 62 VAL N N 15 117.005 0.300 . 1 . . . . 62 VAL N . 11216 1 699 . 1 1 63 63 GLU H H 1 8.243 0.030 . 1 . . . . 63 GLU H . 11216 1 700 . 1 1 63 63 GLU HA H 1 3.921 0.030 . 1 . . . . 63 GLU HA . 11216 1 701 . 1 1 63 63 GLU HB2 H 1 2.018 0.030 . 1 . . . . 63 GLU HB2 . 11216 1 702 . 1 1 63 63 GLU HB3 H 1 2.018 0.030 . 1 . . . . 63 GLU HB3 . 11216 1 703 . 1 1 63 63 GLU HG2 H 1 2.381 0.030 . 2 . . . . 63 GLU HG2 . 11216 1 704 . 1 1 63 63 GLU HG3 H 1 2.232 0.030 . 2 . . . . 63 GLU HG3 . 11216 1 705 . 1 1 63 63 GLU C C 13 176.276 0.300 . 1 . . . . 63 GLU C . 11216 1 706 . 1 1 63 63 GLU CA C 13 59.203 0.300 . 1 . . . . 63 GLU CA . 11216 1 707 . 1 1 63 63 GLU CB C 13 29.788 0.300 . 1 . . . . 63 GLU CB . 11216 1 708 . 1 1 63 63 GLU CG C 13 36.541 0.300 . 1 . . . . 63 GLU CG . 11216 1 709 . 1 1 63 63 GLU N N 15 124.178 0.300 . 1 . . . . 63 GLU N . 11216 1 710 . 1 1 64 64 ALA H H 1 8.518 0.030 . 1 . . . . 64 ALA H . 11216 1 711 . 1 1 64 64 ALA HA H 1 4.371 0.030 . 1 . . . . 64 ALA HA . 11216 1 712 . 1 1 64 64 ALA HB1 H 1 1.420 0.030 . 1 . . . . 64 ALA HB . 11216 1 713 . 1 1 64 64 ALA HB2 H 1 1.420 0.030 . 1 . . . . 64 ALA HB . 11216 1 714 . 1 1 64 64 ALA HB3 H 1 1.420 0.030 . 1 . . . . 64 ALA HB . 11216 1 715 . 1 1 64 64 ALA C C 13 176.745 0.300 . 1 . . . . 64 ALA C . 11216 1 716 . 1 1 64 64 ALA CA C 13 52.286 0.300 . 1 . . . . 64 ALA CA . 11216 1 717 . 1 1 64 64 ALA CB C 13 18.556 0.300 . 1 . . . . 64 ALA CB . 11216 1 718 . 1 1 64 64 ALA N N 15 120.352 0.300 . 1 . . . . 64 ALA N . 11216 1 719 . 1 1 65 65 LEU H H 1 7.245 0.030 . 1 . . . . 65 LEU H . 11216 1 720 . 1 1 65 65 LEU HA H 1 4.547 0.030 . 1 . . . . 65 LEU HA . 11216 1 721 . 1 1 65 65 LEU HB2 H 1 1.564 0.030 . 1 . . . . 65 LEU HB2 . 11216 1 722 . 1 1 65 65 LEU HB3 H 1 1.564 0.030 . 1 . . . . 65 LEU HB3 . 11216 1 723 . 1 1 65 65 LEU HD11 H 1 0.890 0.030 . 1 . . . . 65 LEU HD1 . 11216 1 724 . 1 1 65 65 LEU HD12 H 1 0.890 0.030 . 1 . . . . 65 LEU HD1 . 11216 1 725 . 1 1 65 65 LEU HD13 H 1 0.890 0.030 . 1 . . . . 65 LEU HD1 . 11216 1 726 . 1 1 65 65 LEU HD21 H 1 0.827 0.030 . 1 . . . . 65 LEU HD2 . 11216 1 727 . 1 1 65 65 LEU HD22 H 1 0.827 0.030 . 1 . . . . 65 LEU HD2 . 11216 1 728 . 1 1 65 65 LEU HD23 H 1 0.827 0.030 . 1 . . . . 65 LEU HD2 . 11216 1 729 . 1 1 65 65 LEU HG H 1 1.680 0.030 . 1 . . . . 65 LEU HG . 11216 1 730 . 1 1 65 65 LEU C C 13 176.306 0.300 . 1 . . . . 65 LEU C . 11216 1 731 . 1 1 65 65 LEU CA C 13 54.104 0.300 . 1 . . . . 65 LEU CA . 11216 1 732 . 1 1 65 65 LEU CB C 13 44.119 0.300 . 1 . . . . 65 LEU CB . 11216 1 733 . 1 1 65 65 LEU CD1 C 13 25.770 0.300 . 2 . . . . 65 LEU CD1 . 11216 1 734 . 1 1 65 65 LEU CD2 C 13 23.630 0.300 . 2 . . . . 65 LEU CD2 . 11216 1 735 . 1 1 65 65 LEU CG C 13 27.044 0.300 . 1 . . . . 65 LEU CG . 11216 1 736 . 1 1 65 65 LEU N N 15 119.646 0.300 . 1 . . . . 65 LEU N . 11216 1 737 . 1 1 66 66 ASP H H 1 8.067 0.030 . 1 . . . . 66 ASP H . 11216 1 738 . 1 1 66 66 ASP HA H 1 4.673 0.030 . 1 . . . . 66 ASP HA . 11216 1 739 . 1 1 66 66 ASP HB2 H 1 3.085 0.030 . 2 . . . . 66 ASP HB2 . 11216 1 740 . 1 1 66 66 ASP HB3 H 1 2.810 0.030 . 2 . . . . 66 ASP HB3 . 11216 1 741 . 1 1 66 66 ASP C C 13 175.472 0.300 . 1 . . . . 66 ASP C . 11216 1 742 . 1 1 66 66 ASP CA C 13 52.212 0.300 . 1 . . . . 66 ASP CA . 11216 1 743 . 1 1 66 66 ASP CB C 13 41.611 0.300 . 1 . . . . 66 ASP CB . 11216 1 744 . 1 1 66 66 ASP N N 15 120.264 0.300 . 1 . . . . 66 ASP N . 11216 1 745 . 1 1 67 67 HIS H H 1 8.646 0.030 . 1 . . . . 67 HIS H . 11216 1 746 . 1 1 67 67 HIS HA H 1 3.902 0.030 . 1 . . . . 67 HIS HA . 11216 1 747 . 1 1 67 67 HIS HB2 H 1 3.378 0.030 . 2 . . . . 67 HIS HB2 . 11216 1 748 . 1 1 67 67 HIS HB3 H 1 3.170 0.030 . 2 . . . . 67 HIS HB3 . 11216 1 749 . 1 1 67 67 HIS HD2 H 1 7.130 0.030 . 1 . . . . 67 HIS HD2 . 11216 1 750 . 1 1 67 67 HIS HE1 H 1 8.140 0.030 . 1 . . . . 67 HIS HE1 . 11216 1 751 . 1 1 67 67 HIS C C 13 176.638 0.300 . 1 . . . . 67 HIS C . 11216 1 752 . 1 1 67 67 HIS CA C 13 60.947 0.300 . 1 . . . . 67 HIS CA . 11216 1 753 . 1 1 67 67 HIS CB C 13 29.461 0.300 . 1 . . . . 67 HIS CB . 11216 1 754 . 1 1 67 67 HIS CD2 C 13 122.896 0.300 . 1 . . . . 67 HIS CD2 . 11216 1 755 . 1 1 67 67 HIS CE1 C 13 137.884 0.300 . 1 . . . . 67 HIS CE1 . 11216 1 756 . 1 1 67 67 HIS N N 15 119.129 0.300 . 1 . . . . 67 HIS N . 11216 1 757 . 1 1 68 68 ASP H H 1 8.481 0.030 . 1 . . . . 68 ASP H . 11216 1 758 . 1 1 68 68 ASP HA H 1 4.258 0.030 . 1 . . . . 68 ASP HA . 11216 1 759 . 1 1 68 68 ASP HB2 H 1 2.679 0.030 . 1 . . . . 68 ASP HB2 . 11216 1 760 . 1 1 68 68 ASP HB3 H 1 2.679 0.030 . 1 . . . . 68 ASP HB3 . 11216 1 761 . 1 1 68 68 ASP C C 13 179.047 0.300 . 1 . . . . 68 ASP C . 11216 1 762 . 1 1 68 68 ASP CA C 13 57.350 0.300 . 1 . . . . 68 ASP CA . 11216 1 763 . 1 1 68 68 ASP CB C 13 39.661 0.300 . 1 . . . . 68 ASP CB . 11216 1 764 . 1 1 68 68 ASP N N 15 117.379 0.300 . 1 . . . . 68 ASP N . 11216 1 765 . 1 1 69 69 GLY H H 1 8.267 0.030 . 1 . . . . 69 GLY H . 11216 1 766 . 1 1 69 69 GLY HA2 H 1 3.926 0.030 . 2 . . . . 69 GLY HA2 . 11216 1 767 . 1 1 69 69 GLY HA3 H 1 3.798 0.030 . 2 . . . . 69 GLY HA3 . 11216 1 768 . 1 1 69 69 GLY C C 13 176.622 0.300 . 1 . . . . 69 GLY C . 11216 1 769 . 1 1 69 69 GLY CA C 13 46.962 0.300 . 1 . . . . 69 GLY CA . 11216 1 770 . 1 1 69 69 GLY N N 15 109.838 0.300 . 1 . . . . 69 GLY N . 11216 1 771 . 1 1 70 70 VAL H H 1 8.133 0.030 . 1 . . . . 70 VAL H . 11216 1 772 . 1 1 70 70 VAL HA H 1 3.527 0.030 . 1 . . . . 70 VAL HA . 11216 1 773 . 1 1 70 70 VAL HB H 1 2.025 0.030 . 1 . . . . 70 VAL HB . 11216 1 774 . 1 1 70 70 VAL HG11 H 1 0.758 0.030 . 1 . . . . 70 VAL HG1 . 11216 1 775 . 1 1 70 70 VAL HG12 H 1 0.758 0.030 . 1 . . . . 70 VAL HG1 . 11216 1 776 . 1 1 70 70 VAL HG13 H 1 0.758 0.030 . 1 . . . . 70 VAL HG1 . 11216 1 777 . 1 1 70 70 VAL HG21 H 1 0.948 0.030 . 1 . . . . 70 VAL HG2 . 11216 1 778 . 1 1 70 70 VAL HG22 H 1 0.948 0.030 . 1 . . . . 70 VAL HG2 . 11216 1 779 . 1 1 70 70 VAL HG23 H 1 0.948 0.030 . 1 . . . . 70 VAL HG2 . 11216 1 780 . 1 1 70 70 VAL C C 13 177.532 0.300 . 1 . . . . 70 VAL C . 11216 1 781 . 1 1 70 70 VAL CA C 13 67.156 0.300 . 1 . . . . 70 VAL CA . 11216 1 782 . 1 1 70 70 VAL CB C 13 31.080 0.300 . 1 . . . . 70 VAL CB . 11216 1 783 . 1 1 70 70 VAL CG1 C 13 22.132 0.300 . 2 . . . . 70 VAL CG1 . 11216 1 784 . 1 1 70 70 VAL CG2 C 13 23.771 0.300 . 2 . . . . 70 VAL CG2 . 11216 1 785 . 1 1 70 70 VAL N N 15 124.257 0.300 . 1 . . . . 70 VAL N . 11216 1 786 . 1 1 71 71 VAL H H 1 8.111 0.030 . 1 . . . . 71 VAL H . 11216 1 787 . 1 1 71 71 VAL HA H 1 3.411 0.030 . 1 . . . . 71 VAL HA . 11216 1 788 . 1 1 71 71 VAL HB H 1 2.045 0.030 . 1 . . . . 71 VAL HB . 11216 1 789 . 1 1 71 71 VAL HG11 H 1 0.912 0.030 . 1 . . . . 71 VAL HG1 . 11216 1 790 . 1 1 71 71 VAL HG12 H 1 0.912 0.030 . 1 . . . . 71 VAL HG1 . 11216 1 791 . 1 1 71 71 VAL HG13 H 1 0.912 0.030 . 1 . . . . 71 VAL HG1 . 11216 1 792 . 1 1 71 71 VAL HG21 H 1 0.758 0.030 . 1 . . . . 71 VAL HG2 . 11216 1 793 . 1 1 71 71 VAL HG22 H 1 0.758 0.030 . 1 . . . . 71 VAL HG2 . 11216 1 794 . 1 1 71 71 VAL HG23 H 1 0.758 0.030 . 1 . . . . 71 VAL HG2 . 11216 1 795 . 1 1 71 71 VAL C C 13 178.910 0.300 . 1 . . . . 71 VAL C . 11216 1 796 . 1 1 71 71 VAL CA C 13 67.269 0.300 . 1 . . . . 71 VAL CA . 11216 1 797 . 1 1 71 71 VAL CB C 13 31.466 0.300 . 1 . . . . 71 VAL CB . 11216 1 798 . 1 1 71 71 VAL CG1 C 13 21.251 0.300 . 2 . . . . 71 VAL CG1 . 11216 1 799 . 1 1 71 71 VAL CG2 C 13 22.129 0.300 . 2 . . . . 71 VAL CG2 . 11216 1 800 . 1 1 71 71 VAL N N 15 119.695 0.300 . 1 . . . . 71 VAL N . 11216 1 801 . 1 1 72 72 GLU H H 1 8.014 0.030 . 1 . . . . 72 GLU H . 11216 1 802 . 1 1 72 72 GLU HA H 1 4.211 0.030 . 1 . . . . 72 GLU HA . 11216 1 803 . 1 1 72 72 GLU HB2 H 1 2.153 0.030 . 2 . . . . 72 GLU HB2 . 11216 1 804 . 1 1 72 72 GLU HB3 H 1 2.054 0.030 . 2 . . . . 72 GLU HB3 . 11216 1 805 . 1 1 72 72 GLU HG2 H 1 2.347 0.030 . 2 . . . . 72 GLU HG2 . 11216 1 806 . 1 1 72 72 GLU HG3 H 1 2.258 0.030 . 2 . . . . 72 GLU HG3 . 11216 1 807 . 1 1 72 72 GLU C C 13 178.127 0.300 . 1 . . . . 72 GLU C . 11216 1 808 . 1 1 72 72 GLU CA C 13 59.003 0.300 . 1 . . . . 72 GLU CA . 11216 1 809 . 1 1 72 72 GLU CB C 13 29.100 0.300 . 1 . . . . 72 GLU CB . 11216 1 810 . 1 1 72 72 GLU CG C 13 35.621 0.300 . 1 . . . . 72 GLU CG . 11216 1 811 . 1 1 72 72 GLU N N 15 120.335 0.300 . 1 . . . . 72 GLU N . 11216 1 812 . 1 1 73 73 MET H H 1 7.699 0.030 . 1 . . . . 73 MET H . 11216 1 813 . 1 1 73 73 MET HA H 1 4.030 0.030 . 1 . . . . 73 MET HA . 11216 1 814 . 1 1 73 73 MET HB2 H 1 2.287 0.030 . 2 . . . . 73 MET HB2 . 11216 1 815 . 1 1 73 73 MET HB3 H 1 1.997 0.030 . 2 . . . . 73 MET HB3 . 11216 1 816 . 1 1 73 73 MET HE1 H 1 2.002 0.030 . 1 . . . . 73 MET HE . 11216 1 817 . 1 1 73 73 MET HE2 H 1 2.002 0.030 . 1 . . . . 73 MET HE . 11216 1 818 . 1 1 73 73 MET HE3 H 1 2.002 0.030 . 1 . . . . 73 MET HE . 11216 1 819 . 1 1 73 73 MET HG2 H 1 2.481 0.030 . 2 . . . . 73 MET HG2 . 11216 1 820 . 1 1 73 73 MET HG3 H 1 2.632 0.030 . 2 . . . . 73 MET HG3 . 11216 1 821 . 1 1 73 73 MET C C 13 179.551 0.300 . 1 . . . . 73 MET C . 11216 1 822 . 1 1 73 73 MET CA C 13 59.082 0.300 . 1 . . . . 73 MET CA . 11216 1 823 . 1 1 73 73 MET CB C 13 32.801 0.300 . 1 . . . . 73 MET CB . 11216 1 824 . 1 1 73 73 MET CE C 13 17.401 0.300 . 1 . . . . 73 MET CE . 11216 1 825 . 1 1 73 73 MET CG C 13 31.944 0.300 . 1 . . . . 73 MET CG . 11216 1 826 . 1 1 73 73 MET N N 15 119.010 0.300 . 1 . . . . 73 MET N . 11216 1 827 . 1 1 74 74 ILE H H 1 8.047 0.030 . 1 . . . . 74 ILE H . 11216 1 828 . 1 1 74 74 ILE HA H 1 3.504 0.030 . 1 . . . . 74 ILE HA . 11216 1 829 . 1 1 74 74 ILE HB H 1 1.959 0.030 . 1 . . . . 74 ILE HB . 11216 1 830 . 1 1 74 74 ILE HD11 H 1 0.748 0.030 . 1 . . . . 74 ILE HD1 . 11216 1 831 . 1 1 74 74 ILE HD12 H 1 0.748 0.030 . 1 . . . . 74 ILE HD1 . 11216 1 832 . 1 1 74 74 ILE HD13 H 1 0.748 0.030 . 1 . . . . 74 ILE HD1 . 11216 1 833 . 1 1 74 74 ILE HG12 H 1 1.803 0.030 . 2 . . . . 74 ILE HG12 . 11216 1 834 . 1 1 74 74 ILE HG13 H 1 0.928 0.030 . 2 . . . . 74 ILE HG13 . 11216 1 835 . 1 1 74 74 ILE HG21 H 1 0.773 0.030 . 1 . . . . 74 ILE HG2 . 11216 1 836 . 1 1 74 74 ILE HG22 H 1 0.773 0.030 . 1 . . . . 74 ILE HG2 . 11216 1 837 . 1 1 74 74 ILE HG23 H 1 0.773 0.030 . 1 . . . . 74 ILE HG2 . 11216 1 838 . 1 1 74 74 ILE C C 13 180.734 0.300 . 1 . . . . 74 ILE C . 11216 1 839 . 1 1 74 74 ILE CA C 13 64.957 0.300 . 1 . . . . 74 ILE CA . 11216 1 840 . 1 1 74 74 ILE CB C 13 38.357 0.300 . 1 . . . . 74 ILE CB . 11216 1 841 . 1 1 74 74 ILE CD1 C 13 13.750 0.300 . 1 . . . . 74 ILE CD1 . 11216 1 842 . 1 1 74 74 ILE CG1 C 13 29.630 0.300 . 1 . . . . 74 ILE CG1 . 11216 1 843 . 1 1 74 74 ILE CG2 C 13 17.069 0.300 . 1 . . . . 74 ILE CG2 . 11216 1 844 . 1 1 74 74 ILE N N 15 119.209 0.300 . 1 . . . . 74 ILE N . 11216 1 845 . 1 1 75 75 ARG H H 1 8.697 0.030 . 1 . . . . 75 ARG H . 11216 1 846 . 1 1 75 75 ARG HA H 1 4.135 0.030 . 1 . . . . 75 ARG HA . 11216 1 847 . 1 1 75 75 ARG HB2 H 1 2.018 0.030 . 1 . . . . 75 ARG HB2 . 11216 1 848 . 1 1 75 75 ARG HB3 H 1 2.018 0.030 . 1 . . . . 75 ARG HB3 . 11216 1 849 . 1 1 75 75 ARG HD2 H 1 3.283 0.030 . 2 . . . . 75 ARG HD2 . 11216 1 850 . 1 1 75 75 ARG HD3 H 1 3.169 0.030 . 2 . . . . 75 ARG HD3 . 11216 1 851 . 1 1 75 75 ARG HG2 H 1 1.813 0.030 . 2 . . . . 75 ARG HG2 . 11216 1 852 . 1 1 75 75 ARG HG3 H 1 1.654 0.030 . 2 . . . . 75 ARG HG3 . 11216 1 853 . 1 1 75 75 ARG C C 13 179.212 0.300 . 1 . . . . 75 ARG C . 11216 1 854 . 1 1 75 75 ARG CA C 13 59.979 0.300 . 1 . . . . 75 ARG CA . 11216 1 855 . 1 1 75 75 ARG CB C 13 30.325 0.300 . 1 . . . . 75 ARG CB . 11216 1 856 . 1 1 75 75 ARG CD C 13 43.237 0.300 . 1 . . . . 75 ARG CD . 11216 1 857 . 1 1 75 75 ARG CG C 13 27.332 0.300 . 1 . . . . 75 ARG CG . 11216 1 858 . 1 1 75 75 ARG N N 15 124.328 0.300 . 1 . . . . 75 ARG N . 11216 1 859 . 1 1 76 76 LYS H H 1 8.280 0.030 . 1 . . . . 76 LYS H . 11216 1 860 . 1 1 76 76 LYS HA H 1 4.133 0.030 . 1 . . . . 76 LYS HA . 11216 1 861 . 1 1 76 76 LYS HB2 H 1 1.937 0.030 . 1 . . . . 76 LYS HB2 . 11216 1 862 . 1 1 76 76 LYS HB3 H 1 1.937 0.030 . 1 . . . . 76 LYS HB3 . 11216 1 863 . 1 1 76 76 LYS HD2 H 1 1.701 0.030 . 1 . . . . 76 LYS HD2 . 11216 1 864 . 1 1 76 76 LYS HD3 H 1 1.701 0.030 . 1 . . . . 76 LYS HD3 . 11216 1 865 . 1 1 76 76 LYS HE2 H 1 2.996 0.030 . 1 . . . . 76 LYS HE2 . 11216 1 866 . 1 1 76 76 LYS HE3 H 1 2.996 0.030 . 1 . . . . 76 LYS HE3 . 11216 1 867 . 1 1 76 76 LYS HG2 H 1 1.536 0.030 . 2 . . . . 76 LYS HG2 . 11216 1 868 . 1 1 76 76 LYS HG3 H 1 1.669 0.030 . 2 . . . . 76 LYS HG3 . 11216 1 869 . 1 1 76 76 LYS C C 13 177.683 0.300 . 1 . . . . 76 LYS C . 11216 1 870 . 1 1 76 76 LYS CA C 13 58.350 0.300 . 1 . . . . 76 LYS CA . 11216 1 871 . 1 1 76 76 LYS CB C 13 32.571 0.300 . 1 . . . . 76 LYS CB . 11216 1 872 . 1 1 76 76 LYS CD C 13 29.229 0.300 . 1 . . . . 76 LYS CD . 11216 1 873 . 1 1 76 76 LYS CE C 13 42.093 0.300 . 1 . . . . 76 LYS CE . 11216 1 874 . 1 1 76 76 LYS CG C 13 25.604 0.300 . 1 . . . . 76 LYS CG . 11216 1 875 . 1 1 76 76 LYS N N 15 117.746 0.300 . 1 . . . . 76 LYS N . 11216 1 876 . 1 1 77 77 GLY H H 1 7.381 0.030 . 1 . . . . 77 GLY H . 11216 1 877 . 1 1 77 77 GLY HA2 H 1 4.223 0.030 . 1 . . . . 77 GLY HA2 . 11216 1 878 . 1 1 77 77 GLY HA3 H 1 4.223 0.030 . 1 . . . . 77 GLY HA3 . 11216 1 879 . 1 1 77 77 GLY C C 13 174.411 0.300 . 1 . . . . 77 GLY C . 11216 1 880 . 1 1 77 77 GLY CA C 13 45.667 0.300 . 1 . . . . 77 GLY CA . 11216 1 881 . 1 1 77 77 GLY N N 15 104.665 0.300 . 1 . . . . 77 GLY N . 11216 1 882 . 1 1 78 78 GLY H H 1 7.742 0.030 . 1 . . . . 78 GLY H . 11216 1 883 . 1 1 78 78 GLY HA2 H 1 4.315 0.030 . 2 . . . . 78 GLY HA2 . 11216 1 884 . 1 1 78 78 GLY HA3 H 1 3.767 0.030 . 2 . . . . 78 GLY HA3 . 11216 1 885 . 1 1 78 78 GLY C C 13 174.621 0.300 . 1 . . . . 78 GLY C . 11216 1 886 . 1 1 78 78 GLY CA C 13 46.261 0.300 . 1 . . . . 78 GLY CA . 11216 1 887 . 1 1 78 78 GLY N N 15 106.817 0.300 . 1 . . . . 78 GLY N . 11216 1 888 . 1 1 79 79 ASP H H 1 8.873 0.030 . 1 . . . . 79 ASP H . 11216 1 889 . 1 1 79 79 ASP HA H 1 4.559 0.030 . 1 . . . . 79 ASP HA . 11216 1 890 . 1 1 79 79 ASP HB2 H 1 2.900 0.030 . 2 . . . . 79 ASP HB2 . 11216 1 891 . 1 1 79 79 ASP HB3 H 1 2.697 0.030 . 2 . . . . 79 ASP HB3 . 11216 1 892 . 1 1 79 79 ASP C C 13 174.313 0.300 . 1 . . . . 79 ASP C . 11216 1 893 . 1 1 79 79 ASP CA C 13 55.026 0.300 . 1 . . . . 79 ASP CA . 11216 1 894 . 1 1 79 79 ASP CB C 13 40.891 0.300 . 1 . . . . 79 ASP CB . 11216 1 895 . 1 1 79 79 ASP N N 15 126.142 0.300 . 1 . . . . 79 ASP N . 11216 1 896 . 1 1 80 80 GLN H H 1 7.593 0.030 . 1 . . . . 80 GLN H . 11216 1 897 . 1 1 80 80 GLN HA H 1 5.447 0.030 . 1 . . . . 80 GLN HA . 11216 1 898 . 1 1 80 80 GLN HB2 H 1 2.133 0.030 . 2 . . . . 80 GLN HB2 . 11216 1 899 . 1 1 80 80 GLN HB3 H 1 1.929 0.030 . 2 . . . . 80 GLN HB3 . 11216 1 900 . 1 1 80 80 GLN HE21 H 1 6.734 0.030 . 2 . . . . 80 GLN HE21 . 11216 1 901 . 1 1 80 80 GLN HE22 H 1 7.247 0.030 . 2 . . . . 80 GLN HE22 . 11216 1 902 . 1 1 80 80 GLN HG2 H 1 2.242 0.030 . 2 . . . . 80 GLN HG2 . 11216 1 903 . 1 1 80 80 GLN HG3 H 1 2.092 0.030 . 2 . . . . 80 GLN HG3 . 11216 1 904 . 1 1 80 80 GLN C C 13 174.380 0.300 . 1 . . . . 80 GLN C . 11216 1 905 . 1 1 80 80 GLN CA C 13 54.721 0.300 . 1 . . . . 80 GLN CA . 11216 1 906 . 1 1 80 80 GLN CB C 13 32.563 0.300 . 1 . . . . 80 GLN CB . 11216 1 907 . 1 1 80 80 GLN CG C 13 33.177 0.300 . 1 . . . . 80 GLN CG . 11216 1 908 . 1 1 80 80 GLN N N 15 116.442 0.300 . 1 . . . . 80 GLN N . 11216 1 909 . 1 1 80 80 GLN NE2 N 15 111.459 0.300 . 1 . . . . 80 GLN NE2 . 11216 1 910 . 1 1 81 81 THR H H 1 8.930 0.030 . 1 . . . . 81 THR H . 11216 1 911 . 1 1 81 81 THR HA H 1 4.801 0.030 . 1 . . . . 81 THR HA . 11216 1 912 . 1 1 81 81 THR HB H 1 3.754 0.030 . 1 . . . . 81 THR HB . 11216 1 913 . 1 1 81 81 THR HG21 H 1 0.620 0.030 . 1 . . . . 81 THR HG2 . 11216 1 914 . 1 1 81 81 THR HG22 H 1 0.620 0.030 . 1 . . . . 81 THR HG2 . 11216 1 915 . 1 1 81 81 THR HG23 H 1 0.620 0.030 . 1 . . . . 81 THR HG2 . 11216 1 916 . 1 1 81 81 THR C C 13 171.156 0.300 . 1 . . . . 81 THR C . 11216 1 917 . 1 1 81 81 THR CA C 13 61.814 0.300 . 1 . . . . 81 THR CA . 11216 1 918 . 1 1 81 81 THR CB C 13 71.086 0.300 . 1 . . . . 81 THR CB . 11216 1 919 . 1 1 81 81 THR CG2 C 13 18.786 0.300 . 1 . . . . 81 THR CG2 . 11216 1 920 . 1 1 81 81 THR N N 15 117.306 0.300 . 1 . . . . 81 THR N . 11216 1 921 . 1 1 82 82 THR H H 1 8.113 0.030 . 1 . . . . 82 THR H . 11216 1 922 . 1 1 82 82 THR HA H 1 5.091 0.030 . 1 . . . . 82 THR HA . 11216 1 923 . 1 1 82 82 THR HB H 1 4.014 0.030 . 1 . . . . 82 THR HB . 11216 1 924 . 1 1 82 82 THR HG21 H 1 1.025 0.030 . 1 . . . . 82 THR HG2 . 11216 1 925 . 1 1 82 82 THR HG22 H 1 1.025 0.030 . 1 . . . . 82 THR HG2 . 11216 1 926 . 1 1 82 82 THR HG23 H 1 1.025 0.030 . 1 . . . . 82 THR HG2 . 11216 1 927 . 1 1 82 82 THR C C 13 173.739 0.300 . 1 . . . . 82 THR C . 11216 1 928 . 1 1 82 82 THR CA C 13 61.261 0.300 . 1 . . . . 82 THR CA . 11216 1 929 . 1 1 82 82 THR CB C 13 70.143 0.300 . 1 . . . . 82 THR CB . 11216 1 930 . 1 1 82 82 THR CG2 C 13 21.699 0.300 . 1 . . . . 82 THR CG2 . 11216 1 931 . 1 1 82 82 THR N N 15 122.356 0.300 . 1 . . . . 82 THR N . 11216 1 932 . 1 1 83 83 LEU H H 1 9.496 0.030 . 1 . . . . 83 LEU H . 11216 1 933 . 1 1 83 83 LEU HA H 1 5.066 0.030 . 1 . . . . 83 LEU HA . 11216 1 934 . 1 1 83 83 LEU HB2 H 1 1.623 0.030 . 2 . . . . 83 LEU HB2 . 11216 1 935 . 1 1 83 83 LEU HB3 H 1 1.153 0.030 . 2 . . . . 83 LEU HB3 . 11216 1 936 . 1 1 83 83 LEU HD11 H 1 0.280 0.030 . 1 . . . . 83 LEU HD1 . 11216 1 937 . 1 1 83 83 LEU HD12 H 1 0.280 0.030 . 1 . . . . 83 LEU HD1 . 11216 1 938 . 1 1 83 83 LEU HD13 H 1 0.280 0.030 . 1 . . . . 83 LEU HD1 . 11216 1 939 . 1 1 83 83 LEU HD21 H 1 0.682 0.030 . 1 . . . . 83 LEU HD2 . 11216 1 940 . 1 1 83 83 LEU HD22 H 1 0.682 0.030 . 1 . . . . 83 LEU HD2 . 11216 1 941 . 1 1 83 83 LEU HD23 H 1 0.682 0.030 . 1 . . . . 83 LEU HD2 . 11216 1 942 . 1 1 83 83 LEU HG H 1 1.468 0.030 . 1 . . . . 83 LEU HG . 11216 1 943 . 1 1 83 83 LEU C C 13 174.684 0.300 . 1 . . . . 83 LEU C . 11216 1 944 . 1 1 83 83 LEU CA C 13 52.624 0.300 . 1 . . . . 83 LEU CA . 11216 1 945 . 1 1 83 83 LEU CB C 13 44.724 0.300 . 1 . . . . 83 LEU CB . 11216 1 946 . 1 1 83 83 LEU CD1 C 13 26.273 0.300 . 2 . . . . 83 LEU CD1 . 11216 1 947 . 1 1 83 83 LEU CD2 C 13 23.738 0.300 . 2 . . . . 83 LEU CD2 . 11216 1 948 . 1 1 83 83 LEU CG C 13 26.617 0.300 . 1 . . . . 83 LEU CG . 11216 1 949 . 1 1 83 83 LEU N N 15 127.413 0.300 . 1 . . . . 83 LEU N . 11216 1 950 . 1 1 84 84 LEU H H 1 8.135 0.030 . 1 . . . . 84 LEU H . 11216 1 951 . 1 1 84 84 LEU HA H 1 5.075 0.030 . 1 . . . . 84 LEU HA . 11216 1 952 . 1 1 84 84 LEU HB2 H 1 1.815 0.030 . 2 . . . . 84 LEU HB2 . 11216 1 953 . 1 1 84 84 LEU HB3 H 1 1.236 0.030 . 2 . . . . 84 LEU HB3 . 11216 1 954 . 1 1 84 84 LEU HD11 H 1 0.730 0.030 . 1 . . . . 84 LEU HD1 . 11216 1 955 . 1 1 84 84 LEU HD12 H 1 0.730 0.030 . 1 . . . . 84 LEU HD1 . 11216 1 956 . 1 1 84 84 LEU HD13 H 1 0.730 0.030 . 1 . . . . 84 LEU HD1 . 11216 1 957 . 1 1 84 84 LEU HD21 H 1 0.686 0.030 . 1 . . . . 84 LEU HD2 . 11216 1 958 . 1 1 84 84 LEU HD22 H 1 0.686 0.030 . 1 . . . . 84 LEU HD2 . 11216 1 959 . 1 1 84 84 LEU HD23 H 1 0.686 0.030 . 1 . . . . 84 LEU HD2 . 11216 1 960 . 1 1 84 84 LEU HG H 1 1.190 0.030 . 1 . . . . 84 LEU HG . 11216 1 961 . 1 1 84 84 LEU C C 13 175.692 0.300 . 1 . . . . 84 LEU C . 11216 1 962 . 1 1 84 84 LEU CA C 13 54.216 0.300 . 1 . . . . 84 LEU CA . 11216 1 963 . 1 1 84 84 LEU CB C 13 43.987 0.300 . 1 . . . . 84 LEU CB . 11216 1 964 . 1 1 84 84 LEU CD1 C 13 25.310 0.300 . 2 . . . . 84 LEU CD1 . 11216 1 965 . 1 1 84 84 LEU CD2 C 13 23.256 0.300 . 2 . . . . 84 LEU CD2 . 11216 1 966 . 1 1 84 84 LEU CG C 13 27.867 0.300 . 1 . . . . 84 LEU CG . 11216 1 967 . 1 1 84 84 LEU N N 15 124.814 0.300 . 1 . . . . 84 LEU N . 11216 1 968 . 1 1 85 85 VAL H H 1 9.040 0.030 . 1 . . . . 85 VAL H . 11216 1 969 . 1 1 85 85 VAL HA H 1 5.295 0.030 . 1 . . . . 85 VAL HA . 11216 1 970 . 1 1 85 85 VAL HB H 1 1.822 0.030 . 1 . . . . 85 VAL HB . 11216 1 971 . 1 1 85 85 VAL HG11 H 1 0.739 0.030 . 1 . . . . 85 VAL HG1 . 11216 1 972 . 1 1 85 85 VAL HG12 H 1 0.739 0.030 . 1 . . . . 85 VAL HG1 . 11216 1 973 . 1 1 85 85 VAL HG13 H 1 0.739 0.030 . 1 . . . . 85 VAL HG1 . 11216 1 974 . 1 1 85 85 VAL HG21 H 1 0.712 0.030 . 1 . . . . 85 VAL HG2 . 11216 1 975 . 1 1 85 85 VAL HG22 H 1 0.712 0.030 . 1 . . . . 85 VAL HG2 . 11216 1 976 . 1 1 85 85 VAL HG23 H 1 0.712 0.030 . 1 . . . . 85 VAL HG2 . 11216 1 977 . 1 1 85 85 VAL C C 13 175.380 0.300 . 1 . . . . 85 VAL C . 11216 1 978 . 1 1 85 85 VAL CA C 13 59.298 0.300 . 1 . . . . 85 VAL CA . 11216 1 979 . 1 1 85 85 VAL CB C 13 35.069 0.300 . 1 . . . . 85 VAL CB . 11216 1 980 . 1 1 85 85 VAL CG1 C 13 21.732 0.300 . 2 . . . . 85 VAL CG1 . 11216 1 981 . 1 1 85 85 VAL CG2 C 13 20.492 0.300 . 2 . . . . 85 VAL CG2 . 11216 1 982 . 1 1 85 85 VAL N N 15 124.093 0.300 . 1 . . . . 85 VAL N . 11216 1 983 . 1 1 86 86 LEU H H 1 8.984 0.030 . 1 . . . . 86 LEU H . 11216 1 984 . 1 1 86 86 LEU HA H 1 4.659 0.030 . 1 . . . . 86 LEU HA . 11216 1 985 . 1 1 86 86 LEU HB2 H 1 1.637 0.030 . 2 . . . . 86 LEU HB2 . 11216 1 986 . 1 1 86 86 LEU HB3 H 1 1.534 0.030 . 2 . . . . 86 LEU HB3 . 11216 1 987 . 1 1 86 86 LEU HD11 H 1 0.842 0.030 . 1 . . . . 86 LEU HD1 . 11216 1 988 . 1 1 86 86 LEU HD12 H 1 0.842 0.030 . 1 . . . . 86 LEU HD1 . 11216 1 989 . 1 1 86 86 LEU HD13 H 1 0.842 0.030 . 1 . . . . 86 LEU HD1 . 11216 1 990 . 1 1 86 86 LEU HD21 H 1 0.782 0.030 . 1 . . . . 86 LEU HD2 . 11216 1 991 . 1 1 86 86 LEU HD22 H 1 0.782 0.030 . 1 . . . . 86 LEU HD2 . 11216 1 992 . 1 1 86 86 LEU HD23 H 1 0.782 0.030 . 1 . . . . 86 LEU HD2 . 11216 1 993 . 1 1 86 86 LEU HG H 1 1.560 0.030 . 1 . . . . 86 LEU HG . 11216 1 994 . 1 1 86 86 LEU C C 13 176.132 0.300 . 1 . . . . 86 LEU C . 11216 1 995 . 1 1 86 86 LEU CA C 13 53.780 0.300 . 1 . . . . 86 LEU CA . 11216 1 996 . 1 1 86 86 LEU CB C 13 44.151 0.300 . 1 . . . . 86 LEU CB . 11216 1 997 . 1 1 86 86 LEU CD1 C 13 25.261 0.300 . 2 . . . . 86 LEU CD1 . 11216 1 998 . 1 1 86 86 LEU CD2 C 13 23.950 0.300 . 2 . . . . 86 LEU CD2 . 11216 1 999 . 1 1 86 86 LEU CG C 13 27.088 0.300 . 1 . . . . 86 LEU CG . 11216 1 1000 . 1 1 86 86 LEU N N 15 125.059 0.300 . 1 . . . . 86 LEU N . 11216 1 1001 . 1 1 87 87 ASP H H 1 8.369 0.030 . 1 . . . . 87 ASP H . 11216 1 1002 . 1 1 87 87 ASP HA H 1 4.713 0.030 . 1 . . . . 87 ASP HA . 11216 1 1003 . 1 1 87 87 ASP HB2 H 1 2.716 0.030 . 2 . . . . 87 ASP HB2 . 11216 1 1004 . 1 1 87 87 ASP HB3 H 1 2.629 0.030 . 2 . . . . 87 ASP HB3 . 11216 1 1005 . 1 1 87 87 ASP C C 13 176.312 0.300 . 1 . . . . 87 ASP C . 11216 1 1006 . 1 1 87 87 ASP CA C 13 53.688 0.300 . 1 . . . . 87 ASP CA . 11216 1 1007 . 1 1 87 87 ASP CB C 13 41.797 0.300 . 1 . . . . 87 ASP CB . 11216 1 1008 . 1 1 87 87 ASP N N 15 123.375 0.300 . 1 . . . . 87 ASP N . 11216 1 1009 . 1 1 88 88 LYS H H 1 8.445 0.030 . 1 . . . . 88 LYS H . 11216 1 1010 . 1 1 88 88 LYS HA H 1 4.248 0.030 . 1 . . . . 88 LYS HA . 11216 1 1011 . 1 1 88 88 LYS HB2 H 1 1.832 0.030 . 1 . . . . 88 LYS HB2 . 11216 1 1012 . 1 1 88 88 LYS HB3 H 1 1.832 0.030 . 1 . . . . 88 LYS HB3 . 11216 1 1013 . 1 1 88 88 LYS HD2 H 1 1.692 0.030 . 1 . . . . 88 LYS HD2 . 11216 1 1014 . 1 1 88 88 LYS HD3 H 1 1.692 0.030 . 1 . . . . 88 LYS HD3 . 11216 1 1015 . 1 1 88 88 LYS HE2 H 1 2.995 0.030 . 1 . . . . 88 LYS HE2 . 11216 1 1016 . 1 1 88 88 LYS HE3 H 1 2.995 0.030 . 1 . . . . 88 LYS HE3 . 11216 1 1017 . 1 1 88 88 LYS HG2 H 1 1.447 0.030 . 1 . . . . 88 LYS HG2 . 11216 1 1018 . 1 1 88 88 LYS HG3 H 1 1.447 0.030 . 1 . . . . 88 LYS HG3 . 11216 1 1019 . 1 1 88 88 LYS C C 13 177.082 0.300 . 1 . . . . 88 LYS C . 11216 1 1020 . 1 1 88 88 LYS CA C 13 56.942 0.300 . 1 . . . . 88 LYS CA . 11216 1 1021 . 1 1 88 88 LYS CB C 13 32.785 0.300 . 1 . . . . 88 LYS CB . 11216 1 1022 . 1 1 88 88 LYS CD C 13 29.030 0.300 . 1 . . . . 88 LYS CD . 11216 1 1023 . 1 1 88 88 LYS CE C 13 42.087 0.300 . 1 . . . . 88 LYS CE . 11216 1 1024 . 1 1 88 88 LYS CG C 13 24.374 0.300 . 1 . . . . 88 LYS CG . 11216 1 1025 . 1 1 88 88 LYS N N 15 122.157 0.300 . 1 . . . . 88 LYS N . 11216 1 1026 . 1 1 89 89 GLU H H 1 8.491 0.030 . 1 . . . . 89 GLU H . 11216 1 1027 . 1 1 89 89 GLU HA H 1 4.215 0.030 . 1 . . . . 89 GLU HA . 11216 1 1028 . 1 1 89 89 GLU HB2 H 1 2.077 0.030 . 2 . . . . 89 GLU HB2 . 11216 1 1029 . 1 1 89 89 GLU HB3 H 1 1.968 0.030 . 2 . . . . 89 GLU HB3 . 11216 1 1030 . 1 1 89 89 GLU HG2 H 1 2.289 0.030 . 2 . . . . 89 GLU HG2 . 11216 1 1031 . 1 1 89 89 GLU HG3 H 1 2.272 0.030 . 2 . . . . 89 GLU HG3 . 11216 1 1032 . 1 1 89 89 GLU C C 13 176.854 0.300 . 1 . . . . 89 GLU C . 11216 1 1033 . 1 1 89 89 GLU CA C 13 57.086 0.300 . 1 . . . . 89 GLU CA . 11216 1 1034 . 1 1 89 89 GLU CB C 13 29.832 0.300 . 1 . . . . 89 GLU CB . 11216 1 1035 . 1 1 89 89 GLU CG C 13 36.444 0.300 . 1 . . . . 89 GLU CG . 11216 1 1036 . 1 1 89 89 GLU N N 15 121.492 0.300 . 1 . . . . 89 GLU N . 11216 1 1037 . 1 1 90 90 ALA H H 1 8.181 0.030 . 1 . . . . 90 ALA H . 11216 1 1038 . 1 1 90 90 ALA HA H 1 4.254 0.030 . 1 . . . . 90 ALA HA . 11216 1 1039 . 1 1 90 90 ALA HB1 H 1 1.435 0.030 . 1 . . . . 90 ALA HB . 11216 1 1040 . 1 1 90 90 ALA HB2 H 1 1.435 0.030 . 1 . . . . 90 ALA HB . 11216 1 1041 . 1 1 90 90 ALA HB3 H 1 1.435 0.030 . 1 . . . . 90 ALA HB . 11216 1 1042 . 1 1 90 90 ALA C C 13 178.111 0.300 . 1 . . . . 90 ALA C . 11216 1 1043 . 1 1 90 90 ALA CA C 13 52.931 0.300 . 1 . . . . 90 ALA CA . 11216 1 1044 . 1 1 90 90 ALA CB C 13 19.297 0.300 . 1 . . . . 90 ALA CB . 11216 1 1045 . 1 1 90 90 ALA N N 15 124.177 0.300 . 1 . . . . 90 ALA N . 11216 1 1046 . 1 1 91 91 GLU H H 1 8.297 0.030 . 1 . . . . 91 GLU H . 11216 1 1047 . 1 1 91 91 GLU HA H 1 4.215 0.030 . 1 . . . . 91 GLU HA . 11216 1 1048 . 1 1 91 91 GLU HB2 H 1 2.073 0.030 . 2 . . . . 91 GLU HB2 . 11216 1 1049 . 1 1 91 91 GLU HB3 H 1 1.972 0.030 . 2 . . . . 91 GLU HB3 . 11216 1 1050 . 1 1 91 91 GLU HG2 H 1 2.297 0.030 . 2 . . . . 91 GLU HG2 . 11216 1 1051 . 1 1 91 91 GLU HG3 H 1 2.258 0.030 . 2 . . . . 91 GLU HG3 . 11216 1 1052 . 1 1 91 91 GLU C C 13 176.863 0.300 . 1 . . . . 91 GLU C . 11216 1 1053 . 1 1 91 91 GLU CA C 13 57.086 0.300 . 1 . . . . 91 GLU CA . 11216 1 1054 . 1 1 91 91 GLU CB C 13 30.273 0.300 . 1 . . . . 91 GLU CB . 11216 1 1055 . 1 1 91 91 GLU CG C 13 36.408 0.300 . 1 . . . . 91 GLU CG . 11216 1 1056 . 1 1 91 91 GLU N N 15 119.418 0.300 . 1 . . . . 91 GLU N . 11216 1 1057 . 1 1 92 92 SER H H 1 8.213 0.030 . 1 . . . . 92 SER H . 11216 1 1058 . 1 1 92 92 SER HA H 1 4.417 0.030 . 1 . . . . 92 SER HA . 11216 1 1059 . 1 1 92 92 SER HB2 H 1 3.882 0.030 . 2 . . . . 92 SER HB2 . 11216 1 1060 . 1 1 92 92 SER HB3 H 1 3.835 0.030 . 2 . . . . 92 SER HB3 . 11216 1 1061 . 1 1 92 92 SER C C 13 174.898 0.300 . 1 . . . . 92 SER C . 11216 1 1062 . 1 1 92 92 SER CA C 13 58.648 0.300 . 1 . . . . 92 SER CA . 11216 1 1063 . 1 1 92 92 SER CB C 13 63.809 0.300 . 1 . . . . 92 SER CB . 11216 1 1064 . 1 1 92 92 SER N N 15 116.180 0.300 . 1 . . . . 92 SER N . 11216 1 1065 . 1 1 93 93 ILE H H 1 7.933 0.030 . 1 . . . . 93 ILE H . 11216 1 1066 . 1 1 93 93 ILE HA H 1 4.101 0.030 . 1 . . . . 93 ILE HA . 11216 1 1067 . 1 1 93 93 ILE HB H 1 1.787 0.030 . 1 . . . . 93 ILE HB . 11216 1 1068 . 1 1 93 93 ILE HD11 H 1 0.781 0.030 . 1 . . . . 93 ILE HD1 . 11216 1 1069 . 1 1 93 93 ILE HD12 H 1 0.781 0.030 . 1 . . . . 93 ILE HD1 . 11216 1 1070 . 1 1 93 93 ILE HD13 H 1 0.781 0.030 . 1 . . . . 93 ILE HD1 . 11216 1 1071 . 1 1 93 93 ILE HG12 H 1 1.195 0.030 . 2 . . . . 93 ILE HG12 . 11216 1 1072 . 1 1 93 93 ILE HG13 H 1 1.060 0.030 . 2 . . . . 93 ILE HG13 . 11216 1 1073 . 1 1 93 93 ILE HG21 H 1 0.731 0.030 . 1 . . . . 93 ILE HG2 . 11216 1 1074 . 1 1 93 93 ILE HG22 H 1 0.731 0.030 . 1 . . . . 93 ILE HG2 . 11216 1 1075 . 1 1 93 93 ILE HG23 H 1 0.731 0.030 . 1 . . . . 93 ILE HG2 . 11216 1 1076 . 1 1 93 93 ILE C C 13 176.282 0.300 . 1 . . . . 93 ILE C . 11216 1 1077 . 1 1 93 93 ILE CA C 13 61.814 0.300 . 1 . . . . 93 ILE CA . 11216 1 1078 . 1 1 93 93 ILE CB C 13 38.486 0.300 . 1 . . . . 93 ILE CB . 11216 1 1079 . 1 1 93 93 ILE CD1 C 13 13.195 0.300 . 1 . . . . 93 ILE CD1 . 11216 1 1080 . 1 1 93 93 ILE CG1 C 13 27.056 0.300 . 1 . . . . 93 ILE CG1 . 11216 1 1081 . 1 1 93 93 ILE CG2 C 13 17.416 0.300 . 1 . . . . 93 ILE CG2 . 11216 1 1082 . 1 1 93 93 ILE N N 15 121.260 0.300 . 1 . . . . 93 ILE N . 11216 1 1083 . 1 1 94 94 TYR H H 1 8.067 0.030 . 1 . . . . 94 TYR H . 11216 1 1084 . 1 1 94 94 TYR HA H 1 4.594 0.030 . 1 . . . . 94 TYR HA . 11216 1 1085 . 1 1 94 94 TYR HB2 H 1 3.103 0.030 . 2 . . . . 94 TYR HB2 . 11216 1 1086 . 1 1 94 94 TYR HB3 H 1 2.898 0.030 . 2 . . . . 94 TYR HB3 . 11216 1 1087 . 1 1 94 94 TYR HD1 H 1 7.115 0.030 . 1 . . . . 94 TYR HD1 . 11216 1 1088 . 1 1 94 94 TYR HD2 H 1 7.115 0.030 . 1 . . . . 94 TYR HD2 . 11216 1 1089 . 1 1 94 94 TYR HE1 H 1 6.810 0.030 . 1 . . . . 94 TYR HE1 . 11216 1 1090 . 1 1 94 94 TYR HE2 H 1 6.810 0.030 . 1 . . . . 94 TYR HE2 . 11216 1 1091 . 1 1 94 94 TYR C C 13 176.006 0.300 . 1 . . . . 94 TYR C . 11216 1 1092 . 1 1 94 94 TYR CA C 13 58.040 0.300 . 1 . . . . 94 TYR CA . 11216 1 1093 . 1 1 94 94 TYR CB C 13 38.745 0.300 . 1 . . . . 94 TYR CB . 11216 1 1094 . 1 1 94 94 TYR CD1 C 13 132.993 0.300 . 1 . . . . 94 TYR CD1 . 11216 1 1095 . 1 1 94 94 TYR CD2 C 13 132.993 0.300 . 1 . . . . 94 TYR CD2 . 11216 1 1096 . 1 1 94 94 TYR CE1 C 13 118.198 0.300 . 1 . . . . 94 TYR CE1 . 11216 1 1097 . 1 1 94 94 TYR CE2 C 13 118.198 0.300 . 1 . . . . 94 TYR CE2 . 11216 1 1098 . 1 1 94 94 TYR N N 15 122.803 0.300 . 1 . . . . 94 TYR N . 11216 1 1099 . 1 1 95 95 SER H H 1 8.056 0.030 . 1 . . . . 95 SER H . 11216 1 1100 . 1 1 95 95 SER HA H 1 4.406 0.030 . 1 . . . . 95 SER HA . 11216 1 1101 . 1 1 95 95 SER HB2 H 1 3.838 0.030 . 2 . . . . 95 SER HB2 . 11216 1 1102 . 1 1 95 95 SER HB3 H 1 3.855 0.030 . 2 . . . . 95 SER HB3 . 11216 1 1103 . 1 1 95 95 SER C C 13 174.456 0.300 . 1 . . . . 95 SER C . 11216 1 1104 . 1 1 95 95 SER CA C 13 58.356 0.300 . 1 . . . . 95 SER CA . 11216 1 1105 . 1 1 95 95 SER CB C 13 63.779 0.300 . 1 . . . . 95 SER CB . 11216 1 1106 . 1 1 95 95 SER N N 15 116.851 0.300 . 1 . . . . 95 SER N . 11216 1 1107 . 1 1 96 96 LEU H H 1 8.154 0.030 . 1 . . . . 96 LEU H . 11216 1 1108 . 1 1 96 96 LEU HA H 1 4.384 0.030 . 1 . . . . 96 LEU HA . 11216 1 1109 . 1 1 96 96 LEU HB2 H 1 1.645 0.030 . 2 . . . . 96 LEU HB2 . 11216 1 1110 . 1 1 96 96 LEU HB3 H 1 1.669 0.030 . 2 . . . . 96 LEU HB3 . 11216 1 1111 . 1 1 96 96 LEU HD11 H 1 0.933 0.030 . 1 . . . . 96 LEU HD1 . 11216 1 1112 . 1 1 96 96 LEU HD12 H 1 0.933 0.030 . 1 . . . . 96 LEU HD1 . 11216 1 1113 . 1 1 96 96 LEU HD13 H 1 0.933 0.030 . 1 . . . . 96 LEU HD1 . 11216 1 1114 . 1 1 96 96 LEU HD21 H 1 0.882 0.030 . 1 . . . . 96 LEU HD2 . 11216 1 1115 . 1 1 96 96 LEU HD22 H 1 0.882 0.030 . 1 . . . . 96 LEU HD2 . 11216 1 1116 . 1 1 96 96 LEU HD23 H 1 0.882 0.030 . 1 . . . . 96 LEU HD2 . 11216 1 1117 . 1 1 96 96 LEU HG H 1 1.656 0.030 . 1 . . . . 96 LEU HG . 11216 1 1118 . 1 1 96 96 LEU C C 13 177.477 0.300 . 1 . . . . 96 LEU C . 11216 1 1119 . 1 1 96 96 LEU CA C 13 55.403 0.300 . 1 . . . . 96 LEU CA . 11216 1 1120 . 1 1 96 96 LEU CB C 13 42.261 0.300 . 1 . . . . 96 LEU CB . 11216 1 1121 . 1 1 96 96 LEU CD1 C 13 25.027 0.300 . 2 . . . . 96 LEU CD1 . 11216 1 1122 . 1 1 96 96 LEU CD2 C 13 23.428 0.300 . 2 . . . . 96 LEU CD2 . 11216 1 1123 . 1 1 96 96 LEU CG C 13 26.966 0.300 . 1 . . . . 96 LEU CG . 11216 1 1124 . 1 1 96 96 LEU N N 15 123.980 0.300 . 1 . . . . 96 LEU N . 11216 1 1125 . 1 1 97 97 SER H H 1 8.189 0.030 . 1 . . . . 97 SER H . 11216 1 1126 . 1 1 97 97 SER HA H 1 4.493 0.030 . 1 . . . . 97 SER HA . 11216 1 1127 . 1 1 97 97 SER HB2 H 1 3.877 0.030 . 1 . . . . 97 SER HB2 . 11216 1 1128 . 1 1 97 97 SER HB3 H 1 3.877 0.030 . 1 . . . . 97 SER HB3 . 11216 1 1129 . 1 1 97 97 SER C C 13 174.513 0.300 . 1 . . . . 97 SER C . 11216 1 1130 . 1 1 97 97 SER CA C 13 58.280 0.300 . 1 . . . . 97 SER CA . 11216 1 1131 . 1 1 97 97 SER CB C 13 63.993 0.300 . 1 . . . . 97 SER CB . 11216 1 1132 . 1 1 97 97 SER N N 15 115.803 0.300 . 1 . . . . 97 SER N . 11216 1 1133 . 1 1 98 98 GLY H H 1 8.137 0.030 . 1 . . . . 98 GLY H . 11216 1 1134 . 1 1 98 98 GLY HA2 H 1 4.082 0.030 . 2 . . . . 98 GLY HA2 . 11216 1 1135 . 1 1 98 98 GLY HA3 H 1 4.143 0.030 . 2 . . . . 98 GLY HA3 . 11216 1 1136 . 1 1 98 98 GLY C C 13 171.738 0.300 . 1 . . . . 98 GLY C . 11216 1 1137 . 1 1 98 98 GLY CA C 13 44.652 0.300 . 1 . . . . 98 GLY CA . 11216 1 1138 . 1 1 98 98 GLY N N 15 110.616 0.300 . 1 . . . . 98 GLY N . 11216 1 1139 . 1 1 99 99 PRO HA H 1 4.474 0.030 . 1 . . . . 99 PRO HA . 11216 1 1140 . 1 1 99 99 PRO HB2 H 1 2.286 0.030 . 2 . . . . 99 PRO HB2 . 11216 1 1141 . 1 1 99 99 PRO HB3 H 1 1.975 0.030 . 2 . . . . 99 PRO HB3 . 11216 1 1142 . 1 1 99 99 PRO HD2 H 1 3.626 0.030 . 2 . . . . 99 PRO HD2 . 11216 1 1143 . 1 1 99 99 PRO HD3 H 1 3.606 0.030 . 2 . . . . 99 PRO HD3 . 11216 1 1144 . 1 1 99 99 PRO HG2 H 1 1.991 0.030 . 1 . . . . 99 PRO HG2 . 11216 1 1145 . 1 1 99 99 PRO HG3 H 1 1.991 0.030 . 1 . . . . 99 PRO HG3 . 11216 1 1146 . 1 1 99 99 PRO C C 13 177.389 0.300 . 1 . . . . 99 PRO C . 11216 1 1147 . 1 1 99 99 PRO CA C 13 63.224 0.300 . 1 . . . . 99 PRO CA . 11216 1 1148 . 1 1 99 99 PRO CB C 13 32.168 0.300 . 1 . . . . 99 PRO CB . 11216 1 1149 . 1 1 99 99 PRO CD C 13 49.801 0.300 . 1 . . . . 99 PRO CD . 11216 1 1150 . 1 1 99 99 PRO CG C 13 27.139 0.300 . 1 . . . . 99 PRO CG . 11216 1 1151 . 1 1 100 100 SER H H 1 8.493 0.030 . 1 . . . . 100 SER H . 11216 1 1152 . 1 1 100 100 SER HA H 1 4.530 0.030 . 1 . . . . 100 SER HA . 11216 1 1153 . 1 1 100 100 SER HB2 H 1 3.850 0.030 . 1 . . . . 100 SER HB2 . 11216 1 1154 . 1 1 100 100 SER HB3 H 1 3.850 0.030 . 1 . . . . 100 SER HB3 . 11216 1 1155 . 1 1 100 100 SER C C 13 174.570 0.300 . 1 . . . . 100 SER C . 11216 1 1156 . 1 1 100 100 SER CA C 13 58.324 0.300 . 1 . . . . 100 SER CA . 11216 1 1157 . 1 1 100 100 SER CB C 13 63.963 0.300 . 1 . . . . 100 SER CB . 11216 1 1158 . 1 1 100 100 SER N N 15 116.364 0.300 . 1 . . . . 100 SER N . 11216 1 1159 . 1 1 101 101 SER H H 1 8.347 0.030 . 1 . . . . 101 SER H . 11216 1 1160 . 1 1 101 101 SER HA H 1 4.517 0.030 . 1 . . . . 101 SER HA . 11216 1 1161 . 1 1 101 101 SER HB2 H 1 3.914 0.030 . 1 . . . . 101 SER HB2 . 11216 1 1162 . 1 1 101 101 SER HB3 H 1 3.914 0.030 . 1 . . . . 101 SER HB3 . 11216 1 1163 . 1 1 101 101 SER C C 13 173.974 0.300 . 1 . . . . 101 SER C . 11216 1 1164 . 1 1 101 101 SER CA C 13 58.490 0.300 . 1 . . . . 101 SER CA . 11216 1 1165 . 1 1 101 101 SER CB C 13 64.117 0.300 . 1 . . . . 101 SER CB . 11216 1 1166 . 1 1 101 101 SER N N 15 117.658 0.300 . 1 . . . . 101 SER N . 11216 1 1167 . 1 1 102 102 GLY H H 1 8.055 0.030 . 1 . . . . 102 GLY H . 11216 1 1168 . 1 1 102 102 GLY HA2 H 1 3.800 0.030 . 1 . . . . 102 GLY HA2 . 11216 1 1169 . 1 1 102 102 GLY HA3 H 1 3.800 0.030 . 1 . . . . 102 GLY HA3 . 11216 1 1170 . 1 1 102 102 GLY C C 13 178.973 0.300 . 1 . . . . 102 GLY C . 11216 1 1171 . 1 1 102 102 GLY CA C 13 46.240 0.300 . 1 . . . . 102 GLY CA . 11216 1 1172 . 1 1 102 102 GLY N N 15 116.876 0.300 . 1 . . . . 102 GLY N . 11216 1 stop_ save_