data_18278 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18278 _Entry.Title ; Solution Structure of FKBP12 from Aedes aegypti ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-20 _Entry.Accession_date 2012-02-20 _Entry.Last_release_date 2013-02-05 _Entry.Original_release_date 2013-02-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Goutam Chakraborty . . . 18278 2 Joon Shin . . . 18278 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18278 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Aedes aegypti' . 18278 FKBP12 . 18278 NMR . 18278 'Solution Structure' . 18278 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18278 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 423 18278 '15N chemical shifts' 104 18278 '1H chemical shifts' 715 18278 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 . . 2013-02-05 2012-02-20 original author . 18278 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LPV 'BMRB Entry Tracking System' 18278 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18278 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22806993 _Citation.Full_citation . _Citation.Title 'Solution structure of FK506-binding protein 12 from Aedes aegypti' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 80 _Citation.Journal_issue 10 _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 2476 _Citation.Page_last 2481 _Citation.Year 2012 _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 Goutam Chakraborty . . . 18278 1 2 Joon Shin . . . 18278 1 3 Q. Nguyen . T. . 18278 1 4 A. Harikishore . . . 18278 1 5 K. Baek . . . 18278 1 6 H. Yoon . S. . 18278 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18278 _Assembly.ID 1 _Assembly.Name 'FKBP12 from Aedes aegypti' _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 'FKBP12 from Aedes aegypti' 1 $FKBP12 A . yes native no no . . . 18278 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FKBP12 _Entity.Sf_category entity _Entity.Sf_framecode FKBP12 _Entity.Entry_ID 18278 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FKBP12 _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 ; MGVQVVTLAAGDEATYPKAG QVAVVHYTGTLADGKVFDSS RTRGKPFRFTVGRGEVIRGW DEGVAQMSVGQRAKLVCSPD YAYGSRGHPGVIPPNATLTF DVELLRVE ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11553.165 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2LPV . "Solution Structure Of Fkbp12 From Aedes Aegypti" . . . . . 100.00 108 100.00 100.00 2.50e-71 . . . . 18278 1 2 no PDB 3UQI . "Crystallographic Structure Of Fkbp12 From Aedes Aegypti" . . . . . 100.00 108 100.00 100.00 2.50e-71 . . . . 18278 1 3 no GB ABF18244 . "FKBP-type peptidyl-prolyl cis-trans isomerase [Aedes aegypti]" . . . . . 100.00 108 100.00 100.00 2.50e-71 . . . . 18278 1 4 no GB EAT40395 . "AAEL007883-PA [Aedes aegypti]" . . . . . 100.00 108 100.00 100.00 2.50e-71 . . . . 18278 1 5 no GB EJY57709 . "AAEL007883-PB [Aedes aegypti]" . . . . . 100.00 108 100.00 100.00 2.50e-71 . . . . 18278 1 6 no GB EJY57710 . "AAEL007883-PC [Aedes aegypti]" . . . . . 100.00 108 100.00 100.00 2.50e-71 . . . . 18278 1 7 no REF XP_001652969 . "AAEL007883-PA [Aedes aegypti]" . . . . . 100.00 108 100.00 100.00 2.50e-71 . . . . 18278 1 8 no REF XP_011493401 . "AAEL007883-PB [Aedes aegypti]" . . . . . 100.00 108 100.00 100.00 2.50e-71 . . . . 18278 1 9 no REF XP_011493402 . "AAEL007883-PC [Aedes aegypti]" . . . . . 100.00 108 100.00 100.00 2.50e-71 . . . . 18278 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 . MET . 18278 1 2 . GLY . 18278 1 3 . VAL . 18278 1 4 . GLN . 18278 1 5 . VAL . 18278 1 6 . VAL . 18278 1 7 . THR . 18278 1 8 . LEU . 18278 1 9 . ALA . 18278 1 10 . ALA . 18278 1 11 . GLY . 18278 1 12 . ASP . 18278 1 13 . GLU . 18278 1 14 . ALA . 18278 1 15 . THR . 18278 1 16 . TYR . 18278 1 17 . PRO . 18278 1 18 . LYS . 18278 1 19 . ALA . 18278 1 20 . GLY . 18278 1 21 . GLN . 18278 1 22 . VAL . 18278 1 23 . ALA . 18278 1 24 . VAL . 18278 1 25 . VAL . 18278 1 26 . HIS . 18278 1 27 . TYR . 18278 1 28 . THR . 18278 1 29 . GLY . 18278 1 30 . THR . 18278 1 31 . LEU . 18278 1 32 . ALA . 18278 1 33 . ASP . 18278 1 34 . GLY . 18278 1 35 . LYS . 18278 1 36 . VAL . 18278 1 37 . PHE . 18278 1 38 . ASP . 18278 1 39 . SER . 18278 1 40 . SER . 18278 1 41 . ARG . 18278 1 42 . THR . 18278 1 43 . ARG . 18278 1 44 . GLY . 18278 1 45 . LYS . 18278 1 46 . PRO . 18278 1 47 . PHE . 18278 1 48 . ARG . 18278 1 49 . PHE . 18278 1 50 . THR . 18278 1 51 . VAL . 18278 1 52 . GLY . 18278 1 53 . ARG . 18278 1 54 . GLY . 18278 1 55 . GLU . 18278 1 56 . VAL . 18278 1 57 . ILE . 18278 1 58 . ARG . 18278 1 59 . GLY . 18278 1 60 . TRP . 18278 1 61 . ASP . 18278 1 62 . GLU . 18278 1 63 . GLY . 18278 1 64 . VAL . 18278 1 65 . ALA . 18278 1 66 . GLN . 18278 1 67 . MET . 18278 1 68 . SER . 18278 1 69 . VAL . 18278 1 70 . GLY . 18278 1 71 . GLN . 18278 1 72 . ARG . 18278 1 73 . ALA . 18278 1 74 . LYS . 18278 1 75 . LEU . 18278 1 76 . VAL . 18278 1 77 . CYS . 18278 1 78 . SER . 18278 1 79 . PRO . 18278 1 80 . ASP . 18278 1 81 . TYR . 18278 1 82 . ALA . 18278 1 83 . TYR . 18278 1 84 . GLY . 18278 1 85 . SER . 18278 1 86 . ARG . 18278 1 87 . GLY . 18278 1 88 . HIS . 18278 1 89 . PRO . 18278 1 90 . GLY . 18278 1 91 . VAL . 18278 1 92 . ILE . 18278 1 93 . PRO . 18278 1 94 . PRO . 18278 1 95 . ASN . 18278 1 96 . ALA . 18278 1 97 . THR . 18278 1 98 . LEU . 18278 1 99 . THR . 18278 1 100 . PHE . 18278 1 101 . ASP . 18278 1 102 . VAL . 18278 1 103 . GLU . 18278 1 104 . LEU . 18278 1 105 . LEU . 18278 1 106 . ARG . 18278 1 107 . VAL . 18278 1 108 . GLU . 18278 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 . MET 1 1 18278 1 . GLY 2 2 18278 1 . VAL 3 3 18278 1 . GLN 4 4 18278 1 . VAL 5 5 18278 1 . VAL 6 6 18278 1 . THR 7 7 18278 1 . LEU 8 8 18278 1 . ALA 9 9 18278 1 . ALA 10 10 18278 1 . GLY 11 11 18278 1 . ASP 12 12 18278 1 . GLU 13 13 18278 1 . ALA 14 14 18278 1 . THR 15 15 18278 1 . TYR 16 16 18278 1 . PRO 17 17 18278 1 . LYS 18 18 18278 1 . ALA 19 19 18278 1 . GLY 20 20 18278 1 . GLN 21 21 18278 1 . VAL 22 22 18278 1 . ALA 23 23 18278 1 . VAL 24 24 18278 1 . VAL 25 25 18278 1 . HIS 26 26 18278 1 . TYR 27 27 18278 1 . THR 28 28 18278 1 . GLY 29 29 18278 1 . THR 30 30 18278 1 . LEU 31 31 18278 1 . ALA 32 32 18278 1 . ASP 33 33 18278 1 . GLY 34 34 18278 1 . LYS 35 35 18278 1 . VAL 36 36 18278 1 . PHE 37 37 18278 1 . ASP 38 38 18278 1 . SER 39 39 18278 1 . SER 40 40 18278 1 . ARG 41 41 18278 1 . THR 42 42 18278 1 . ARG 43 43 18278 1 . GLY 44 44 18278 1 . LYS 45 45 18278 1 . PRO 46 46 18278 1 . PHE 47 47 18278 1 . ARG 48 48 18278 1 . PHE 49 49 18278 1 . THR 50 50 18278 1 . VAL 51 51 18278 1 . GLY 52 52 18278 1 . ARG 53 53 18278 1 . GLY 54 54 18278 1 . GLU 55 55 18278 1 . VAL 56 56 18278 1 . ILE 57 57 18278 1 . ARG 58 58 18278 1 . GLY 59 59 18278 1 . TRP 60 60 18278 1 . ASP 61 61 18278 1 . GLU 62 62 18278 1 . GLY 63 63 18278 1 . VAL 64 64 18278 1 . ALA 65 65 18278 1 . GLN 66 66 18278 1 . MET 67 67 18278 1 . SER 68 68 18278 1 . VAL 69 69 18278 1 . GLY 70 70 18278 1 . GLN 71 71 18278 1 . ARG 72 72 18278 1 . ALA 73 73 18278 1 . LYS 74 74 18278 1 . LEU 75 75 18278 1 . VAL 76 76 18278 1 . CYS 77 77 18278 1 . SER 78 78 18278 1 . PRO 79 79 18278 1 . ASP 80 80 18278 1 . TYR 81 81 18278 1 . ALA 82 82 18278 1 . TYR 83 83 18278 1 . GLY 84 84 18278 1 . SER 85 85 18278 1 . ARG 86 86 18278 1 . GLY 87 87 18278 1 . HIS 88 88 18278 1 . PRO 89 89 18278 1 . GLY 90 90 18278 1 . VAL 91 91 18278 1 . ILE 92 92 18278 1 . PRO 93 93 18278 1 . PRO 94 94 18278 1 . ASN 95 95 18278 1 . ALA 96 96 18278 1 . THR 97 97 18278 1 . LEU 98 98 18278 1 . THR 99 99 18278 1 . PHE 100 100 18278 1 . ASP 101 101 18278 1 . VAL 102 102 18278 1 . GLU 103 103 18278 1 . LEU 104 104 18278 1 . LEU 105 105 18278 1 . ARG 106 106 18278 1 . VAL 107 107 18278 1 . GLU 108 108 18278 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 18278 _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 $FKBP12 . 7159 organism . 'Aedes aegypti' flies . . Eukaryota Metazoa Aedes aegypti . . . . . . . . . . . . . . . . . . . . . 18278 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 18278 _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 $FKBP12 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-SUMO . . . . . . 18278 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18278 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FKBP12 [U-15N] . . 1 $FKBP12 . . 0.5 . . mM . . . . 18278 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18278 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18278 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18278 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FKBP12 '[U-100% 13C; U-100% 15N]' . . 1 $FKBP12 . . 0.5 . . mM . . . . 18278 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18278 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18278 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18278 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 FKBP12 '[U-100% 13C; U-100% 15N]' . . 1 $FKBP12 . . 0.5 . . mM . . . . 18278 3 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18278 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18278 _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 pH 7 . pH 18278 1 pressure 1 . atm 18278 1 temperature 298 . K 18278 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18278 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18278 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18278 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18278 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18278 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18278 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18278 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18278 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18278 3 'data analysis' 18278 3 'peak picking' 18278 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18278 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18278 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18278 4 'structure solution' 18278 4 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 18278 _Software.ID 5 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 18278 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure Visualization' 18278 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 18278 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18278 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18278 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 18278 1 2 spectrometer_2 Bruker Avance . 600 . . . 18278 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 18278 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18278 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18278 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18278 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18278 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18278 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18278 1 7 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18278 1 8 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18278 1 9 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18278 1 10 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18278 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18278 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18278 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18278 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18278 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 0.00 na indirect 0.251449530 . . . . . . . . . 18278 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18278 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18278 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18278 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 '2D 1H-15N HSQC' . . . 18278 1 2 '3D HNCACB' . . . 18278 1 3 '3D CBCA(CO)NH' . . . 18278 1 4 '3D HNCA' . . . 18278 1 5 '3D HN(CO)CA' . . . 18278 1 6 '3D HNCO' . . . 18278 1 7 '3D HN(CA)CO' . . . 18278 1 8 '3D C(CO)NH' . . . 18278 1 9 '3D H(CCO)NH' . . . 18278 1 10 '3D HNHA' . . . 18278 1 11 '3D 1H-15N NOESY' . . . 18278 1 12 '3D HCCH-TOCSY' . . . 18278 1 13 '3D 1H-13C NOESY' . . . 18278 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.698 0.020 . 1 . . . A 1 MET HA . 18278 1 2 . 1 1 2 2 GLY HA2 H 1 3.064 0.020 . 2 . . . A 2 GLY HA2 . 18278 1 3 . 1 1 2 2 GLY HA3 H 1 3.004 0.020 . 2 . . . A 2 GLY HA3 . 18278 1 4 . 1 1 2 2 GLY C C 13 172.529 0.400 . 1 . . . A 2 GLY C . 18278 1 5 . 1 1 2 2 GLY CA C 13 45.354 0.400 . 1 . . . A 2 GLY CA . 18278 1 6 . 1 1 3 3 VAL H H 1 7.648 0.020 . 1 . . . A 3 VAL H . 18278 1 7 . 1 1 3 3 VAL HA H 1 4.960 0.020 . 1 . . . A 3 VAL HA . 18278 1 8 . 1 1 3 3 VAL HB H 1 1.824 0.020 . 1 . . . A 3 VAL HB . 18278 1 9 . 1 1 3 3 VAL HG11 H 1 0.803 0.020 . 2 . . . A 3 VAL HG11 . 18278 1 10 . 1 1 3 3 VAL HG12 H 1 0.803 0.020 . 2 . . . A 3 VAL HG12 . 18278 1 11 . 1 1 3 3 VAL HG13 H 1 0.803 0.020 . 2 . . . A 3 VAL HG13 . 18278 1 12 . 1 1 3 3 VAL HG21 H 1 0.814 0.020 . 2 . . . A 3 VAL HG21 . 18278 1 13 . 1 1 3 3 VAL HG22 H 1 0.814 0.020 . 2 . . . A 3 VAL HG22 . 18278 1 14 . 1 1 3 3 VAL HG23 H 1 0.814 0.020 . 2 . . . A 3 VAL HG23 . 18278 1 15 . 1 1 3 3 VAL C C 13 173.461 0.400 . 1 . . . A 3 VAL C . 18278 1 16 . 1 1 3 3 VAL CA C 13 59.148 0.400 . 1 . . . A 3 VAL CA . 18278 1 17 . 1 1 3 3 VAL CB C 13 34.592 0.400 . 1 . . . A 3 VAL CB . 18278 1 18 . 1 1 3 3 VAL CG1 C 13 22.508 0.400 . 2 . . . A 3 VAL CG1 . 18278 1 19 . 1 1 3 3 VAL CG2 C 13 19.338 0.400 . 2 . . . A 3 VAL CG2 . 18278 1 20 . 1 1 3 3 VAL N N 15 118.483 0.400 . 1 . . . A 3 VAL N . 18278 1 21 . 1 1 4 4 GLN H H 1 8.249 0.020 . 1 . . . A 4 GLN H . 18278 1 22 . 1 1 4 4 GLN HA H 1 4.581 0.020 . 1 . . . A 4 GLN HA . 18278 1 23 . 1 1 4 4 GLN HB2 H 1 1.999 0.020 . 2 . . . A 4 GLN HB2 . 18278 1 24 . 1 1 4 4 GLN HB3 H 1 1.816 0.020 . 2 . . . A 4 GLN HB3 . 18278 1 25 . 1 1 4 4 GLN HG2 H 1 2.283 0.020 . 2 . . . A 4 GLN HG2 . 18278 1 26 . 1 1 4 4 GLN HG3 H 1 2.119 0.020 . 2 . . . A 4 GLN HG3 . 18278 1 27 . 1 1 4 4 GLN HE21 H 1 6.695 0.020 . 2 . . . A 4 GLN HE21 . 18278 1 28 . 1 1 4 4 GLN HE22 H 1 7.363 0.020 . 2 . . . A 4 GLN HE22 . 18278 1 29 . 1 1 4 4 GLN C C 13 174.306 0.400 . 1 . . . A 4 GLN C . 18278 1 30 . 1 1 4 4 GLN CA C 13 54.225 0.400 . 1 . . . A 4 GLN CA . 18278 1 31 . 1 1 4 4 GLN CB C 13 31.167 0.400 . 1 . . . A 4 GLN CB . 18278 1 32 . 1 1 4 4 GLN CG C 13 33.818 0.400 . 1 . . . A 4 GLN CG . 18278 1 33 . 1 1 4 4 GLN N N 15 127.234 0.400 . 1 . . . A 4 GLN N . 18278 1 34 . 1 1 4 4 GLN NE2 N 15 111.325 0.400 . 1 . . . A 4 GLN NE2 . 18278 1 35 . 1 1 5 5 VAL H H 1 8.686 0.020 . 1 . . . A 5 VAL H . 18278 1 36 . 1 1 5 5 VAL HA H 1 4.567 0.020 . 1 . . . A 5 VAL HA . 18278 1 37 . 1 1 5 5 VAL HB H 1 1.969 0.020 . 1 . . . A 5 VAL HB . 18278 1 38 . 1 1 5 5 VAL HG11 H 1 0.620 0.020 . 2 . . . A 5 VAL HG11 . 18278 1 39 . 1 1 5 5 VAL HG12 H 1 0.620 0.020 . 2 . . . A 5 VAL HG12 . 18278 1 40 . 1 1 5 5 VAL HG13 H 1 0.620 0.020 . 2 . . . A 5 VAL HG13 . 18278 1 41 . 1 1 5 5 VAL HG21 H 1 0.751 0.020 . 2 . . . A 5 VAL HG21 . 18278 1 42 . 1 1 5 5 VAL HG22 H 1 0.751 0.020 . 2 . . . A 5 VAL HG22 . 18278 1 43 . 1 1 5 5 VAL HG23 H 1 0.751 0.020 . 2 . . . A 5 VAL HG23 . 18278 1 44 . 1 1 5 5 VAL C C 13 175.967 0.400 . 1 . . . A 5 VAL C . 18278 1 45 . 1 1 5 5 VAL CA C 13 61.836 0.400 . 1 . . . A 5 VAL CA . 18278 1 46 . 1 1 5 5 VAL CB C 13 32.677 0.400 . 1 . . . A 5 VAL CB . 18278 1 47 . 1 1 5 5 VAL CG1 C 13 20.944 0.400 . 2 . . . A 5 VAL CG1 . 18278 1 48 . 1 1 5 5 VAL CG2 C 13 21.029 0.400 . 2 . . . A 5 VAL CG2 . 18278 1 49 . 1 1 5 5 VAL N N 15 125.759 0.400 . 1 . . . A 5 VAL N . 18278 1 50 . 1 1 6 6 VAL H H 1 9.349 0.020 . 1 . . . A 6 VAL H . 18278 1 51 . 1 1 6 6 VAL HA H 1 4.273 0.020 . 1 . . . A 6 VAL HA . 18278 1 52 . 1 1 6 6 VAL HB H 1 2.054 0.020 . 1 . . . A 6 VAL HB . 18278 1 53 . 1 1 6 6 VAL HG11 H 1 0.840 0.020 . 2 . . . A 6 VAL HG11 . 18278 1 54 . 1 1 6 6 VAL HG12 H 1 0.840 0.020 . 2 . . . A 6 VAL HG12 . 18278 1 55 . 1 1 6 6 VAL HG13 H 1 0.840 0.020 . 2 . . . A 6 VAL HG13 . 18278 1 56 . 1 1 6 6 VAL HG21 H 1 0.841 0.020 . 2 . . . A 6 VAL HG21 . 18278 1 57 . 1 1 6 6 VAL HG22 H 1 0.841 0.020 . 2 . . . A 6 VAL HG22 . 18278 1 58 . 1 1 6 6 VAL HG23 H 1 0.841 0.020 . 2 . . . A 6 VAL HG23 . 18278 1 59 . 1 1 6 6 VAL C C 13 176.002 0.400 . 1 . . . A 6 VAL C . 18278 1 60 . 1 1 6 6 VAL CA C 13 61.318 0.400 . 1 . . . A 6 VAL CA . 18278 1 61 . 1 1 6 6 VAL CB C 13 33.570 0.400 . 1 . . . A 6 VAL CB . 18278 1 62 . 1 1 6 6 VAL CG1 C 13 20.321 0.400 . 2 . . . A 6 VAL CG1 . 18278 1 63 . 1 1 6 6 VAL CG2 C 13 19.867 0.400 . 2 . . . A 6 VAL CG2 . 18278 1 64 . 1 1 6 6 VAL N N 15 130.778 0.400 . 1 . . . A 6 VAL N . 18278 1 65 . 1 1 7 7 THR H H 1 8.977 0.020 . 1 . . . A 7 THR H . 18278 1 66 . 1 1 7 7 THR HA H 1 3.890 0.020 . 1 . . . A 7 THR HA . 18278 1 67 . 1 1 7 7 THR HB H 1 4.030 0.020 . 1 . . . A 7 THR HB . 18278 1 68 . 1 1 7 7 THR HG1 H 1 5.142 0.020 . 1 . . . A 7 THR HG1 . 18278 1 69 . 1 1 7 7 THR HG21 H 1 1.133 0.020 . 1 . . . A 7 THR HG21 . 18278 1 70 . 1 1 7 7 THR HG22 H 1 1.133 0.020 . 1 . . . A 7 THR HG22 . 18278 1 71 . 1 1 7 7 THR HG23 H 1 1.133 0.020 . 1 . . . A 7 THR HG23 . 18278 1 72 . 1 1 7 7 THR C C 13 173.670 0.400 . 1 . . . A 7 THR C . 18278 1 73 . 1 1 7 7 THR CA C 13 66.707 0.400 . 1 . . . A 7 THR CA . 18278 1 74 . 1 1 7 7 THR CB C 13 68.545 0.400 . 1 . . . A 7 THR CB . 18278 1 75 . 1 1 7 7 THR CG2 C 13 22.451 0.400 . 1 . . . A 7 THR CG2 . 18278 1 76 . 1 1 7 7 THR N N 15 125.637 0.400 . 1 . . . A 7 THR N . 18278 1 77 . 1 1 8 8 LEU H H 1 9.259 0.020 . 1 . . . A 8 LEU H . 18278 1 78 . 1 1 8 8 LEU HA H 1 4.442 0.020 . 1 . . . A 8 LEU HA . 18278 1 79 . 1 1 8 8 LEU HB2 H 1 1.492 0.020 . 2 . . . A 8 LEU HB2 . 18278 1 80 . 1 1 8 8 LEU HB3 H 1 1.265 0.020 . 2 . . . A 8 LEU HB3 . 18278 1 81 . 1 1 8 8 LEU HG H 1 1.628 0.020 . 1 . . . A 8 LEU HG . 18278 1 82 . 1 1 8 8 LEU HD11 H 1 0.737 0.020 . 2 . . . A 8 LEU HD11 . 18278 1 83 . 1 1 8 8 LEU HD12 H 1 0.737 0.020 . 2 . . . A 8 LEU HD12 . 18278 1 84 . 1 1 8 8 LEU HD13 H 1 0.737 0.020 . 2 . . . A 8 LEU HD13 . 18278 1 85 . 1 1 8 8 LEU HD21 H 1 0.747 0.020 . 2 . . . A 8 LEU HD21 . 18278 1 86 . 1 1 8 8 LEU HD22 H 1 0.747 0.020 . 2 . . . A 8 LEU HD22 . 18278 1 87 . 1 1 8 8 LEU HD23 H 1 0.747 0.020 . 2 . . . A 8 LEU HD23 . 18278 1 88 . 1 1 8 8 LEU C C 13 176.805 0.400 . 1 . . . A 8 LEU C . 18278 1 89 . 1 1 8 8 LEU CA C 13 55.675 0.400 . 1 . . . A 8 LEU CA . 18278 1 90 . 1 1 8 8 LEU CB C 13 42.962 0.400 . 1 . . . A 8 LEU CB . 18278 1 91 . 1 1 8 8 LEU CG C 13 27.413 0.400 . 1 . . . A 8 LEU CG . 18278 1 92 . 1 1 8 8 LEU CD1 C 13 25.444 0.400 . 2 . . . A 8 LEU CD1 . 18278 1 93 . 1 1 8 8 LEU CD2 C 13 22.457 0.400 . 2 . . . A 8 LEU CD2 . 18278 1 94 . 1 1 8 8 LEU N N 15 128.943 0.400 . 1 . . . A 8 LEU N . 18278 1 95 . 1 1 9 9 ALA H H 1 8.184 0.020 . 1 . . . A 9 ALA H . 18278 1 96 . 1 1 9 9 ALA HA H 1 4.464 0.020 . 1 . . . A 9 ALA HA . 18278 1 97 . 1 1 9 9 ALA HB1 H 1 1.346 0.020 . 1 . . . A 9 ALA HB1 . 18278 1 98 . 1 1 9 9 ALA HB2 H 1 1.346 0.020 . 1 . . . A 9 ALA HB2 . 18278 1 99 . 1 1 9 9 ALA HB3 H 1 1.346 0.020 . 1 . . . A 9 ALA HB3 . 18278 1 100 . 1 1 9 9 ALA C C 13 175.507 0.400 . 1 . . . A 9 ALA C . 18278 1 101 . 1 1 9 9 ALA CA C 13 52.146 0.400 . 1 . . . A 9 ALA CA . 18278 1 102 . 1 1 9 9 ALA CB C 13 21.689 0.400 . 1 . . . A 9 ALA CB . 18278 1 103 . 1 1 9 9 ALA N N 15 122.590 0.400 . 1 . . . A 9 ALA N . 18278 1 104 . 1 1 10 10 ALA H H 1 8.477 0.020 . 1 . . . A 10 ALA H . 18278 1 105 . 1 1 10 10 ALA HA H 1 4.087 0.020 . 1 . . . A 10 ALA HA . 18278 1 106 . 1 1 10 10 ALA HB1 H 1 1.380 0.020 . 1 . . . A 10 ALA HB1 . 18278 1 107 . 1 1 10 10 ALA HB2 H 1 1.380 0.020 . 1 . . . A 10 ALA HB2 . 18278 1 108 . 1 1 10 10 ALA HB3 H 1 1.380 0.020 . 1 . . . A 10 ALA HB3 . 18278 1 109 . 1 1 10 10 ALA C C 13 178.701 0.400 . 1 . . . A 10 ALA C . 18278 1 110 . 1 1 10 10 ALA CA C 13 53.174 0.400 . 1 . . . A 10 ALA CA . 18278 1 111 . 1 1 10 10 ALA CB C 13 19.651 0.400 . 1 . . . A 10 ALA CB . 18278 1 112 . 1 1 10 10 ALA N N 15 125.304 0.400 . 1 . . . A 10 ALA N . 18278 1 113 . 1 1 11 11 GLY H H 1 8.526 0.020 . 1 . . . A 11 GLY H . 18278 1 114 . 1 1 11 11 GLY HA2 H 1 4.082 0.020 . 2 . . . A 11 GLY HA2 . 18278 1 115 . 1 1 11 11 GLY HA3 H 1 3.473 0.020 . 2 . . . A 11 GLY HA3 . 18278 1 116 . 1 1 11 11 GLY C C 13 173.360 0.400 . 1 . . . A 11 GLY C . 18278 1 117 . 1 1 11 11 GLY CA C 13 44.119 0.400 . 1 . . . A 11 GLY CA . 18278 1 118 . 1 1 11 11 GLY N N 15 107.868 0.400 . 1 . . . A 11 GLY N . 18278 1 119 . 1 1 12 12 ASP H H 1 8.060 0.020 . 1 . . . A 12 ASP H . 18278 1 120 . 1 1 12 12 ASP HA H 1 4.164 0.020 . 1 . . . A 12 ASP HA . 18278 1 121 . 1 1 12 12 ASP HB2 H 1 2.920 0.020 . 2 . . . A 12 ASP HB2 . 18278 1 122 . 1 1 12 12 ASP HB3 H 1 2.611 0.020 . 2 . . . A 12 ASP HB3 . 18278 1 123 . 1 1 12 12 ASP C C 13 176.548 0.400 . 1 . . . A 12 ASP C . 18278 1 124 . 1 1 12 12 ASP CA C 13 54.410 0.400 . 1 . . . A 12 ASP CA . 18278 1 125 . 1 1 12 12 ASP CB C 13 39.421 0.400 . 1 . . . A 12 ASP CB . 18278 1 126 . 1 1 12 12 ASP N N 15 118.081 0.400 . 1 . . . A 12 ASP N . 18278 1 127 . 1 1 13 13 GLU H H 1 8.784 0.020 . 1 . . . A 13 GLU H . 18278 1 128 . 1 1 13 13 GLU HA H 1 3.486 0.020 . 1 . . . A 13 GLU HA . 18278 1 129 . 1 1 13 13 GLU HB2 H 1 2.176 0.020 . 2 . . . A 13 GLU HB2 . 18278 1 130 . 1 1 13 13 GLU HB3 H 1 1.976 0.020 . 2 . . . A 13 GLU HB3 . 18278 1 131 . 1 1 13 13 GLU HG2 H 1 2.159 0.020 . 2 . . . A 13 GLU HG2 . 18278 1 132 . 1 1 13 13 GLU HG3 H 1 1.964 0.020 . 2 . . . A 13 GLU HG3 . 18278 1 133 . 1 1 13 13 GLU C C 13 174.734 0.400 . 1 . . . A 13 GLU C . 18278 1 134 . 1 1 13 13 GLU CA C 13 57.388 0.400 . 1 . . . A 13 GLU CA . 18278 1 135 . 1 1 13 13 GLU CB C 13 27.352 0.400 . 1 . . . A 13 GLU CB . 18278 1 136 . 1 1 13 13 GLU CG C 13 37.367 0.400 . 1 . . . A 13 GLU CG . 18278 1 137 . 1 1 13 13 GLU N N 15 114.503 0.400 . 1 . . . A 13 GLU N . 18278 1 138 . 1 1 14 14 ALA H H 1 8.340 0.020 . 1 . . . A 14 ALA H . 18278 1 139 . 1 1 14 14 ALA HA H 1 4.618 0.020 . 1 . . . A 14 ALA HA . 18278 1 140 . 1 1 14 14 ALA HB1 H 1 1.166 0.020 . 1 . . . A 14 ALA HB1 . 18278 1 141 . 1 1 14 14 ALA HB2 H 1 1.166 0.020 . 1 . . . A 14 ALA HB2 . 18278 1 142 . 1 1 14 14 ALA HB3 H 1 1.166 0.020 . 1 . . . A 14 ALA HB3 . 18278 1 143 . 1 1 14 14 ALA C C 13 176.977 0.400 . 1 . . . A 14 ALA C . 18278 1 144 . 1 1 14 14 ALA CA C 13 53.482 0.400 . 1 . . . A 14 ALA CA . 18278 1 145 . 1 1 14 14 ALA CB C 13 22.408 0.400 . 1 . . . A 14 ALA CB . 18278 1 146 . 1 1 14 14 ALA N N 15 118.545 0.400 . 1 . . . A 14 ALA N . 18278 1 147 . 1 1 15 15 THR H H 1 10.136 0.020 . 1 . . . A 15 THR H . 18278 1 148 . 1 1 15 15 THR HA H 1 4.184 0.020 . 1 . . . A 15 THR HA . 18278 1 149 . 1 1 15 15 THR HB H 1 4.185 0.020 . 1 . . . A 15 THR HB . 18278 1 150 . 1 1 15 15 THR HG1 H 1 4.885 0.020 . 1 . . . A 15 THR HG1 . 18278 1 151 . 1 1 15 15 THR HG21 H 1 1.013 0.020 . 1 . . . A 15 THR HG21 . 18278 1 152 . 1 1 15 15 THR HG22 H 1 1.013 0.020 . 1 . . . A 15 THR HG22 . 18278 1 153 . 1 1 15 15 THR HG23 H 1 1.013 0.020 . 1 . . . A 15 THR HG23 . 18278 1 154 . 1 1 15 15 THR C C 13 172.263 0.400 . 1 . . . A 15 THR C . 18278 1 155 . 1 1 15 15 THR CA C 13 61.843 0.400 . 1 . . . A 15 THR CA . 18278 1 156 . 1 1 15 15 THR CB C 13 66.952 0.400 . 1 . . . A 15 THR CB . 18278 1 157 . 1 1 15 15 THR CG2 C 13 21.909 0.400 . 1 . . . A 15 THR CG2 . 18278 1 158 . 1 1 15 15 THR N N 15 122.747 0.400 . 1 . . . A 15 THR N . 18278 1 159 . 1 1 16 16 TYR H H 1 8.079 0.020 . 1 . . . A 16 TYR H . 18278 1 160 . 1 1 16 16 TYR HA H 1 5.264 0.020 . 1 . . . A 16 TYR HA . 18278 1 161 . 1 1 16 16 TYR HB2 H 1 2.861 0.020 . 2 . . . A 16 TYR HB2 . 18278 1 162 . 1 1 16 16 TYR HB3 H 1 2.485 0.020 . 2 . . . A 16 TYR HB3 . 18278 1 163 . 1 1 16 16 TYR HD1 H 1 6.801 0.020 . 3 . . . A 16 TYR HD1 . 18278 1 164 . 1 1 16 16 TYR HD2 H 1 6.801 0.020 . 3 . . . A 16 TYR HD2 . 18278 1 165 . 1 1 16 16 TYR HE1 H 1 6.432 0.020 . 3 . . . A 16 TYR HE1 . 18278 1 166 . 1 1 16 16 TYR HE2 H 1 6.432 0.020 . 3 . . . A 16 TYR HE2 . 18278 1 167 . 1 1 16 16 TYR C C 13 172.231 0.400 . 1 . . . A 16 TYR C . 18278 1 168 . 1 1 16 16 TYR CA C 13 53.957 0.400 . 1 . . . A 16 TYR CA . 18278 1 169 . 1 1 16 16 TYR CB C 13 39.263 0.400 . 1 . . . A 16 TYR CB . 18278 1 170 . 1 1 16 16 TYR CE1 C 13 117.445 0.400 . 3 . . . A 16 TYR CE1 . 18278 1 171 . 1 1 16 16 TYR N N 15 125.123 0.400 . 1 . . . A 16 TYR N . 18278 1 172 . 1 1 17 17 PRO HA H 1 4.342 0.020 . 1 . . . A 17 PRO HA . 18278 1 173 . 1 1 17 17 PRO HB2 H 1 1.676 0.020 . 2 . . . A 17 PRO HB2 . 18278 1 174 . 1 1 17 17 PRO HB3 H 1 1.789 0.020 . 2 . . . A 17 PRO HB3 . 18278 1 175 . 1 1 17 17 PRO HG2 H 1 2.044 0.020 . 2 . . . A 17 PRO HG2 . 18278 1 176 . 1 1 17 17 PRO HG3 H 1 1.581 0.020 . 2 . . . A 17 PRO HG3 . 18278 1 177 . 1 1 17 17 PRO HD2 H 1 4.136 0.020 . 2 . . . A 17 PRO HD2 . 18278 1 178 . 1 1 17 17 PRO HD3 H 1 3.947 0.020 . 2 . . . A 17 PRO HD3 . 18278 1 179 . 1 1 17 17 PRO C C 13 175.612 0.400 . 1 . . . A 17 PRO C . 18278 1 180 . 1 1 17 17 PRO CA C 13 62.666 0.400 . 1 . . . A 17 PRO CA . 18278 1 181 . 1 1 17 17 PRO CB C 13 31.510 0.400 . 1 . . . A 17 PRO CB . 18278 1 182 . 1 1 17 17 PRO CG C 13 28.000 0.400 . 1 . . . A 17 PRO CG . 18278 1 183 . 1 1 17 17 PRO CD C 13 51.017 0.400 . 1 . . . A 17 PRO CD . 18278 1 184 . 1 1 18 18 LYS H H 1 8.493 0.020 . 1 . . . A 18 LYS H . 18278 1 185 . 1 1 18 18 LYS HA H 1 4.395 0.020 . 1 . . . A 18 LYS HA . 18278 1 186 . 1 1 18 18 LYS HB2 H 1 1.784 0.020 . 2 . . . A 18 LYS HB2 . 18278 1 187 . 1 1 18 18 LYS HB3 H 1 1.465 0.020 . 2 . . . A 18 LYS HB3 . 18278 1 188 . 1 1 18 18 LYS HG2 H 1 1.459 0.020 . 2 . . . A 18 LYS HG2 . 18278 1 189 . 1 1 18 18 LYS HG3 H 1 1.394 0.020 . 2 . . . A 18 LYS HG3 . 18278 1 190 . 1 1 18 18 LYS HD2 H 1 1.624 0.020 . 2 . . . A 18 LYS HD2 . 18278 1 191 . 1 1 18 18 LYS HD3 H 1 1.624 0.020 . 2 . . . A 18 LYS HD3 . 18278 1 192 . 1 1 18 18 LYS HE2 H 1 2.946 0.020 . 2 . . . A 18 LYS HE2 . 18278 1 193 . 1 1 18 18 LYS HE3 H 1 2.946 0.020 . 2 . . . A 18 LYS HE3 . 18278 1 194 . 1 1 18 18 LYS C C 13 175.708 0.400 . 1 . . . A 18 LYS C . 18278 1 195 . 1 1 18 18 LYS CA C 13 53.655 0.400 . 1 . . . A 18 LYS CA . 18278 1 196 . 1 1 18 18 LYS CB C 13 34.005 0.400 . 1 . . . A 18 LYS CB . 18278 1 197 . 1 1 18 18 LYS CG C 13 24.868 0.400 . 1 . . . A 18 LYS CG . 18278 1 198 . 1 1 18 18 LYS CD C 13 28.866 0.400 . 1 . . . A 18 LYS CD . 18278 1 199 . 1 1 18 18 LYS CE C 13 42.151 0.400 . 1 . . . A 18 LYS CE . 18278 1 200 . 1 1 18 18 LYS N N 15 124.035 0.400 . 1 . . . A 18 LYS N . 18278 1 201 . 1 1 19 19 ALA H H 1 8.181 0.020 . 1 . . . A 19 ALA H . 18278 1 202 . 1 1 19 19 ALA HA H 1 3.825 0.020 . 1 . . . A 19 ALA HA . 18278 1 203 . 1 1 19 19 ALA HB1 H 1 1.295 0.020 . 1 . . . A 19 ALA HB1 . 18278 1 204 . 1 1 19 19 ALA HB2 H 1 1.295 0.020 . 1 . . . A 19 ALA HB2 . 18278 1 205 . 1 1 19 19 ALA HB3 H 1 1.295 0.020 . 1 . . . A 19 ALA HB3 . 18278 1 206 . 1 1 19 19 ALA C C 13 179.360 0.400 . 1 . . . A 19 ALA C . 18278 1 207 . 1 1 19 19 ALA CA C 13 53.439 0.400 . 1 . . . A 19 ALA CA . 18278 1 208 . 1 1 19 19 ALA CB C 13 17.655 0.400 . 1 . . . A 19 ALA CB . 18278 1 209 . 1 1 19 19 ALA N N 15 121.217 0.400 . 1 . . . A 19 ALA N . 18278 1 210 . 1 1 20 20 GLY H H 1 8.970 0.020 . 1 . . . A 20 GLY H . 18278 1 211 . 1 1 20 20 GLY HA2 H 1 4.297 0.020 . 2 . . . A 20 GLY HA2 . 18278 1 212 . 1 1 20 20 GLY HA3 H 1 3.212 0.020 . 2 . . . A 20 GLY HA3 . 18278 1 213 . 1 1 20 20 GLY CA C 13 45.132 0.400 . 1 . . . A 20 GLY CA . 18278 1 214 . 1 1 20 20 GLY N N 15 110.511 0.400 . 1 . . . A 20 GLY N . 18278 1 215 . 1 1 21 21 GLN H H 1 8.179 0.020 . 1 . . . A 21 GLN H . 18278 1 216 . 1 1 21 21 GLN HA H 1 4.502 0.020 . 1 . . . A 21 GLN HA . 18278 1 217 . 1 1 21 21 GLN HB2 H 1 2.117 0.020 . 2 . . . A 21 GLN HB2 . 18278 1 218 . 1 1 21 21 GLN HB3 H 1 1.895 0.020 . 2 . . . A 21 GLN HB3 . 18278 1 219 . 1 1 21 21 GLN HG2 H 1 2.202 0.020 . 2 . . . A 21 GLN HG2 . 18278 1 220 . 1 1 21 21 GLN HG3 H 1 2.128 0.020 . 2 . . . A 21 GLN HG3 . 18278 1 221 . 1 1 21 21 GLN HE21 H 1 6.428 0.020 . 2 . . . A 21 GLN HE21 . 18278 1 222 . 1 1 21 21 GLN HE22 H 1 7.503 0.020 . 2 . . . A 21 GLN HE22 . 18278 1 223 . 1 1 21 21 GLN C C 13 173.665 0.400 . 1 . . . A 21 GLN C . 18278 1 224 . 1 1 21 21 GLN CA C 13 55.680 0.400 . 1 . . . A 21 GLN CA . 18278 1 225 . 1 1 21 21 GLN CB C 13 30.357 0.400 . 1 . . . A 21 GLN CB . 18278 1 226 . 1 1 21 21 GLN CG C 13 35.780 0.400 . 1 . . . A 21 GLN CG . 18278 1 227 . 1 1 21 21 GLN N N 15 119.934 0.400 . 1 . . . A 21 GLN N . 18278 1 228 . 1 1 21 21 GLN NE2 N 15 110.870 0.400 . 1 . . . A 21 GLN NE2 . 18278 1 229 . 1 1 22 22 VAL H H 1 8.505 0.020 . 1 . . . A 22 VAL H . 18278 1 230 . 1 1 22 22 VAL HA H 1 4.321 0.020 . 1 . . . A 22 VAL HA . 18278 1 231 . 1 1 22 22 VAL HB H 1 1.726 0.020 . 1 . . . A 22 VAL HB . 18278 1 232 . 1 1 22 22 VAL HG11 H 1 0.741 0.020 . 2 . . . A 22 VAL HG11 . 18278 1 233 . 1 1 22 22 VAL HG12 H 1 0.741 0.020 . 2 . . . A 22 VAL HG12 . 18278 1 234 . 1 1 22 22 VAL HG13 H 1 0.741 0.020 . 2 . . . A 22 VAL HG13 . 18278 1 235 . 1 1 22 22 VAL HG21 H 1 0.477 0.020 . 2 . . . A 22 VAL HG21 . 18278 1 236 . 1 1 22 22 VAL HG22 H 1 0.477 0.020 . 2 . . . A 22 VAL HG22 . 18278 1 237 . 1 1 22 22 VAL HG23 H 1 0.477 0.020 . 2 . . . A 22 VAL HG23 . 18278 1 238 . 1 1 22 22 VAL C C 13 175.231 0.400 . 1 . . . A 22 VAL C . 18278 1 239 . 1 1 22 22 VAL CA C 13 61.564 0.400 . 1 . . . A 22 VAL CA . 18278 1 240 . 1 1 22 22 VAL CB C 13 32.961 0.400 . 1 . . . A 22 VAL CB . 18278 1 241 . 1 1 22 22 VAL CG1 C 13 21.551 0.400 . 2 . . . A 22 VAL CG1 . 18278 1 242 . 1 1 22 22 VAL CG2 C 13 21.252 0.400 . 2 . . . A 22 VAL CG2 . 18278 1 243 . 1 1 22 22 VAL N N 15 121.184 0.400 . 1 . . . A 22 VAL N . 18278 1 244 . 1 1 23 23 ALA H H 1 8.429 0.020 . 1 . . . A 23 ALA H . 18278 1 245 . 1 1 23 23 ALA HA H 1 4.407 0.020 . 1 . . . A 23 ALA HA . 18278 1 246 . 1 1 23 23 ALA HB1 H 1 0.462 0.020 . 1 . . . A 23 ALA HB1 . 18278 1 247 . 1 1 23 23 ALA HB2 H 1 0.462 0.020 . 1 . . . A 23 ALA HB2 . 18278 1 248 . 1 1 23 23 ALA HB3 H 1 0.462 0.020 . 1 . . . A 23 ALA HB3 . 18278 1 249 . 1 1 23 23 ALA C C 13 174.523 0.400 . 1 . . . A 23 ALA C . 18278 1 250 . 1 1 23 23 ALA CA C 13 50.295 0.400 . 1 . . . A 23 ALA CA . 18278 1 251 . 1 1 23 23 ALA CB C 13 20.451 0.400 . 1 . . . A 23 ALA CB . 18278 1 252 . 1 1 23 23 ALA N N 15 128.534 0.400 . 1 . . . A 23 ALA N . 18278 1 253 . 1 1 24 24 VAL H H 1 7.749 0.020 . 1 . . . A 24 VAL H . 18278 1 254 . 1 1 24 24 VAL HA H 1 4.630 0.020 . 1 . . . A 24 VAL HA . 18278 1 255 . 1 1 24 24 VAL HB H 1 1.841 0.020 . 1 . . . A 24 VAL HB . 18278 1 256 . 1 1 24 24 VAL HG11 H 1 0.635 0.020 . 2 . . . A 24 VAL HG11 . 18278 1 257 . 1 1 24 24 VAL HG12 H 1 0.635 0.020 . 2 . . . A 24 VAL HG12 . 18278 1 258 . 1 1 24 24 VAL HG13 H 1 0.635 0.020 . 2 . . . A 24 VAL HG13 . 18278 1 259 . 1 1 24 24 VAL HG21 H 1 0.569 0.020 . 2 . . . A 24 VAL HG21 . 18278 1 260 . 1 1 24 24 VAL HG22 H 1 0.569 0.020 . 2 . . . A 24 VAL HG22 . 18278 1 261 . 1 1 24 24 VAL HG23 H 1 0.569 0.020 . 2 . . . A 24 VAL HG23 . 18278 1 262 . 1 1 24 24 VAL C C 13 176.193 0.400 . 1 . . . A 24 VAL C . 18278 1 263 . 1 1 24 24 VAL CA C 13 61.229 0.400 . 1 . . . A 24 VAL CA . 18278 1 264 . 1 1 24 24 VAL CB C 13 31.649 0.400 . 1 . . . A 24 VAL CB . 18278 1 265 . 1 1 24 24 VAL CG1 C 13 21.361 0.400 . 2 . . . A 24 VAL CG1 . 18278 1 266 . 1 1 24 24 VAL CG2 C 13 20.198 0.400 . 2 . . . A 24 VAL CG2 . 18278 1 267 . 1 1 24 24 VAL N N 15 120.915 0.400 . 1 . . . A 24 VAL N . 18278 1 268 . 1 1 25 25 VAL H H 1 9.470 0.020 . 1 . . . A 25 VAL H . 18278 1 269 . 1 1 25 25 VAL HA H 1 5.753 0.020 . 1 . . . A 25 VAL HA . 18278 1 270 . 1 1 25 25 VAL HB H 1 2.202 0.020 . 1 . . . A 25 VAL HB . 18278 1 271 . 1 1 25 25 VAL HG11 H 1 0.800 0.020 . 2 . . . A 25 VAL HG11 . 18278 1 272 . 1 1 25 25 VAL HG12 H 1 0.800 0.020 . 2 . . . A 25 VAL HG12 . 18278 1 273 . 1 1 25 25 VAL HG13 H 1 0.800 0.020 . 2 . . . A 25 VAL HG13 . 18278 1 274 . 1 1 25 25 VAL HG21 H 1 1.050 0.020 . 2 . . . A 25 VAL HG21 . 18278 1 275 . 1 1 25 25 VAL HG22 H 1 1.050 0.020 . 2 . . . A 25 VAL HG22 . 18278 1 276 . 1 1 25 25 VAL HG23 H 1 1.050 0.020 . 2 . . . A 25 VAL HG23 . 18278 1 277 . 1 1 25 25 VAL C C 13 175.625 0.400 . 1 . . . A 25 VAL C . 18278 1 278 . 1 1 25 25 VAL CA C 13 58.022 0.400 . 1 . . . A 25 VAL CA . 18278 1 279 . 1 1 25 25 VAL CB C 13 35.799 0.400 . 1 . . . A 25 VAL CB . 18278 1 280 . 1 1 25 25 VAL CG1 C 13 21.918 0.400 . 2 . . . A 25 VAL CG1 . 18278 1 281 . 1 1 25 25 VAL CG2 C 13 19.687 0.400 . 2 . . . A 25 VAL CG2 . 18278 1 282 . 1 1 25 25 VAL N N 15 117.581 0.400 . 1 . . . A 25 VAL N . 18278 1 283 . 1 1 26 26 HIS H H 1 8.478 0.020 . 1 . . . A 26 HIS H . 18278 1 284 . 1 1 26 26 HIS HA H 1 5.708 0.020 . 1 . . . A 26 HIS HA . 18278 1 285 . 1 1 26 26 HIS HB2 H 1 2.768 0.020 . 2 . . . A 26 HIS HB2 . 18278 1 286 . 1 1 26 26 HIS HB3 H 1 2.673 0.020 . 2 . . . A 26 HIS HB3 . 18278 1 287 . 1 1 26 26 HIS HD2 H 1 6.902 0.020 . 1 . . . A 26 HIS HD2 . 18278 1 288 . 1 1 26 26 HIS HE1 H 1 7.029 0.020 . 1 . . . A 26 HIS HE1 . 18278 1 289 . 1 1 26 26 HIS C C 13 176.486 0.400 . 1 . . . A 26 HIS C . 18278 1 290 . 1 1 26 26 HIS CA C 13 54.616 0.400 . 1 . . . A 26 HIS CA . 18278 1 291 . 1 1 26 26 HIS CB C 13 35.532 0.400 . 1 . . . A 26 HIS CB . 18278 1 292 . 1 1 26 26 HIS N N 15 119.004 0.400 . 1 . . . A 26 HIS N . 18278 1 293 . 1 1 27 27 TYR H H 1 9.754 0.020 . 1 . . . A 27 TYR H . 18278 1 294 . 1 1 27 27 TYR HA H 1 6.388 0.020 . 1 . . . A 27 TYR HA . 18278 1 295 . 1 1 27 27 TYR HB2 H 1 2.807 0.020 . 2 . . . A 27 TYR HB2 . 18278 1 296 . 1 1 27 27 TYR HB3 H 1 2.739 0.020 . 2 . . . A 27 TYR HB3 . 18278 1 297 . 1 1 27 27 TYR HD1 H 1 6.868 0.020 . 3 . . . A 27 TYR HD1 . 18278 1 298 . 1 1 27 27 TYR HD2 H 1 6.868 0.020 . 3 . . . A 27 TYR HD2 . 18278 1 299 . 1 1 27 27 TYR HE1 H 1 6.542 0.020 . 3 . . . A 27 TYR HE1 . 18278 1 300 . 1 1 27 27 TYR HE2 H 1 6.542 0.020 . 3 . . . A 27 TYR HE2 . 18278 1 301 . 1 1 27 27 TYR C C 13 173.969 0.400 . 1 . . . A 27 TYR C . 18278 1 302 . 1 1 27 27 TYR CA C 13 56.104 0.400 . 1 . . . A 27 TYR CA . 18278 1 303 . 1 1 27 27 TYR CB C 13 44.070 0.400 . 1 . . . A 27 TYR CB . 18278 1 304 . 1 1 27 27 TYR CD2 C 13 133.153 0.400 . 3 . . . A 27 TYR CD2 . 18278 1 305 . 1 1 27 27 TYR CE2 C 13 117.824 0.400 . 3 . . . A 27 TYR CE2 . 18278 1 306 . 1 1 27 27 TYR N N 15 117.362 0.400 . 1 . . . A 27 TYR N . 18278 1 307 . 1 1 28 28 THR H H 1 8.456 0.020 . 1 . . . A 28 THR H . 18278 1 308 . 1 1 28 28 THR HA H 1 4.556 0.020 . 1 . . . A 28 THR HA . 18278 1 309 . 1 1 28 28 THR HB H 1 3.973 0.020 . 1 . . . A 28 THR HB . 18278 1 310 . 1 1 28 28 THR HG21 H 1 1.201 0.020 . 1 . . . A 28 THR HG21 . 18278 1 311 . 1 1 28 28 THR HG22 H 1 1.201 0.020 . 1 . . . A 28 THR HG22 . 18278 1 312 . 1 1 28 28 THR HG23 H 1 1.201 0.020 . 1 . . . A 28 THR HG23 . 18278 1 313 . 1 1 28 28 THR C C 13 173.615 0.400 . 1 . . . A 28 THR C . 18278 1 314 . 1 1 28 28 THR CA C 13 63.145 0.400 . 1 . . . A 28 THR CA . 18278 1 315 . 1 1 28 28 THR CB C 13 72.780 0.400 . 1 . . . A 28 THR CB . 18278 1 316 . 1 1 28 28 THR CG2 C 13 23.028 0.400 . 1 . . . A 28 THR CG2 . 18278 1 317 . 1 1 28 28 THR N N 15 116.185 0.400 . 1 . . . A 28 THR N . 18278 1 318 . 1 1 29 29 GLY H H 1 9.447 0.020 . 1 . . . A 29 GLY H . 18278 1 319 . 1 1 29 29 GLY HA2 H 1 4.691 0.020 . 2 . . . A 29 GLY HA2 . 18278 1 320 . 1 1 29 29 GLY HA3 H 1 2.441 0.020 . 2 . . . A 29 GLY HA3 . 18278 1 321 . 1 1 29 29 GLY C C 13 171.481 0.400 . 1 . . . A 29 GLY C . 18278 1 322 . 1 1 29 29 GLY CA C 13 45.730 0.400 . 1 . . . A 29 GLY CA . 18278 1 323 . 1 1 29 29 GLY N N 15 117.568 0.400 . 1 . . . A 29 GLY N . 18278 1 324 . 1 1 30 30 THR H H 1 9.227 0.020 . 1 . . . A 30 THR H . 18278 1 325 . 1 1 30 30 THR HA H 1 5.376 0.020 . 1 . . . A 30 THR HA . 18278 1 326 . 1 1 30 30 THR HB H 1 3.955 0.020 . 1 . . . A 30 THR HB . 18278 1 327 . 1 1 30 30 THR HG21 H 1 0.966 0.020 . 1 . . . A 30 THR HG21 . 18278 1 328 . 1 1 30 30 THR HG22 H 1 0.966 0.020 . 1 . . . A 30 THR HG22 . 18278 1 329 . 1 1 30 30 THR HG23 H 1 0.966 0.020 . 1 . . . A 30 THR HG23 . 18278 1 330 . 1 1 30 30 THR C C 13 175.178 0.400 . 1 . . . A 30 THR C . 18278 1 331 . 1 1 30 30 THR CA C 13 59.426 0.400 . 1 . . . A 30 THR CA . 18278 1 332 . 1 1 30 30 THR CB C 13 72.212 0.400 . 1 . . . A 30 THR CB . 18278 1 333 . 1 1 30 30 THR CG2 C 13 22.603 0.400 . 1 . . . A 30 THR CG2 . 18278 1 334 . 1 1 30 30 THR N N 15 117.374 0.400 . 1 . . . A 30 THR N . 18278 1 335 . 1 1 31 31 LEU H H 1 8.514 0.020 . 1 . . . A 31 LEU H . 18278 1 336 . 1 1 31 31 LEU HA H 1 4.649 0.020 . 1 . . . A 31 LEU HA . 18278 1 337 . 1 1 31 31 LEU HB2 H 1 2.211 0.020 . 2 . . . A 31 LEU HB2 . 18278 1 338 . 1 1 31 31 LEU HB3 H 1 1.762 0.020 . 2 . . . A 31 LEU HB3 . 18278 1 339 . 1 1 31 31 LEU HG H 1 1.832 0.020 . 1 . . . A 31 LEU HG . 18278 1 340 . 1 1 31 31 LEU HD11 H 1 0.984 0.020 . 2 . . . A 31 LEU HD11 . 18278 1 341 . 1 1 31 31 LEU HD12 H 1 0.984 0.020 . 2 . . . A 31 LEU HD12 . 18278 1 342 . 1 1 31 31 LEU HD13 H 1 0.984 0.020 . 2 . . . A 31 LEU HD13 . 18278 1 343 . 1 1 31 31 LEU HD21 H 1 0.719 0.020 . 2 . . . A 31 LEU HD21 . 18278 1 344 . 1 1 31 31 LEU HD22 H 1 0.719 0.020 . 2 . . . A 31 LEU HD22 . 18278 1 345 . 1 1 31 31 LEU HD23 H 1 0.719 0.020 . 2 . . . A 31 LEU HD23 . 18278 1 346 . 1 1 31 31 LEU C C 13 179.920 0.400 . 1 . . . A 31 LEU C . 18278 1 347 . 1 1 31 31 LEU CA C 13 53.810 0.400 . 1 . . . A 31 LEU CA . 18278 1 348 . 1 1 31 31 LEU CB C 13 42.899 0.400 . 1 . . . A 31 LEU CB . 18278 1 349 . 1 1 31 31 LEU CG C 13 27.904 0.400 . 1 . . . A 31 LEU CG . 18278 1 350 . 1 1 31 31 LEU CD1 C 13 25.980 0.400 . 2 . . . A 31 LEU CD1 . 18278 1 351 . 1 1 31 31 LEU CD2 C 13 23.889 0.400 . 2 . . . A 31 LEU CD2 . 18278 1 352 . 1 1 31 31 LEU N N 15 120.688 0.400 . 1 . . . A 31 LEU N . 18278 1 353 . 1 1 32 32 ALA H H 1 9.561 0.020 . 1 . . . A 32 ALA H . 18278 1 354 . 1 1 32 32 ALA HA H 1 4.070 0.020 . 1 . . . A 32 ALA HA . 18278 1 355 . 1 1 32 32 ALA HB1 H 1 1.435 0.020 . 1 . . . A 32 ALA HB1 . 18278 1 356 . 1 1 32 32 ALA HB2 H 1 1.435 0.020 . 1 . . . A 32 ALA HB2 . 18278 1 357 . 1 1 32 32 ALA HB3 H 1 1.435 0.020 . 1 . . . A 32 ALA HB3 . 18278 1 358 . 1 1 32 32 ALA C C 13 178.198 0.400 . 1 . . . A 32 ALA C . 18278 1 359 . 1 1 32 32 ALA CA C 13 55.131 0.400 . 1 . . . A 32 ALA CA . 18278 1 360 . 1 1 32 32 ALA CB C 13 18.443 0.400 . 1 . . . A 32 ALA CB . 18278 1 361 . 1 1 32 32 ALA N N 15 124.750 0.400 . 1 . . . A 32 ALA N . 18278 1 362 . 1 1 33 33 ASP H H 1 7.722 0.020 . 1 . . . A 33 ASP H . 18278 1 363 . 1 1 33 33 ASP HA H 1 4.406 0.020 . 1 . . . A 33 ASP HA . 18278 1 364 . 1 1 33 33 ASP HB2 H 1 2.955 0.020 . 2 . . . A 33 ASP HB2 . 18278 1 365 . 1 1 33 33 ASP HB3 H 1 2.502 0.020 . 2 . . . A 33 ASP HB3 . 18278 1 366 . 1 1 33 33 ASP C C 13 177.251 0.400 . 1 . . . A 33 ASP C . 18278 1 367 . 1 1 33 33 ASP CA C 13 53.385 0.400 . 1 . . . A 33 ASP CA . 18278 1 368 . 1 1 33 33 ASP CB C 13 40.030 0.400 . 1 . . . A 33 ASP CB . 18278 1 369 . 1 1 33 33 ASP N N 15 114.354 0.400 . 1 . . . A 33 ASP N . 18278 1 370 . 1 1 34 34 GLY H H 1 8.201 0.020 . 1 . . . A 34 GLY H . 18278 1 371 . 1 1 34 34 GLY HA2 H 1 4.270 0.020 . 2 . . . A 34 GLY HA2 . 18278 1 372 . 1 1 34 34 GLY HA3 H 1 3.499 0.020 . 2 . . . A 34 GLY HA3 . 18278 1 373 . 1 1 34 34 GLY C C 13 174.171 0.400 . 1 . . . A 34 GLY C . 18278 1 374 . 1 1 34 34 GLY CA C 13 44.757 0.400 . 1 . . . A 34 GLY CA . 18278 1 375 . 1 1 34 34 GLY N N 15 108.394 0.400 . 1 . . . A 34 GLY N . 18278 1 376 . 1 1 35 35 LYS H H 1 7.893 0.020 . 1 . . . A 35 LYS H . 18278 1 377 . 1 1 35 35 LYS HA H 1 4.052 0.020 . 1 . . . A 35 LYS HA . 18278 1 378 . 1 1 35 35 LYS HB2 H 1 1.882 0.020 . 2 . . . A 35 LYS HB2 . 18278 1 379 . 1 1 35 35 LYS HB3 H 1 1.732 0.020 . 2 . . . A 35 LYS HB3 . 18278 1 380 . 1 1 35 35 LYS HG2 H 1 1.367 0.020 . 2 . . . A 35 LYS HG2 . 18278 1 381 . 1 1 35 35 LYS HG3 H 1 1.232 0.020 . 2 . . . A 35 LYS HG3 . 18278 1 382 . 1 1 35 35 LYS HD2 H 1 1.679 0.020 . 2 . . . A 35 LYS HD2 . 18278 1 383 . 1 1 35 35 LYS HE2 H 1 2.920 0.020 . 2 . . . A 35 LYS HE2 . 18278 1 384 . 1 1 35 35 LYS HE3 H 1 2.920 0.020 . 2 . . . A 35 LYS HE3 . 18278 1 385 . 1 1 35 35 LYS C C 13 176.470 0.400 . 1 . . . A 35 LYS C . 18278 1 386 . 1 1 35 35 LYS CA C 13 57.317 0.400 . 1 . . . A 35 LYS CA . 18278 1 387 . 1 1 35 35 LYS CB C 13 32.867 0.400 . 1 . . . A 35 LYS CB . 18278 1 388 . 1 1 35 35 LYS CG C 13 25.138 0.400 . 1 . . . A 35 LYS CG . 18278 1 389 . 1 1 35 35 LYS CD C 13 29.024 0.400 . 1 . . . A 35 LYS CD . 18278 1 390 . 1 1 35 35 LYS N N 15 122.230 0.400 . 1 . . . A 35 LYS N . 18278 1 391 . 1 1 36 36 VAL H H 1 8.554 0.020 . 1 . . . A 36 VAL H . 18278 1 392 . 1 1 36 36 VAL HA H 1 4.348 0.020 . 1 . . . A 36 VAL HA . 18278 1 393 . 1 1 36 36 VAL HB H 1 1.903 0.020 . 1 . . . A 36 VAL HB . 18278 1 394 . 1 1 36 36 VAL HG11 H 1 0.885 0.020 . 2 . . . A 36 VAL HG11 . 18278 1 395 . 1 1 36 36 VAL HG12 H 1 0.885 0.020 . 2 . . . A 36 VAL HG12 . 18278 1 396 . 1 1 36 36 VAL HG13 H 1 0.885 0.020 . 2 . . . A 36 VAL HG13 . 18278 1 397 . 1 1 36 36 VAL HG21 H 1 0.752 0.020 . 2 . . . A 36 VAL HG21 . 18278 1 398 . 1 1 36 36 VAL HG22 H 1 0.752 0.020 . 2 . . . A 36 VAL HG22 . 18278 1 399 . 1 1 36 36 VAL HG23 H 1 0.752 0.020 . 2 . . . A 36 VAL HG23 . 18278 1 400 . 1 1 36 36 VAL C C 13 177.051 0.400 . 1 . . . A 36 VAL C . 18278 1 401 . 1 1 36 36 VAL CA C 13 62.220 0.400 . 1 . . . A 36 VAL CA . 18278 1 402 . 1 1 36 36 VAL CB C 13 32.428 0.400 . 1 . . . A 36 VAL CB . 18278 1 403 . 1 1 36 36 VAL CG1 C 13 21.597 0.400 . 2 . . . A 36 VAL CG1 . 18278 1 404 . 1 1 36 36 VAL CG2 C 13 21.263 0.400 . 2 . . . A 36 VAL CG2 . 18278 1 405 . 1 1 36 36 VAL N N 15 126.791 0.400 . 1 . . . A 36 VAL N . 18278 1 406 . 1 1 37 37 PHE H H 1 8.161 0.020 . 1 . . . A 37 PHE H . 18278 1 407 . 1 1 37 37 PHE HA H 1 5.012 0.020 . 1 . . . A 37 PHE HA . 18278 1 408 . 1 1 37 37 PHE HB2 H 1 3.230 0.020 . 2 . . . A 37 PHE HB2 . 18278 1 409 . 1 1 37 37 PHE HB3 H 1 2.568 0.020 . 2 . . . A 37 PHE HB3 . 18278 1 410 . 1 1 37 37 PHE HD1 H 1 6.945 0.020 . 3 . . . A 37 PHE HD1 . 18278 1 411 . 1 1 37 37 PHE HD2 H 1 6.945 0.020 . 3 . . . A 37 PHE HD2 . 18278 1 412 . 1 1 37 37 PHE HE1 H 1 7.220 0.020 . 3 . . . A 37 PHE HE1 . 18278 1 413 . 1 1 37 37 PHE HE2 H 1 7.220 0.020 . 3 . . . A 37 PHE HE2 . 18278 1 414 . 1 1 37 37 PHE C C 13 174.494 0.400 . 1 . . . A 37 PHE C . 18278 1 415 . 1 1 37 37 PHE CA C 13 56.066 0.400 . 1 . . . A 37 PHE CA . 18278 1 416 . 1 1 37 37 PHE CB C 13 40.607 0.400 . 1 . . . A 37 PHE CB . 18278 1 417 . 1 1 37 37 PHE CD1 C 13 130.498 0.400 . 3 . . . A 37 PHE CD1 . 18278 1 418 . 1 1 37 37 PHE CE1 C 13 131.021 0.400 . 3 . . . A 37 PHE CE1 . 18278 1 419 . 1 1 37 37 PHE N N 15 123.931 0.400 . 1 . . . A 37 PHE N . 18278 1 420 . 1 1 38 38 ASP H H 1 6.619 0.020 . 1 . . . A 38 ASP H . 18278 1 421 . 1 1 38 38 ASP HA H 1 4.724 0.020 . 1 . . . A 38 ASP HA . 18278 1 422 . 1 1 38 38 ASP HB2 H 1 3.285 0.020 . 2 . . . A 38 ASP HB2 . 18278 1 423 . 1 1 38 38 ASP HB3 H 1 2.163 0.020 . 2 . . . A 38 ASP HB3 . 18278 1 424 . 1 1 38 38 ASP C C 13 174.312 0.400 . 1 . . . A 38 ASP C . 18278 1 425 . 1 1 38 38 ASP CA C 13 54.803 0.400 . 1 . . . A 38 ASP CA . 18278 1 426 . 1 1 38 38 ASP CB C 13 44.024 0.400 . 1 . . . A 38 ASP CB . 18278 1 427 . 1 1 38 38 ASP N N 15 118.725 0.400 . 1 . . . A 38 ASP N . 18278 1 428 . 1 1 39 39 SER H H 1 8.027 0.020 . 1 . . . A 39 SER H . 18278 1 429 . 1 1 39 39 SER HA H 1 4.612 0.020 . 1 . . . A 39 SER HA . 18278 1 430 . 1 1 39 39 SER HB2 H 1 3.904 0.020 . 2 . . . A 39 SER HB2 . 18278 1 431 . 1 1 39 39 SER HB3 H 1 3.657 0.020 . 2 . . . A 39 SER HB3 . 18278 1 432 . 1 1 39 39 SER C C 13 174.710 0.400 . 1 . . . A 39 SER C . 18278 1 433 . 1 1 39 39 SER CA C 13 56.661 0.400 . 1 . . . A 39 SER CA . 18278 1 434 . 1 1 39 39 SER CB C 13 64.577 0.400 . 1 . . . A 39 SER CB . 18278 1 435 . 1 1 39 39 SER N N 15 118.390 0.400 . 1 . . . A 39 SER N . 18278 1 436 . 1 1 40 40 SER H H 1 8.106 0.020 . 1 . . . A 40 SER H . 18278 1 437 . 1 1 40 40 SER HA H 1 4.190 0.020 . 1 . . . A 40 SER HA . 18278 1 438 . 1 1 40 40 SER HB2 H 1 4.840 0.020 . 2 . . . A 40 SER HB2 . 18278 1 439 . 1 1 40 40 SER HB3 H 1 3.690 0.020 . 2 . . . A 40 SER HB3 . 18278 1 440 . 1 1 40 40 SER HG H 1 4.660 0.020 . 1 . . . A 40 SER HG . 18278 1 441 . 1 1 40 40 SER C C 13 176.725 0.400 . 1 . . . A 40 SER C . 18278 1 442 . 1 1 40 40 SER CA C 13 60.977 0.400 . 1 . . . A 40 SER CA . 18278 1 443 . 1 1 40 40 SER CB C 13 61.868 0.400 . 1 . . . A 40 SER CB . 18278 1 444 . 1 1 40 40 SER N N 15 123.658 0.400 . 1 . . . A 40 SER N . 18278 1 445 . 1 1 41 41 ARG H H 1 7.698 0.020 . 1 . . . A 41 ARG H . 18278 1 446 . 1 1 41 41 ARG HA H 1 3.540 0.020 . 1 . . . A 41 ARG HA . 18278 1 447 . 1 1 41 41 ARG HB2 H 1 1.438 0.020 . 2 . . . A 41 ARG HB2 . 18278 1 448 . 1 1 41 41 ARG HB3 H 1 1.372 0.020 . 2 . . . A 41 ARG HB3 . 18278 1 449 . 1 1 41 41 ARG HG2 H 1 1.176 0.020 . 2 . . . A 41 ARG HG2 . 18278 1 450 . 1 1 41 41 ARG HG3 H 1 0.704 0.020 . 2 . . . A 41 ARG HG3 . 18278 1 451 . 1 1 41 41 ARG HD2 H 1 2.715 0.020 . 2 . . . A 41 ARG HD2 . 18278 1 452 . 1 1 41 41 ARG HD3 H 1 2.715 0.020 . 2 . . . A 41 ARG HD3 . 18278 1 453 . 1 1 41 41 ARG C C 13 179.389 0.400 . 1 . . . A 41 ARG C . 18278 1 454 . 1 1 41 41 ARG CA C 13 59.159 0.400 . 1 . . . A 41 ARG CA . 18278 1 455 . 1 1 41 41 ARG CB C 13 29.044 0.400 . 1 . . . A 41 ARG CB . 18278 1 456 . 1 1 41 41 ARG CG C 13 28.814 0.400 . 1 . . . A 41 ARG CG . 18278 1 457 . 1 1 41 41 ARG CD C 13 42.909 0.400 . 1 . . . A 41 ARG CD . 18278 1 458 . 1 1 41 41 ARG N N 15 123.343 0.400 . 1 . . . A 41 ARG N . 18278 1 459 . 1 1 42 42 THR H H 1 7.216 0.020 . 1 . . . A 42 THR H . 18278 1 460 . 1 1 42 42 THR HA H 1 3.912 0.020 . 1 . . . A 42 THR HA . 18278 1 461 . 1 1 42 42 THR HB H 1 4.122 0.020 . 1 . . . A 42 THR HB . 18278 1 462 . 1 1 42 42 THR HG21 H 1 1.159 0.020 . 1 . . . A 42 THR HG21 . 18278 1 463 . 1 1 42 42 THR HG22 H 1 1.159 0.020 . 1 . . . A 42 THR HG22 . 18278 1 464 . 1 1 42 42 THR HG23 H 1 1.159 0.020 . 1 . . . A 42 THR HG23 . 18278 1 465 . 1 1 42 42 THR C C 13 175.726 0.400 . 1 . . . A 42 THR C . 18278 1 466 . 1 1 42 42 THR CA C 13 64.426 0.400 . 1 . . . A 42 THR CA . 18278 1 467 . 1 1 42 42 THR CB C 13 68.193 0.400 . 1 . . . A 42 THR CB . 18278 1 468 . 1 1 42 42 THR CG2 C 13 22.097 0.400 . 1 . . . A 42 THR CG2 . 18278 1 469 . 1 1 42 42 THR N N 15 111.923 0.400 . 1 . . . A 42 THR N . 18278 1 470 . 1 1 43 43 ARG H H 1 7.059 0.020 . 1 . . . A 43 ARG H . 18278 1 471 . 1 1 43 43 ARG HA H 1 4.323 0.020 . 1 . . . A 43 ARG HA . 18278 1 472 . 1 1 43 43 ARG HB2 H 1 2.032 0.020 . 2 . . . A 43 ARG HB2 . 18278 1 473 . 1 1 43 43 ARG HB3 H 1 1.961 0.020 . 2 . . . A 43 ARG HB3 . 18278 1 474 . 1 1 43 43 ARG HG2 H 1 1.784 0.020 . 2 . . . A 43 ARG HG2 . 18278 1 475 . 1 1 43 43 ARG HG3 H 1 1.649 0.020 . 2 . . . A 43 ARG HG3 . 18278 1 476 . 1 1 43 43 ARG HD2 H 1 3.409 0.020 . 2 . . . A 43 ARG HD2 . 18278 1 477 . 1 1 43 43 ARG HD3 H 1 3.236 0.020 . 2 . . . A 43 ARG HD3 . 18278 1 478 . 1 1 43 43 ARG C C 13 177.438 0.400 . 1 . . . A 43 ARG C . 18278 1 479 . 1 1 43 43 ARG CA C 13 57.424 0.400 . 1 . . . A 43 ARG CA . 18278 1 480 . 1 1 43 43 ARG CB C 13 31.451 0.400 . 1 . . . A 43 ARG CB . 18278 1 481 . 1 1 43 43 ARG CG C 13 28.756 0.400 . 1 . . . A 43 ARG CG . 18278 1 482 . 1 1 43 43 ARG CD C 13 43.612 0.400 . 1 . . . A 43 ARG CD . 18278 1 483 . 1 1 43 43 ARG N N 15 118.233 0.400 . 1 . . . A 43 ARG N . 18278 1 484 . 1 1 44 44 GLY H H 1 7.674 0.020 . 1 . . . A 44 GLY H . 18278 1 485 . 1 1 44 44 GLY HA2 H 1 4.130 0.020 . 2 . . . A 44 GLY HA2 . 18278 1 486 . 1 1 44 44 GLY HA3 H 1 3.746 0.020 . 2 . . . A 44 GLY HA3 . 18278 1 487 . 1 1 44 44 GLY C C 13 173.575 0.400 . 1 . . . A 44 GLY C . 18278 1 488 . 1 1 44 44 GLY CA C 13 45.915 0.400 . 1 . . . A 44 GLY CA . 18278 1 489 . 1 1 44 44 GLY N N 15 106.057 0.400 . 1 . . . A 44 GLY N . 18278 1 490 . 1 1 45 45 LYS H H 1 7.296 0.020 . 1 . . . A 45 LYS H . 18278 1 491 . 1 1 45 45 LYS HA H 1 4.926 0.020 . 1 . . . A 45 LYS HA . 18278 1 492 . 1 1 45 45 LYS HB2 H 1 1.826 0.020 . 2 . . . A 45 LYS HB2 . 18278 1 493 . 1 1 45 45 LYS HB3 H 1 1.664 0.020 . 2 . . . A 45 LYS HB3 . 18278 1 494 . 1 1 45 45 LYS HG2 H 1 1.427 0.020 . 2 . . . A 45 LYS HG2 . 18278 1 495 . 1 1 45 45 LYS HG3 H 1 1.427 0.020 . 2 . . . A 45 LYS HG3 . 18278 1 496 . 1 1 45 45 LYS HD2 H 1 2.008 0.020 . 2 . . . A 45 LYS HD2 . 18278 1 497 . 1 1 45 45 LYS HD3 H 1 2.008 0.020 . 2 . . . A 45 LYS HD3 . 18278 1 498 . 1 1 45 45 LYS HE2 H 1 3.235 0.020 . 2 . . . A 45 LYS HE2 . 18278 1 499 . 1 1 45 45 LYS HE3 H 1 3.235 0.020 . 2 . . . A 45 LYS HE3 . 18278 1 500 . 1 1 45 45 LYS C C 13 172.669 0.400 . 1 . . . A 45 LYS C . 18278 1 501 . 1 1 45 45 LYS CA C 13 53.059 0.400 . 1 . . . A 45 LYS CA . 18278 1 502 . 1 1 45 45 LYS CB C 13 34.860 0.400 . 1 . . . A 45 LYS CB . 18278 1 503 . 1 1 45 45 LYS CG C 13 24.239 0.400 . 1 . . . A 45 LYS CG . 18278 1 504 . 1 1 45 45 LYS N N 15 118.236 0.400 . 1 . . . A 45 LYS N . 18278 1 505 . 1 1 46 46 PRO HA H 1 3.915 0.020 . 1 . . . A 46 PRO HA . 18278 1 506 . 1 1 46 46 PRO HB2 H 1 1.190 0.020 . 2 . . . A 46 PRO HB2 . 18278 1 507 . 1 1 46 46 PRO HB3 H 1 1.392 0.020 . 2 . . . A 46 PRO HB3 . 18278 1 508 . 1 1 46 46 PRO HG2 H 1 1.604 0.020 . 2 . . . A 46 PRO HG2 . 18278 1 509 . 1 1 46 46 PRO HG3 H 1 1.343 0.020 . 2 . . . A 46 PRO HG3 . 18278 1 510 . 1 1 46 46 PRO HD2 H 1 3.617 0.020 . 2 . . . A 46 PRO HD2 . 18278 1 511 . 1 1 46 46 PRO HD3 H 1 3.580 0.020 . 2 . . . A 46 PRO HD3 . 18278 1 512 . 1 1 46 46 PRO C C 13 174.215 0.400 . 1 . . . A 46 PRO C . 18278 1 513 . 1 1 46 46 PRO CA C 13 62.586 0.400 . 1 . . . A 46 PRO CA . 18278 1 514 . 1 1 46 46 PRO CB C 13 32.569 0.400 . 1 . . . A 46 PRO CB . 18278 1 515 . 1 1 46 46 PRO CG C 13 26.656 0.400 . 1 . . . A 46 PRO CG . 18278 1 516 . 1 1 46 46 PRO CD C 13 50.582 0.400 . 1 . . . A 46 PRO CD . 18278 1 517 . 1 1 47 47 PHE H H 1 9.201 0.020 . 1 . . . A 47 PHE H . 18278 1 518 . 1 1 47 47 PHE HA H 1 4.851 0.020 . 1 . . . A 47 PHE HA . 18278 1 519 . 1 1 47 47 PHE HB2 H 1 3.458 0.020 . 2 . . . A 47 PHE HB2 . 18278 1 520 . 1 1 47 47 PHE HB3 H 1 3.167 0.020 . 2 . . . A 47 PHE HB3 . 18278 1 521 . 1 1 47 47 PHE HD1 H 1 7.285 0.020 . 3 . . . A 47 PHE HD1 . 18278 1 522 . 1 1 47 47 PHE HD2 H 1 7.285 0.020 . 3 . . . A 47 PHE HD2 . 18278 1 523 . 1 1 47 47 PHE C C 13 172.892 0.400 . 1 . . . A 47 PHE C . 18278 1 524 . 1 1 47 47 PHE CA C 13 56.991 0.400 . 1 . . . A 47 PHE CA . 18278 1 525 . 1 1 47 47 PHE CB C 13 43.021 0.400 . 1 . . . A 47 PHE CB . 18278 1 526 . 1 1 47 47 PHE N N 15 123.712 0.400 . 1 . . . A 47 PHE N . 18278 1 527 . 1 1 48 48 ARG H H 1 7.440 0.020 . 1 . . . A 48 ARG H . 18278 1 528 . 1 1 48 48 ARG HA H 1 5.456 0.020 . 1 . . . A 48 ARG HA . 18278 1 529 . 1 1 48 48 ARG HB2 H 1 1.372 0.020 . 2 . . . A 48 ARG HB2 . 18278 1 530 . 1 1 48 48 ARG HB3 H 1 1.341 0.020 . 2 . . . A 48 ARG HB3 . 18278 1 531 . 1 1 48 48 ARG HG2 H 1 1.377 0.020 . 2 . . . A 48 ARG HG2 . 18278 1 532 . 1 1 48 48 ARG HG3 H 1 1.279 0.020 . 2 . . . A 48 ARG HG3 . 18278 1 533 . 1 1 48 48 ARG HD2 H 1 3.057 0.020 . 2 . . . A 48 ARG HD2 . 18278 1 534 . 1 1 48 48 ARG HD3 H 1 2.927 0.020 . 2 . . . A 48 ARG HD3 . 18278 1 535 . 1 1 48 48 ARG C C 13 174.532 0.400 . 1 . . . A 48 ARG C . 18278 1 536 . 1 1 48 48 ARG CA C 13 53.663 0.400 . 1 . . . A 48 ARG CA . 18278 1 537 . 1 1 48 48 ARG CB C 13 33.693 0.400 . 1 . . . A 48 ARG CB . 18278 1 538 . 1 1 48 48 ARG CG C 13 27.715 0.400 . 1 . . . A 48 ARG CG . 18278 1 539 . 1 1 48 48 ARG CD C 13 43.217 0.400 . 1 . . . A 48 ARG CD . 18278 1 540 . 1 1 48 48 ARG N N 15 125.619 0.400 . 1 . . . A 48 ARG N . 18278 1 541 . 1 1 49 49 PHE H H 1 8.304 0.020 . 1 . . . A 49 PHE H . 18278 1 542 . 1 1 49 49 PHE HA H 1 4.659 0.020 . 1 . . . A 49 PHE HA . 18278 1 543 . 1 1 49 49 PHE HB2 H 1 2.937 0.020 . 2 . . . A 49 PHE HB2 . 18278 1 544 . 1 1 49 49 PHE HB3 H 1 2.920 0.020 . 2 . . . A 49 PHE HB3 . 18278 1 545 . 1 1 49 49 PHE HD1 H 1 6.978 0.020 . 3 . . . A 49 PHE HD1 . 18278 1 546 . 1 1 49 49 PHE HD2 H 1 6.978 0.020 . 3 . . . A 49 PHE HD2 . 18278 1 547 . 1 1 49 49 PHE HE1 H 1 7.143 0.020 . 3 . . . A 49 PHE HE1 . 18278 1 548 . 1 1 49 49 PHE HE2 H 1 7.143 0.020 . 3 . . . A 49 PHE HE2 . 18278 1 549 . 1 1 49 49 PHE HZ H 1 6.853 0.020 . 1 . . . A 49 PHE HZ . 18278 1 550 . 1 1 49 49 PHE C C 13 171.727 0.400 . 1 . . . A 49 PHE C . 18278 1 551 . 1 1 49 49 PHE CA C 13 55.946 0.400 . 1 . . . A 49 PHE CA . 18278 1 552 . 1 1 49 49 PHE CB C 13 41.513 0.400 . 1 . . . A 49 PHE CB . 18278 1 553 . 1 1 49 49 PHE CE2 C 13 130.948 0.400 . 3 . . . A 49 PHE CE2 . 18278 1 554 . 1 1 49 49 PHE CZ C 13 127.992 0.400 . 1 . . . A 49 PHE CZ . 18278 1 555 . 1 1 49 49 PHE N N 15 117.234 0.400 . 1 . . . A 49 PHE N . 18278 1 556 . 1 1 50 50 THR H H 1 8.734 0.020 . 1 . . . A 50 THR H . 18278 1 557 . 1 1 50 50 THR HA H 1 4.334 0.020 . 1 . . . A 50 THR HA . 18278 1 558 . 1 1 50 50 THR HB H 1 3.811 0.020 . 1 . . . A 50 THR HB . 18278 1 559 . 1 1 50 50 THR HG21 H 1 0.881 0.020 . 1 . . . A 50 THR HG21 . 18278 1 560 . 1 1 50 50 THR HG22 H 1 0.881 0.020 . 1 . . . A 50 THR HG22 . 18278 1 561 . 1 1 50 50 THR HG23 H 1 0.881 0.020 . 1 . . . A 50 THR HG23 . 18278 1 562 . 1 1 50 50 THR C C 13 174.289 0.400 . 1 . . . A 50 THR C . 18278 1 563 . 1 1 50 50 THR CA C 13 62.216 0.400 . 1 . . . A 50 THR CA . 18278 1 564 . 1 1 50 50 THR CB C 13 67.757 0.400 . 1 . . . A 50 THR CB . 18278 1 565 . 1 1 50 50 THR CG2 C 13 21.866 0.400 . 1 . . . A 50 THR CG2 . 18278 1 566 . 1 1 50 50 THR N N 15 119.365 0.400 . 1 . . . A 50 THR N . 18278 1 567 . 1 1 51 51 VAL H H 1 8.907 0.020 . 1 . . . A 51 VAL H . 18278 1 568 . 1 1 51 51 VAL HA H 1 3.708 0.020 . 1 . . . A 51 VAL HA . 18278 1 569 . 1 1 51 51 VAL HB H 1 1.971 0.020 . 1 . . . A 51 VAL HB . 18278 1 570 . 1 1 51 51 VAL HG11 H 1 0.618 0.020 . 2 . . . A 51 VAL HG11 . 18278 1 571 . 1 1 51 51 VAL HG12 H 1 0.618 0.020 . 2 . . . A 51 VAL HG12 . 18278 1 572 . 1 1 51 51 VAL HG13 H 1 0.618 0.020 . 2 . . . A 51 VAL HG13 . 18278 1 573 . 1 1 51 51 VAL HG21 H 1 0.779 0.020 . 2 . . . A 51 VAL HG21 . 18278 1 574 . 1 1 51 51 VAL HG22 H 1 0.779 0.020 . 2 . . . A 51 VAL HG22 . 18278 1 575 . 1 1 51 51 VAL HG23 H 1 0.779 0.020 . 2 . . . A 51 VAL HG23 . 18278 1 576 . 1 1 51 51 VAL C C 13 177.542 0.400 . 1 . . . A 51 VAL C . 18278 1 577 . 1 1 51 51 VAL CA C 13 64.419 0.400 . 1 . . . A 51 VAL CA . 18278 1 578 . 1 1 51 51 VAL CB C 13 31.663 0.400 . 1 . . . A 51 VAL CB . 18278 1 579 . 1 1 51 51 VAL CG1 C 13 23.150 0.400 . 2 . . . A 51 VAL CG1 . 18278 1 580 . 1 1 51 51 VAL CG2 C 13 20.826 0.400 . 2 . . . A 51 VAL CG2 . 18278 1 581 . 1 1 51 51 VAL N N 15 130.756 0.400 . 1 . . . A 51 VAL N . 18278 1 582 . 1 1 52 52 GLY H H 1 9.582 0.400 . 1 . . . A 52 GLY H . 18278 1 583 . 1 1 52 52 GLY HA2 H 1 3.986 0.020 . 2 . . . A 52 GLY HA2 . 18278 1 584 . 1 1 52 52 GLY HA3 H 1 3.742 0.020 . 2 . . . A 52 GLY HA3 . 18278 1 585 . 1 1 52 52 GLY C C 13 175.147 0.400 . 1 . . . A 52 GLY C . 18278 1 586 . 1 1 52 52 GLY CA C 13 46.250 0.400 . 1 . . . A 52 GLY CA . 18278 1 587 . 1 1 52 52 GLY N N 15 116.129 0.400 . 1 . . . A 52 GLY N . 18278 1 588 . 1 1 53 53 ARG H H 1 7.971 0.020 . 1 . . . A 53 ARG H . 18278 1 589 . 1 1 53 53 ARG HA H 1 4.619 0.020 . 1 . . . A 53 ARG HA . 18278 1 590 . 1 1 53 53 ARG HB2 H 1 2.065 0.020 . 2 . . . A 53 ARG HB2 . 18278 1 591 . 1 1 53 53 ARG HB3 H 1 1.609 0.020 . 2 . . . A 53 ARG HB3 . 18278 1 592 . 1 1 53 53 ARG HG2 H 1 1.575 0.020 . 2 . . . A 53 ARG HG2 . 18278 1 593 . 1 1 53 53 ARG HG3 H 1 1.417 0.020 . 2 . . . A 53 ARG HG3 . 18278 1 594 . 1 1 53 53 ARG HD2 H 1 3.176 0.020 . 2 . . . A 53 ARG HD2 . 18278 1 595 . 1 1 53 53 ARG HD3 H 1 3.083 0.020 . 2 . . . A 53 ARG HD3 . 18278 1 596 . 1 1 53 53 ARG C C 13 176.286 0.400 . 1 . . . A 53 ARG C . 18278 1 597 . 1 1 53 53 ARG CA C 13 54.222 0.400 . 1 . . . A 53 ARG CA . 18278 1 598 . 1 1 53 53 ARG CB C 13 31.656 0.400 . 1 . . . A 53 ARG CB . 18278 1 599 . 1 1 53 53 ARG CG C 13 27.160 0.400 . 1 . . . A 53 ARG CG . 18278 1 600 . 1 1 53 53 ARG CD C 13 42.997 0.400 . 1 . . . A 53 ARG CD . 18278 1 601 . 1 1 53 53 ARG N N 15 117.920 0.400 . 1 . . . A 53 ARG N . 18278 1 602 . 1 1 54 54 GLY H H 1 8.908 0.020 . 1 . . . A 54 GLY H . 18278 1 603 . 1 1 54 54 GLY HA2 H 1 3.944 0.020 . 2 . . . A 54 GLY HA2 . 18278 1 604 . 1 1 54 54 GLY HA3 H 1 3.944 0.020 . 2 . . . A 54 GLY HA3 . 18278 1 605 . 1 1 54 54 GLY C C 13 175.719 0.400 . 1 . . . A 54 GLY C . 18278 1 606 . 1 1 54 54 GLY CA C 13 46.711 0.400 . 1 . . . A 54 GLY CA . 18278 1 607 . 1 1 54 54 GLY N N 15 112.121 0.400 . 1 . . . A 54 GLY N . 18278 1 608 . 1 1 55 55 GLU H H 1 9.254 0.020 . 1 . . . A 55 GLU H . 18278 1 609 . 1 1 55 55 GLU HA H 1 4.110 0.020 . 1 . . . A 55 GLU HA . 18278 1 610 . 1 1 55 55 GLU HB2 H 1 2.157 0.020 . 2 . . . A 55 GLU HB2 . 18278 1 611 . 1 1 55 55 GLU HB3 H 1 2.110 0.020 . 2 . . . A 55 GLU HB3 . 18278 1 612 . 1 1 55 55 GLU HG2 H 1 2.258 0.020 . 2 . . . A 55 GLU HG2 . 18278 1 613 . 1 1 55 55 GLU HG3 H 1 2.258 0.020 . 2 . . . A 55 GLU HG3 . 18278 1 614 . 1 1 55 55 GLU C C 13 175.466 0.400 . 1 . . . A 55 GLU C . 18278 1 615 . 1 1 55 55 GLU CA C 13 57.513 0.400 . 1 . . . A 55 GLU CA . 18278 1 616 . 1 1 55 55 GLU CB C 13 30.838 0.400 . 1 . . . A 55 GLU CB . 18278 1 617 . 1 1 55 55 GLU CG C 13 36.886 0.400 . 1 . . . A 55 GLU CG . 18278 1 618 . 1 1 55 55 GLU N N 15 119.450 0.400 . 1 . . . A 55 GLU N . 18278 1 619 . 1 1 56 56 VAL H H 1 6.826 0.020 . 1 . . . A 56 VAL H . 18278 1 620 . 1 1 56 56 VAL HA H 1 4.179 0.020 . 1 . . . A 56 VAL HA . 18278 1 621 . 1 1 56 56 VAL HB H 1 1.396 0.020 . 1 . . . A 56 VAL HB . 18278 1 622 . 1 1 56 56 VAL HG11 H 1 0.118 0.020 . 2 . . . A 56 VAL HG11 . 18278 1 623 . 1 1 56 56 VAL HG12 H 1 0.118 0.020 . 2 . . . A 56 VAL HG12 . 18278 1 624 . 1 1 56 56 VAL HG13 H 1 0.118 0.020 . 2 . . . A 56 VAL HG13 . 18278 1 625 . 1 1 56 56 VAL HG21 H 1 0.231 0.020 . 2 . . . A 56 VAL HG21 . 18278 1 626 . 1 1 56 56 VAL HG22 H 1 0.231 0.020 . 2 . . . A 56 VAL HG22 . 18278 1 627 . 1 1 56 56 VAL HG23 H 1 0.231 0.020 . 2 . . . A 56 VAL HG23 . 18278 1 628 . 1 1 56 56 VAL C C 13 175.156 0.400 . 1 . . . A 56 VAL C . 18278 1 629 . 1 1 56 56 VAL CA C 13 57.578 0.400 . 1 . . . A 56 VAL CA . 18278 1 630 . 1 1 56 56 VAL CB C 13 35.813 0.400 . 1 . . . A 56 VAL CB . 18278 1 631 . 1 1 56 56 VAL CG1 C 13 21.854 0.400 . 2 . . . A 56 VAL CG1 . 18278 1 632 . 1 1 56 56 VAL CG2 C 13 18.936 0.400 . 2 . . . A 56 VAL CG2 . 18278 1 633 . 1 1 56 56 VAL N N 15 108.923 0.400 . 1 . . . A 56 VAL N . 18278 1 634 . 1 1 57 57 ILE H H 1 7.224 0.020 . 1 . . . A 57 ILE H . 18278 1 635 . 1 1 57 57 ILE HA H 1 3.800 0.020 . 1 . . . A 57 ILE HA . 18278 1 636 . 1 1 57 57 ILE HB H 1 2.002 0.020 . 1 . . . A 57 ILE HB . 18278 1 637 . 1 1 57 57 ILE HG12 H 1 0.942 0.020 . 2 . . . A 57 ILE HG12 . 18278 1 638 . 1 1 57 57 ILE HG13 H 1 0.450 0.020 . 2 . . . A 57 ILE HG13 . 18278 1 639 . 1 1 57 57 ILE HG21 H 1 0.090 0.020 . 1 . . . A 57 ILE HG21 . 18278 1 640 . 1 1 57 57 ILE HG22 H 1 0.090 0.020 . 1 . . . A 57 ILE HG22 . 18278 1 641 . 1 1 57 57 ILE HG23 H 1 0.090 0.020 . 1 . . . A 57 ILE HG23 . 18278 1 642 . 1 1 57 57 ILE HD11 H 1 0.707 0.020 . 1 . . . A 57 ILE HD11 . 18278 1 643 . 1 1 57 57 ILE HD12 H 1 0.707 0.020 . 1 . . . A 57 ILE HD12 . 18278 1 644 . 1 1 57 57 ILE HD13 H 1 0.707 0.020 . 1 . . . A 57 ILE HD13 . 18278 1 645 . 1 1 57 57 ILE C C 13 177.148 0.400 . 1 . . . A 57 ILE C . 18278 1 646 . 1 1 57 57 ILE CA C 13 61.852 0.400 . 1 . . . A 57 ILE CA . 18278 1 647 . 1 1 57 57 ILE CB C 13 38.236 0.400 . 1 . . . A 57 ILE CB . 18278 1 648 . 1 1 57 57 ILE CG1 C 13 25.214 0.400 . 1 . . . A 57 ILE CG1 . 18278 1 649 . 1 1 57 57 ILE CG2 C 13 17.514 0.400 . 1 . . . A 57 ILE CG2 . 18278 1 650 . 1 1 57 57 ILE CD1 C 13 14.407 0.400 . 1 . . . A 57 ILE CD1 . 18278 1 651 . 1 1 57 57 ILE N N 15 111.592 0.400 . 1 . . . A 57 ILE N . 18278 1 652 . 1 1 58 58 ARG H H 1 8.722 0.020 . 1 . . . A 58 ARG H . 18278 1 653 . 1 1 58 58 ARG HA H 1 4.074 0.020 . 1 . . . A 58 ARG HA . 18278 1 654 . 1 1 58 58 ARG HB2 H 1 1.673 0.020 . 2 . . . A 58 ARG HB2 . 18278 1 655 . 1 1 58 58 ARG HB3 H 1 1.283 0.020 . 2 . . . A 58 ARG HB3 . 18278 1 656 . 1 1 58 58 ARG HG2 H 1 1.580 0.020 . 2 . . . A 58 ARG HG2 . 18278 1 657 . 1 1 58 58 ARG HG3 H 1 1.194 0.020 . 2 . . . A 58 ARG HG3 . 18278 1 658 . 1 1 58 58 ARG HD2 H 1 2.820 0.020 . 2 . . . A 58 ARG HD2 . 18278 1 659 . 1 1 58 58 ARG HD3 H 1 2.266 0.020 . 2 . . . A 58 ARG HD3 . 18278 1 660 . 1 1 58 58 ARG C C 13 178.934 0.400 . 1 . . . A 58 ARG C . 18278 1 661 . 1 1 58 58 ARG CA C 13 59.827 0.400 . 1 . . . A 58 ARG CA . 18278 1 662 . 1 1 58 58 ARG CB C 13 30.907 0.400 . 1 . . . A 58 ARG CB . 18278 1 663 . 1 1 58 58 ARG CG C 13 27.118 0.400 . 1 . . . A 58 ARG CG . 18278 1 664 . 1 1 58 58 ARG CD C 13 43.426 0.400 . 1 . . . A 58 ARG CD . 18278 1 665 . 1 1 58 58 ARG N N 15 124.810 0.400 . 1 . . . A 58 ARG N . 18278 1 666 . 1 1 59 59 GLY H H 1 9.330 0.020 . 1 . . . A 59 GLY H . 18278 1 667 . 1 1 59 59 GLY HA2 H 1 4.094 0.020 . 2 . . . A 59 GLY HA2 . 18278 1 668 . 1 1 59 59 GLY HA3 H 1 3.903 0.020 . 2 . . . A 59 GLY HA3 . 18278 1 669 . 1 1 59 59 GLY C C 13 175.368 0.400 . 1 . . . A 59 GLY C . 18278 1 670 . 1 1 59 59 GLY CA C 13 47.926 0.400 . 1 . . . A 59 GLY CA . 18278 1 671 . 1 1 59 59 GLY N N 15 101.886 0.400 . 1 . . . A 59 GLY N . 18278 1 672 . 1 1 60 60 TRP H H 1 7.419 0.020 . 1 . . . A 60 TRP H . 18278 1 673 . 1 1 60 60 TRP HA H 1 4.329 0.020 . 1 . . . A 60 TRP HA . 18278 1 674 . 1 1 60 60 TRP HB2 H 1 2.801 0.020 . 2 . . . A 60 TRP HB2 . 18278 1 675 . 1 1 60 60 TRP HB3 H 1 2.654 0.020 . 2 . . . A 60 TRP HB3 . 18278 1 676 . 1 1 60 60 TRP HD1 H 1 6.242 0.020 . 1 . . . A 60 TRP HD1 . 18278 1 677 . 1 1 60 60 TRP HE1 H 1 5.490 0.020 . 1 . . . A 60 TRP HE1 . 18278 1 678 . 1 1 60 60 TRP HE3 H 1 6.392 0.020 . 1 . . . A 60 TRP HE3 . 18278 1 679 . 1 1 60 60 TRP HZ2 H 1 5.998 0.020 . 1 . . . A 60 TRP HZ2 . 18278 1 680 . 1 1 60 60 TRP HH2 H 1 5.441 0.020 . 1 . . . A 60 TRP HH2 . 18278 1 681 . 1 1 60 60 TRP C C 13 177.247 0.400 . 1 . . . A 60 TRP C . 18278 1 682 . 1 1 60 60 TRP CA C 13 59.463 0.400 . 1 . . . A 60 TRP CA . 18278 1 683 . 1 1 60 60 TRP CB C 13 29.228 0.400 . 1 . . . A 60 TRP CB . 18278 1 684 . 1 1 60 60 TRP CZ2 C 13 112.073 0.400 . 1 . . . A 60 TRP CZ2 . 18278 1 685 . 1 1 60 60 TRP N N 15 119.582 0.400 . 1 . . . A 60 TRP N . 18278 1 686 . 1 1 60 60 TRP NE1 N 15 118.591 0.400 . 1 . . . A 60 TRP NE1 . 18278 1 687 . 1 1 61 61 ASP H H 1 7.361 0.020 . 1 . . . A 61 ASP H . 18278 1 688 . 1 1 61 61 ASP HA H 1 4.727 0.020 . 1 . . . A 61 ASP HA . 18278 1 689 . 1 1 61 61 ASP HB2 H 1 2.685 0.020 . 2 . . . A 61 ASP HB2 . 18278 1 690 . 1 1 61 61 ASP HB3 H 1 2.559 0.020 . 2 . . . A 61 ASP HB3 . 18278 1 691 . 1 1 61 61 ASP C C 13 178.796 0.400 . 1 . . . A 61 ASP C . 18278 1 692 . 1 1 61 61 ASP CA C 13 58.373 0.400 . 1 . . . A 61 ASP CA . 18278 1 693 . 1 1 61 61 ASP CB C 13 41.372 0.400 . 1 . . . A 61 ASP CB . 18278 1 694 . 1 1 61 61 ASP N N 15 121.099 0.400 . 1 . . . A 61 ASP N . 18278 1 695 . 1 1 62 62 GLU H H 1 8.347 0.020 . 1 . . . A 62 GLU H . 18278 1 696 . 1 1 62 62 GLU HA H 1 4.181 0.020 . 1 . . . A 62 GLU HA . 18278 1 697 . 1 1 62 62 GLU HB2 H 1 2.111 0.020 . 2 . . . A 62 GLU HB2 . 18278 1 698 . 1 1 62 62 GLU HB3 H 1 1.888 0.020 . 2 . . . A 62 GLU HB3 . 18278 1 699 . 1 1 62 62 GLU HG2 H 1 2.408 0.020 . 2 . . . A 62 GLU HG2 . 18278 1 700 . 1 1 62 62 GLU HG3 H 1 2.212 0.020 . 2 . . . A 62 GLU HG3 . 18278 1 701 . 1 1 62 62 GLU C C 13 179.414 0.400 . 1 . . . A 62 GLU C . 18278 1 702 . 1 1 62 62 GLU CA C 13 58.466 0.400 . 1 . . . A 62 GLU CA . 18278 1 703 . 1 1 62 62 GLU CB C 13 30.332 0.400 . 1 . . . A 62 GLU CB . 18278 1 704 . 1 1 62 62 GLU CG C 13 37.149 0.400 . 1 . . . A 62 GLU CG . 18278 1 705 . 1 1 62 62 GLU N N 15 113.092 0.400 . 1 . . . A 62 GLU N . 18278 1 706 . 1 1 63 63 GLY H H 1 7.896 0.020 . 1 . . . A 63 GLY H . 18278 1 707 . 1 1 63 63 GLY HA2 H 1 3.683 0.020 . 2 . . . A 63 GLY HA2 . 18278 1 708 . 1 1 63 63 GLY HA3 H 1 3.683 0.020 . 2 . . . A 63 GLY HA3 . 18278 1 709 . 1 1 63 63 GLY C C 13 175.101 0.400 . 1 . . . A 63 GLY C . 18278 1 710 . 1 1 63 63 GLY CA C 13 47.121 0.400 . 1 . . . A 63 GLY CA . 18278 1 711 . 1 1 63 63 GLY N N 15 108.077 0.400 . 1 . . . A 63 GLY N . 18278 1 712 . 1 1 64 64 VAL H H 1 8.816 0.020 . 1 . . . A 64 VAL H . 18278 1 713 . 1 1 64 64 VAL HA H 1 3.760 0.020 . 1 . . . A 64 VAL HA . 18278 1 714 . 1 1 64 64 VAL HB H 1 2.301 0.020 . 1 . . . A 64 VAL HB . 18278 1 715 . 1 1 64 64 VAL HG11 H 1 0.889 0.020 . 2 . . . A 64 VAL HG11 . 18278 1 716 . 1 1 64 64 VAL HG12 H 1 0.889 0.020 . 2 . . . A 64 VAL HG12 . 18278 1 717 . 1 1 64 64 VAL HG13 H 1 0.889 0.020 . 2 . . . A 64 VAL HG13 . 18278 1 718 . 1 1 64 64 VAL HG21 H 1 0.838 0.020 . 2 . . . A 64 VAL HG21 . 18278 1 719 . 1 1 64 64 VAL HG22 H 1 0.838 0.020 . 2 . . . A 64 VAL HG22 . 18278 1 720 . 1 1 64 64 VAL HG23 H 1 0.838 0.020 . 2 . . . A 64 VAL HG23 . 18278 1 721 . 1 1 64 64 VAL C C 13 177.196 0.400 . 1 . . . A 64 VAL C . 18278 1 722 . 1 1 64 64 VAL CA C 13 65.704 0.400 . 1 . . . A 64 VAL CA . 18278 1 723 . 1 1 64 64 VAL CB C 13 31.000 0.400 . 1 . . . A 64 VAL CB . 18278 1 724 . 1 1 64 64 VAL CG1 C 13 23.516 0.400 . 2 . . . A 64 VAL CG1 . 18278 1 725 . 1 1 64 64 VAL CG2 C 13 21.970 0.400 . 2 . . . A 64 VAL CG2 . 18278 1 726 . 1 1 64 64 VAL N N 15 120.637 0.400 . 1 . . . A 64 VAL N . 18278 1 727 . 1 1 65 65 ALA H H 1 6.552 0.020 . 1 . . . A 65 ALA H . 18278 1 728 . 1 1 65 65 ALA HA H 1 4.177 0.020 . 1 . . . A 65 ALA HA . 18278 1 729 . 1 1 65 65 ALA HB1 H 1 1.457 0.020 . 1 . . . A 65 ALA HB1 . 18278 1 730 . 1 1 65 65 ALA HB2 H 1 1.457 0.020 . 1 . . . A 65 ALA HB2 . 18278 1 731 . 1 1 65 65 ALA HB3 H 1 1.457 0.020 . 1 . . . A 65 ALA HB3 . 18278 1 732 . 1 1 65 65 ALA C C 13 177.710 0.400 . 1 . . . A 65 ALA C . 18278 1 733 . 1 1 65 65 ALA CA C 13 54.165 0.400 . 1 . . . A 65 ALA CA . 18278 1 734 . 1 1 65 65 ALA CB C 13 18.466 0.400 . 1 . . . A 65 ALA CB . 18278 1 735 . 1 1 65 65 ALA N N 15 116.848 0.400 . 1 . . . A 65 ALA N . 18278 1 736 . 1 1 66 66 GLN H H 1 7.134 0.020 . 1 . . . A 66 GLN H . 18278 1 737 . 1 1 66 66 GLN HA H 1 4.334 0.020 . 1 . . . A 66 GLN HA . 18278 1 738 . 1 1 66 66 GLN HB2 H 1 2.349 0.020 . 2 . . . A 66 GLN HB2 . 18278 1 739 . 1 1 66 66 GLN HB3 H 1 2.107 0.020 . 2 . . . A 66 GLN HB3 . 18278 1 740 . 1 1 66 66 GLN HG2 H 1 2.493 0.020 . 2 . . . A 66 GLN HG2 . 18278 1 741 . 1 1 66 66 GLN HG3 H 1 2.336 0.020 . 2 . . . A 66 GLN HG3 . 18278 1 742 . 1 1 66 66 GLN HE21 H 1 7.005 0.020 . 2 . . . A 66 GLN HE21 . 18278 1 743 . 1 1 66 66 GLN HE22 H 1 7.057 0.020 . 2 . . . A 66 GLN HE22 . 18278 1 744 . 1 1 66 66 GLN C C 13 175.697 0.400 . 1 . . . A 66 GLN C . 18278 1 745 . 1 1 66 66 GLN CA C 13 55.488 0.400 . 1 . . . A 66 GLN CA . 18278 1 746 . 1 1 66 66 GLN CB C 13 30.108 0.400 . 1 . . . A 66 GLN CB . 18278 1 747 . 1 1 66 66 GLN CG C 13 34.408 0.400 . 1 . . . A 66 GLN CG . 18278 1 748 . 1 1 66 66 GLN N N 15 112.649 0.400 . 1 . . . A 66 GLN N . 18278 1 749 . 1 1 66 66 GLN NE2 N 15 111.056 0.400 . 1 . . . A 66 GLN NE2 . 18278 1 750 . 1 1 67 67 MET H H 1 7.851 0.020 . 1 . . . A 67 MET H . 18278 1 751 . 1 1 67 67 MET HA H 1 4.816 0.020 . 1 . . . A 67 MET HA . 18278 1 752 . 1 1 67 67 MET HB2 H 1 2.054 0.020 . 2 . . . A 67 MET HB2 . 18278 1 753 . 1 1 67 67 MET HB3 H 1 1.882 0.020 . 2 . . . A 67 MET HB3 . 18278 1 754 . 1 1 67 67 MET HG2 H 1 2.707 0.020 . 2 . . . A 67 MET HG2 . 18278 1 755 . 1 1 67 67 MET HG3 H 1 1.902 0.020 . 2 . . . A 67 MET HG3 . 18278 1 756 . 1 1 67 67 MET HE1 H 1 1.784 0.020 . 1 . . . A 67 MET HE1 . 18278 1 757 . 1 1 67 67 MET HE2 H 1 1.784 0.020 . 1 . . . A 67 MET HE2 . 18278 1 758 . 1 1 67 67 MET HE3 H 1 1.784 0.020 . 1 . . . A 67 MET HE3 . 18278 1 759 . 1 1 67 67 MET C C 13 171.954 0.400 . 1 . . . A 67 MET C . 18278 1 760 . 1 1 67 67 MET CA C 13 55.001 0.400 . 1 . . . A 67 MET CA . 18278 1 761 . 1 1 67 67 MET CB C 13 35.886 0.400 . 1 . . . A 67 MET CB . 18278 1 762 . 1 1 67 67 MET CG C 13 31.729 0.400 . 1 . . . A 67 MET CG . 18278 1 763 . 1 1 67 67 MET CE C 13 17.702 0.400 . 1 . . . A 67 MET CE . 18278 1 764 . 1 1 67 67 MET N N 15 122.493 0.400 . 1 . . . A 67 MET N . 18278 1 765 . 1 1 68 68 SER H H 1 8.108 0.020 . 1 . . . A 68 SER H . 18278 1 766 . 1 1 68 68 SER HA H 1 4.885 0.020 . 1 . . . A 68 SER HA . 18278 1 767 . 1 1 68 68 SER HB2 H 1 3.799 0.020 . 2 . . . A 68 SER HB2 . 18278 1 768 . 1 1 68 68 SER HB3 H 1 2.311 0.020 . 2 . . . A 68 SER HB3 . 18278 1 769 . 1 1 68 68 SER HG H 1 5.108 0.020 . 1 . . . A 68 SER HG . 18278 1 770 . 1 1 68 68 SER C C 13 176.173 0.400 . 1 . . . A 68 SER C . 18278 1 771 . 1 1 68 68 SER CA C 13 54.627 0.400 . 1 . . . A 68 SER CA . 18278 1 772 . 1 1 68 68 SER CB C 13 65.918 0.400 . 1 . . . A 68 SER CB . 18278 1 773 . 1 1 68 68 SER N N 15 107.708 0.400 . 1 . . . A 68 SER N . 18278 1 774 . 1 1 69 69 VAL H H 1 7.515 0.020 . 1 . . . A 69 VAL H . 18278 1 775 . 1 1 69 69 VAL HA H 1 3.067 0.020 . 1 . . . A 69 VAL HA . 18278 1 776 . 1 1 69 69 VAL HB H 1 1.808 0.020 . 1 . . . A 69 VAL HB . 18278 1 777 . 1 1 69 69 VAL HG11 H 1 0.876 0.020 . 2 . . . A 69 VAL HG11 . 18278 1 778 . 1 1 69 69 VAL HG12 H 1 0.876 0.020 . 2 . . . A 69 VAL HG12 . 18278 1 779 . 1 1 69 69 VAL HG13 H 1 0.876 0.020 . 2 . . . A 69 VAL HG13 . 18278 1 780 . 1 1 69 69 VAL HG21 H 1 0.829 0.020 . 2 . . . A 69 VAL HG21 . 18278 1 781 . 1 1 69 69 VAL HG22 H 1 0.829 0.020 . 2 . . . A 69 VAL HG22 . 18278 1 782 . 1 1 69 69 VAL HG23 H 1 0.829 0.020 . 2 . . . A 69 VAL HG23 . 18278 1 783 . 1 1 69 69 VAL C C 13 176.552 0.400 . 1 . . . A 69 VAL C . 18278 1 784 . 1 1 69 69 VAL CA C 13 67.002 0.400 . 1 . . . A 69 VAL CA . 18278 1 785 . 1 1 69 69 VAL CB C 13 31.681 0.400 . 1 . . . A 69 VAL CB . 18278 1 786 . 1 1 69 69 VAL CG1 C 13 23.765 0.400 . 2 . . . A 69 VAL CG1 . 18278 1 787 . 1 1 69 69 VAL CG2 C 13 21.460 0.400 . 2 . . . A 69 VAL CG2 . 18278 1 788 . 1 1 69 69 VAL N N 15 120.074 0.400 . 1 . . . A 69 VAL N . 18278 1 789 . 1 1 70 70 GLY H H 1 8.870 0.020 . 1 . . . A 70 GLY H . 18278 1 790 . 1 1 70 70 GLY HA2 H 1 4.382 0.020 . 2 . . . A 70 GLY HA2 . 18278 1 791 . 1 1 70 70 GLY HA3 H 1 3.749 0.020 . 2 . . . A 70 GLY HA3 . 18278 1 792 . 1 1 70 70 GLY C C 13 173.809 0.400 . 1 . . . A 70 GLY C . 18278 1 793 . 1 1 70 70 GLY CA C 13 44.335 0.400 . 1 . . . A 70 GLY CA . 18278 1 794 . 1 1 70 70 GLY N N 15 116.701 0.400 . 1 . . . A 70 GLY N . 18278 1 795 . 1 1 71 71 GLN H H 1 8.669 0.020 . 1 . . . A 71 GLN H . 18278 1 796 . 1 1 71 71 GLN HA H 1 4.121 0.020 . 1 . . . A 71 GLN HA . 18278 1 797 . 1 1 71 71 GLN HB2 H 1 2.128 0.020 . 2 . . . A 71 GLN HB2 . 18278 1 798 . 1 1 71 71 GLN HB3 H 1 2.128 0.020 . 2 . . . A 71 GLN HB3 . 18278 1 799 . 1 1 71 71 GLN HG2 H 1 3.095 0.020 . 2 . . . A 71 GLN HG2 . 18278 1 800 . 1 1 71 71 GLN HG3 H 1 2.102 0.020 . 2 . . . A 71 GLN HG3 . 18278 1 801 . 1 1 71 71 GLN HE21 H 1 6.479 0.020 . 2 . . . A 71 GLN HE21 . 18278 1 802 . 1 1 71 71 GLN HE22 H 1 7.690 0.020 . 2 . . . A 71 GLN HE22 . 18278 1 803 . 1 1 71 71 GLN C C 13 174.178 0.400 . 1 . . . A 71 GLN C . 18278 1 804 . 1 1 71 71 GLN CA C 13 55.600 0.400 . 1 . . . A 71 GLN CA . 18278 1 805 . 1 1 71 71 GLN CB C 13 30.488 0.400 . 1 . . . A 71 GLN CB . 18278 1 806 . 1 1 71 71 GLN CG C 13 33.494 0.400 . 1 . . . A 71 GLN CG . 18278 1 807 . 1 1 71 71 GLN N N 15 123.501 0.400 . 1 . . . A 71 GLN N . 18278 1 808 . 1 1 71 71 GLN NE2 N 15 109.747 0.400 . 1 . . . A 71 GLN NE2 . 18278 1 809 . 1 1 72 72 ARG H H 1 8.636 0.020 . 1 . . . A 72 ARG H . 18278 1 810 . 1 1 72 72 ARG HA H 1 5.578 0.020 . 1 . . . A 72 ARG HA . 18278 1 811 . 1 1 72 72 ARG HB2 H 1 1.749 0.020 . 2 . . . A 72 ARG HB2 . 18278 1 812 . 1 1 72 72 ARG HB3 H 1 1.618 0.020 . 2 . . . A 72 ARG HB3 . 18278 1 813 . 1 1 72 72 ARG HG2 H 1 1.541 0.020 . 2 . . . A 72 ARG HG2 . 18278 1 814 . 1 1 72 72 ARG HG3 H 1 1.386 0.020 . 2 . . . A 72 ARG HG3 . 18278 1 815 . 1 1 72 72 ARG HD2 H 1 2.971 0.020 . 2 . . . A 72 ARG HD2 . 18278 1 816 . 1 1 72 72 ARG HD3 H 1 2.897 0.020 . 2 . . . A 72 ARG HD3 . 18278 1 817 . 1 1 72 72 ARG C C 13 175.528 0.400 . 1 . . . A 72 ARG C . 18278 1 818 . 1 1 72 72 ARG CA C 13 53.827 0.400 . 1 . . . A 72 ARG CA . 18278 1 819 . 1 1 72 72 ARG CB C 13 33.646 0.400 . 1 . . . A 72 ARG CB . 18278 1 820 . 1 1 72 72 ARG CG C 13 27.546 0.400 . 1 . . . A 72 ARG CG . 18278 1 821 . 1 1 72 72 ARG CD C 13 43.789 0.400 . 1 . . . A 72 ARG CD . 18278 1 822 . 1 1 72 72 ARG N N 15 124.017 0.400 . 1 . . . A 72 ARG N . 18278 1 823 . 1 1 73 73 ALA H H 1 9.802 0.020 . 1 . . . A 73 ALA H . 18278 1 824 . 1 1 73 73 ALA HA H 1 5.175 0.020 . 1 . . . A 73 ALA HA . 18278 1 825 . 1 1 73 73 ALA HB1 H 1 1.209 0.020 . 1 . . . A 73 ALA HB1 . 18278 1 826 . 1 1 73 73 ALA HB2 H 1 1.209 0.020 . 1 . . . A 73 ALA HB2 . 18278 1 827 . 1 1 73 73 ALA HB3 H 1 1.209 0.020 . 1 . . . A 73 ALA HB3 . 18278 1 828 . 1 1 73 73 ALA C C 13 174.432 0.400 . 1 . . . A 73 ALA C . 18278 1 829 . 1 1 73 73 ALA CA C 13 50.938 0.400 . 1 . . . A 73 ALA CA . 18278 1 830 . 1 1 73 73 ALA CB C 13 23.525 0.400 . 1 . . . A 73 ALA CB . 18278 1 831 . 1 1 73 73 ALA N N 15 130.252 0.400 . 1 . . . A 73 ALA N . 18278 1 832 . 1 1 74 74 LYS H H 1 9.201 0.020 . 1 . . . A 74 LYS H . 18278 1 833 . 1 1 74 74 LYS HA H 1 5.356 0.020 . 1 . . . A 74 LYS HA . 18278 1 834 . 1 1 74 74 LYS HB2 H 1 1.573 0.020 . 2 . . . A 74 LYS HB2 . 18278 1 835 . 1 1 74 74 LYS HB3 H 1 1.573 0.020 . 2 . . . A 74 LYS HB3 . 18278 1 836 . 1 1 74 74 LYS HG2 H 1 1.433 0.020 . 2 . . . A 74 LYS HG2 . 18278 1 837 . 1 1 74 74 LYS HG3 H 1 1.158 0.020 . 2 . . . A 74 LYS HG3 . 18278 1 838 . 1 1 74 74 LYS HD2 H 1 1.554 0.020 . 2 . . . A 74 LYS HD2 . 18278 1 839 . 1 1 74 74 LYS HD3 H 1 1.535 0.020 . 2 . . . A 74 LYS HD3 . 18278 1 840 . 1 1 74 74 LYS HE2 H 1 2.758 0.020 . 2 . . . A 74 LYS HE2 . 18278 1 841 . 1 1 74 74 LYS HE3 H 1 2.758 0.020 . 2 . . . A 74 LYS HE3 . 18278 1 842 . 1 1 74 74 LYS C C 13 175.189 0.400 . 1 . . . A 74 LYS C . 18278 1 843 . 1 1 74 74 LYS CA C 13 54.725 0.400 . 1 . . . A 74 LYS CA . 18278 1 844 . 1 1 74 74 LYS CB C 13 33.942 0.400 . 1 . . . A 74 LYS CB . 18278 1 845 . 1 1 74 74 LYS CG C 13 25.497 0.400 . 1 . . . A 74 LYS CG . 18278 1 846 . 1 1 74 74 LYS CD C 13 29.394 0.400 . 1 . . . A 74 LYS CD . 18278 1 847 . 1 1 74 74 LYS CE C 13 41.690 0.400 . 1 . . . A 74 LYS CE . 18278 1 848 . 1 1 74 74 LYS N N 15 119.717 0.400 . 1 . . . A 74 LYS N . 18278 1 849 . 1 1 75 75 LEU H H 1 9.574 0.020 . 1 . . . A 75 LEU H . 18278 1 850 . 1 1 75 75 LEU HA H 1 5.272 0.020 . 1 . . . A 75 LEU HA . 18278 1 851 . 1 1 75 75 LEU HB2 H 1 1.649 0.020 . 2 . . . A 75 LEU HB2 . 18278 1 852 . 1 1 75 75 LEU HB3 H 1 1.246 0.020 . 2 . . . A 75 LEU HB3 . 18278 1 853 . 1 1 75 75 LEU HG H 1 1.525 0.020 . 1 . . . A 75 LEU HG . 18278 1 854 . 1 1 75 75 LEU HD11 H 1 0.614 0.020 . 2 . . . A 75 LEU HD11 . 18278 1 855 . 1 1 75 75 LEU HD12 H 1 0.614 0.020 . 2 . . . A 75 LEU HD12 . 18278 1 856 . 1 1 75 75 LEU HD13 H 1 0.614 0.020 . 2 . . . A 75 LEU HD13 . 18278 1 857 . 1 1 75 75 LEU HD21 H 1 0.814 0.020 . 2 . . . A 75 LEU HD21 . 18278 1 858 . 1 1 75 75 LEU HD22 H 1 0.814 0.020 . 2 . . . A 75 LEU HD22 . 18278 1 859 . 1 1 75 75 LEU HD23 H 1 0.814 0.020 . 2 . . . A 75 LEU HD23 . 18278 1 860 . 1 1 75 75 LEU C C 13 176.418 0.400 . 1 . . . A 75 LEU C . 18278 1 861 . 1 1 75 75 LEU CA C 13 53.268 0.400 . 1 . . . A 75 LEU CA . 18278 1 862 . 1 1 75 75 LEU CB C 13 43.546 0.400 . 1 . . . A 75 LEU CB . 18278 1 863 . 1 1 75 75 LEU CG C 13 28.110 0.400 . 1 . . . A 75 LEU CG . 18278 1 864 . 1 1 75 75 LEU CD1 C 13 25.598 0.400 . 2 . . . A 75 LEU CD1 . 18278 1 865 . 1 1 75 75 LEU N N 15 125.450 0.400 . 1 . . . A 75 LEU N . 18278 1 866 . 1 1 76 76 VAL H H 1 9.124 0.020 . 1 . . . A 76 VAL H . 18278 1 867 . 1 1 76 76 VAL HA H 1 4.704 0.020 . 1 . . . A 76 VAL HA . 18278 1 868 . 1 1 76 76 VAL HB H 1 2.038 0.020 . 1 . . . A 76 VAL HB . 18278 1 869 . 1 1 76 76 VAL HG11 H 1 0.752 0.020 . 2 . . . A 76 VAL HG11 . 18278 1 870 . 1 1 76 76 VAL HG12 H 1 0.752 0.020 . 2 . . . A 76 VAL HG12 . 18278 1 871 . 1 1 76 76 VAL HG13 H 1 0.752 0.020 . 2 . . . A 76 VAL HG13 . 18278 1 872 . 1 1 76 76 VAL HG21 H 1 0.880 0.020 . 2 . . . A 76 VAL HG21 . 18278 1 873 . 1 1 76 76 VAL HG22 H 1 0.880 0.020 . 2 . . . A 76 VAL HG22 . 18278 1 874 . 1 1 76 76 VAL HG23 H 1 0.880 0.020 . 2 . . . A 76 VAL HG23 . 18278 1 875 . 1 1 76 76 VAL C C 13 177.045 0.400 . 1 . . . A 76 VAL C . 18278 1 876 . 1 1 76 76 VAL CA C 13 62.353 0.400 . 1 . . . A 76 VAL CA . 18278 1 877 . 1 1 76 76 VAL CB C 13 32.334 0.400 . 1 . . . A 76 VAL CB . 18278 1 878 . 1 1 76 76 VAL CG1 C 13 20.883 0.400 . 2 . . . A 76 VAL CG1 . 18278 1 879 . 1 1 76 76 VAL CG2 C 13 19.873 0.400 . 2 . . . A 76 VAL CG2 . 18278 1 880 . 1 1 76 76 VAL N N 15 126.441 0.400 . 1 . . . A 76 VAL N . 18278 1 881 . 1 1 77 77 CYS H H 1 9.649 0.020 . 1 . . . A 77 CYS H . 18278 1 882 . 1 1 77 77 CYS HA H 1 4.996 0.020 . 1 . . . A 77 CYS HA . 18278 1 883 . 1 1 77 77 CYS HB2 H 1 3.145 0.020 . 2 . . . A 77 CYS HB2 . 18278 1 884 . 1 1 77 77 CYS HB3 H 1 2.653 0.020 . 2 . . . A 77 CYS HB3 . 18278 1 885 . 1 1 77 77 CYS C C 13 173.221 0.400 . 1 . . . A 77 CYS C . 18278 1 886 . 1 1 77 77 CYS CA C 13 57.753 0.400 . 1 . . . A 77 CYS CA . 18278 1 887 . 1 1 77 77 CYS CB C 13 29.787 0.400 . 1 . . . A 77 CYS CB . 18278 1 888 . 1 1 77 77 CYS N N 15 126.617 0.400 . 1 . . . A 77 CYS N . 18278 1 889 . 1 1 78 78 SER H H 1 8.649 0.020 . 1 . . . A 78 SER H . 18278 1 890 . 1 1 78 78 SER HA H 1 4.658 0.020 . 1 . . . A 78 SER HA . 18278 1 891 . 1 1 78 78 SER HB2 H 1 4.206 0.020 . 2 . . . A 78 SER HB2 . 18278 1 892 . 1 1 78 78 SER HB3 H 1 4.008 0.020 . 2 . . . A 78 SER HB3 . 18278 1 893 . 1 1 78 78 SER C C 13 172.804 0.400 . 1 . . . A 78 SER C . 18278 1 894 . 1 1 78 78 SER CA C 13 58.055 0.400 . 1 . . . A 78 SER CA . 18278 1 895 . 1 1 78 78 SER CB C 13 62.088 0.400 . 1 . . . A 78 SER CB . 18278 1 896 . 1 1 78 78 SER N N 15 120.981 0.400 . 1 . . . A 78 SER N . 18278 1 897 . 1 1 79 79 PRO HA H 1 4.387 0.020 . 1 . . . A 79 PRO HA . 18278 1 898 . 1 1 79 79 PRO HB2 H 1 1.973 0.020 . 2 . . . A 79 PRO HB2 . 18278 1 899 . 1 1 79 79 PRO HB3 H 1 1.973 0.020 . 2 . . . A 79 PRO HB3 . 18278 1 900 . 1 1 79 79 PRO HG2 H 1 1.908 0.020 . 2 . . . A 79 PRO HG2 . 18278 1 901 . 1 1 79 79 PRO HG3 H 1 1.558 0.020 . 2 . . . A 79 PRO HG3 . 18278 1 902 . 1 1 79 79 PRO HD2 H 1 3.732 0.020 . 2 . . . A 79 PRO HD2 . 18278 1 903 . 1 1 79 79 PRO HD3 H 1 3.732 0.020 . 2 . . . A 79 PRO HD3 . 18278 1 904 . 1 1 79 79 PRO C C 13 179.963 0.400 . 1 . . . A 79 PRO C . 18278 1 905 . 1 1 79 79 PRO CA C 13 66.459 0.400 . 1 . . . A 79 PRO CA . 18278 1 906 . 1 1 79 79 PRO CB C 13 31.261 0.400 . 1 . . . A 79 PRO CB . 18278 1 907 . 1 1 79 79 PRO CG C 13 27.784 0.400 . 1 . . . A 79 PRO CG . 18278 1 908 . 1 1 79 79 PRO CD C 13 49.749 0.400 . 1 . . . A 79 PRO CD . 18278 1 909 . 1 1 80 80 ASP H H 1 8.806 0.020 . 1 . . . A 80 ASP H . 18278 1 910 . 1 1 80 80 ASP HA H 1 4.361 0.020 . 1 . . . A 80 ASP HA . 18278 1 911 . 1 1 80 80 ASP HB2 H 1 2.605 0.020 . 2 . . . A 80 ASP HB2 . 18278 1 912 . 1 1 80 80 ASP HB3 H 1 2.531 0.020 . 2 . . . A 80 ASP HB3 . 18278 1 913 . 1 1 80 80 ASP C C 13 176.421 0.400 . 1 . . . A 80 ASP C . 18278 1 914 . 1 1 80 80 ASP CA C 13 56.142 0.400 . 1 . . . A 80 ASP CA . 18278 1 915 . 1 1 80 80 ASP CB C 13 39.358 0.400 . 1 . . . A 80 ASP CB . 18278 1 916 . 1 1 80 80 ASP N N 15 115.842 0.400 . 1 . . . A 80 ASP N . 18278 1 917 . 1 1 81 81 TYR H H 1 8.176 0.020 . 1 . . . A 81 TYR H . 18278 1 918 . 1 1 81 81 TYR HA H 1 4.338 0.020 . 1 . . . A 81 TYR HA . 18278 1 919 . 1 1 81 81 TYR HB2 H 1 2.860 0.020 . 2 . . . A 81 TYR HB2 . 18278 1 920 . 1 1 81 81 TYR HB3 H 1 2.860 0.020 . 2 . . . A 81 TYR HB3 . 18278 1 921 . 1 1 81 81 TYR HD1 H 1 6.686 0.020 . 3 . . . A 81 TYR HD1 . 18278 1 922 . 1 1 81 81 TYR HD2 H 1 6.686 0.020 . 3 . . . A 81 TYR HD2 . 18278 1 923 . 1 1 81 81 TYR C C 13 173.349 0.400 . 1 . . . A 81 TYR C . 18278 1 924 . 1 1 81 81 TYR CA C 13 57.877 0.400 . 1 . . . A 81 TYR CA . 18278 1 925 . 1 1 81 81 TYR CB C 13 38.114 0.400 . 1 . . . A 81 TYR CB . 18278 1 926 . 1 1 81 81 TYR CD2 C 13 131.656 0.400 . 3 . . . A 81 TYR CD2 . 18278 1 927 . 1 1 81 81 TYR N N 15 122.100 0.400 . 1 . . . A 81 TYR N . 18278 1 928 . 1 1 82 82 ALA H H 1 7.762 0.020 . 1 . . . A 82 ALA H . 18278 1 929 . 1 1 82 82 ALA HA H 1 4.376 0.020 . 1 . . . A 82 ALA HA . 18278 1 930 . 1 1 82 82 ALA HB1 H 1 1.372 0.020 . 1 . . . A 82 ALA HB1 . 18278 1 931 . 1 1 82 82 ALA HB2 H 1 1.372 0.020 . 1 . . . A 82 ALA HB2 . 18278 1 932 . 1 1 82 82 ALA HB3 H 1 1.372 0.020 . 1 . . . A 82 ALA HB3 . 18278 1 933 . 1 1 82 82 ALA C C 13 175.937 0.400 . 1 . . . A 82 ALA C . 18278 1 934 . 1 1 82 82 ALA CA C 13 52.187 0.400 . 1 . . . A 82 ALA CA . 18278 1 935 . 1 1 82 82 ALA CB C 13 18.889 0.400 . 1 . . . A 82 ALA CB . 18278 1 936 . 1 1 82 82 ALA N N 15 125.509 0.400 . 1 . . . A 82 ALA N . 18278 1 937 . 1 1 83 83 TYR H H 1 9.456 0.020 . 1 . . . A 83 TYR H . 18278 1 938 . 1 1 83 83 TYR HA H 1 4.533 0.020 . 1 . . . A 83 TYR HA . 18278 1 939 . 1 1 83 83 TYR HB2 H 1 3.166 0.020 . 2 . . . A 83 TYR HB2 . 18278 1 940 . 1 1 83 83 TYR HB3 H 1 2.621 0.020 . 2 . . . A 83 TYR HB3 . 18278 1 941 . 1 1 83 83 TYR HD1 H 1 7.008 0.020 . 3 . . . A 83 TYR HD1 . 18278 1 942 . 1 1 83 83 TYR HD2 H 1 7.008 0.020 . 3 . . . A 83 TYR HD2 . 18278 1 943 . 1 1 83 83 TYR HE1 H 1 6.462 0.020 . 3 . . . A 83 TYR HE1 . 18278 1 944 . 1 1 83 83 TYR HE2 H 1 6.462 0.020 . 3 . . . A 83 TYR HE2 . 18278 1 945 . 1 1 83 83 TYR C C 13 176.565 0.400 . 1 . . . A 83 TYR C . 18278 1 946 . 1 1 83 83 TYR CA C 13 59.098 0.400 . 1 . . . A 83 TYR CA . 18278 1 947 . 1 1 83 83 TYR CB C 13 38.043 0.400 . 1 . . . A 83 TYR CB . 18278 1 948 . 1 1 83 83 TYR CD2 C 13 133.197 0.400 . 3 . . . A 83 TYR CD2 . 18278 1 949 . 1 1 83 83 TYR CE2 C 13 117.903 0.400 . 3 . . . A 83 TYR CE2 . 18278 1 950 . 1 1 83 83 TYR N N 15 122.420 0.400 . 1 . . . A 83 TYR N . 18278 1 951 . 1 1 84 84 GLY H H 1 8.547 0.020 . 1 . . . A 84 GLY H . 18278 1 952 . 1 1 84 84 GLY HA2 H 1 4.000 0.020 . 2 . . . A 84 GLY HA2 . 18278 1 953 . 1 1 84 84 GLY HA3 H 1 3.665 0.020 . 2 . . . A 84 GLY HA3 . 18278 1 954 . 1 1 84 84 GLY C C 13 175.473 0.400 . 1 . . . A 84 GLY C . 18278 1 955 . 1 1 84 84 GLY CA C 13 46.650 0.400 . 1 . . . A 84 GLY CA . 18278 1 956 . 1 1 84 84 GLY N N 15 108.224 0.400 . 1 . . . A 84 GLY N . 18278 1 957 . 1 1 85 85 SER HA H 1 4.160 0.020 . 1 . . . A 85 SER HA . 18278 1 958 . 1 1 85 85 SER HB2 H 1 3.915 0.020 . 2 . . . A 85 SER HB2 . 18278 1 959 . 1 1 85 85 SER HB3 H 1 3.865 0.020 . 2 . . . A 85 SER HB3 . 18278 1 960 . 1 1 85 85 SER C C 13 176.922 0.400 . 1 . . . A 85 SER C . 18278 1 961 . 1 1 85 85 SER CA C 13 60.148 0.400 . 1 . . . A 85 SER CA . 18278 1 962 . 1 1 85 85 SER CB C 13 62.896 0.400 . 1 . . . A 85 SER CB . 18278 1 963 . 1 1 86 86 ARG H H 1 8.271 0.020 . 1 . . . A 86 ARG H . 18278 1 964 . 1 1 86 86 ARG HA H 1 4.182 0.020 . 1 . . . A 86 ARG HA . 18278 1 965 . 1 1 86 86 ARG HB2 H 1 1.920 0.020 . 2 . . . A 86 ARG HB2 . 18278 1 966 . 1 1 86 86 ARG HB3 H 1 1.920 0.020 . 2 . . . A 86 ARG HB3 . 18278 1 967 . 1 1 86 86 ARG HG2 H 1 1.693 0.020 . 2 . . . A 86 ARG HG2 . 18278 1 968 . 1 1 86 86 ARG HG3 H 1 1.651 0.020 . 2 . . . A 86 ARG HG3 . 18278 1 969 . 1 1 86 86 ARG HD2 H 1 3.189 0.020 . 2 . . . A 86 ARG HD2 . 18278 1 970 . 1 1 86 86 ARG HD3 H 1 3.189 0.020 . 2 . . . A 86 ARG HD3 . 18278 1 971 . 1 1 86 86 ARG C C 13 179.197 0.400 . 1 . . . A 86 ARG C . 18278 1 972 . 1 1 86 86 ARG CA C 13 57.775 0.400 . 1 . . . A 86 ARG CA . 18278 1 973 . 1 1 86 86 ARG CB C 13 31.076 0.400 . 1 . . . A 86 ARG CB . 18278 1 974 . 1 1 86 86 ARG CG C 13 27.498 0.400 . 1 . . . A 86 ARG CG . 18278 1 975 . 1 1 86 86 ARG CD C 13 43.168 0.400 . 1 . . . A 86 ARG CD . 18278 1 976 . 1 1 86 86 ARG N N 15 120.244 0.400 . 1 . . . A 86 ARG N . 18278 1 977 . 1 1 87 87 GLY H H 1 7.310 0.020 . 1 . . . A 87 GLY H . 18278 1 978 . 1 1 87 87 GLY HA2 H 1 3.627 0.020 . 2 . . . A 87 GLY HA2 . 18278 1 979 . 1 1 87 87 GLY HA3 H 1 3.402 0.020 . 2 . . . A 87 GLY HA3 . 18278 1 980 . 1 1 87 87 GLY C C 13 171.392 0.400 . 1 . . . A 87 GLY C . 18278 1 981 . 1 1 87 87 GLY CA C 13 44.843 0.400 . 1 . . . A 87 GLY CA . 18278 1 982 . 1 1 87 87 GLY N N 15 103.692 0.400 . 1 . . . A 87 GLY N . 18278 1 983 . 1 1 88 88 HIS H H 1 8.710 0.020 . 1 . . . A 88 HIS H . 18278 1 984 . 1 1 88 88 HIS HA H 1 5.031 0.020 . 1 . . . A 88 HIS HA . 18278 1 985 . 1 1 88 88 HIS HB2 H 1 2.468 0.020 . 2 . . . A 88 HIS HB2 . 18278 1 986 . 1 1 88 88 HIS HB3 H 1 1.880 0.020 . 2 . . . A 88 HIS HB3 . 18278 1 987 . 1 1 88 88 HIS HD2 H 1 6.421 0.020 . 1 . . . A 88 HIS HD2 . 18278 1 988 . 1 1 88 88 HIS C C 13 172.580 0.400 . 1 . . . A 88 HIS C . 18278 1 989 . 1 1 88 88 HIS CA C 13 52.993 0.400 . 1 . . . A 88 HIS CA . 18278 1 990 . 1 1 88 88 HIS CB C 13 32.780 0.400 . 1 . . . A 88 HIS CB . 18278 1 991 . 1 1 88 88 HIS N N 15 121.475 0.400 . 1 . . . A 88 HIS N . 18278 1 992 . 1 1 89 89 PRO HA H 1 4.089 0.020 . 1 . . . A 89 PRO HA . 18278 1 993 . 1 1 89 89 PRO HB2 H 1 1.807 0.020 . 2 . . . A 89 PRO HB2 . 18278 1 994 . 1 1 89 89 PRO HB3 H 1 2.149 0.020 . 2 . . . A 89 PRO HB3 . 18278 1 995 . 1 1 89 89 PRO HG2 H 1 1.931 0.020 . 2 . . . A 89 PRO HG2 . 18278 1 996 . 1 1 89 89 PRO HG3 H 1 1.855 0.020 . 2 . . . A 89 PRO HG3 . 18278 1 997 . 1 1 89 89 PRO HD2 H 1 3.515 0.020 . 2 . . . A 89 PRO HD2 . 18278 1 998 . 1 1 89 89 PRO HD3 H 1 3.298 0.020 . 2 . . . A 89 PRO HD3 . 18278 1 999 . 1 1 89 89 PRO CA C 13 65.056 0.400 . 1 . . . A 89 PRO CA . 18278 1 1000 . 1 1 89 89 PRO CB C 13 31.815 0.400 . 1 . . . A 89 PRO CB . 18278 1 1001 . 1 1 89 89 PRO CG C 13 26.940 0.400 . 1 . . . A 89 PRO CG . 18278 1 1002 . 1 1 89 89 PRO CD C 13 51.217 0.400 . 1 . . . A 89 PRO CD . 18278 1 1003 . 1 1 90 90 GLY HA2 H 1 4.166 0.020 . 2 . . . A 90 GLY HA2 . 18278 1 1004 . 1 1 90 90 GLY HA3 H 1 3.548 0.020 . 2 . . . A 90 GLY HA3 . 18278 1 1005 . 1 1 90 90 GLY C C 13 174.040 0.400 . 1 . . . A 90 GLY C . 18278 1 1006 . 1 1 90 90 GLY CA C 13 45.182 0.400 . 1 . . . A 90 GLY CA . 18278 1 1007 . 1 1 91 91 VAL H H 1 8.206 0.020 . 1 . . . A 91 VAL H . 18278 1 1008 . 1 1 91 91 VAL HA H 1 4.118 0.020 . 1 . . . A 91 VAL HA . 18278 1 1009 . 1 1 91 91 VAL HB H 1 1.557 0.020 . 1 . . . A 91 VAL HB . 18278 1 1010 . 1 1 91 91 VAL HG11 H 1 0.894 0.020 . 2 . . . A 91 VAL HG11 . 18278 1 1011 . 1 1 91 91 VAL HG12 H 1 0.894 0.020 . 2 . . . A 91 VAL HG12 . 18278 1 1012 . 1 1 91 91 VAL HG13 H 1 0.894 0.020 . 2 . . . A 91 VAL HG13 . 18278 1 1013 . 1 1 91 91 VAL HG21 H 1 0.715 0.020 . 2 . . . A 91 VAL HG21 . 18278 1 1014 . 1 1 91 91 VAL HG22 H 1 0.715 0.020 . 2 . . . A 91 VAL HG22 . 18278 1 1015 . 1 1 91 91 VAL HG23 H 1 0.715 0.020 . 2 . . . A 91 VAL HG23 . 18278 1 1016 . 1 1 91 91 VAL C C 13 174.478 0.400 . 1 . . . A 91 VAL C . 18278 1 1017 . 1 1 91 91 VAL CA C 13 64.294 0.400 . 1 . . . A 91 VAL CA . 18278 1 1018 . 1 1 91 91 VAL CB C 13 35.916 0.400 . 1 . . . A 91 VAL CB . 18278 1 1019 . 1 1 91 91 VAL CG1 C 13 21.373 0.400 . 2 . . . A 91 VAL CG1 . 18278 1 1020 . 1 1 91 91 VAL CG2 C 13 20.795 0.400 . 2 . . . A 91 VAL CG2 . 18278 1 1021 . 1 1 91 91 VAL N N 15 119.243 0.400 . 1 . . . A 91 VAL N . 18278 1 1022 . 1 1 92 92 ILE H H 1 8.366 0.020 . 1 . . . A 92 ILE H . 18278 1 1023 . 1 1 92 92 ILE HA H 1 4.466 0.020 . 1 . . . A 92 ILE HA . 18278 1 1024 . 1 1 92 92 ILE HB H 1 1.291 0.020 . 1 . . . A 92 ILE HB . 18278 1 1025 . 1 1 92 92 ILE HG12 H 1 0.711 0.020 . 2 . . . A 92 ILE HG12 . 18278 1 1026 . 1 1 92 92 ILE HG13 H 1 0.387 0.020 . 2 . . . A 92 ILE HG13 . 18278 1 1027 . 1 1 92 92 ILE HG21 H 1 0.831 0.020 . 1 . . . A 92 ILE HG21 . 18278 1 1028 . 1 1 92 92 ILE HG22 H 1 0.831 0.020 . 1 . . . A 92 ILE HG22 . 18278 1 1029 . 1 1 92 92 ILE HG23 H 1 0.831 0.020 . 1 . . . A 92 ILE HG23 . 18278 1 1030 . 1 1 92 92 ILE HD11 H 1 -0.215 0.020 . 1 . . . A 92 ILE HD11 . 18278 1 1031 . 1 1 92 92 ILE HD12 H 1 -0.215 0.020 . 1 . . . A 92 ILE HD12 . 18278 1 1032 . 1 1 92 92 ILE HD13 H 1 -0.215 0.020 . 1 . . . A 92 ILE HD13 . 18278 1 1033 . 1 1 92 92 ILE C C 13 174.440 0.400 . 1 . . . A 92 ILE C . 18278 1 1034 . 1 1 92 92 ILE CA C 13 56.215 0.400 . 1 . . . A 92 ILE CA . 18278 1 1035 . 1 1 92 92 ILE CB C 13 40.820 0.400 . 1 . . . A 92 ILE CB . 18278 1 1036 . 1 1 92 92 ILE CG1 C 13 26.151 0.400 . 1 . . . A 92 ILE CG1 . 18278 1 1037 . 1 1 92 92 ILE CG2 C 13 17.787 0.400 . 1 . . . A 92 ILE CG2 . 18278 1 1038 . 1 1 92 92 ILE CD1 C 13 11.610 0.400 . 1 . . . A 92 ILE CD1 . 18278 1 1039 . 1 1 92 92 ILE N N 15 119.119 0.400 . 1 . . . A 92 ILE N . 18278 1 1040 . 1 1 93 93 PRO HA H 1 4.676 0.020 . 1 . . . A 93 PRO HA . 18278 1 1041 . 1 1 93 93 PRO HB2 H 1 1.861 0.020 . 2 . . . A 93 PRO HB2 . 18278 1 1042 . 1 1 93 93 PRO HB3 H 1 2.343 0.020 . 2 . . . A 93 PRO HB3 . 18278 1 1043 . 1 1 93 93 PRO HG2 H 1 1.933 0.020 . 2 . . . A 93 PRO HG2 . 18278 1 1044 . 1 1 93 93 PRO HG3 H 1 1.877 0.020 . 2 . . . A 93 PRO HG3 . 18278 1 1045 . 1 1 93 93 PRO HD2 H 1 3.725 0.020 . 2 . . . A 93 PRO HD2 . 18278 1 1046 . 1 1 93 93 PRO HD3 H 1 3.301 0.020 . 2 . . . A 93 PRO HD3 . 18278 1 1047 . 1 1 93 93 PRO CA C 13 62.002 0.400 . 1 . . . A 93 PRO CA . 18278 1 1048 . 1 1 93 93 PRO CB C 13 31.192 0.400 . 1 . . . A 93 PRO CB . 18278 1 1049 . 1 1 93 93 PRO CG C 13 26.885 0.400 . 1 . . . A 93 PRO CG . 18278 1 1050 . 1 1 93 93 PRO CD C 13 51.766 0.400 . 1 . . . A 93 PRO CD . 18278 1 1051 . 1 1 94 94 PRO HA H 1 3.691 0.020 . 1 . . . A 94 PRO HA . 18278 1 1052 . 1 1 94 94 PRO HB2 H 1 1.655 0.020 . 2 . . . A 94 PRO HB2 . 18278 1 1053 . 1 1 94 94 PRO HB3 H 1 2.480 0.020 . 2 . . . A 94 PRO HB3 . 18278 1 1054 . 1 1 94 94 PRO HG2 H 1 1.987 0.020 . 2 . . . A 94 PRO HG2 . 18278 1 1055 . 1 1 94 94 PRO HG3 H 1 1.740 0.020 . 2 . . . A 94 PRO HG3 . 18278 1 1056 . 1 1 94 94 PRO HD2 H 1 3.730 0.020 . 2 . . . A 94 PRO HD2 . 18278 1 1057 . 1 1 94 94 PRO HD3 H 1 3.441 0.020 . 2 . . . A 94 PRO HD3 . 18278 1 1058 . 1 1 94 94 PRO C C 13 176.019 0.400 . 1 . . . A 94 PRO C . 18278 1 1059 . 1 1 94 94 PRO CA C 13 63.639 0.400 . 1 . . . A 94 PRO CA . 18278 1 1060 . 1 1 94 94 PRO CB C 13 33.189 0.400 . 1 . . . A 94 PRO CB . 18278 1 1061 . 1 1 94 94 PRO CG C 13 28.115 0.400 . 1 . . . A 94 PRO CG . 18278 1 1062 . 1 1 94 94 PRO CD C 13 50.893 0.400 . 1 . . . A 94 PRO CD . 18278 1 1063 . 1 1 95 95 ASN H H 1 8.160 0.020 . 1 . . . A 95 ASN H . 18278 1 1064 . 1 1 95 95 ASN HA H 1 3.885 0.020 . 1 . . . A 95 ASN HA . 18278 1 1065 . 1 1 95 95 ASN HB2 H 1 2.886 0.020 . 2 . . . A 95 ASN HB2 . 18278 1 1066 . 1 1 95 95 ASN HB3 H 1 2.693 0.020 . 2 . . . A 95 ASN HB3 . 18278 1 1067 . 1 1 95 95 ASN HD21 H 1 6.881 0.020 . 2 . . . A 95 ASN HD21 . 18278 1 1068 . 1 1 95 95 ASN HD22 H 1 7.567 0.020 . 2 . . . A 95 ASN HD22 . 18278 1 1069 . 1 1 95 95 ASN C C 13 173.385 0.400 . 1 . . . A 95 ASN C . 18278 1 1070 . 1 1 95 95 ASN CA C 13 54.406 0.400 . 1 . . . A 95 ASN CA . 18278 1 1071 . 1 1 95 95 ASN CB C 13 37.300 0.400 . 1 . . . A 95 ASN CB . 18278 1 1072 . 1 1 95 95 ASN N N 15 116.901 0.400 . 1 . . . A 95 ASN N . 18278 1 1073 . 1 1 95 95 ASN ND2 N 15 114.362 0.400 . 1 . . . A 95 ASN ND2 . 18278 1 1074 . 1 1 96 96 ALA H H 1 7.767 0.020 . 1 . . . A 96 ALA H . 18278 1 1075 . 1 1 96 96 ALA HA H 1 4.340 0.020 . 1 . . . A 96 ALA HA . 18278 1 1076 . 1 1 96 96 ALA HB1 H 1 1.172 0.020 . 1 . . . A 96 ALA HB1 . 18278 1 1077 . 1 1 96 96 ALA HB2 H 1 1.172 0.020 . 1 . . . A 96 ALA HB2 . 18278 1 1078 . 1 1 96 96 ALA HB3 H 1 1.172 0.020 . 1 . . . A 96 ALA HB3 . 18278 1 1079 . 1 1 96 96 ALA C C 13 177.043 0.400 . 1 . . . A 96 ALA C . 18278 1 1080 . 1 1 96 96 ALA CA C 13 52.634 0.400 . 1 . . . A 96 ALA CA . 18278 1 1081 . 1 1 96 96 ALA CB C 13 20.669 0.400 . 1 . . . A 96 ALA CB . 18278 1 1082 . 1 1 96 96 ALA N N 15 121.349 0.400 . 1 . . . A 96 ALA N . 18278 1 1083 . 1 1 97 97 THR H H 1 8.451 0.020 . 1 . . . A 97 THR H . 18278 1 1084 . 1 1 97 97 THR HA H 1 4.594 0.020 . 1 . . . A 97 THR HA . 18278 1 1085 . 1 1 97 97 THR HB H 1 3.924 0.020 . 1 . . . A 97 THR HB . 18278 1 1086 . 1 1 97 97 THR HG21 H 1 0.945 0.020 . 1 . . . A 97 THR HG21 . 18278 1 1087 . 1 1 97 97 THR HG22 H 1 0.945 0.020 . 1 . . . A 97 THR HG22 . 18278 1 1088 . 1 1 97 97 THR HG23 H 1 0.945 0.020 . 1 . . . A 97 THR HG23 . 18278 1 1089 . 1 1 97 97 THR C C 13 175.012 0.400 . 1 . . . A 97 THR C . 18278 1 1090 . 1 1 97 97 THR CA C 13 63.269 0.400 . 1 . . . A 97 THR CA . 18278 1 1091 . 1 1 97 97 THR CB C 13 69.280 0.400 . 1 . . . A 97 THR CB . 18278 1 1092 . 1 1 97 97 THR CG2 C 13 20.737 0.400 . 1 . . . A 97 THR CG2 . 18278 1 1093 . 1 1 97 97 THR N N 15 121.606 0.400 . 1 . . . A 97 THR N . 18278 1 1094 . 1 1 98 98 LEU H H 1 8.568 0.020 . 1 . . . A 98 LEU H . 18278 1 1095 . 1 1 98 98 LEU HA H 1 4.839 0.020 . 1 . . . A 98 LEU HA . 18278 1 1096 . 1 1 98 98 LEU HB2 H 1 1.673 0.020 . 2 . . . A 98 LEU HB2 . 18278 1 1097 . 1 1 98 98 LEU HB3 H 1 1.220 0.020 . 2 . . . A 98 LEU HB3 . 18278 1 1098 . 1 1 98 98 LEU HD11 H 1 1.093 0.020 . 2 . . . A 98 LEU HD11 . 18278 1 1099 . 1 1 98 98 LEU HD12 H 1 1.093 0.020 . 2 . . . A 98 LEU HD12 . 18278 1 1100 . 1 1 98 98 LEU HD13 H 1 1.093 0.020 . 2 . . . A 98 LEU HD13 . 18278 1 1101 . 1 1 98 98 LEU HD21 H 1 0.623 0.020 . 2 . . . A 98 LEU HD21 . 18278 1 1102 . 1 1 98 98 LEU HD22 H 1 0.623 0.020 . 2 . . . A 98 LEU HD22 . 18278 1 1103 . 1 1 98 98 LEU HD23 H 1 0.623 0.020 . 2 . . . A 98 LEU HD23 . 18278 1 1104 . 1 1 98 98 LEU C C 13 175.060 0.400 . 1 . . . A 98 LEU C . 18278 1 1105 . 1 1 98 98 LEU CA C 13 53.303 0.400 . 1 . . . A 98 LEU CA . 18278 1 1106 . 1 1 98 98 LEU CB C 13 45.999 0.400 . 1 . . . A 98 LEU CB . 18278 1 1107 . 1 1 98 98 LEU CD1 C 13 26.956 0.400 . 2 . . . A 98 LEU CD1 . 18278 1 1108 . 1 1 98 98 LEU CD2 C 13 23.685 0.400 . 2 . . . A 98 LEU CD2 . 18278 1 1109 . 1 1 98 98 LEU N N 15 128.165 0.400 . 1 . . . A 98 LEU N . 18278 1 1110 . 1 1 99 99 THR H H 1 8.275 0.020 . 1 . . . A 99 THR H . 18278 1 1111 . 1 1 99 99 THR HA H 1 5.217 0.020 . 1 . . . A 99 THR HA . 18278 1 1112 . 1 1 99 99 THR HB H 1 3.886 0.020 . 1 . . . A 99 THR HB . 18278 1 1113 . 1 1 99 99 THR HG21 H 1 1.035 0.020 . 1 . . . A 99 THR HG21 . 18278 1 1114 . 1 1 99 99 THR HG22 H 1 1.035 0.020 . 1 . . . A 99 THR HG22 . 18278 1 1115 . 1 1 99 99 THR HG23 H 1 1.035 0.020 . 1 . . . A 99 THR HG23 . 18278 1 1116 . 1 1 99 99 THR C C 13 173.189 0.400 . 1 . . . A 99 THR C . 18278 1 1117 . 1 1 99 99 THR CA C 13 61.960 0.400 . 1 . . . A 99 THR CA . 18278 1 1118 . 1 1 99 99 THR CB C 13 69.970 0.400 . 1 . . . A 99 THR CB . 18278 1 1119 . 1 1 99 99 THR CG2 C 13 21.477 0.400 . 1 . . . A 99 THR CG2 . 18278 1 1120 . 1 1 99 99 THR N N 15 117.629 0.400 . 1 . . . A 99 THR N . 18278 1 1121 . 1 1 100 100 PHE H H 1 9.451 0.020 . 1 . . . A 100 PHE H . 18278 1 1122 . 1 1 100 100 PHE HA H 1 5.602 0.020 . 1 . . . A 100 PHE HA . 18278 1 1123 . 1 1 100 100 PHE HB2 H 1 2.843 0.020 . 2 . . . A 100 PHE HB2 . 18278 1 1124 . 1 1 100 100 PHE HB3 H 1 2.703 0.020 . 2 . . . A 100 PHE HB3 . 18278 1 1125 . 1 1 100 100 PHE HD1 H 1 7.234 0.020 . 3 . . . A 100 PHE HD1 . 18278 1 1126 . 1 1 100 100 PHE HD2 H 1 7.234 0.020 . 3 . . . A 100 PHE HD2 . 18278 1 1127 . 1 1 100 100 PHE HE1 H 1 7.429 0.020 . 3 . . . A 100 PHE HE1 . 18278 1 1128 . 1 1 100 100 PHE HE2 H 1 7.429 0.020 . 3 . . . A 100 PHE HE2 . 18278 1 1129 . 1 1 100 100 PHE C C 13 173.902 0.400 . 1 . . . A 100 PHE C . 18278 1 1130 . 1 1 100 100 PHE CA C 13 55.638 0.400 . 1 . . . A 100 PHE CA . 18278 1 1131 . 1 1 100 100 PHE CB C 13 42.687 0.400 . 1 . . . A 100 PHE CB . 18278 1 1132 . 1 1 100 100 PHE N N 15 123.058 0.400 . 1 . . . A 100 PHE N . 18278 1 1133 . 1 1 101 101 ASP H H 1 8.813 0.020 . 1 . . . A 101 ASP H . 18278 1 1134 . 1 1 101 101 ASP HA H 1 5.063 0.020 . 1 . . . A 101 ASP HA . 18278 1 1135 . 1 1 101 101 ASP HB2 H 1 2.794 0.020 . 2 . . . A 101 ASP HB2 . 18278 1 1136 . 1 1 101 101 ASP HB3 H 1 2.464 0.020 . 2 . . . A 101 ASP HB3 . 18278 1 1137 . 1 1 101 101 ASP C C 13 176.641 0.400 . 1 . . . A 101 ASP C . 18278 1 1138 . 1 1 101 101 ASP CA C 13 53.325 0.400 . 1 . . . A 101 ASP CA . 18278 1 1139 . 1 1 101 101 ASP CB C 13 41.970 0.400 . 1 . . . A 101 ASP CB . 18278 1 1140 . 1 1 101 101 ASP N N 15 125.593 0.400 . 1 . . . A 101 ASP N . 18278 1 1141 . 1 1 102 102 VAL H H 1 9.562 0.020 . 1 . . . A 102 VAL H . 18278 1 1142 . 1 1 102 102 VAL HA H 1 5.001 0.020 . 1 . . . A 102 VAL HA . 18278 1 1143 . 1 1 102 102 VAL HB H 1 1.723 0.020 . 1 . . . A 102 VAL HB . 18278 1 1144 . 1 1 102 102 VAL HG11 H 1 0.579 0.020 . 2 . . . A 102 VAL HG11 . 18278 1 1145 . 1 1 102 102 VAL HG12 H 1 0.579 0.020 . 2 . . . A 102 VAL HG12 . 18278 1 1146 . 1 1 102 102 VAL HG13 H 1 0.579 0.020 . 2 . . . A 102 VAL HG13 . 18278 1 1147 . 1 1 102 102 VAL HG21 H 1 0.607 0.020 . 2 . . . A 102 VAL HG21 . 18278 1 1148 . 1 1 102 102 VAL HG22 H 1 0.607 0.020 . 2 . . . A 102 VAL HG22 . 18278 1 1149 . 1 1 102 102 VAL HG23 H 1 0.607 0.020 . 2 . . . A 102 VAL HG23 . 18278 1 1150 . 1 1 102 102 VAL C C 13 172.994 0.400 . 1 . . . A 102 VAL C . 18278 1 1151 . 1 1 102 102 VAL CA C 13 61.143 0.400 . 1 . . . A 102 VAL CA . 18278 1 1152 . 1 1 102 102 VAL CB C 13 35.199 0.400 . 1 . . . A 102 VAL CB . 18278 1 1153 . 1 1 102 102 VAL CG1 C 13 22.515 0.400 . 2 . . . A 102 VAL CG1 . 18278 1 1154 . 1 1 102 102 VAL CG2 C 13 21.102 0.400 . 2 . . . A 102 VAL CG2 . 18278 1 1155 . 1 1 102 102 VAL N N 15 127.441 0.400 . 1 . . . A 102 VAL N . 18278 1 1156 . 1 1 103 103 GLU H H 1 9.073 0.020 . 1 . . . A 103 GLU H . 18278 1 1157 . 1 1 103 103 GLU HA H 1 5.294 0.020 . 1 . . . A 103 GLU HA . 18278 1 1158 . 1 1 103 103 GLU HB2 H 1 1.948 0.020 . 2 . . . A 103 GLU HB2 . 18278 1 1159 . 1 1 103 103 GLU HB3 H 1 1.597 0.020 . 2 . . . A 103 GLU HB3 . 18278 1 1160 . 1 1 103 103 GLU HG2 H 1 1.953 0.020 . 2 . . . A 103 GLU HG2 . 18278 1 1161 . 1 1 103 103 GLU HG3 H 1 1.840 0.020 . 2 . . . A 103 GLU HG3 . 18278 1 1162 . 1 1 103 103 GLU C C 13 175.255 0.400 . 1 . . . A 103 GLU C . 18278 1 1163 . 1 1 103 103 GLU CA C 13 53.860 0.400 . 1 . . . A 103 GLU CA . 18278 1 1164 . 1 1 103 103 GLU CB C 13 33.796 0.400 . 1 . . . A 103 GLU CB . 18278 1 1165 . 1 1 103 103 GLU CG C 13 36.066 0.400 . 1 . . . A 103 GLU CG . 18278 1 1166 . 1 1 103 103 GLU N N 15 127.690 0.400 . 1 . . . A 103 GLU N . 18278 1 1167 . 1 1 104 104 LEU H H 1 8.392 0.020 . 1 . . . A 104 LEU H . 18278 1 1168 . 1 1 104 104 LEU HA H 1 4.649 0.020 . 1 . . . A 104 LEU HA . 18278 1 1169 . 1 1 104 104 LEU HB2 H 1 2.190 0.020 . 2 . . . A 104 LEU HB2 . 18278 1 1170 . 1 1 104 104 LEU HB3 H 1 0.965 0.020 . 2 . . . A 104 LEU HB3 . 18278 1 1171 . 1 1 104 104 LEU HG H 1 1.191 0.020 . 1 . . . A 104 LEU HG . 18278 1 1172 . 1 1 104 104 LEU HD11 H 1 0.514 0.020 . 2 . . . A 104 LEU HD11 . 18278 1 1173 . 1 1 104 104 LEU HD12 H 1 0.514 0.020 . 2 . . . A 104 LEU HD12 . 18278 1 1174 . 1 1 104 104 LEU HD13 H 1 0.514 0.020 . 2 . . . A 104 LEU HD13 . 18278 1 1175 . 1 1 104 104 LEU HD21 H 1 0.753 0.020 . 2 . . . A 104 LEU HD21 . 18278 1 1176 . 1 1 104 104 LEU HD22 H 1 0.753 0.020 . 2 . . . A 104 LEU HD22 . 18278 1 1177 . 1 1 104 104 LEU HD23 H 1 0.753 0.020 . 2 . . . A 104 LEU HD23 . 18278 1 1178 . 1 1 104 104 LEU C C 13 174.583 0.400 . 1 . . . A 104 LEU C . 18278 1 1179 . 1 1 104 104 LEU CA C 13 54.245 0.400 . 1 . . . A 104 LEU CA . 18278 1 1180 . 1 1 104 104 LEU CB C 13 41.304 0.400 . 1 . . . A 104 LEU CB . 18278 1 1181 . 1 1 104 104 LEU CG C 13 28.644 0.400 . 1 . . . A 104 LEU CG . 18278 1 1182 . 1 1 104 104 LEU CD1 C 13 26.669 0.400 . 2 . . . A 104 LEU CD1 . 18278 1 1183 . 1 1 104 104 LEU CD2 C 13 23.993 0.400 . 2 . . . A 104 LEU CD2 . 18278 1 1184 . 1 1 104 104 LEU N N 15 127.496 0.400 . 1 . . . A 104 LEU N . 18278 1 1185 . 1 1 105 105 LEU H H 1 9.122 0.020 . 1 . . . A 105 LEU H . 18278 1 1186 . 1 1 105 105 LEU HA H 1 4.190 0.020 . 1 . . . A 105 LEU HA . 18278 1 1187 . 1 1 105 105 LEU HB2 H 1 1.629 0.020 . 2 . . . A 105 LEU HB2 . 18278 1 1188 . 1 1 105 105 LEU HB3 H 1 1.404 0.020 . 2 . . . A 105 LEU HB3 . 18278 1 1189 . 1 1 105 105 LEU HG H 1 1.668 0.020 . 1 . . . A 105 LEU HG . 18278 1 1190 . 1 1 105 105 LEU HD11 H 1 0.652 0.020 . 2 . . . A 105 LEU HD11 . 18278 1 1191 . 1 1 105 105 LEU HD12 H 1 0.652 0.020 . 2 . . . A 105 LEU HD12 . 18278 1 1192 . 1 1 105 105 LEU HD13 H 1 0.652 0.020 . 2 . . . A 105 LEU HD13 . 18278 1 1193 . 1 1 105 105 LEU HD21 H 1 0.749 0.020 . 2 . . . A 105 LEU HD21 . 18278 1 1194 . 1 1 105 105 LEU HD22 H 1 0.749 0.020 . 2 . . . A 105 LEU HD22 . 18278 1 1195 . 1 1 105 105 LEU HD23 H 1 0.749 0.020 . 2 . . . A 105 LEU HD23 . 18278 1 1196 . 1 1 105 105 LEU C C 13 177.789 0.400 . 1 . . . A 105 LEU C . 18278 1 1197 . 1 1 105 105 LEU CA C 13 57.198 0.400 . 1 . . . A 105 LEU CA . 18278 1 1198 . 1 1 105 105 LEU CB C 13 42.676 0.400 . 1 . . . A 105 LEU CB . 18278 1 1199 . 1 1 105 105 LEU CG C 13 27.918 0.400 . 1 . . . A 105 LEU CG . 18278 1 1200 . 1 1 105 105 LEU CD1 C 13 26.156 0.400 . 2 . . . A 105 LEU CD1 . 18278 1 1201 . 1 1 105 105 LEU CD2 C 13 22.695 0.400 . 2 . . . A 105 LEU CD2 . 18278 1 1202 . 1 1 105 105 LEU N N 15 129.426 0.400 . 1 . . . A 105 LEU N . 18278 1 1203 . 1 1 106 106 ARG H H 1 7.540 0.020 . 1 . . . A 106 ARG H . 18278 1 1204 . 1 1 106 106 ARG HA H 1 4.344 0.020 . 1 . . . A 106 ARG HA . 18278 1 1205 . 1 1 106 106 ARG HB2 H 1 1.758 0.020 . 2 . . . A 106 ARG HB2 . 18278 1 1206 . 1 1 106 106 ARG HB3 H 1 1.624 0.020 . 2 . . . A 106 ARG HB3 . 18278 1 1207 . 1 1 106 106 ARG HG2 H 1 1.302 0.020 . 2 . . . A 106 ARG HG2 . 18278 1 1208 . 1 1 106 106 ARG HG3 H 1 1.302 0.020 . 2 . . . A 106 ARG HG3 . 18278 1 1209 . 1 1 106 106 ARG HD2 H 1 3.070 0.020 . 2 . . . A 106 ARG HD2 . 18278 1 1210 . 1 1 106 106 ARG HD3 H 1 3.070 0.020 . 2 . . . A 106 ARG HD3 . 18278 1 1211 . 1 1 106 106 ARG C C 13 172.331 0.400 . 1 . . . A 106 ARG C . 18278 1 1212 . 1 1 106 106 ARG CA C 13 55.556 0.400 . 1 . . . A 106 ARG CA . 18278 1 1213 . 1 1 106 106 ARG CB C 13 33.157 0.400 . 1 . . . A 106 ARG CB . 18278 1 1214 . 1 1 106 106 ARG CG C 13 26.988 0.400 . 1 . . . A 106 ARG CG . 18278 1 1215 . 1 1 106 106 ARG CD C 13 43.413 0.400 . 1 . . . A 106 ARG CD . 18278 1 1216 . 1 1 106 106 ARG N N 15 111.747 0.400 . 1 . . . A 106 ARG N . 18278 1 1217 . 1 1 107 107 VAL H H 1 8.075 0.020 . 1 . . . A 107 VAL H . 18278 1 1218 . 1 1 107 107 VAL HA H 1 4.839 0.020 . 1 . . . A 107 VAL HA . 18278 1 1219 . 1 1 107 107 VAL HB H 1 1.608 0.020 . 1 . . . A 107 VAL HB . 18278 1 1220 . 1 1 107 107 VAL HG11 H 1 0.698 0.020 . 2 . . . A 107 VAL HG11 . 18278 1 1221 . 1 1 107 107 VAL HG12 H 1 0.698 0.020 . 2 . . . A 107 VAL HG12 . 18278 1 1222 . 1 1 107 107 VAL HG13 H 1 0.698 0.020 . 2 . . . A 107 VAL HG13 . 18278 1 1223 . 1 1 107 107 VAL HG21 H 1 0.565 0.020 . 2 . . . A 107 VAL HG21 . 18278 1 1224 . 1 1 107 107 VAL HG22 H 1 0.565 0.020 . 2 . . . A 107 VAL HG22 . 18278 1 1225 . 1 1 107 107 VAL HG23 H 1 0.565 0.020 . 2 . . . A 107 VAL HG23 . 18278 1 1226 . 1 1 107 107 VAL C C 13 175.030 0.400 . 1 . . . A 107 VAL C . 18278 1 1227 . 1 1 107 107 VAL CA C 13 60.719 0.400 . 1 . . . A 107 VAL CA . 18278 1 1228 . 1 1 107 107 VAL CB C 13 34.091 0.400 . 1 . . . A 107 VAL CB . 18278 1 1229 . 1 1 107 107 VAL CG1 C 13 21.748 0.400 . 2 . . . A 107 VAL CG1 . 18278 1 1230 . 1 1 107 107 VAL CG2 C 13 22.243 0.400 . 2 . . . A 107 VAL CG2 . 18278 1 1231 . 1 1 107 107 VAL N N 15 119.614 0.400 . 1 . . . A 107 VAL N . 18278 1 1232 . 1 1 108 108 GLU H H 1 9.225 0.020 . 1 . . . A 108 GLU H . 18278 1 1233 . 1 1 108 108 GLU HA H 1 4.236 0.020 . 1 . . . A 108 GLU HA . 18278 1 1234 . 1 1 108 108 GLU HB2 H 1 1.930 0.020 . 2 . . . A 108 GLU HB2 . 18278 1 1235 . 1 1 108 108 GLU HB3 H 1 1.664 0.020 . 2 . . . A 108 GLU HB3 . 18278 1 1236 . 1 1 108 108 GLU HG2 H 1 1.994 0.020 . 2 . . . A 108 GLU HG2 . 18278 1 1237 . 1 1 108 108 GLU HG3 H 1 1.843 0.020 . 2 . . . A 108 GLU HG3 . 18278 1 1238 . 1 1 108 108 GLU C C 13 180.482 0.400 . 1 . . . A 108 GLU C . 18278 1 1239 . 1 1 108 108 GLU CA C 13 56.852 0.400 . 1 . . . A 108 GLU CA . 18278 1 1240 . 1 1 108 108 GLU CB C 13 32.280 0.400 . 1 . . . A 108 GLU CB . 18278 1 1241 . 1 1 108 108 GLU CG C 13 36.691 0.400 . 1 . . . A 108 GLU CG . 18278 1 1242 . 1 1 108 108 GLU N N 15 131.741 0.400 . 1 . . . A 108 GLU N . 18278 1 stop_ save_