data_17150 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17150 _Entry.Title ; Solution Structure of cellobiose-specific phosphotransferase IIB component protein from Borrelia burgdorferi. Seattle Structure Genomics Center for Infectious Disease (SSGCID). ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-25 _Entry.Accession_date 2010-08-25 _Entry.Last_release_date 2010-09-16 _Entry.Original_release_date 2010-09-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Fan Yang . . . 17150 2 Ravi Barnwal . . . 17150 3 Gabriele Varani . . . 17150 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 . 'Seattle Structural Genomics Center for Infectious Disease (SSGCID)' 'Seattle Structural Genomics Center for Infectious Disease (SSGCID)' . 17150 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cellobiose-specific phosphotransferase IIB component' . 17150 'Structural Genomics, Seattle Structural Genomics Center for Infectious Disease, SSGCID,' . 17150 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17150 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 419 17150 '15N chemical shifts' 109 17150 '1H chemical shifts' 705 17150 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 . . 2010-09-16 2010-08-25 original author . 17150 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L2Q 'BMRB Entry Tracking System' 17150 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17150 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of cellobiose-specific phosphotransferase IIB component protein from Borrelia burgdorferi' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Fan Yang . . . 17150 1 2 Ravi Barnwal . . . 17150 1 3 Gabriele Varani . . . 17150 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17150 _Assembly.ID 1 _Assembly.Name phosphotransferase_IIB _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 phosphotransferase_IIB 1 $phosphotransferase_IIB A . yes native no no . . . 17150 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_phosphotransferase_IIB _Entity.Sf_category entity _Entity.Sf_framecode phosphotransferase_IIB _Entity.Entry_ID 17150 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name phosphotransferase_IIB _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 ; GPGSMNILLVCGAGMSTSML VQRIEKYAKSKNINATIEAI AETRLSEVVDRFDVVLLAPQ SRFNKKRLEEITKPKGIPIE IINTIDYGTMNGEKVLQLAI NAFNNKSSV ; _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 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11981.025 _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 2L2Q . "Solution Structure Of Cellobiose-Specific Phosphotransferase Iib Component Protein From Borrelia Burgdorferi" . . . . . 100.00 109 100.00 100.00 2.14e-71 . . . . 17150 1 2 no GB AAC66322 . "chitibiose transporter protein chbB [Borrelia burgdorferi B31]" . . . . . 83.49 91 100.00 100.00 1.09e-56 . . . . 17150 1 3 no GB AAD01257 . "unknown [Borrelia burgdorferi N40]" . . . . . 96.33 105 100.00 100.00 6.54e-68 . . . . 17150 1 4 no GB ACK75410 . "chitibiose transporter protein chbB [Borrelia burgdorferi ZS7]" . . . . . 96.33 105 100.00 100.00 6.54e-68 . . . . 17150 1 5 no GB ACL34270 . "chitibiose transporter protein chbB [Borrelia burgdorferi 156a]" . . . . . 96.33 105 98.10 100.00 2.40e-67 . . . . 17150 1 6 no GB ACM10275 . "lichenan-specific phosphotransferase enzyme iib component (pts system lichenan-specific eiib component) [Borrelia burgdorferi 7" . . . . . 96.33 105 98.10 99.05 1.37e-66 . . . . 17150 1 7 no REF NP_046992 . "chitibiose transporter protein ChbB [Borrelia burgdorferi B31]" . . . . . 83.49 91 100.00 100.00 1.09e-56 . . . . 17150 1 8 no REF WP_010258206 . "PTS sugar transporter subunit IIB [Borrelia burgdorferi]" . . . . . 96.33 105 99.05 100.00 1.14e-67 . . . . 17150 1 9 no REF WP_010890589 . "PTS sugar transporter subunit IIB [Borrelia burgdorferi]" . . . . . 83.49 91 100.00 100.00 1.09e-56 . . . . 17150 1 10 no REF WP_012593119 . "MULTISPECIES: PTS sugar transporter subunit IIB [Borrelia burgdorferi group]" . . . . . 96.33 105 100.00 100.00 6.54e-68 . . . . 17150 1 11 no REF WP_012622040 . "PTS sugar transporter subunit IIB [Borrelia burgdorferi]" . . . . . 96.33 105 98.10 100.00 2.40e-67 . . . . 17150 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 17150 1 2 . PRO . 17150 1 3 . GLY . 17150 1 4 . SER . 17150 1 5 . MET . 17150 1 6 . ASN . 17150 1 7 . ILE . 17150 1 8 . LEU . 17150 1 9 . LEU . 17150 1 10 . VAL . 17150 1 11 . CYS . 17150 1 12 . GLY . 17150 1 13 . ALA . 17150 1 14 . GLY . 17150 1 15 . MET . 17150 1 16 . SER . 17150 1 17 . THR . 17150 1 18 . SER . 17150 1 19 . MET . 17150 1 20 . LEU . 17150 1 21 . VAL . 17150 1 22 . GLN . 17150 1 23 . ARG . 17150 1 24 . ILE . 17150 1 25 . GLU . 17150 1 26 . LYS . 17150 1 27 . TYR . 17150 1 28 . ALA . 17150 1 29 . LYS . 17150 1 30 . SER . 17150 1 31 . LYS . 17150 1 32 . ASN . 17150 1 33 . ILE . 17150 1 34 . ASN . 17150 1 35 . ALA . 17150 1 36 . THR . 17150 1 37 . ILE . 17150 1 38 . GLU . 17150 1 39 . ALA . 17150 1 40 . ILE . 17150 1 41 . ALA . 17150 1 42 . GLU . 17150 1 43 . THR . 17150 1 44 . ARG . 17150 1 45 . LEU . 17150 1 46 . SER . 17150 1 47 . GLU . 17150 1 48 . VAL . 17150 1 49 . VAL . 17150 1 50 . ASP . 17150 1 51 . ARG . 17150 1 52 . PHE . 17150 1 53 . ASP . 17150 1 54 . VAL . 17150 1 55 . VAL . 17150 1 56 . LEU . 17150 1 57 . LEU . 17150 1 58 . ALA . 17150 1 59 . PRO . 17150 1 60 . GLN . 17150 1 61 . SER . 17150 1 62 . ARG . 17150 1 63 . PHE . 17150 1 64 . ASN . 17150 1 65 . LYS . 17150 1 66 . LYS . 17150 1 67 . ARG . 17150 1 68 . LEU . 17150 1 69 . GLU . 17150 1 70 . GLU . 17150 1 71 . ILE . 17150 1 72 . THR . 17150 1 73 . LYS . 17150 1 74 . PRO . 17150 1 75 . LYS . 17150 1 76 . GLY . 17150 1 77 . ILE . 17150 1 78 . PRO . 17150 1 79 . ILE . 17150 1 80 . GLU . 17150 1 81 . ILE . 17150 1 82 . ILE . 17150 1 83 . ASN . 17150 1 84 . THR . 17150 1 85 . ILE . 17150 1 86 . ASP . 17150 1 87 . TYR . 17150 1 88 . GLY . 17150 1 89 . THR . 17150 1 90 . MET . 17150 1 91 . ASN . 17150 1 92 . GLY . 17150 1 93 . GLU . 17150 1 94 . LYS . 17150 1 95 . VAL . 17150 1 96 . LEU . 17150 1 97 . GLN . 17150 1 98 . LEU . 17150 1 99 . ALA . 17150 1 100 . ILE . 17150 1 101 . ASN . 17150 1 102 . ALA . 17150 1 103 . PHE . 17150 1 104 . ASN . 17150 1 105 . ASN . 17150 1 106 . LYS . 17150 1 107 . SER . 17150 1 108 . SER . 17150 1 109 . VAL . 17150 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17150 1 . PRO 2 2 17150 1 . GLY 3 3 17150 1 . SER 4 4 17150 1 . MET 5 5 17150 1 . ASN 6 6 17150 1 . ILE 7 7 17150 1 . LEU 8 8 17150 1 . LEU 9 9 17150 1 . VAL 10 10 17150 1 . CYS 11 11 17150 1 . GLY 12 12 17150 1 . ALA 13 13 17150 1 . GLY 14 14 17150 1 . MET 15 15 17150 1 . SER 16 16 17150 1 . THR 17 17 17150 1 . SER 18 18 17150 1 . MET 19 19 17150 1 . LEU 20 20 17150 1 . VAL 21 21 17150 1 . GLN 22 22 17150 1 . ARG 23 23 17150 1 . ILE 24 24 17150 1 . GLU 25 25 17150 1 . LYS 26 26 17150 1 . TYR 27 27 17150 1 . ALA 28 28 17150 1 . LYS 29 29 17150 1 . SER 30 30 17150 1 . LYS 31 31 17150 1 . ASN 32 32 17150 1 . ILE 33 33 17150 1 . ASN 34 34 17150 1 . ALA 35 35 17150 1 . THR 36 36 17150 1 . ILE 37 37 17150 1 . GLU 38 38 17150 1 . ALA 39 39 17150 1 . ILE 40 40 17150 1 . ALA 41 41 17150 1 . GLU 42 42 17150 1 . THR 43 43 17150 1 . ARG 44 44 17150 1 . LEU 45 45 17150 1 . SER 46 46 17150 1 . GLU 47 47 17150 1 . VAL 48 48 17150 1 . VAL 49 49 17150 1 . ASP 50 50 17150 1 . ARG 51 51 17150 1 . PHE 52 52 17150 1 . ASP 53 53 17150 1 . VAL 54 54 17150 1 . VAL 55 55 17150 1 . LEU 56 56 17150 1 . LEU 57 57 17150 1 . ALA 58 58 17150 1 . PRO 59 59 17150 1 . GLN 60 60 17150 1 . SER 61 61 17150 1 . ARG 62 62 17150 1 . PHE 63 63 17150 1 . ASN 64 64 17150 1 . LYS 65 65 17150 1 . LYS 66 66 17150 1 . ARG 67 67 17150 1 . LEU 68 68 17150 1 . GLU 69 69 17150 1 . GLU 70 70 17150 1 . ILE 71 71 17150 1 . THR 72 72 17150 1 . LYS 73 73 17150 1 . PRO 74 74 17150 1 . LYS 75 75 17150 1 . GLY 76 76 17150 1 . ILE 77 77 17150 1 . PRO 78 78 17150 1 . ILE 79 79 17150 1 . GLU 80 80 17150 1 . ILE 81 81 17150 1 . ILE 82 82 17150 1 . ASN 83 83 17150 1 . THR 84 84 17150 1 . ILE 85 85 17150 1 . ASP 86 86 17150 1 . TYR 87 87 17150 1 . GLY 88 88 17150 1 . THR 89 89 17150 1 . MET 90 90 17150 1 . ASN 91 91 17150 1 . GLY 92 92 17150 1 . GLU 93 93 17150 1 . LYS 94 94 17150 1 . VAL 95 95 17150 1 . LEU 96 96 17150 1 . GLN 97 97 17150 1 . LEU 98 98 17150 1 . ALA 99 99 17150 1 . ILE 100 100 17150 1 . ASN 101 101 17150 1 . ALA 102 102 17150 1 . PHE 103 103 17150 1 . ASN 104 104 17150 1 . ASN 105 105 17150 1 . LYS 106 106 17150 1 . SER 107 107 17150 1 . SER 108 108 17150 1 . VAL 109 109 17150 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 17150 _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 $phosphotransferase_IIB . 139 organism . 'Borrelia burgdorferi' spirochetes . . Bacteria . Borrelia burgdorferi . . . . . . . . . . . . . . . . . . . . . 17150 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 17150 _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 $phosphotransferase_IIB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'Ava Vector' . . . . . . 17150 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17150 _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 phosphotransferase_IIB '[U-95% 15N]' . . 1 $phosphotransferase_IIB . . 1.2 . . mM . . . . 17150 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17150 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17150 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17150 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17150 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17150 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17150 _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 phosphotransferase_IIB '[U-95% 13C; U-95% 15N]' . . 1 $phosphotransferase_IIB . . 1.2 . . mM . . . . 17150 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17150 2 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17150 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17150 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17150 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17150 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17150 _Sample.ID 3 _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 phosphotransferase_IIB 'natural abundance' . . 1 $phosphotransferase_IIB . . 1.1 . . mM . . . . 17150 3 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17150 3 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17150 3 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17150 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17150 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17150 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 17150 _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 7.0 . pH 17150 1 pressure 1 . atm 17150 1 temperature 298 . K 17150 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17150 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17150 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17150 1 'structure solution' 17150 1 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 17150 _Software.ID 2 _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' . . 17150 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure display' 17150 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17150 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17150 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17150 3 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 17150 _Software.ID 4 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17150 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17150 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17150 _Software.ID 5 _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' . . 17150 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17150 5 stop_ save_ save_SANE _Software.Sf_category software _Software.Sf_framecode SANE _Software.Entry_ID 17150 _Software.ID 6 _Software.Name SANE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Duggan, Legge, Dyson & Wright' . . 17150 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17150 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17150 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17150 _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 17150 _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 AMX . 500 . . . 17150 1 2 spectrometer_2 Bruker Avance . 600 . . . 17150 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 17150 _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 . . . . . . . . . . . . . . . . . . . . . 17150 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17150 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17150 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17150 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17150 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17150 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17150 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17150 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17150 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17150 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17150 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 17150 _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 . . . . . . . . . 17150 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17150 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17150 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 17150 _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' . . . 17150 1 2 '2D 1H-13C HSQC' . . . 17150 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $CcpNMR . . 17150 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA3 H 1 3.974 0.000 . 2 . . . . 1 G HA3 . 17150 1 2 . 1 1 1 1 GLY CA C 13 43.300 0.000 . 1 . . . . 1 G CA . 17150 1 3 . 1 1 2 2 PRO HA H 1 4.474 0.000 . 1 . . . . 2 P HA . 17150 1 4 . 1 1 2 2 PRO HB2 H 1 2.296 0.000 . 2 . . . . 2 P HB2 . 17150 1 5 . 1 1 2 2 PRO HB3 H 1 1.963 0.000 . 2 . . . . 2 P HB3 . 17150 1 6 . 1 1 2 2 PRO HD2 H 1 2.038 0.000 . 2 . . . . 2 P HD2 . 17150 1 7 . 1 1 2 2 PRO HD3 H 1 3.578 0.000 . 2 . . . . 2 P HD3 . 17150 1 8 . 1 1 2 2 PRO HG2 H 1 2.043 0.000 . 2 . . . . 2 P HG2 . 17150 1 9 . 1 1 2 2 PRO HG3 H 1 2.014 0.000 . 2 . . . . 2 P HG3 . 17150 1 10 . 1 1 2 2 PRO C C 13 177.548 0.000 . 1 . . . . 2 P C . 17150 1 11 . 1 1 2 2 PRO CA C 13 63.551 0.140 . 1 . . . . 2 P CA . 17150 1 12 . 1 1 2 2 PRO CB C 13 31.986 0.022 . 1 . . . . 2 P CB . 17150 1 13 . 1 1 2 2 PRO CD C 13 49.517 0.039 . 1 . . . . 2 P CD . 17150 1 14 . 1 1 2 2 PRO CG C 13 27.225 0.009 . 1 . . . . 2 P CG . 17150 1 15 . 1 1 3 3 GLY H H 1 8.785 0.002 . 1 . . . . 3 G H . 17150 1 16 . 1 1 3 3 GLY HA2 H 1 3.984 0.009 . 2 . . . . 3 G HA2 . 17150 1 17 . 1 1 3 3 GLY HA3 H 1 3.976 0.000 . 2 . . . . 3 G HA3 . 17150 1 18 . 1 1 3 3 GLY C C 13 173.776 0.000 . 1 . . . . 3 G C . 17150 1 19 . 1 1 3 3 GLY CA C 13 45.259 0.040 . 1 . . . . 3 G CA . 17150 1 20 . 1 1 3 3 GLY N N 15 111.025 0.027 . 1 . . . . 3 G N . 17150 1 21 . 1 1 4 4 SER H H 1 7.883 0.001 . 1 . . . . 4 S H . 17150 1 22 . 1 1 4 4 SER HA H 1 4.475 0.008 . 1 . . . . 4 S HA . 17150 1 23 . 1 1 4 4 SER HB2 H 1 3.617 0.000 . 2 . . . . 4 S HB2 . 17150 1 24 . 1 1 4 4 SER HB3 H 1 3.625 0.007 . 2 . . . . 4 S HB3 . 17150 1 25 . 1 1 4 4 SER C C 13 173.144 0.000 . 1 . . . . 4 S C . 17150 1 26 . 1 1 4 4 SER CA C 13 57.548 0.063 . 1 . . . . 4 S CA . 17150 1 27 . 1 1 4 4 SER CB C 13 64.404 0.064 . 1 . . . . 4 S CB . 17150 1 28 . 1 1 4 4 SER N N 15 115.051 0.031 . 1 . . . . 4 S N . 17150 1 29 . 1 1 5 5 MET H H 1 7.919 0.001 . 1 . . . . 5 M H . 17150 1 30 . 1 1 5 5 MET HA H 1 4.322 0.009 . 1 . . . . 5 M HA . 17150 1 31 . 1 1 5 5 MET HB2 H 1 1.642 0.001 . 2 . . . . 5 M HB2 . 17150 1 32 . 1 1 5 5 MET HB3 H 1 1.551 0.001 . 2 . . . . 5 M HB3 . 17150 1 33 . 1 1 5 5 MET HE1 H 1 1.656 0.000 . 1 . . . . 5 M QE . 17150 1 34 . 1 1 5 5 MET HE2 H 1 1.656 0.000 . 1 . . . . 5 M QE . 17150 1 35 . 1 1 5 5 MET HE3 H 1 1.656 0.000 . 1 . . . . 5 M QE . 17150 1 36 . 1 1 5 5 MET HG2 H 1 1.749 0.000 . 2 . . . . 5 M HG2 . 17150 1 37 . 1 1 5 5 MET HG3 H 1 1.760 0.001 . 2 . . . . 5 M HG3 . 17150 1 38 . 1 1 5 5 MET C C 13 173.728 0.000 . 1 . . . . 5 M C . 17150 1 39 . 1 1 5 5 MET CA C 13 55.079 0.051 . 1 . . . . 5 M CA . 17150 1 40 . 1 1 5 5 MET CB C 13 34.595 0.047 . 1 . . . . 5 M CB . 17150 1 41 . 1 1 5 5 MET CE C 13 16.729 0.054 . 1 . . . . 5 M CE . 17150 1 42 . 1 1 5 5 MET CG C 13 30.877 0.224 . 1 . . . . 5 M CG . 17150 1 43 . 1 1 5 5 MET N N 15 121.723 0.032 . 1 . . . . 5 M N . 17150 1 44 . 1 1 6 6 ASN H H 1 10.070 0.003 . 1 . . . . 6 N H . 17150 1 45 . 1 1 6 6 ASN HA H 1 5.405 0.007 . 1 . . . . 6 N HA . 17150 1 46 . 1 1 6 6 ASN HB2 H 1 2.485 0.003 . 2 . . . . 6 N HB2 . 17150 1 47 . 1 1 6 6 ASN HB3 H 1 2.713 0.004 . 2 . . . . 6 N HB3 . 17150 1 48 . 1 1 6 6 ASN HD21 H 1 6.524 0.000 . 2 . . . . 6 N HD21 . 17150 1 49 . 1 1 6 6 ASN HD22 H 1 7.498 0.000 . 2 . . . . 6 N HD22 . 17150 1 50 . 1 1 6 6 ASN C C 13 174.692 0.000 . 1 . . . . 6 N C . 17150 1 51 . 1 1 6 6 ASN CA C 13 52.475 0.040 . 1 . . . . 6 N CA . 17150 1 52 . 1 1 6 6 ASN CB C 13 39.724 0.086 . 1 . . . . 6 N CB . 17150 1 53 . 1 1 6 6 ASN N N 15 126.755 0.030 . 1 . . . . 6 N N . 17150 1 54 . 1 1 6 6 ASN ND2 N 15 115.309 0.002 . 1 . . . . 6 N ND2 . 17150 1 55 . 1 1 7 7 ILE H H 1 9.506 0.011 . 1 . . . . 7 I H . 17150 1 56 . 1 1 7 7 ILE HA H 1 4.508 0.011 . 1 . . . . 7 I HA . 17150 1 57 . 1 1 7 7 ILE HB H 1 1.902 0.006 . 1 . . . . 7 I HB . 17150 1 58 . 1 1 7 7 ILE HD11 H 1 0.645 0.001 . 1 . . . . 7 I QD1 . 17150 1 59 . 1 1 7 7 ILE HD12 H 1 0.645 0.001 . 1 . . . . 7 I QD1 . 17150 1 60 . 1 1 7 7 ILE HD13 H 1 0.645 0.001 . 1 . . . . 7 I QD1 . 17150 1 61 . 1 1 7 7 ILE HG12 H 1 0.653 0.000 . 2 . . . . 7 I HG12 . 17150 1 62 . 1 1 7 7 ILE HG13 H 1 1.625 0.000 . 2 . . . . 7 I HG13 . 17150 1 63 . 1 1 7 7 ILE HG21 H 1 0.674 0.001 . 1 . . . . 7 I QG2 . 17150 1 64 . 1 1 7 7 ILE HG22 H 1 0.674 0.001 . 1 . . . . 7 I QG2 . 17150 1 65 . 1 1 7 7 ILE HG23 H 1 0.674 0.001 . 1 . . . . 7 I QG2 . 17150 1 66 . 1 1 7 7 ILE C C 13 172.552 0.000 . 1 . . . . 7 I C . 17150 1 67 . 1 1 7 7 ILE CA C 13 60.919 0.118 . 1 . . . . 7 I CA . 17150 1 68 . 1 1 7 7 ILE CB C 13 40.328 0.029 . 1 . . . . 7 I CB . 17150 1 69 . 1 1 7 7 ILE CD1 C 13 14.249 0.012 . 1 . . . . 7 I CD1 . 17150 1 70 . 1 1 7 7 ILE CG1 C 13 27.489 0.013 . 1 . . . . 7 I CG1 . 17150 1 71 . 1 1 7 7 ILE CG2 C 13 17.309 0.035 . 1 . . . . 7 I CG2 . 17150 1 72 . 1 1 7 7 ILE N N 15 128.601 0.034 . 1 . . . . 7 I N . 17150 1 73 . 1 1 8 8 LEU H H 1 8.493 0.002 . 1 . . . . 8 L H . 17150 1 74 . 1 1 8 8 LEU HA H 1 4.552 0.016 . 1 . . . . 8 L HA . 17150 1 75 . 1 1 8 8 LEU HB2 H 1 0.125 0.000 . 2 . . . . 8 L HB2 . 17150 1 76 . 1 1 8 8 LEU HB3 H 1 1.475 0.000 . 2 . . . . 8 L HB3 . 17150 1 77 . 1 1 8 8 LEU HD11 H 1 0.295 0.002 . 2 . . . . 8 L QD1 . 17150 1 78 . 1 1 8 8 LEU HD12 H 1 0.295 0.002 . 2 . . . . 8 L QD1 . 17150 1 79 . 1 1 8 8 LEU HD13 H 1 0.295 0.002 . 2 . . . . 8 L QD1 . 17150 1 80 . 1 1 8 8 LEU HD21 H 1 -0.037 0.003 . 2 . . . . 8 L QD2 . 17150 1 81 . 1 1 8 8 LEU HD22 H 1 -0.037 0.003 . 2 . . . . 8 L QD2 . 17150 1 82 . 1 1 8 8 LEU HD23 H 1 -0.037 0.003 . 2 . . . . 8 L QD2 . 17150 1 83 . 1 1 8 8 LEU HG H 1 0.821 0.000 . 1 . . . . 8 L HG . 17150 1 84 . 1 1 8 8 LEU C C 13 173.874 0.000 . 1 . . . . 8 L C . 17150 1 85 . 1 1 8 8 LEU CA C 13 52.282 0.081 . 1 . . . . 8 L CA . 17150 1 86 . 1 1 8 8 LEU CB C 13 43.345 0.053 . 1 . . . . 8 L CB . 17150 1 87 . 1 1 8 8 LEU CD1 C 13 26.330 0.013 . 2 . . . . 8 L CD1 . 17150 1 88 . 1 1 8 8 LEU CD2 C 13 22.005 0.052 . 2 . . . . 8 L CD2 . 17150 1 89 . 1 1 8 8 LEU CG C 13 26.067 0.000 . 1 . . . . 8 L CG . 17150 1 90 . 1 1 8 8 LEU N N 15 129.700 0.038 . 1 . . . . 8 L N . 17150 1 91 . 1 1 9 9 LEU H H 1 9.134 0.004 . 1 . . . . 9 L H . 17150 1 92 . 1 1 9 9 LEU HA H 1 5.063 0.007 . 1 . . . . 9 L HA . 17150 1 93 . 1 1 9 9 LEU HB2 H 1 1.586 0.001 . 2 . . . . 9 L HB2 . 17150 1 94 . 1 1 9 9 LEU HB3 H 1 1.134 0.001 . 2 . . . . 9 L HB3 . 17150 1 95 . 1 1 9 9 LEU HD11 H 1 0.720 0.000 . 2 . . . . 9 L QD1 . 17150 1 96 . 1 1 9 9 LEU HD12 H 1 0.720 0.000 . 2 . . . . 9 L QD1 . 17150 1 97 . 1 1 9 9 LEU HD13 H 1 0.720 0.000 . 2 . . . . 9 L QD1 . 17150 1 98 . 1 1 9 9 LEU HD21 H 1 0.749 0.000 . 2 . . . . 9 L QD2 . 17150 1 99 . 1 1 9 9 LEU HD22 H 1 0.749 0.000 . 2 . . . . 9 L QD2 . 17150 1 100 . 1 1 9 9 LEU HD23 H 1 0.749 0.000 . 2 . . . . 9 L QD2 . 17150 1 101 . 1 1 9 9 LEU HG H 1 1.468 0.000 . 1 . . . . 9 L HG . 17150 1 102 . 1 1 9 9 LEU C C 13 174.744 0.000 . 1 . . . . 9 L C . 17150 1 103 . 1 1 9 9 LEU CA C 13 53.070 0.074 . 1 . . . . 9 L CA . 17150 1 104 . 1 1 9 9 LEU CB C 13 44.103 0.051 . 1 . . . . 9 L CB . 17150 1 105 . 1 1 9 9 LEU CD1 C 13 25.035 0.086 . 2 . . . . 9 L CD1 . 17150 1 106 . 1 1 9 9 LEU CD2 C 13 25.801 0.000 . 2 . . . . 9 L CD2 . 17150 1 107 . 1 1 9 9 LEU CG C 13 28.521 0.000 . 1 . . . . 9 L CG . 17150 1 108 . 1 1 9 9 LEU N N 15 128.496 0.031 . 1 . . . . 9 L N . 17150 1 109 . 1 1 10 10 VAL H H 1 8.934 0.002 . 1 . . . . 10 V H . 17150 1 110 . 1 1 10 10 VAL HA H 1 4.648 0.000 . 1 . . . . 10 V HA . 17150 1 111 . 1 1 10 10 VAL HB H 1 2.033 0.004 . 1 . . . . 10 V HB . 17150 1 112 . 1 1 10 10 VAL HG11 H 1 0.627 0.003 . 2 . . . . 10 V QG1 . 17150 1 113 . 1 1 10 10 VAL HG12 H 1 0.627 0.003 . 2 . . . . 10 V QG1 . 17150 1 114 . 1 1 10 10 VAL HG13 H 1 0.627 0.003 . 2 . . . . 10 V QG1 . 17150 1 115 . 1 1 10 10 VAL HG21 H 1 0.786 0.000 . 2 . . . . 10 V QG2 . 17150 1 116 . 1 1 10 10 VAL HG22 H 1 0.786 0.000 . 2 . . . . 10 V QG2 . 17150 1 117 . 1 1 10 10 VAL HG23 H 1 0.786 0.000 . 2 . . . . 10 V QG2 . 17150 1 118 . 1 1 10 10 VAL C C 13 175.064 0.000 . 1 . . . . 10 V C . 17150 1 119 . 1 1 10 10 VAL CA C 13 61.397 0.033 . 1 . . . . 10 V CA . 17150 1 120 . 1 1 10 10 VAL CB C 13 31.414 0.007 . 1 . . . . 10 V CB . 17150 1 121 . 1 1 10 10 VAL CG1 C 13 22.514 0.075 . 2 . . . . 10 V CG1 . 17150 1 122 . 1 1 10 10 VAL CG2 C 13 21.607 0.030 . 2 . . . . 10 V CG2 . 17150 1 123 . 1 1 10 10 VAL N N 15 126.733 0.037 . 1 . . . . 10 V N . 17150 1 124 . 1 1 11 11 CYS H H 1 8.406 0.002 . 1 . . . . 11 C H . 17150 1 125 . 1 1 11 11 CYS HA H 1 4.722 0.000 . 1 . . . . 11 C HA . 17150 1 126 . 1 1 11 11 CYS HB2 H 1 2.854 0.001 . 2 . . . . 11 C HB2 . 17150 1 127 . 1 1 11 11 CYS HB3 H 1 2.723 0.001 . 2 . . . . 11 C HB3 . 17150 1 128 . 1 1 11 11 CYS C C 13 173.533 0.000 . 1 . . . . 11 C C . 17150 1 129 . 1 1 11 11 CYS CA C 13 57.016 0.031 . 1 . . . . 11 C CA . 17150 1 130 . 1 1 11 11 CYS CB C 13 30.334 0.110 . 1 . . . . 11 C CB . 17150 1 131 . 1 1 11 11 CYS N N 15 123.890 0.016 . 1 . . . . 11 C N . 17150 1 132 . 1 1 12 12 GLY H H 1 8.226 0.004 . 1 . . . . 12 G H . 17150 1 133 . 1 1 12 12 GLY HA2 H 1 4.156 0.006 . 2 . . . . 12 G HA2 . 17150 1 134 . 1 1 12 12 GLY HA3 H 1 3.798 0.004 . 2 . . . . 12 G HA3 . 17150 1 135 . 1 1 12 12 GLY C C 13 173.347 0.000 . 1 . . . . 12 G C . 17150 1 136 . 1 1 12 12 GLY CA C 13 44.864 0.081 . 1 . . . . 12 G CA . 17150 1 137 . 1 1 12 12 GLY N N 15 109.731 0.028 . 1 . . . . 12 G N . 17150 1 138 . 1 1 13 13 ALA H H 1 8.567 0.002 . 1 . . . . 13 A H . 17150 1 139 . 1 1 13 13 ALA HA H 1 4.277 0.013 . 1 . . . . 13 A HA . 17150 1 140 . 1 1 13 13 ALA HB1 H 1 1.410 0.010 . 1 . . . . 13 A QB . 17150 1 141 . 1 1 13 13 ALA HB2 H 1 1.410 0.010 . 1 . . . . 13 A QB . 17150 1 142 . 1 1 13 13 ALA HB3 H 1 1.410 0.010 . 1 . . . . 13 A QB . 17150 1 143 . 1 1 13 13 ALA C C 13 178.438 0.000 . 1 . . . . 13 A C . 17150 1 144 . 1 1 13 13 ALA CA C 13 52.948 0.092 . 1 . . . . 13 A CA . 17150 1 145 . 1 1 13 13 ALA CB C 13 19.049 0.044 . 1 . . . . 13 A CB . 17150 1 146 . 1 1 13 13 ALA N N 15 124.213 0.023 . 1 . . . . 13 A N . 17150 1 147 . 1 1 14 14 GLY H H 1 8.687 0.004 . 1 . . . . 14 G H . 17150 1 148 . 1 1 14 14 GLY HA2 H 1 3.857 0.000 . 2 . . . . 14 G HA2 . 17150 1 149 . 1 1 14 14 GLY HA3 H 1 4.254 0.000 . 2 . . . . 14 G HA3 . 17150 1 150 . 1 1 14 14 GLY CA C 13 45.399 0.033 . 1 . . . . 14 G CA . 17150 1 151 . 1 1 14 14 GLY N N 15 109.023 0.004 . 1 . . . . 14 G N . 17150 1 152 . 1 1 17 17 THR HB H 1 4.345 0.000 . 1 . . . . 17 T HB . 17150 1 153 . 1 1 17 17 THR HG21 H 1 1.147 0.000 . 1 . . . . 17 T QG2 . 17150 1 154 . 1 1 17 17 THR HG22 H 1 1.147 0.000 . 1 . . . . 17 T QG2 . 17150 1 155 . 1 1 17 17 THR HG23 H 1 1.147 0.000 . 1 . . . . 17 T QG2 . 17150 1 156 . 1 1 17 17 THR CB C 13 69.275 0.000 . 1 . . . . 17 T CB . 17150 1 157 . 1 1 17 17 THR CG2 C 13 22.659 0.000 . 1 . . . . 17 T CG2 . 17150 1 158 . 1 1 18 18 SER HB3 H 1 4.181 0.000 . 2 . . . . 18 S HB3 . 17150 1 159 . 1 1 19 19 MET C C 13 177.881 0.000 . 1 . . . . 19 M C . 17150 1 160 . 1 1 20 20 LEU H H 1 8.046 0.002 . 1 . . . . 20 L H . 17150 1 161 . 1 1 20 20 LEU HA H 1 3.922 0.011 . 1 . . . . 20 L HA . 17150 1 162 . 1 1 20 20 LEU HB2 H 1 1.845 0.002 . 2 . . . . 20 L HB2 . 17150 1 163 . 1 1 20 20 LEU HB3 H 1 1.420 0.002 . 2 . . . . 20 L HB3 . 17150 1 164 . 1 1 20 20 LEU HD11 H 1 0.689 0.000 . 2 . . . . 20 L QD1 . 17150 1 165 . 1 1 20 20 LEU HD12 H 1 0.689 0.000 . 2 . . . . 20 L QD1 . 17150 1 166 . 1 1 20 20 LEU HD13 H 1 0.689 0.000 . 2 . . . . 20 L QD1 . 17150 1 167 . 1 1 20 20 LEU HD21 H 1 0.671 0.008 . 2 . . . . 20 L QD2 . 17150 1 168 . 1 1 20 20 LEU HD22 H 1 0.671 0.008 . 2 . . . . 20 L QD2 . 17150 1 169 . 1 1 20 20 LEU HD23 H 1 0.671 0.008 . 2 . . . . 20 L QD2 . 17150 1 170 . 1 1 20 20 LEU HG H 1 0.809 0.000 . 1 . . . . 20 L HG . 17150 1 171 . 1 1 20 20 LEU C C 13 178.158 0.000 . 1 . . . . 20 L C . 17150 1 172 . 1 1 20 20 LEU CA C 13 58.517 0.030 . 1 . . . . 20 L CA . 17150 1 173 . 1 1 20 20 LEU CB C 13 41.093 0.089 . 1 . . . . 20 L CB . 17150 1 174 . 1 1 20 20 LEU CD1 C 13 21.658 0.000 . 2 . . . . 20 L CD1 . 17150 1 175 . 1 1 20 20 LEU CD2 C 13 22.400 0.000 . 2 . . . . 20 L CD2 . 17150 1 176 . 1 1 20 20 LEU CG C 13 26.645 0.000 . 1 . . . . 20 L CG . 17150 1 177 . 1 1 20 20 LEU N N 15 121.197 0.015 . 1 . . . . 20 L N . 17150 1 178 . 1 1 21 21 VAL H H 1 8.225 0.002 . 1 . . . . 21 V H . 17150 1 179 . 1 1 21 21 VAL HA H 1 3.343 0.006 . 1 . . . . 21 V HA . 17150 1 180 . 1 1 21 21 VAL HB H 1 2.154 0.000 . 1 . . . . 21 V HB . 17150 1 181 . 1 1 21 21 VAL HG11 H 1 0.941 0.003 . 2 . . . . 21 V QG1 . 17150 1 182 . 1 1 21 21 VAL HG12 H 1 0.941 0.003 . 2 . . . . 21 V QG1 . 17150 1 183 . 1 1 21 21 VAL HG13 H 1 0.941 0.003 . 2 . . . . 21 V QG1 . 17150 1 184 . 1 1 21 21 VAL HG21 H 1 0.894 0.001 . 2 . . . . 21 V QG2 . 17150 1 185 . 1 1 21 21 VAL HG22 H 1 0.894 0.001 . 2 . . . . 21 V QG2 . 17150 1 186 . 1 1 21 21 VAL HG23 H 1 0.894 0.001 . 2 . . . . 21 V QG2 . 17150 1 187 . 1 1 21 21 VAL C C 13 177.585 0.000 . 1 . . . . 21 V C . 17150 1 188 . 1 1 21 21 VAL CA C 13 67.928 0.059 . 1 . . . . 21 V CA . 17150 1 189 . 1 1 21 21 VAL CB C 13 31.530 0.088 . 1 . . . . 21 V CB . 17150 1 190 . 1 1 21 21 VAL CG1 C 13 23.477 0.076 . 2 . . . . 21 V CG1 . 17150 1 191 . 1 1 21 21 VAL CG2 C 13 21.050 0.211 . 2 . . . . 21 V CG2 . 17150 1 192 . 1 1 21 21 VAL N N 15 117.949 0.023 . 1 . . . . 21 V N . 17150 1 193 . 1 1 22 22 GLN H H 1 7.982 0.001 . 1 . . . . 22 Q H . 17150 1 194 . 1 1 22 22 GLN HA H 1 4.232 0.004 . 1 . . . . 22 Q HA . 17150 1 195 . 1 1 22 22 GLN HB2 H 1 2.226 0.000 . 2 . . . . 22 Q HB2 . 17150 1 196 . 1 1 22 22 GLN HB3 H 1 2.238 0.001 . 2 . . . . 22 Q HB3 . 17150 1 197 . 1 1 22 22 GLN HE21 H 1 6.871 0.000 . 2 . . . . 22 Q HE21 . 17150 1 198 . 1 1 22 22 GLN HE22 H 1 7.500 0.000 . 2 . . . . 22 Q HE22 . 17150 1 199 . 1 1 22 22 GLN HG2 H 1 2.627 0.001 . 2 . . . . 22 Q HG2 . 17150 1 200 . 1 1 22 22 GLN HG3 H 1 2.433 0.000 . 2 . . . . 22 Q HG3 . 17150 1 201 . 1 1 22 22 GLN C C 13 179.356 0.000 . 1 . . . . 22 Q C . 17150 1 202 . 1 1 22 22 GLN CA C 13 59.252 0.079 . 1 . . . . 22 Q CA . 17150 1 203 . 1 1 22 22 GLN CB C 13 28.600 0.089 . 1 . . . . 22 Q CB . 17150 1 204 . 1 1 22 22 GLN CG C 13 34.349 0.163 . 1 . . . . 22 Q CG . 17150 1 205 . 1 1 22 22 GLN N N 15 117.483 0.028 . 1 . . . . 22 Q N . 17150 1 206 . 1 1 22 22 GLN NE2 N 15 111.588 0.003 . 1 . . . . 22 Q NE2 . 17150 1 207 . 1 1 23 23 ARG H H 1 8.261 0.002 . 1 . . . . 23 R H . 17150 1 208 . 1 1 23 23 ARG HA H 1 4.119 0.005 . 1 . . . . 23 R HA . 17150 1 209 . 1 1 23 23 ARG HD2 H 1 3.451 0.001 . 2 . . . . 23 R HD2 . 17150 1 210 . 1 1 23 23 ARG HD3 H 1 3.313 0.002 . 2 . . . . 23 R HD3 . 17150 1 211 . 1 1 23 23 ARG HG2 H 1 1.865 0.000 . 2 . . . . 23 R HG2 . 17150 1 212 . 1 1 23 23 ARG HG3 H 1 2.098 0.000 . 2 . . . . 23 R HG3 . 17150 1 213 . 1 1 23 23 ARG C C 13 180.162 0.000 . 1 . . . . 23 R C . 17150 1 214 . 1 1 23 23 ARG CA C 13 59.535 0.021 . 1 . . . . 23 R CA . 17150 1 215 . 1 1 23 23 ARG CB C 13 30.128 0.045 . 1 . . . . 23 R CB . 17150 1 216 . 1 1 23 23 ARG CD C 13 43.739 0.039 . 1 . . . . 23 R CD . 17150 1 217 . 1 1 23 23 ARG CG C 13 28.299 0.015 . 1 . . . . 23 R CG . 17150 1 218 . 1 1 23 23 ARG N N 15 119.066 0.033 . 1 . . . . 23 R N . 17150 1 219 . 1 1 24 24 ILE H H 1 8.489 0.004 . 1 . . . . 24 I H . 17150 1 220 . 1 1 24 24 ILE HA H 1 3.584 0.009 . 1 . . . . 24 I HA . 17150 1 221 . 1 1 24 24 ILE HB H 1 1.980 0.009 . 1 . . . . 24 I HB . 17150 1 222 . 1 1 24 24 ILE HD11 H 1 0.696 0.001 . 1 . . . . 24 I QD1 . 17150 1 223 . 1 1 24 24 ILE HD12 H 1 0.696 0.001 . 1 . . . . 24 I QD1 . 17150 1 224 . 1 1 24 24 ILE HD13 H 1 0.696 0.001 . 1 . . . . 24 I QD1 . 17150 1 225 . 1 1 24 24 ILE HG13 H 1 1.975 0.000 . 2 . . . . 24 I HG13 . 17150 1 226 . 1 1 24 24 ILE HG21 H 1 0.851 0.001 . 1 . . . . 24 I QG2 . 17150 1 227 . 1 1 24 24 ILE HG22 H 1 0.851 0.001 . 1 . . . . 24 I QG2 . 17150 1 228 . 1 1 24 24 ILE HG23 H 1 0.851 0.001 . 1 . . . . 24 I QG2 . 17150 1 229 . 1 1 24 24 ILE C C 13 177.217 0.000 . 1 . . . . 24 I C . 17150 1 230 . 1 1 24 24 ILE CA C 13 66.292 0.161 . 1 . . . . 24 I CA . 17150 1 231 . 1 1 24 24 ILE CB C 13 38.145 0.029 . 1 . . . . 24 I CB . 17150 1 232 . 1 1 24 24 ILE CD1 C 13 15.314 0.105 . 1 . . . . 24 I CD1 . 17150 1 233 . 1 1 24 24 ILE CG1 C 13 29.690 0.000 . 1 . . . . 24 I CG1 . 17150 1 234 . 1 1 24 24 ILE CG2 C 13 18.198 0.084 . 1 . . . . 24 I CG2 . 17150 1 235 . 1 1 24 24 ILE N N 15 121.985 0.019 . 1 . . . . 24 I N . 17150 1 236 . 1 1 25 25 GLU H H 1 8.681 0.001 . 1 . . . . 25 E H . 17150 1 237 . 1 1 25 25 GLU HA H 1 3.899 0.007 . 1 . . . . 25 E HA . 17150 1 238 . 1 1 25 25 GLU HB2 H 1 2.303 0.001 . 2 . . . . 25 E HB2 . 17150 1 239 . 1 1 25 25 GLU HB3 H 1 2.012 0.003 . 2 . . . . 25 E HB3 . 17150 1 240 . 1 1 25 25 GLU HG2 H 1 2.586 0.001 . 2 . . . . 25 E HG2 . 17150 1 241 . 1 1 25 25 GLU HG3 H 1 2.201 0.003 . 2 . . . . 25 E HG3 . 17150 1 242 . 1 1 25 25 GLU C C 13 179.503 0.000 . 1 . . . . 25 E C . 17150 1 243 . 1 1 25 25 GLU CA C 13 60.200 0.156 . 1 . . . . 25 E CA . 17150 1 244 . 1 1 25 25 GLU CB C 13 30.052 0.034 . 1 . . . . 25 E CB . 17150 1 245 . 1 1 25 25 GLU CG C 13 37.252 0.145 . 1 . . . . 25 E CG . 17150 1 246 . 1 1 25 25 GLU N N 15 119.536 0.010 . 1 . . . . 25 E N . 17150 1 247 . 1 1 26 26 LYS H H 1 8.438 0.001 . 1 . . . . 26 K H . 17150 1 248 . 1 1 26 26 LYS HA H 1 4.063 0.006 . 1 . . . . 26 K HA . 17150 1 249 . 1 1 26 26 LYS HB2 H 1 2.007 0.000 . 2 . . . . 26 K HB2 . 17150 1 250 . 1 1 26 26 LYS HB3 H 1 1.926 0.001 . 2 . . . . 26 K HB3 . 17150 1 251 . 1 1 26 26 LYS HG2 H 1 1.607 0.005 . 2 . . . . 26 K HG2 . 17150 1 252 . 1 1 26 26 LYS HG3 H 1 1.443 0.008 . 2 . . . . 26 K HG3 . 17150 1 253 . 1 1 26 26 LYS C C 13 179.594 0.000 . 1 . . . . 26 K C . 17150 1 254 . 1 1 26 26 LYS CA C 13 59.601 0.127 . 1 . . . . 26 K CA . 17150 1 255 . 1 1 26 26 LYS CB C 13 32.640 0.029 . 1 . . . . 26 K CB . 17150 1 256 . 1 1 26 26 LYS CG C 13 25.237 0.067 . 1 . . . . 26 K CG . 17150 1 257 . 1 1 26 26 LYS N N 15 118.911 0.007 . 1 . . . . 26 K N . 17150 1 258 . 1 1 27 27 TYR H H 1 7.946 0.002 . 1 . . . . 27 Y H . 17150 1 259 . 1 1 27 27 TYR HA H 1 4.237 0.005 . 1 . . . . 27 Y HA . 17150 1 260 . 1 1 27 27 TYR HB2 H 1 2.917 0.011 . 2 . . . . 27 Y HB2 . 17150 1 261 . 1 1 27 27 TYR HB3 H 1 3.169 0.002 . 2 . . . . 27 Y HB3 . 17150 1 262 . 1 1 27 27 TYR HD1 H 1 7.059 0.007 . 3 . . . . 27 Y QD . 17150 1 263 . 1 1 27 27 TYR HD2 H 1 7.059 0.007 . 3 . . . . 27 Y QD . 17150 1 264 . 1 1 27 27 TYR HE1 H 1 6.727 0.002 . 3 . . . . 27 Y QE . 17150 1 265 . 1 1 27 27 TYR HE2 H 1 6.727 0.002 . 3 . . . . 27 Y QE . 17150 1 266 . 1 1 27 27 TYR C C 13 178.241 0.000 . 1 . . . . 27 Y C . 17150 1 267 . 1 1 27 27 TYR CA C 13 61.676 0.246 . 1 . . . . 27 Y CA . 17150 1 268 . 1 1 27 27 TYR CB C 13 37.984 0.073 . 1 . . . . 27 Y CB . 17150 1 269 . 1 1 27 27 TYR N N 15 120.819 0.019 . 1 . . . . 27 Y N . 17150 1 270 . 1 1 28 28 ALA H H 1 8.921 0.001 . 1 . . . . 28 A H . 17150 1 271 . 1 1 28 28 ALA HA H 1 3.645 0.006 . 1 . . . . 28 A HA . 17150 1 272 . 1 1 28 28 ALA HB1 H 1 1.544 0.004 . 1 . . . . 28 A QB . 17150 1 273 . 1 1 28 28 ALA HB2 H 1 1.544 0.004 . 1 . . . . 28 A QB . 17150 1 274 . 1 1 28 28 ALA HB3 H 1 1.544 0.004 . 1 . . . . 28 A QB . 17150 1 275 . 1 1 28 28 ALA C C 13 179.758 0.000 . 1 . . . . 28 A C . 17150 1 276 . 1 1 28 28 ALA CA C 13 55.953 0.121 . 1 . . . . 28 A CA . 17150 1 277 . 1 1 28 28 ALA CB C 13 16.890 0.063 . 1 . . . . 28 A CB . 17150 1 278 . 1 1 28 28 ALA N N 15 122.505 0.019 . 1 . . . . 28 A N . 17150 1 279 . 1 1 29 29 LYS H H 1 8.206 0.003 . 1 . . . . 29 K H . 17150 1 280 . 1 1 29 29 LYS HA H 1 4.167 0.008 . 1 . . . . 29 K HA . 17150 1 281 . 1 1 29 29 LYS HB3 H 1 1.939 0.003 . 2 . . . . 29 K HB3 . 17150 1 282 . 1 1 29 29 LYS HG2 H 1 1.503 0.000 . 2 . . . . 29 K HG2 . 17150 1 283 . 1 1 29 29 LYS HG3 H 1 1.592 0.000 . 2 . . . . 29 K HG3 . 17150 1 284 . 1 1 29 29 LYS C C 13 180.570 0.000 . 1 . . . . 29 K C . 17150 1 285 . 1 1 29 29 LYS CA C 13 59.156 0.065 . 1 . . . . 29 K CA . 17150 1 286 . 1 1 29 29 LYS CB C 13 32.115 0.033 . 1 . . . . 29 K CB . 17150 1 287 . 1 1 29 29 LYS CG C 13 25.146 0.000 . 1 . . . . 29 K CG . 17150 1 288 . 1 1 29 29 LYS N N 15 117.098 0.019 . 1 . . . . 29 K N . 17150 1 289 . 1 1 30 30 SER H H 1 7.965 0.001 . 1 . . . . 30 S H . 17150 1 290 . 1 1 30 30 SER HA H 1 4.247 0.011 . 1 . . . . 30 S HA . 17150 1 291 . 1 1 30 30 SER HB3 H 1 3.978 0.006 . 2 . . . . 30 S HB3 . 17150 1 292 . 1 1 30 30 SER C C 13 175.012 0.000 . 1 . . . . 30 S C . 17150 1 293 . 1 1 30 30 SER CA C 13 61.301 0.038 . 1 . . . . 30 S CA . 17150 1 294 . 1 1 30 30 SER CB C 13 62.878 0.080 . 1 . . . . 30 S CB . 17150 1 295 . 1 1 30 30 SER N N 15 116.600 0.030 . 1 . . . . 30 S N . 17150 1 296 . 1 1 31 31 LYS H H 1 7.217 0.003 . 1 . . . . 31 K H . 17150 1 297 . 1 1 31 31 LYS HA H 1 4.391 0.006 . 1 . . . . 31 K HA . 17150 1 298 . 1 1 31 31 LYS HB2 H 1 1.917 0.012 . 2 . . . . 31 K HB2 . 17150 1 299 . 1 1 31 31 LYS HB3 H 1 1.290 0.010 . 2 . . . . 31 K HB3 . 17150 1 300 . 1 1 31 31 LYS HD3 H 1 1.447 0.000 . 2 . . . . 31 K HD3 . 17150 1 301 . 1 1 31 31 LYS HG2 H 1 1.084 0.000 . 2 . . . . 31 K HG2 . 17150 1 302 . 1 1 31 31 LYS HG3 H 1 0.983 0.000 . 2 . . . . 31 K HG3 . 17150 1 303 . 1 1 31 31 LYS C C 13 175.457 0.000 . 1 . . . . 31 K C . 17150 1 304 . 1 1 31 31 LYS CA C 13 53.826 0.073 . 1 . . . . 31 K CA . 17150 1 305 . 1 1 31 31 LYS CB C 13 32.151 0.041 . 1 . . . . 31 K CB . 17150 1 306 . 1 1 31 31 LYS CD C 13 27.676 0.000 . 1 . . . . 31 K CD . 17150 1 307 . 1 1 31 31 LYS CG C 13 23.566 0.006 . 1 . . . . 31 K CG . 17150 1 308 . 1 1 31 31 LYS N N 15 119.417 0.023 . 1 . . . . 31 K N . 17150 1 309 . 1 1 32 32 ASN H H 1 7.903 0.001 . 1 . . . . 32 N H . 17150 1 310 . 1 1 32 32 ASN HA H 1 4.289 0.003 . 1 . . . . 32 N HA . 17150 1 311 . 1 1 32 32 ASN HB2 H 1 2.745 0.010 . 2 . . . . 32 N HB2 . 17150 1 312 . 1 1 32 32 ASN HB3 H 1 3.082 0.007 . 2 . . . . 32 N HB3 . 17150 1 313 . 1 1 32 32 ASN HD21 H 1 7.542 0.000 . 2 . . . . 32 N HD21 . 17150 1 314 . 1 1 32 32 ASN HD22 H 1 6.825 0.000 . 2 . . . . 32 N HD22 . 17150 1 315 . 1 1 32 32 ASN C C 13 174.120 0.000 . 1 . . . . 32 N C . 17150 1 316 . 1 1 32 32 ASN CA C 13 54.480 0.049 . 1 . . . . 32 N CA . 17150 1 317 . 1 1 32 32 ASN CB C 13 37.141 0.072 . 1 . . . . 32 N CB . 17150 1 318 . 1 1 32 32 ASN N N 15 116.673 0.034 . 1 . . . . 32 N N . 17150 1 319 . 1 1 32 32 ASN ND2 N 15 112.519 0.009 . 1 . . . . 32 N ND2 . 17150 1 320 . 1 1 33 33 ILE H H 1 8.338 0.004 . 1 . . . . 33 I H . 17150 1 321 . 1 1 33 33 ILE HA H 1 4.025 0.005 . 1 . . . . 33 I HA . 17150 1 322 . 1 1 33 33 ILE HB H 1 1.521 0.009 . 1 . . . . 33 I HB . 17150 1 323 . 1 1 33 33 ILE HD11 H 1 0.751 0.000 . 1 . . . . 33 I QD1 . 17150 1 324 . 1 1 33 33 ILE HD12 H 1 0.751 0.000 . 1 . . . . 33 I QD1 . 17150 1 325 . 1 1 33 33 ILE HD13 H 1 0.751 0.000 . 1 . . . . 33 I QD1 . 17150 1 326 . 1 1 33 33 ILE HG13 H 1 0.752 0.000 . 2 . . . . 33 I HG13 . 17150 1 327 . 1 1 33 33 ILE HG21 H 1 0.738 0.003 . 1 . . . . 33 I QG2 . 17150 1 328 . 1 1 33 33 ILE HG22 H 1 0.738 0.003 . 1 . . . . 33 I QG2 . 17150 1 329 . 1 1 33 33 ILE HG23 H 1 0.738 0.003 . 1 . . . . 33 I QG2 . 17150 1 330 . 1 1 33 33 ILE C C 13 175.718 0.000 . 1 . . . . 33 I C . 17150 1 331 . 1 1 33 33 ILE CA C 13 60.471 0.000 . 1 . . . . 33 I CA . 17150 1 332 . 1 1 33 33 ILE CB C 13 39.544 0.034 . 1 . . . . 33 I CB . 17150 1 333 . 1 1 33 33 ILE CD1 C 13 13.791 0.000 . 1 . . . . 33 I CD1 . 17150 1 334 . 1 1 33 33 ILE CG2 C 13 16.848 0.000 . 1 . . . . 33 I CG2 . 17150 1 335 . 1 1 33 33 ILE N N 15 118.808 0.026 . 1 . . . . 33 I N . 17150 1 336 . 1 1 34 34 ASN H H 1 8.866 0.001 . 1 . . . . 34 N H . 17150 1 337 . 1 1 34 34 ASN HA H 1 4.716 0.000 . 1 . . . . 34 N HA . 17150 1 338 . 1 1 34 34 ASN HB2 H 1 2.951 0.003 . 2 . . . . 34 N HB2 . 17150 1 339 . 1 1 34 34 ASN HB3 H 1 2.741 0.010 . 2 . . . . 34 N HB3 . 17150 1 340 . 1 1 34 34 ASN HD21 H 1 7.529 0.000 . 2 . . . . 34 N HD21 . 17150 1 341 . 1 1 34 34 ASN HD22 H 1 6.848 0.000 . 2 . . . . 34 N HD22 . 17150 1 342 . 1 1 34 34 ASN C C 13 173.388 0.000 . 1 . . . . 34 N C . 17150 1 343 . 1 1 34 34 ASN CA C 13 52.361 0.004 . 1 . . . . 34 N CA . 17150 1 344 . 1 1 34 34 ASN CB C 13 36.898 0.106 . 1 . . . . 34 N CB . 17150 1 345 . 1 1 34 34 ASN N N 15 127.536 0.049 . 1 . . . . 34 N N . 17150 1 346 . 1 1 34 34 ASN ND2 N 15 112.035 0.002 . 1 . . . . 34 N ND2 . 17150 1 347 . 1 1 35 35 ALA H H 1 7.941 0.002 . 1 . . . . 35 A H . 17150 1 348 . 1 1 35 35 ALA HA H 1 5.405 0.004 . 1 . . . . 35 A HA . 17150 1 349 . 1 1 35 35 ALA HB1 H 1 1.101 0.008 . 1 . . . . 35 A QB . 17150 1 350 . 1 1 35 35 ALA HB2 H 1 1.101 0.008 . 1 . . . . 35 A QB . 17150 1 351 . 1 1 35 35 ALA HB3 H 1 1.101 0.008 . 1 . . . . 35 A QB . 17150 1 352 . 1 1 35 35 ALA C C 13 176.087 0.000 . 1 . . . . 35 A C . 17150 1 353 . 1 1 35 35 ALA CA C 13 50.586 0.139 . 1 . . . . 35 A CA . 17150 1 354 . 1 1 35 35 ALA CB C 13 21.812 0.081 . 1 . . . . 35 A CB . 17150 1 355 . 1 1 35 35 ALA N N 15 127.177 0.032 . 1 . . . . 35 A N . 17150 1 356 . 1 1 36 36 THR H H 1 8.787 0.002 . 1 . . . . 36 T H . 17150 1 357 . 1 1 36 36 THR HA H 1 4.601 0.004 . 1 . . . . 36 T HA . 17150 1 358 . 1 1 36 36 THR HB H 1 4.256 0.006 . 1 . . . . 36 T HB . 17150 1 359 . 1 1 36 36 THR HG21 H 1 1.173 0.000 . 1 . . . . 36 T QG2 . 17150 1 360 . 1 1 36 36 THR HG22 H 1 1.173 0.000 . 1 . . . . 36 T QG2 . 17150 1 361 . 1 1 36 36 THR HG23 H 1 1.173 0.000 . 1 . . . . 36 T QG2 . 17150 1 362 . 1 1 36 36 THR C C 13 172.562 0.000 . 1 . . . . 36 T C . 17150 1 363 . 1 1 36 36 THR CA C 13 60.980 0.101 . 1 . . . . 36 T CA . 17150 1 364 . 1 1 36 36 THR CB C 13 71.225 0.054 . 1 . . . . 36 T CB . 17150 1 365 . 1 1 36 36 THR CG2 C 13 21.318 0.045 . 1 . . . . 36 T CG2 . 17150 1 366 . 1 1 36 36 THR N N 15 115.937 0.051 . 1 . . . . 36 T N . 17150 1 367 . 1 1 37 37 ILE H H 1 9.025 0.004 . 1 . . . . 37 I H . 17150 1 368 . 1 1 37 37 ILE HA H 1 5.556 0.003 . 1 . . . . 37 I HA . 17150 1 369 . 1 1 37 37 ILE HB H 1 1.728 0.002 . 1 . . . . 37 I HB . 17150 1 370 . 1 1 37 37 ILE HD11 H 1 0.787 0.000 . 1 . . . . 37 I QD1 . 17150 1 371 . 1 1 37 37 ILE HD12 H 1 0.787 0.000 . 1 . . . . 37 I QD1 . 17150 1 372 . 1 1 37 37 ILE HD13 H 1 0.787 0.000 . 1 . . . . 37 I QD1 . 17150 1 373 . 1 1 37 37 ILE HG12 H 1 1.409 0.001 . 2 . . . . 37 I HG12 . 17150 1 374 . 1 1 37 37 ILE HG13 H 1 1.033 0.005 . 2 . . . . 37 I HG13 . 17150 1 375 . 1 1 37 37 ILE HG21 H 1 0.886 0.003 . 1 . . . . 37 I QG2 . 17150 1 376 . 1 1 37 37 ILE HG22 H 1 0.886 0.003 . 1 . . . . 37 I QG2 . 17150 1 377 . 1 1 37 37 ILE HG23 H 1 0.886 0.003 . 1 . . . . 37 I QG2 . 17150 1 378 . 1 1 37 37 ILE C C 13 173.718 0.000 . 1 . . . . 37 I C . 17150 1 379 . 1 1 37 37 ILE CA C 13 58.865 0.050 . 1 . . . . 37 I CA . 17150 1 380 . 1 1 37 37 ILE CB C 13 41.008 0.117 . 1 . . . . 37 I CB . 17150 1 381 . 1 1 37 37 ILE CD1 C 13 15.752 0.000 . 1 . . . . 37 I CD1 . 17150 1 382 . 1 1 37 37 ILE CG1 C 13 28.973 0.030 . 1 . . . . 37 I CG1 . 17150 1 383 . 1 1 37 37 ILE CG2 C 13 18.472 0.087 . 1 . . . . 37 I CG2 . 17150 1 384 . 1 1 37 37 ILE N N 15 123.383 0.037 . 1 . . . . 37 I N . 17150 1 385 . 1 1 38 38 GLU H H 1 8.377 0.002 . 1 . . . . 38 E H . 17150 1 386 . 1 1 38 38 GLU HA H 1 4.618 0.008 . 1 . . . . 38 E HA . 17150 1 387 . 1 1 38 38 GLU HB2 H 1 2.002 0.004 . 2 . . . . 38 E HB2 . 17150 1 388 . 1 1 38 38 GLU HB3 H 1 1.892 0.002 . 2 . . . . 38 E HB3 . 17150 1 389 . 1 1 38 38 GLU HG3 H 1 2.267 0.002 . 2 . . . . 38 E HG3 . 17150 1 390 . 1 1 38 38 GLU C C 13 173.134 0.000 . 1 . . . . 38 E C . 17150 1 391 . 1 1 38 38 GLU CA C 13 54.978 0.066 . 1 . . . . 38 E CA . 17150 1 392 . 1 1 38 38 GLU CB C 13 33.993 0.080 . 1 . . . . 38 E CB . 17150 1 393 . 1 1 38 38 GLU CG C 13 36.461 0.013 . 1 . . . . 38 E CG . 17150 1 394 . 1 1 38 38 GLU N N 15 125.529 0.030 . 1 . . . . 38 E N . 17150 1 395 . 1 1 39 39 ALA H H 1 8.693 0.002 . 1 . . . . 39 A H . 17150 1 396 . 1 1 39 39 ALA HA H 1 5.762 0.004 . 1 . . . . 39 A HA . 17150 1 397 . 1 1 39 39 ALA HB1 H 1 1.199 0.010 . 1 . . . . 39 A QB . 17150 1 398 . 1 1 39 39 ALA HB2 H 1 1.199 0.010 . 1 . . . . 39 A QB . 17150 1 399 . 1 1 39 39 ALA HB3 H 1 1.199 0.010 . 1 . . . . 39 A QB . 17150 1 400 . 1 1 39 39 ALA C C 13 176.996 0.000 . 1 . . . . 39 A C . 17150 1 401 . 1 1 39 39 ALA CA C 13 49.916 0.064 . 1 . . . . 39 A CA . 17150 1 402 . 1 1 39 39 ALA CB C 13 21.632 0.039 . 1 . . . . 39 A CB . 17150 1 403 . 1 1 39 39 ALA N N 15 125.616 0.029 . 1 . . . . 39 A N . 17150 1 404 . 1 1 40 40 ILE H H 1 8.715 0.004 . 1 . . . . 40 I H . 17150 1 405 . 1 1 40 40 ILE HA H 1 4.519 0.011 . 1 . . . . 40 I HA . 17150 1 406 . 1 1 40 40 ILE HB H 1 1.647 0.000 . 1 . . . . 40 I HB . 17150 1 407 . 1 1 40 40 ILE HD11 H 1 0.767 0.002 . 1 . . . . 40 I QD1 . 17150 1 408 . 1 1 40 40 ILE HD12 H 1 0.767 0.002 . 1 . . . . 40 I QD1 . 17150 1 409 . 1 1 40 40 ILE HD13 H 1 0.767 0.002 . 1 . . . . 40 I QD1 . 17150 1 410 . 1 1 40 40 ILE HG12 H 1 1.391 0.005 . 2 . . . . 40 I HG12 . 17150 1 411 . 1 1 40 40 ILE HG13 H 1 0.960 0.003 . 2 . . . . 40 I HG13 . 17150 1 412 . 1 1 40 40 ILE HG21 H 1 0.721 0.001 . 1 . . . . 40 I QG2 . 17150 1 413 . 1 1 40 40 ILE HG22 H 1 0.721 0.001 . 1 . . . . 40 I QG2 . 17150 1 414 . 1 1 40 40 ILE HG23 H 1 0.721 0.001 . 1 . . . . 40 I QG2 . 17150 1 415 . 1 1 40 40 ILE C C 13 173.465 0.000 . 1 . . . . 40 I C . 17150 1 416 . 1 1 40 40 ILE CA C 13 59.177 0.048 . 1 . . . . 40 I CA . 17150 1 417 . 1 1 40 40 ILE CB C 13 43.190 0.023 . 1 . . . . 40 I CB . 17150 1 418 . 1 1 40 40 ILE CD1 C 13 14.564 0.049 . 1 . . . . 40 I CD1 . 17150 1 419 . 1 1 40 40 ILE CG1 C 13 27.355 0.102 . 1 . . . . 40 I CG1 . 17150 1 420 . 1 1 40 40 ILE CG2 C 13 17.885 0.088 . 1 . . . . 40 I CG2 . 17150 1 421 . 1 1 40 40 ILE N N 15 119.629 0.008 . 1 . . . . 40 I N . 17150 1 422 . 1 1 41 41 ALA H H 1 8.009 0.001 . 1 . . . . 41 A H . 17150 1 423 . 1 1 41 41 ALA HA H 1 4.569 0.011 . 1 . . . . 41 A HA . 17150 1 424 . 1 1 41 41 ALA HB1 H 1 1.422 0.011 . 1 . . . . 41 A QB . 17150 1 425 . 1 1 41 41 ALA HB2 H 1 1.422 0.011 . 1 . . . . 41 A QB . 17150 1 426 . 1 1 41 41 ALA HB3 H 1 1.422 0.011 . 1 . . . . 41 A QB . 17150 1 427 . 1 1 41 41 ALA C C 13 179.714 0.000 . 1 . . . . 41 A C . 17150 1 428 . 1 1 41 41 ALA CA C 13 51.435 0.099 . 1 . . . . 41 A CA . 17150 1 429 . 1 1 41 41 ALA CB C 13 19.739 0.033 . 1 . . . . 41 A CB . 17150 1 430 . 1 1 41 41 ALA N N 15 124.772 0.027 . 1 . . . . 41 A N . 17150 1 431 . 1 1 42 42 GLU H H 1 8.862 0.001 . 1 . . . . 42 E H . 17150 1 432 . 1 1 42 42 GLU HA H 1 3.685 0.007 . 1 . . . . 42 E HA . 17150 1 433 . 1 1 42 42 GLU HB2 H 1 2.035 0.003 . 2 . . . . 42 E HB2 . 17150 1 434 . 1 1 42 42 GLU HB3 H 1 1.945 0.000 . 2 . . . . 42 E HB3 . 17150 1 435 . 1 1 42 42 GLU HG3 H 1 2.183 0.001 . 2 . . . . 42 E HG3 . 17150 1 436 . 1 1 42 42 GLU C C 13 177.549 0.000 . 1 . . . . 42 E C . 17150 1 437 . 1 1 42 42 GLU CA C 13 59.665 0.109 . 1 . . . . 42 E CA . 17150 1 438 . 1 1 42 42 GLU CB C 13 29.881 0.061 . 1 . . . . 42 E CB . 17150 1 439 . 1 1 42 42 GLU CG C 13 36.189 0.022 . 1 . . . . 42 E CG . 17150 1 440 . 1 1 42 42 GLU N N 15 119.915 0.023 . 1 . . . . 42 E N . 17150 1 441 . 1 1 43 43 THR H H 1 7.415 0.001 . 1 . . . . 43 T H . 17150 1 442 . 1 1 43 43 THR HA H 1 4.123 0.004 . 1 . . . . 43 T HA . 17150 1 443 . 1 1 43 43 THR HB H 1 4.320 0.002 . 1 . . . . 43 T HB . 17150 1 444 . 1 1 43 43 THR HG21 H 1 1.299 0.000 . 1 . . . . 43 T QG2 . 17150 1 445 . 1 1 43 43 THR HG22 H 1 1.299 0.000 . 1 . . . . 43 T QG2 . 17150 1 446 . 1 1 43 43 THR HG23 H 1 1.299 0.000 . 1 . . . . 43 T QG2 . 17150 1 447 . 1 1 43 43 THR C C 13 175.775 0.000 . 1 . . . . 43 T C . 17150 1 448 . 1 1 43 43 THR CA C 13 63.230 0.132 . 1 . . . . 43 T CA . 17150 1 449 . 1 1 43 43 THR CB C 13 68.538 0.040 . 1 . . . . 43 T CB . 17150 1 450 . 1 1 43 43 THR CG2 C 13 22.578 0.087 . 1 . . . . 43 T CG2 . 17150 1 451 . 1 1 43 43 THR N N 15 107.039 0.018 . 1 . . . . 43 T N . 17150 1 452 . 1 1 44 44 ARG H H 1 7.723 0.001 . 1 . . . . 44 R H . 17150 1 453 . 1 1 44 44 ARG HA H 1 4.619 0.000 . 1 . . . . 44 R HA . 17150 1 454 . 1 1 44 44 ARG HB2 H 1 2.224 0.003 . 2 . . . . 44 R HB2 . 17150 1 455 . 1 1 44 44 ARG HB3 H 1 1.655 0.022 . 2 . . . . 44 R HB3 . 17150 1 456 . 1 1 44 44 ARG HD2 H 1 3.272 0.002 . 2 . . . . 44 R HD2 . 17150 1 457 . 1 1 44 44 ARG HD3 H 1 3.141 0.000 . 2 . . . . 44 R HD3 . 17150 1 458 . 1 1 44 44 ARG HG2 H 1 1.725 0.000 . 2 . . . . 44 R HG2 . 17150 1 459 . 1 1 44 44 ARG HG3 H 1 1.589 0.000 . 2 . . . . 44 R HG3 . 17150 1 460 . 1 1 44 44 ARG C C 13 176.393 0.000 . 1 . . . . 44 R C . 17150 1 461 . 1 1 44 44 ARG CA C 13 55.672 0.019 . 1 . . . . 44 R CA . 17150 1 462 . 1 1 44 44 ARG CB C 13 30.902 0.101 . 1 . . . . 44 R CB . 17150 1 463 . 1 1 44 44 ARG CD C 13 43.219 0.014 . 1 . . . . 44 R CD . 17150 1 464 . 1 1 44 44 ARG CG C 13 27.652 0.021 . 1 . . . . 44 R CG . 17150 1 465 . 1 1 44 44 ARG N N 15 119.472 0.017 . 1 . . . . 44 R N . 17150 1 466 . 1 1 45 45 LEU H H 1 7.324 0.002 . 1 . . . . 45 L H . 17150 1 467 . 1 1 45 45 LEU HA H 1 3.760 0.008 . 1 . . . . 45 L HA . 17150 1 468 . 1 1 45 45 LEU HB2 H 1 1.817 0.000 . 2 . . . . 45 L HB2 . 17150 1 469 . 1 1 45 45 LEU HB3 H 1 1.493 0.000 . 2 . . . . 45 L HB3 . 17150 1 470 . 1 1 45 45 LEU HD11 H 1 0.727 0.001 . 2 . . . . 45 L QD1 . 17150 1 471 . 1 1 45 45 LEU HD12 H 1 0.727 0.001 . 2 . . . . 45 L QD1 . 17150 1 472 . 1 1 45 45 LEU HD13 H 1 0.727 0.001 . 2 . . . . 45 L QD1 . 17150 1 473 . 1 1 45 45 LEU HD21 H 1 0.803 0.000 . 2 . . . . 45 L QD2 . 17150 1 474 . 1 1 45 45 LEU HD22 H 1 0.803 0.000 . 2 . . . . 45 L QD2 . 17150 1 475 . 1 1 45 45 LEU HD23 H 1 0.803 0.000 . 2 . . . . 45 L QD2 . 17150 1 476 . 1 1 45 45 LEU HG H 1 0.808 0.000 . 1 . . . . 45 L HG . 17150 1 477 . 1 1 45 45 LEU C C 13 177.951 0.000 . 1 . . . . 45 L C . 17150 1 478 . 1 1 45 45 LEU CA C 13 59.207 0.108 . 1 . . . . 45 L CA . 17150 1 479 . 1 1 45 45 LEU CB C 13 42.144 0.052 . 1 . . . . 45 L CB . 17150 1 480 . 1 1 45 45 LEU CD1 C 13 25.349 0.014 . 2 . . . . 45 L CD1 . 17150 1 481 . 1 1 45 45 LEU CD2 C 13 23.199 0.000 . 2 . . . . 45 L CD2 . 17150 1 482 . 1 1 45 45 LEU CG C 13 26.354 0.000 . 1 . . . . 45 L CG . 17150 1 483 . 1 1 45 45 LEU N N 15 120.468 0.026 . 1 . . . . 45 L N . 17150 1 484 . 1 1 46 46 SER H H 1 8.893 0.001 . 1 . . . . 46 S H . 17150 1 485 . 1 1 46 46 SER HA H 1 3.917 0.012 . 1 . . . . 46 S HA . 17150 1 486 . 1 1 46 46 SER C C 13 175.373 0.000 . 1 . . . . 46 S C . 17150 1 487 . 1 1 46 46 SER CA C 13 61.859 0.104 . 1 . . . . 46 S CA . 17150 1 488 . 1 1 46 46 SER CB C 13 62.818 0.069 . 1 . . . . 46 S CB . 17150 1 489 . 1 1 46 46 SER N N 15 111.763 0.026 . 1 . . . . 46 S N . 17150 1 490 . 1 1 47 47 GLU H H 1 7.758 0.001 . 1 . . . . 47 E H . 17150 1 491 . 1 1 47 47 GLU HA H 1 4.193 0.007 . 1 . . . . 47 E HA . 17150 1 492 . 1 1 47 47 GLU HB2 H 1 2.271 0.012 . 2 . . . . 47 E HB2 . 17150 1 493 . 1 1 47 47 GLU HB3 H 1 2.211 0.005 . 2 . . . . 47 E HB3 . 17150 1 494 . 1 1 47 47 GLU HG2 H 1 2.314 0.020 . 2 . . . . 47 E HG2 . 17150 1 495 . 1 1 47 47 GLU HG3 H 1 2.317 0.021 . 2 . . . . 47 E HG3 . 17150 1 496 . 1 1 47 47 GLU C C 13 178.046 0.000 . 1 . . . . 47 E C . 17150 1 497 . 1 1 47 47 GLU CA C 13 58.250 0.024 . 1 . . . . 47 E CA . 17150 1 498 . 1 1 47 47 GLU CB C 13 30.503 0.012 . 1 . . . . 47 E CB . 17150 1 499 . 1 1 47 47 GLU CG C 13 36.106 0.179 . 1 . . . . 47 E CG . 17150 1 500 . 1 1 47 47 GLU N N 15 119.070 0.054 . 1 . . . . 47 E N . 17150 1 501 . 1 1 48 48 VAL H H 1 7.198 0.002 . 1 . . . . 48 V H . 17150 1 502 . 1 1 48 48 VAL HA H 1 4.785 0.000 . 1 . . . . 48 V HA . 17150 1 503 . 1 1 48 48 VAL HB H 1 2.567 0.000 . 1 . . . . 48 V HB . 17150 1 504 . 1 1 48 48 VAL HG11 H 1 0.965 0.002 . 2 . . . . 48 V QG1 . 17150 1 505 . 1 1 48 48 VAL HG12 H 1 0.965 0.002 . 2 . . . . 48 V QG1 . 17150 1 506 . 1 1 48 48 VAL HG13 H 1 0.965 0.002 . 2 . . . . 48 V QG1 . 17150 1 507 . 1 1 48 48 VAL HG21 H 1 0.823 0.001 . 2 . . . . 48 V QG2 . 17150 1 508 . 1 1 48 48 VAL HG22 H 1 0.823 0.001 . 2 . . . . 48 V QG2 . 17150 1 509 . 1 1 48 48 VAL HG23 H 1 0.823 0.001 . 2 . . . . 48 V QG2 . 17150 1 510 . 1 1 48 48 VAL C C 13 177.482 0.000 . 1 . . . . 48 V C . 17150 1 511 . 1 1 48 48 VAL CA C 13 61.220 0.039 . 1 . . . . 48 V CA . 17150 1 512 . 1 1 48 48 VAL CB C 13 34.135 0.031 . 1 . . . . 48 V CB . 17150 1 513 . 1 1 48 48 VAL CG1 C 13 21.187 0.129 . 2 . . . . 48 V CG1 . 17150 1 514 . 1 1 48 48 VAL CG2 C 13 19.587 0.016 . 2 . . . . 48 V CG2 . 17150 1 515 . 1 1 48 48 VAL N N 15 107.402 0.021 . 1 . . . . 48 V N . 17150 1 516 . 1 1 49 49 VAL H H 1 7.739 0.001 . 1 . . . . 49 V H . 17150 1 517 . 1 1 49 49 VAL HA H 1 3.797 0.003 . 1 . . . . 49 V HA . 17150 1 518 . 1 1 49 49 VAL HB H 1 2.264 0.002 . 1 . . . . 49 V HB . 17150 1 519 . 1 1 49 49 VAL HG11 H 1 0.843 0.002 . 2 . . . . 49 V QG1 . 17150 1 520 . 1 1 49 49 VAL HG12 H 1 0.843 0.002 . 2 . . . . 49 V QG1 . 17150 1 521 . 1 1 49 49 VAL HG13 H 1 0.843 0.002 . 2 . . . . 49 V QG1 . 17150 1 522 . 1 1 49 49 VAL HG21 H 1 0.821 0.001 . 2 . . . . 49 V QG2 . 17150 1 523 . 1 1 49 49 VAL HG22 H 1 0.821 0.001 . 2 . . . . 49 V QG2 . 17150 1 524 . 1 1 49 49 VAL HG23 H 1 0.821 0.001 . 2 . . . . 49 V QG2 . 17150 1 525 . 1 1 49 49 VAL C C 13 173.749 0.000 . 1 . . . . 49 V C . 17150 1 526 . 1 1 49 49 VAL CA C 13 65.390 0.133 . 1 . . . . 49 V CA . 17150 1 527 . 1 1 49 49 VAL CB C 13 30.997 0.153 . 1 . . . . 49 V CB . 17150 1 528 . 1 1 49 49 VAL CG1 C 13 22.461 0.051 . 2 . . . . 49 V CG1 . 17150 1 529 . 1 1 49 49 VAL CG2 C 13 19.304 0.009 . 2 . . . . 49 V CG2 . 17150 1 530 . 1 1 49 49 VAL N N 15 119.983 0.018 . 1 . . . . 49 V N . 17150 1 531 . 1 1 50 50 ASP H H 1 8.103 0.001 . 1 . . . . 50 D H . 17150 1 532 . 1 1 50 50 ASP HA H 1 4.361 0.003 . 1 . . . . 50 D HA . 17150 1 533 . 1 1 50 50 ASP HB2 H 1 2.634 0.001 . 2 . . . . 50 D HB2 . 17150 1 534 . 1 1 50 50 ASP HB3 H 1 2.546 0.001 . 2 . . . . 50 D HB3 . 17150 1 535 . 1 1 50 50 ASP C C 13 177.054 0.000 . 1 . . . . 50 D C . 17150 1 536 . 1 1 50 50 ASP CA C 13 56.409 0.051 . 1 . . . . 50 D CA . 17150 1 537 . 1 1 50 50 ASP CB C 13 40.712 0.077 . 1 . . . . 50 D CB . 17150 1 538 . 1 1 50 50 ASP N N 15 115.980 0.034 . 1 . . . . 50 D N . 17150 1 539 . 1 1 51 51 ARG H H 1 7.822 0.001 . 1 . . . . 51 R H . 17150 1 540 . 1 1 51 51 ARG HA H 1 4.283 0.005 . 1 . . . . 51 R HA . 17150 1 541 . 1 1 51 51 ARG HB2 H 1 1.470 0.008 . 2 . . . . 51 R HB2 . 17150 1 542 . 1 1 51 51 ARG HB3 H 1 1.596 0.000 . 2 . . . . 51 R HB3 . 17150 1 543 . 1 1 51 51 ARG HD2 H 1 3.091 0.000 . 2 . . . . 51 R HD2 . 17150 1 544 . 1 1 51 51 ARG HD3 H 1 3.053 0.001 . 2 . . . . 51 R HD3 . 17150 1 545 . 1 1 51 51 ARG HG2 H 1 1.290 0.000 . 2 . . . . 51 R HG2 . 17150 1 546 . 1 1 51 51 ARG HG3 H 1 1.491 0.004 . 2 . . . . 51 R HG3 . 17150 1 547 . 1 1 51 51 ARG C C 13 175.548 0.000 . 1 . . . . 51 R C . 17150 1 548 . 1 1 51 51 ARG CA C 13 55.957 0.114 . 1 . . . . 51 R CA . 17150 1 549 . 1 1 51 51 ARG CB C 13 30.101 0.057 . 1 . . . . 51 R CB . 17150 1 550 . 1 1 51 51 ARG CD C 13 43.778 0.033 . 1 . . . . 51 R CD . 17150 1 551 . 1 1 51 51 ARG CG C 13 27.531 0.017 . 1 . . . . 51 R CG . 17150 1 552 . 1 1 51 51 ARG N N 15 115.609 0.038 . 1 . . . . 51 R N . 17150 1 553 . 1 1 52 52 PHE H H 1 8.018 0.003 . 1 . . . . 52 F H . 17150 1 554 . 1 1 52 52 PHE HA H 1 4.471 0.002 . 1 . . . . 52 F HA . 17150 1 555 . 1 1 52 52 PHE HD1 H 1 7.011 0.007 . 3 . . . . 52 F QD . 17150 1 556 . 1 1 52 52 PHE HD2 H 1 7.011 0.007 . 3 . . . . 52 F QD . 17150 1 557 . 1 1 52 52 PHE HE1 H 1 7.067 0.000 . 3 . . . . 52 F QE . 17150 1 558 . 1 1 52 52 PHE HE2 H 1 7.067 0.000 . 3 . . . . 52 F QE . 17150 1 559 . 1 1 52 52 PHE HZ H 1 7.137 0.000 . 1 . . . . 52 F HZ . 17150 1 560 . 1 1 52 52 PHE C C 13 173.172 0.000 . 1 . . . . 52 F C . 17150 1 561 . 1 1 52 52 PHE CA C 13 58.652 0.041 . 1 . . . . 52 F CA . 17150 1 562 . 1 1 52 52 PHE CB C 13 42.096 0.122 . 1 . . . . 52 F CB . 17150 1 563 . 1 1 52 52 PHE N N 15 118.376 0.049 . 1 . . . . 52 F N . 17150 1 564 . 1 1 53 53 ASP H H 1 9.230 0.004 . 1 . . . . 53 D H . 17150 1 565 . 1 1 53 53 ASP HA H 1 4.935 0.000 . 1 . . . . 53 D HA . 17150 1 566 . 1 1 53 53 ASP HB2 H 1 2.536 0.011 . 2 . . . . 53 D HB2 . 17150 1 567 . 1 1 53 53 ASP HB3 H 1 2.877 0.002 . 2 . . . . 53 D HB3 . 17150 1 568 . 1 1 53 53 ASP C C 13 176.009 0.000 . 1 . . . . 53 D C . 17150 1 569 . 1 1 53 53 ASP CA C 13 56.162 0.019 . 1 . . . . 53 D CA . 17150 1 570 . 1 1 53 53 ASP CB C 13 44.823 0.105 . 1 . . . . 53 D CB . 17150 1 571 . 1 1 53 53 ASP N N 15 116.163 0.034 . 1 . . . . 53 D N . 17150 1 572 . 1 1 54 54 VAL H H 1 7.566 0.001 . 1 . . . . 54 V H . 17150 1 573 . 1 1 54 54 VAL HA H 1 4.430 0.006 . 1 . . . . 54 V HA . 17150 1 574 . 1 1 54 54 VAL HB H 1 1.996 0.009 . 1 . . . . 54 V HB . 17150 1 575 . 1 1 54 54 VAL HG11 H 1 1.032 0.006 . 2 . . . . 54 V QG1 . 17150 1 576 . 1 1 54 54 VAL HG12 H 1 1.032 0.006 . 2 . . . . 54 V QG1 . 17150 1 577 . 1 1 54 54 VAL HG13 H 1 1.032 0.006 . 2 . . . . 54 V QG1 . 17150 1 578 . 1 1 54 54 VAL HG21 H 1 0.907 0.003 . 2 . . . . 54 V QG2 . 17150 1 579 . 1 1 54 54 VAL HG22 H 1 0.907 0.003 . 2 . . . . 54 V QG2 . 17150 1 580 . 1 1 54 54 VAL HG23 H 1 0.907 0.003 . 2 . . . . 54 V QG2 . 17150 1 581 . 1 1 54 54 VAL C C 13 172.295 0.000 . 1 . . . . 54 V C . 17150 1 582 . 1 1 54 54 VAL CA C 13 60.797 0.049 . 1 . . . . 54 V CA . 17150 1 583 . 1 1 54 54 VAL CB C 13 36.359 0.044 . 1 . . . . 54 V CB . 17150 1 584 . 1 1 54 54 VAL CG1 C 13 21.750 0.006 . 2 . . . . 54 V CG1 . 17150 1 585 . 1 1 54 54 VAL CG2 C 13 21.328 0.104 . 2 . . . . 54 V CG2 . 17150 1 586 . 1 1 54 54 VAL N N 15 113.563 0.024 . 1 . . . . 54 V N . 17150 1 587 . 1 1 55 55 VAL H H 1 8.511 0.002 . 1 . . . . 55 V H . 17150 1 588 . 1 1 55 55 VAL HA H 1 4.853 0.000 . 1 . . . . 55 V HA . 17150 1 589 . 1 1 55 55 VAL HB H 1 1.961 0.000 . 1 . . . . 55 V HB . 17150 1 590 . 1 1 55 55 VAL HG11 H 1 0.741 0.007 . 2 . . . . 55 V QG1 . 17150 1 591 . 1 1 55 55 VAL HG12 H 1 0.741 0.007 . 2 . . . . 55 V QG1 . 17150 1 592 . 1 1 55 55 VAL HG13 H 1 0.741 0.007 . 2 . . . . 55 V QG1 . 17150 1 593 . 1 1 55 55 VAL HG21 H 1 0.681 0.000 . 2 . . . . 55 V QG2 . 17150 1 594 . 1 1 55 55 VAL HG22 H 1 0.681 0.000 . 2 . . . . 55 V QG2 . 17150 1 595 . 1 1 55 55 VAL HG23 H 1 0.681 0.000 . 2 . . . . 55 V QG2 . 17150 1 596 . 1 1 55 55 VAL C C 13 173.452 0.000 . 1 . . . . 55 V C . 17150 1 597 . 1 1 55 55 VAL CA C 13 60.765 0.005 . 1 . . . . 55 V CA . 17150 1 598 . 1 1 55 55 VAL CB C 13 33.826 0.179 . 1 . . . . 55 V CB . 17150 1 599 . 1 1 55 55 VAL CG1 C 13 21.810 0.040 . 2 . . . . 55 V CG1 . 17150 1 600 . 1 1 55 55 VAL CG2 C 13 22.163 0.039 . 2 . . . . 55 V CG2 . 17150 1 601 . 1 1 55 55 VAL N N 15 126.613 0.028 . 1 . . . . 55 V N . 17150 1 602 . 1 1 56 56 LEU H H 1 9.402 0.004 . 1 . . . . 56 L H . 17150 1 603 . 1 1 56 56 LEU HA H 1 5.351 0.004 . 1 . . . . 56 L HA . 17150 1 604 . 1 1 56 56 LEU HB2 H 1 1.763 0.001 . 2 . . . . 56 L HB2 . 17150 1 605 . 1 1 56 56 LEU HB3 H 1 1.052 0.005 . 2 . . . . 56 L HB3 . 17150 1 606 . 1 1 56 56 LEU HD11 H 1 0.707 0.001 . 2 . . . . 56 L QD1 . 17150 1 607 . 1 1 56 56 LEU HD12 H 1 0.707 0.001 . 2 . . . . 56 L QD1 . 17150 1 608 . 1 1 56 56 LEU HD13 H 1 0.707 0.001 . 2 . . . . 56 L QD1 . 17150 1 609 . 1 1 56 56 LEU HD21 H 1 0.667 0.001 . 2 . . . . 56 L QD2 . 17150 1 610 . 1 1 56 56 LEU HD22 H 1 0.667 0.001 . 2 . . . . 56 L QD2 . 17150 1 611 . 1 1 56 56 LEU HD23 H 1 0.667 0.001 . 2 . . . . 56 L QD2 . 17150 1 612 . 1 1 56 56 LEU HG H 1 1.440 0.002 . 1 . . . . 56 L HG . 17150 1 613 . 1 1 56 56 LEU C C 13 175.357 0.000 . 1 . . . . 56 L C . 17150 1 614 . 1 1 56 56 LEU CA C 13 51.752 0.103 . 1 . . . . 56 L CA . 17150 1 615 . 1 1 56 56 LEU CB C 13 44.558 0.052 . 1 . . . . 56 L CB . 17150 1 616 . 1 1 56 56 LEU CD1 C 13 26.616 0.040 . 2 . . . . 56 L CD1 . 17150 1 617 . 1 1 56 56 LEU CD2 C 13 23.439 0.024 . 2 . . . . 56 L CD2 . 17150 1 618 . 1 1 56 56 LEU CG C 13 26.860 0.028 . 1 . . . . 56 L CG . 17150 1 619 . 1 1 56 56 LEU N N 15 124.944 0.029 . 1 . . . . 56 L N . 17150 1 620 . 1 1 57 57 LEU H H 1 8.964 0.009 . 1 . . . . 57 L H . 17150 1 621 . 1 1 57 57 LEU HA H 1 4.698 0.000 . 1 . . . . 57 L HA . 17150 1 622 . 1 1 57 57 LEU HB2 H 1 1.319 0.001 . 2 . . . . 57 L HB2 . 17150 1 623 . 1 1 57 57 LEU HB3 H 1 1.466 0.000 . 2 . . . . 57 L HB3 . 17150 1 624 . 1 1 57 57 LEU HD11 H 1 0.648 0.000 . 2 . . . . 57 L QD1 . 17150 1 625 . 1 1 57 57 LEU HD12 H 1 0.648 0.000 . 2 . . . . 57 L QD1 . 17150 1 626 . 1 1 57 57 LEU HD13 H 1 0.648 0.000 . 2 . . . . 57 L QD1 . 17150 1 627 . 1 1 57 57 LEU HD21 H 1 0.609 0.000 . 2 . . . . 57 L QD2 . 17150 1 628 . 1 1 57 57 LEU HD22 H 1 0.609 0.000 . 2 . . . . 57 L QD2 . 17150 1 629 . 1 1 57 57 LEU HD23 H 1 0.609 0.000 . 2 . . . . 57 L QD2 . 17150 1 630 . 1 1 57 57 LEU HG H 1 1.510 0.003 . 1 . . . . 57 L HG . 17150 1 631 . 1 1 57 57 LEU C C 13 175.758 0.000 . 1 . . . . 57 L C . 17150 1 632 . 1 1 57 57 LEU CA C 13 52.841 0.039 . 1 . . . . 57 L CA . 17150 1 633 . 1 1 57 57 LEU CB C 13 43.094 0.065 . 1 . . . . 57 L CB . 17150 1 634 . 1 1 57 57 LEU CD1 C 13 24.961 0.000 . 2 . . . . 57 L CD1 . 17150 1 635 . 1 1 57 57 LEU CD2 C 13 23.525 0.103 . 2 . . . . 57 L CD2 . 17150 1 636 . 1 1 57 57 LEU CG C 13 26.294 0.159 . 1 . . . . 57 L CG . 17150 1 637 . 1 1 57 57 LEU N N 15 120.677 0.024 . 1 . . . . 57 L N . 17150 1 638 . 1 1 58 58 ALA H H 1 8.096 0.001 . 1 . . . . 58 A H . 17150 1 639 . 1 1 58 58 ALA HA H 1 3.950 0.011 . 1 . . . . 58 A HA . 17150 1 640 . 1 1 58 58 ALA HB1 H 1 1.182 0.009 . 1 . . . . 58 A QB . 17150 1 641 . 1 1 58 58 ALA HB2 H 1 1.182 0.009 . 1 . . . . 58 A QB . 17150 1 642 . 1 1 58 58 ALA HB3 H 1 1.182 0.009 . 1 . . . . 58 A QB . 17150 1 643 . 1 1 58 58 ALA CA C 13 50.794 0.005 . 1 . . . . 58 A CA . 17150 1 644 . 1 1 58 58 ALA CB C 13 17.736 0.044 . 1 . . . . 58 A CB . 17150 1 645 . 1 1 58 58 ALA N N 15 124.314 0.035 . 1 . . . . 58 A N . 17150 1 646 . 1 1 59 59 PRO HA H 1 4.022 0.000 . 1 . . . . 59 P HA . 17150 1 647 . 1 1 59 59 PRO HB2 H 1 1.792 0.000 . 2 . . . . 59 P HB2 . 17150 1 648 . 1 1 59 59 PRO HB3 H 1 2.348 0.000 . 2 . . . . 59 P HB3 . 17150 1 649 . 1 1 59 59 PRO HD2 H 1 3.012 0.000 . 2 . . . . 59 P HD2 . 17150 1 650 . 1 1 59 59 PRO HD3 H 1 2.437 0.000 . 2 . . . . 59 P HD3 . 17150 1 651 . 1 1 59 59 PRO C C 13 178.892 0.000 . 1 . . . . 59 P C . 17150 1 652 . 1 1 59 59 PRO CA C 13 65.426 0.066 . 1 . . . . 59 P CA . 17150 1 653 . 1 1 59 59 PRO CB C 13 31.069 0.033 . 1 . . . . 59 P CB . 17150 1 654 . 1 1 59 59 PRO CD C 13 49.262 0.009 . 1 . . . . 59 P CD . 17150 1 655 . 1 1 60 60 GLN H H 1 8.809 0.003 . 1 . . . . 60 Q H . 17150 1 656 . 1 1 60 60 GLN HA H 1 4.221 0.000 . 1 . . . . 60 Q HA . 17150 1 657 . 1 1 60 60 GLN HB3 H 1 2.079 0.000 . 2 . . . . 60 Q HB3 . 17150 1 658 . 1 1 60 60 GLN HE21 H 1 7.683 0.000 . 2 . . . . 60 Q HE21 . 17150 1 659 . 1 1 60 60 GLN HE22 H 1 6.669 0.000 . 2 . . . . 60 Q HE22 . 17150 1 660 . 1 1 60 60 GLN HG3 H 1 2.415 0.000 . 2 . . . . 60 Q HG3 . 17150 1 661 . 1 1 60 60 GLN C C 13 177.013 0.000 . 1 . . . . 60 Q C . 17150 1 662 . 1 1 60 60 GLN CA C 13 57.645 0.032 . 1 . . . . 60 Q CA . 17150 1 663 . 1 1 60 60 GLN CB C 13 27.655 0.062 . 1 . . . . 60 Q CB . 17150 1 664 . 1 1 60 60 GLN CG C 13 33.920 0.000 . 1 . . . . 60 Q CG . 17150 1 665 . 1 1 60 60 GLN N N 15 115.445 0.023 . 1 . . . . 60 Q N . 17150 1 666 . 1 1 60 60 GLN NE2 N 15 111.825 0.002 . 1 . . . . 60 Q NE2 . 17150 1 667 . 1 1 61 61 SER H H 1 7.987 0.001 . 1 . . . . 61 S H . 17150 1 668 . 1 1 61 61 SER HB2 H 1 3.998 0.000 . 2 . . . . 61 S HB2 . 17150 1 669 . 1 1 61 61 SER HB3 H 1 3.667 0.000 . 2 . . . . 61 S HB3 . 17150 1 670 . 1 1 61 61 SER CA C 13 59.211 0.000 . 1 . . . . 61 S CA . 17150 1 671 . 1 1 61 61 SER CB C 13 64.342 0.091 . 1 . . . . 61 S CB . 17150 1 672 . 1 1 61 61 SER N N 15 115.728 0.030 . 1 . . . . 61 S N . 17150 1 673 . 1 1 62 62 ARG HD2 H 1 3.021 0.000 . 2 . . . . 62 R HD2 . 17150 1 674 . 1 1 62 62 ARG HD3 H 1 2.955 0.000 . 2 . . . . 62 R HD3 . 17150 1 675 . 1 1 62 62 ARG C C 13 177.003 0.000 . 1 . . . . 62 R C . 17150 1 676 . 1 1 62 62 ARG CA C 13 58.470 0.000 . 1 . . . . 62 R CA . 17150 1 677 . 1 1 62 62 ARG CB C 13 29.793 0.000 . 1 . . . . 62 R CB . 17150 1 678 . 1 1 62 62 ARG CD C 13 43.279 0.005 . 1 . . . . 62 R CD . 17150 1 679 . 1 1 63 63 PHE H H 1 7.961 0.002 . 1 . . . . 63 F H . 17150 1 680 . 1 1 63 63 PHE HA H 1 4.493 0.006 . 1 . . . . 63 F HA . 17150 1 681 . 1 1 63 63 PHE HB2 H 1 3.247 0.001 . 2 . . . . 63 F HB2 . 17150 1 682 . 1 1 63 63 PHE HB3 H 1 2.920 0.003 . 2 . . . . 63 F HB3 . 17150 1 683 . 1 1 63 63 PHE HD1 H 1 7.267 0.001 . 3 . . . . 63 F QD . 17150 1 684 . 1 1 63 63 PHE HD2 H 1 7.267 0.001 . 3 . . . . 63 F QD . 17150 1 685 . 1 1 63 63 PHE HE1 H 1 7.349 0.000 . 3 . . . . 63 F QE . 17150 1 686 . 1 1 63 63 PHE HE2 H 1 7.349 0.000 . 3 . . . . 63 F QE . 17150 1 687 . 1 1 63 63 PHE C C 13 175.847 0.000 . 1 . . . . 63 F C . 17150 1 688 . 1 1 63 63 PHE CA C 13 58.805 0.046 . 1 . . . . 63 F CA . 17150 1 689 . 1 1 63 63 PHE CB C 13 38.120 0.130 . 1 . . . . 63 F CB . 17150 1 690 . 1 1 63 63 PHE N N 15 118.612 0.034 . 1 . . . . 63 F N . 17150 1 691 . 1 1 64 64 ASN H H 1 7.972 0.002 . 1 . . . . 64 N H . 17150 1 692 . 1 1 64 64 ASN HA H 1 4.957 0.000 . 1 . . . . 64 N HA . 17150 1 693 . 1 1 64 64 ASN HB2 H 1 2.922 0.002 . 2 . . . . 64 N HB2 . 17150 1 694 . 1 1 64 64 ASN HB3 H 1 2.666 0.003 . 2 . . . . 64 N HB3 . 17150 1 695 . 1 1 64 64 ASN HD21 H 1 8.256 0.000 . 2 . . . . 64 N HD21 . 17150 1 696 . 1 1 64 64 ASN HD22 H 1 6.935 0.000 . 2 . . . . 64 N HD22 . 17150 1 697 . 1 1 64 64 ASN CA C 13 52.404 0.000 . 1 . . . . 64 N CA . 17150 1 698 . 1 1 64 64 ASN CB C 13 38.638 0.016 . 1 . . . . 64 N CB . 17150 1 699 . 1 1 64 64 ASN N N 15 117.980 0.012 . 1 . . . . 64 N N . 17150 1 700 . 1 1 64 64 ASN ND2 N 15 114.376 0.001 . 1 . . . . 64 N ND2 . 17150 1 701 . 1 1 65 65 LYS HA H 1 3.559 0.001 . 1 . . . . 65 K HA . 17150 1 702 . 1 1 65 65 LYS HG2 H 1 1.320 0.000 . 2 . . . . 65 K HG2 . 17150 1 703 . 1 1 65 65 LYS HG3 H 1 1.141 0.000 . 2 . . . . 65 K HG3 . 17150 1 704 . 1 1 65 65 LYS C C 13 176.576 0.000 . 1 . . . . 65 K C . 17150 1 705 . 1 1 65 65 LYS CA C 13 61.356 0.068 . 1 . . . . 65 K CA . 17150 1 706 . 1 1 65 65 LYS CB C 13 32.896 0.000 . 1 . . . . 65 K CB . 17150 1 707 . 1 1 65 65 LYS CG C 13 25.092 0.004 . 1 . . . . 65 K CG . 17150 1 708 . 1 1 66 66 LYS H H 1 8.367 0.002 . 1 . . . . 66 K H . 17150 1 709 . 1 1 66 66 LYS HA H 1 4.133 0.000 . 1 . . . . 66 K HA . 17150 1 710 . 1 1 66 66 LYS HB3 H 1 1.840 0.000 . 2 . . . . 66 K HB3 . 17150 1 711 . 1 1 66 66 LYS C C 13 179.100 0.000 . 1 . . . . 66 K C . 17150 1 712 . 1 1 66 66 LYS CA C 13 59.623 0.016 . 1 . . . . 66 K CA . 17150 1 713 . 1 1 66 66 LYS CB C 13 31.801 0.034 . 1 . . . . 66 K CB . 17150 1 714 . 1 1 66 66 LYS N N 15 117.230 0.032 . 1 . . . . 66 K N . 17150 1 715 . 1 1 67 67 ARG H H 1 7.753 0.001 . 1 . . . . 67 R H . 17150 1 716 . 1 1 67 67 ARG HA H 1 4.181 0.000 . 1 . . . . 67 R HA . 17150 1 717 . 1 1 67 67 ARG HB2 H 1 1.868 0.011 . 2 . . . . 67 R HB2 . 17150 1 718 . 1 1 67 67 ARG HB3 H 1 1.665 0.000 . 2 . . . . 67 R HB3 . 17150 1 719 . 1 1 67 67 ARG HD2 H 1 3.274 0.003 . 2 . . . . 67 R HD2 . 17150 1 720 . 1 1 67 67 ARG HD3 H 1 3.169 0.001 . 2 . . . . 67 R HD3 . 17150 1 721 . 1 1 67 67 ARG HG3 H 1 1.645 0.000 . 2 . . . . 67 R HG3 . 17150 1 722 . 1 1 67 67 ARG C C 13 179.436 0.000 . 1 . . . . 67 R C . 17150 1 723 . 1 1 67 67 ARG CA C 13 58.538 0.012 . 1 . . . . 67 R CA . 17150 1 724 . 1 1 67 67 ARG CB C 13 29.893 0.056 . 1 . . . . 67 R CB . 17150 1 725 . 1 1 67 67 ARG CD C 13 43.171 0.039 . 1 . . . . 67 R CD . 17150 1 726 . 1 1 67 67 ARG CG C 13 27.184 0.000 . 1 . . . . 67 R CG . 17150 1 727 . 1 1 67 67 ARG N N 15 118.546 0.013 . 1 . . . . 67 R N . 17150 1 728 . 1 1 68 68 LEU H H 1 7.992 0.002 . 1 . . . . 68 L H . 17150 1 729 . 1 1 68 68 LEU HA H 1 4.121 0.004 . 1 . . . . 68 L HA . 17150 1 730 . 1 1 68 68 LEU HB2 H 1 1.319 0.003 . 2 . . . . 68 L HB2 . 17150 1 731 . 1 1 68 68 LEU HB3 H 1 1.729 0.002 . 2 . . . . 68 L HB3 . 17150 1 732 . 1 1 68 68 LEU HD11 H 1 0.778 0.003 . 2 . . . . 68 L QD1 . 17150 1 733 . 1 1 68 68 LEU HD12 H 1 0.778 0.003 . 2 . . . . 68 L QD1 . 17150 1 734 . 1 1 68 68 LEU HD13 H 1 0.778 0.003 . 2 . . . . 68 L QD1 . 17150 1 735 . 1 1 68 68 LEU HD21 H 1 0.804 0.000 . 2 . . . . 68 L QD2 . 17150 1 736 . 1 1 68 68 LEU HD22 H 1 0.804 0.000 . 2 . . . . 68 L QD2 . 17150 1 737 . 1 1 68 68 LEU HD23 H 1 0.804 0.000 . 2 . . . . 68 L QD2 . 17150 1 738 . 1 1 68 68 LEU C C 13 179.431 0.000 . 1 . . . . 68 L C . 17150 1 739 . 1 1 68 68 LEU CA C 13 57.783 0.186 . 1 . . . . 68 L CA . 17150 1 740 . 1 1 68 68 LEU CB C 13 41.090 0.141 . 1 . . . . 68 L CB . 17150 1 741 . 1 1 68 68 LEU CD1 C 13 26.325 0.051 . 2 . . . . 68 L CD1 . 17150 1 742 . 1 1 68 68 LEU CD2 C 13 22.921 0.009 . 2 . . . . 68 L CD2 . 17150 1 743 . 1 1 68 68 LEU N N 15 119.749 0.027 . 1 . . . . 68 L N . 17150 1 744 . 1 1 69 69 GLU H H 1 8.680 0.001 . 1 . . . . 69 E H . 17150 1 745 . 1 1 69 69 GLU HA H 1 4.634 0.002 . 1 . . . . 69 E HA . 17150 1 746 . 1 1 69 69 GLU HB2 H 1 2.222 0.003 . 2 . . . . 69 E HB2 . 17150 1 747 . 1 1 69 69 GLU HB3 H 1 1.953 0.001 . 2 . . . . 69 E HB3 . 17150 1 748 . 1 1 69 69 GLU HG2 H 1 2.493 0.000 . 2 . . . . 69 E HG2 . 17150 1 749 . 1 1 69 69 GLU HG3 H 1 2.184 0.000 . 2 . . . . 69 E HG3 . 17150 1 750 . 1 1 69 69 GLU C C 13 178.460 0.000 . 1 . . . . 69 E C . 17150 1 751 . 1 1 69 69 GLU CA C 13 57.967 0.024 . 1 . . . . 69 E CA . 17150 1 752 . 1 1 69 69 GLU CB C 13 29.991 0.095 . 1 . . . . 69 E CB . 17150 1 753 . 1 1 69 69 GLU CG C 13 38.033 0.027 . 1 . . . . 69 E CG . 17150 1 754 . 1 1 69 69 GLU N N 15 120.475 0.020 . 1 . . . . 69 E N . 17150 1 755 . 1 1 70 70 GLU H H 1 7.500 0.001 . 1 . . . . 70 E H . 17150 1 756 . 1 1 70 70 GLU HA H 1 4.059 0.005 . 1 . . . . 70 E HA . 17150 1 757 . 1 1 70 70 GLU HB2 H 1 2.204 0.001 . 2 . . . . 70 E HB2 . 17150 1 758 . 1 1 70 70 GLU HB3 H 1 2.103 0.006 . 2 . . . . 70 E HB3 . 17150 1 759 . 1 1 70 70 GLU HG2 H 1 2.621 0.000 . 2 . . . . 70 E HG2 . 17150 1 760 . 1 1 70 70 GLU HG3 H 1 2.313 0.001 . 2 . . . . 70 E HG3 . 17150 1 761 . 1 1 70 70 GLU C C 13 178.443 0.000 . 1 . . . . 70 E C . 17150 1 762 . 1 1 70 70 GLU CA C 13 59.056 0.099 . 1 . . . . 70 E CA . 17150 1 763 . 1 1 70 70 GLU CB C 13 29.649 0.073 . 1 . . . . 70 E CB . 17150 1 764 . 1 1 70 70 GLU CG C 13 36.595 0.032 . 1 . . . . 70 E CG . 17150 1 765 . 1 1 70 70 GLU N N 15 117.007 0.053 . 1 . . . . 70 E N . 17150 1 766 . 1 1 71 71 ILE H H 1 7.671 0.002 . 1 . . . . 71 I H . 17150 1 767 . 1 1 71 71 ILE HA H 1 4.002 0.007 . 1 . . . . 71 I HA . 17150 1 768 . 1 1 71 71 ILE HB H 1 2.168 0.005 . 1 . . . . 71 I HB . 17150 1 769 . 1 1 71 71 ILE HD11 H 1 0.908 0.000 . 1 . . . . 71 I QD1 . 17150 1 770 . 1 1 71 71 ILE HD12 H 1 0.908 0.000 . 1 . . . . 71 I QD1 . 17150 1 771 . 1 1 71 71 ILE HD13 H 1 0.908 0.000 . 1 . . . . 71 I QD1 . 17150 1 772 . 1 1 71 71 ILE HG12 H 1 1.159 0.002 . 2 . . . . 71 I HG12 . 17150 1 773 . 1 1 71 71 ILE HG13 H 1 1.701 0.005 . 2 . . . . 71 I HG13 . 17150 1 774 . 1 1 71 71 ILE HG21 H 1 0.798 0.000 . 1 . . . . 71 I QG2 . 17150 1 775 . 1 1 71 71 ILE HG22 H 1 0.798 0.000 . 1 . . . . 71 I QG2 . 17150 1 776 . 1 1 71 71 ILE HG23 H 1 0.798 0.000 . 1 . . . . 71 I QG2 . 17150 1 777 . 1 1 71 71 ILE C C 13 177.901 0.000 . 1 . . . . 71 I C . 17150 1 778 . 1 1 71 71 ILE CA C 13 62.913 0.047 . 1 . . . . 71 I CA . 17150 1 779 . 1 1 71 71 ILE CB C 13 38.744 0.028 . 1 . . . . 71 I CB . 17150 1 780 . 1 1 71 71 ILE CD1 C 13 13.906 0.000 . 1 . . . . 71 I CD1 . 17150 1 781 . 1 1 71 71 ILE CG1 C 13 28.217 0.119 . 1 . . . . 71 I CG1 . 17150 1 782 . 1 1 71 71 ILE CG2 C 13 17.636 0.000 . 1 . . . . 71 I CG2 . 17150 1 783 . 1 1 71 71 ILE N N 15 115.973 0.039 . 1 . . . . 71 I N . 17150 1 784 . 1 1 72 72 THR H H 1 7.921 0.001 . 1 . . . . 72 T H . 17150 1 785 . 1 1 72 72 THR HA H 1 3.875 0.006 . 1 . . . . 72 T HA . 17150 1 786 . 1 1 72 72 THR HB H 1 4.761 0.000 . 1 . . . . 72 T HB . 17150 1 787 . 1 1 72 72 THR HG21 H 1 0.992 0.001 . 1 . . . . 72 T QG2 . 17150 1 788 . 1 1 72 72 THR HG22 H 1 0.992 0.001 . 1 . . . . 72 T QG2 . 17150 1 789 . 1 1 72 72 THR HG23 H 1 0.992 0.001 . 1 . . . . 72 T QG2 . 17150 1 790 . 1 1 72 72 THR C C 13 177.198 0.000 . 1 . . . . 72 T C . 17150 1 791 . 1 1 72 72 THR CA C 13 65.020 0.199 . 1 . . . . 72 T CA . 17150 1 792 . 1 1 72 72 THR CB C 13 67.260 0.046 . 1 . . . . 72 T CB . 17150 1 793 . 1 1 72 72 THR CG2 C 13 22.159 0.024 . 1 . . . . 72 T CG2 . 17150 1 794 . 1 1 72 72 THR N N 15 109.628 0.022 . 1 . . . . 72 T N . 17150 1 795 . 1 1 73 73 LYS H H 1 8.876 0.002 . 1 . . . . 73 K H . 17150 1 796 . 1 1 73 73 LYS HA H 1 4.296 0.003 . 1 . . . . 73 K HA . 17150 1 797 . 1 1 73 73 LYS HB2 H 1 2.042 0.000 . 2 . . . . 73 K HB2 . 17150 1 798 . 1 1 73 73 LYS HB3 H 1 1.948 0.000 . 2 . . . . 73 K HB3 . 17150 1 799 . 1 1 73 73 LYS CA C 13 61.713 0.001 . 1 . . . . 73 K CA . 17150 1 800 . 1 1 73 73 LYS CB C 13 29.883 0.031 . 1 . . . . 73 K CB . 17150 1 801 . 1 1 73 73 LYS N N 15 125.770 0.023 . 1 . . . . 73 K N . 17150 1 802 . 1 1 74 74 PRO HA H 1 4.425 0.000 . 1 . . . . 74 P HA . 17150 1 803 . 1 1 74 74 PRO HB2 H 1 1.788 0.000 . 2 . . . . 74 P HB2 . 17150 1 804 . 1 1 74 74 PRO HB3 H 1 2.420 0.000 . 2 . . . . 74 P HB3 . 17150 1 805 . 1 1 74 74 PRO HD2 H 1 3.484 0.000 . 2 . . . . 74 P HD2 . 17150 1 806 . 1 1 74 74 PRO HD3 H 1 3.684 0.000 . 2 . . . . 74 P HD3 . 17150 1 807 . 1 1 74 74 PRO C C 13 177.529 0.000 . 1 . . . . 74 P C . 17150 1 808 . 1 1 74 74 PRO CA C 13 65.475 0.094 . 1 . . . . 74 P CA . 17150 1 809 . 1 1 74 74 PRO CB C 13 31.353 0.029 . 1 . . . . 74 P CB . 17150 1 810 . 1 1 74 74 PRO CD C 13 50.965 0.006 . 1 . . . . 74 P CD . 17150 1 811 . 1 1 75 75 LYS H H 1 7.023 0.001 . 1 . . . . 75 K H . 17150 1 812 . 1 1 75 75 LYS HA H 1 4.407 0.006 . 1 . . . . 75 K HA . 17150 1 813 . 1 1 75 75 LYS HB2 H 1 2.152 0.000 . 2 . . . . 75 K HB2 . 17150 1 814 . 1 1 75 75 LYS HB3 H 1 1.742 0.000 . 2 . . . . 75 K HB3 . 17150 1 815 . 1 1 75 75 LYS HD3 H 1 1.541 0.000 . 2 . . . . 75 K HD3 . 17150 1 816 . 1 1 75 75 LYS HG2 H 1 1.534 0.000 . 2 . . . . 75 K HG2 . 17150 1 817 . 1 1 75 75 LYS HG3 H 1 1.492 0.000 . 2 . . . . 75 K HG3 . 17150 1 818 . 1 1 75 75 LYS C C 13 176.843 0.000 . 1 . . . . 75 K C . 17150 1 819 . 1 1 75 75 LYS CA C 13 55.461 0.096 . 1 . . . . 75 K CA . 17150 1 820 . 1 1 75 75 LYS CB C 13 34.298 0.024 . 1 . . . . 75 K CB . 17150 1 821 . 1 1 75 75 LYS CD C 13 29.401 0.000 . 1 . . . . 75 K CD . 17150 1 822 . 1 1 75 75 LYS CG C 13 25.714 0.003 . 1 . . . . 75 K CG . 17150 1 823 . 1 1 75 75 LYS N N 15 113.515 0.025 . 1 . . . . 75 K N . 17150 1 824 . 1 1 76 76 GLY H H 1 8.246 0.002 . 1 . . . . 76 G H . 17150 1 825 . 1 1 76 76 GLY HA2 H 1 3.872 0.002 . 2 . . . . 76 G HA2 . 17150 1 826 . 1 1 76 76 GLY HA3 H 1 4.017 0.004 . 2 . . . . 76 G HA3 . 17150 1 827 . 1 1 76 76 GLY C C 13 174.369 0.000 . 1 . . . . 76 G C . 17150 1 828 . 1 1 76 76 GLY CA C 13 46.328 0.060 . 1 . . . . 76 G CA . 17150 1 829 . 1 1 76 76 GLY N N 15 109.435 0.047 . 1 . . . . 76 G N . 17150 1 830 . 1 1 77 77 ILE H H 1 7.226 0.002 . 1 . . . . 77 I H . 17150 1 831 . 1 1 77 77 ILE HA H 1 4.457 0.000 . 1 . . . . 77 I HA . 17150 1 832 . 1 1 77 77 ILE HB H 1 1.434 0.008 . 1 . . . . 77 I HB . 17150 1 833 . 1 1 77 77 ILE HD11 H 1 0.900 0.003 . 1 . . . . 77 I QD1 . 17150 1 834 . 1 1 77 77 ILE HD12 H 1 0.900 0.003 . 1 . . . . 77 I QD1 . 17150 1 835 . 1 1 77 77 ILE HD13 H 1 0.900 0.003 . 1 . . . . 77 I QD1 . 17150 1 836 . 1 1 77 77 ILE HG12 H 1 1.501 0.001 . 2 . . . . 77 I HG12 . 17150 1 837 . 1 1 77 77 ILE HG13 H 1 1.062 0.001 . 2 . . . . 77 I HG13 . 17150 1 838 . 1 1 77 77 ILE HG21 H 1 0.761 0.005 . 1 . . . . 77 I QG2 . 17150 1 839 . 1 1 77 77 ILE HG22 H 1 0.761 0.005 . 1 . . . . 77 I QG2 . 17150 1 840 . 1 1 77 77 ILE HG23 H 1 0.761 0.005 . 1 . . . . 77 I QG2 . 17150 1 841 . 1 1 77 77 ILE CA C 13 58.527 0.000 . 1 . . . . 77 I CA . 17150 1 842 . 1 1 77 77 ILE CB C 13 41.141 0.068 . 1 . . . . 77 I CB . 17150 1 843 . 1 1 77 77 ILE CD1 C 13 15.726 0.095 . 1 . . . . 77 I CD1 . 17150 1 844 . 1 1 77 77 ILE CG1 C 13 27.598 0.152 . 1 . . . . 77 I CG1 . 17150 1 845 . 1 1 77 77 ILE CG2 C 13 16.245 0.000 . 1 . . . . 77 I CG2 . 17150 1 846 . 1 1 77 77 ILE N N 15 122.001 0.034 . 1 . . . . 77 I N . 17150 1 847 . 1 1 78 78 PRO HA H 1 4.420 0.005 . 1 . . . . 78 P HA . 17150 1 848 . 1 1 78 78 PRO HB2 H 1 1.863 0.003 . 2 . . . . 78 P HB2 . 17150 1 849 . 1 1 78 78 PRO HB3 H 1 2.383 0.005 . 2 . . . . 78 P HB3 . 17150 1 850 . 1 1 78 78 PRO HD2 H 1 4.069 0.000 . 2 . . . . 78 P HD2 . 17150 1 851 . 1 1 78 78 PRO HD3 H 1 4.550 0.009 . 2 . . . . 78 P HD3 . 17150 1 852 . 1 1 78 78 PRO HG2 H 1 2.078 0.002 . 2 . . . . 78 P HG2 . 17150 1 853 . 1 1 78 78 PRO HG3 H 1 1.973 0.001 . 2 . . . . 78 P HG3 . 17150 1 854 . 1 1 78 78 PRO C C 13 174.394 0.000 . 1 . . . . 78 P C . 17150 1 855 . 1 1 78 78 PRO CA C 13 63.044 0.068 . 1 . . . . 78 P CA . 17150 1 856 . 1 1 78 78 PRO CB C 13 33.400 0.194 . 1 . . . . 78 P CB . 17150 1 857 . 1 1 78 78 PRO CD C 13 50.875 0.190 . 1 . . . . 78 P CD . 17150 1 858 . 1 1 78 78 PRO CG C 13 28.167 0.042 . 1 . . . . 78 P CG . 17150 1 859 . 1 1 79 79 ILE H H 1 8.049 0.003 . 1 . . . . 79 I H . 17150 1 860 . 1 1 79 79 ILE HA H 1 5.438 0.005 . 1 . . . . 79 I HA . 17150 1 861 . 1 1 79 79 ILE HB H 1 1.557 0.001 . 1 . . . . 79 I HB . 17150 1 862 . 1 1 79 79 ILE HD11 H 1 0.767 0.006 . 1 . . . . 79 I QD1 . 17150 1 863 . 1 1 79 79 ILE HD12 H 1 0.767 0.006 . 1 . . . . 79 I QD1 . 17150 1 864 . 1 1 79 79 ILE HD13 H 1 0.767 0.006 . 1 . . . . 79 I QD1 . 17150 1 865 . 1 1 79 79 ILE HG12 H 1 1.630 0.002 . 2 . . . . 79 I HG12 . 17150 1 866 . 1 1 79 79 ILE HG13 H 1 0.668 0.003 . 2 . . . . 79 I HG13 . 17150 1 867 . 1 1 79 79 ILE HG21 H 1 0.740 0.004 . 1 . . . . 79 I QG2 . 17150 1 868 . 1 1 79 79 ILE HG22 H 1 0.740 0.004 . 1 . . . . 79 I QG2 . 17150 1 869 . 1 1 79 79 ILE HG23 H 1 0.740 0.004 . 1 . . . . 79 I QG2 . 17150 1 870 . 1 1 79 79 ILE C C 13 175.617 0.000 . 1 . . . . 79 I C . 17150 1 871 . 1 1 79 79 ILE CA C 13 58.973 0.066 . 1 . . . . 79 I CA . 17150 1 872 . 1 1 79 79 ILE CB C 13 40.929 0.072 . 1 . . . . 79 I CB . 17150 1 873 . 1 1 79 79 ILE CD1 C 13 15.465 0.076 . 1 . . . . 79 I CD1 . 17150 1 874 . 1 1 79 79 ILE CG1 C 13 27.599 0.118 . 1 . . . . 79 I CG1 . 17150 1 875 . 1 1 79 79 ILE CG2 C 13 17.534 0.172 . 1 . . . . 79 I CG2 . 17150 1 876 . 1 1 79 79 ILE N N 15 118.022 0.027 . 1 . . . . 79 I N . 17150 1 877 . 1 1 80 80 GLU H H 1 8.629 0.003 . 1 . . . . 80 E H . 17150 1 878 . 1 1 80 80 GLU HA H 1 4.805 0.000 . 1 . . . . 80 E HA . 17150 1 879 . 1 1 80 80 GLU HB2 H 1 1.932 0.003 . 2 . . . . 80 E HB2 . 17150 1 880 . 1 1 80 80 GLU HB3 H 1 1.411 0.002 . 2 . . . . 80 E HB3 . 17150 1 881 . 1 1 80 80 GLU HG3 H 1 2.122 0.005 . 2 . . . . 80 E HG3 . 17150 1 882 . 1 1 80 80 GLU C C 13 174.631 0.000 . 1 . . . . 80 E C . 17150 1 883 . 1 1 80 80 GLU CA C 13 53.506 0.003 . 1 . . . . 80 E CA . 17150 1 884 . 1 1 80 80 GLU CB C 13 34.283 0.048 . 1 . . . . 80 E CB . 17150 1 885 . 1 1 80 80 GLU CG C 13 35.191 0.077 . 1 . . . . 80 E CG . 17150 1 886 . 1 1 80 80 GLU N N 15 124.644 0.047 . 1 . . . . 80 E N . 17150 1 887 . 1 1 81 81 ILE H H 1 8.963 0.003 . 1 . . . . 81 I H . 17150 1 888 . 1 1 81 81 ILE HA H 1 4.310 0.007 . 1 . . . . 81 I HA . 17150 1 889 . 1 1 81 81 ILE HB H 1 1.632 0.009 . 1 . . . . 81 I HB . 17150 1 890 . 1 1 81 81 ILE HD11 H 1 0.829 0.001 . 1 . . . . 81 I QD1 . 17150 1 891 . 1 1 81 81 ILE HD12 H 1 0.829 0.001 . 1 . . . . 81 I QD1 . 17150 1 892 . 1 1 81 81 ILE HD13 H 1 0.829 0.001 . 1 . . . . 81 I QD1 . 17150 1 893 . 1 1 81 81 ILE HG12 H 1 1.481 0.002 . 2 . . . . 81 I HG12 . 17150 1 894 . 1 1 81 81 ILE HG13 H 1 0.835 0.001 . 2 . . . . 81 I HG13 . 17150 1 895 . 1 1 81 81 ILE HG21 H 1 0.734 0.007 . 1 . . . . 81 I QG2 . 17150 1 896 . 1 1 81 81 ILE HG22 H 1 0.734 0.007 . 1 . . . . 81 I QG2 . 17150 1 897 . 1 1 81 81 ILE HG23 H 1 0.734 0.007 . 1 . . . . 81 I QG2 . 17150 1 898 . 1 1 81 81 ILE C C 13 175.400 0.000 . 1 . . . . 81 I C . 17150 1 899 . 1 1 81 81 ILE CA C 13 60.335 0.061 . 1 . . . . 81 I CA . 17150 1 900 . 1 1 81 81 ILE CB C 13 39.574 0.050 . 1 . . . . 81 I CB . 17150 1 901 . 1 1 81 81 ILE CD1 C 13 14.220 0.046 . 1 . . . . 81 I CD1 . 17150 1 902 . 1 1 81 81 ILE CG1 C 13 28.359 0.087 . 1 . . . . 81 I CG1 . 17150 1 903 . 1 1 81 81 ILE CG2 C 13 17.844 0.190 . 1 . . . . 81 I CG2 . 17150 1 904 . 1 1 81 81 ILE N N 15 121.939 0.030 . 1 . . . . 81 I N . 17150 1 905 . 1 1 82 82 ILE H H 1 8.539 0.001 . 1 . . . . 82 I H . 17150 1 906 . 1 1 82 82 ILE HA H 1 3.833 0.009 . 1 . . . . 82 I HA . 17150 1 907 . 1 1 82 82 ILE HB H 1 1.530 0.003 . 1 . . . . 82 I HB . 17150 1 908 . 1 1 82 82 ILE HD11 H 1 0.768 0.000 . 1 . . . . 82 I QD1 . 17150 1 909 . 1 1 82 82 ILE HD12 H 1 0.768 0.000 . 1 . . . . 82 I QD1 . 17150 1 910 . 1 1 82 82 ILE HD13 H 1 0.768 0.000 . 1 . . . . 82 I QD1 . 17150 1 911 . 1 1 82 82 ILE HG12 H 1 0.770 0.001 . 2 . . . . 82 I HG12 . 17150 1 912 . 1 1 82 82 ILE HG13 H 1 1.659 0.000 . 2 . . . . 82 I HG13 . 17150 1 913 . 1 1 82 82 ILE HG21 H 1 1.228 0.000 . 1 . . . . 82 I QG2 . 17150 1 914 . 1 1 82 82 ILE HG22 H 1 1.228 0.000 . 1 . . . . 82 I QG2 . 17150 1 915 . 1 1 82 82 ILE HG23 H 1 1.228 0.000 . 1 . . . . 82 I QG2 . 17150 1 916 . 1 1 82 82 ILE C C 13 174.967 0.000 . 1 . . . . 82 I C . 17150 1 917 . 1 1 82 82 ILE CA C 13 61.779 0.056 . 1 . . . . 82 I CA . 17150 1 918 . 1 1 82 82 ILE CB C 13 39.462 0.029 . 1 . . . . 82 I CB . 17150 1 919 . 1 1 82 82 ILE CD1 C 13 14.917 0.000 . 1 . . . . 82 I CD1 . 17150 1 920 . 1 1 82 82 ILE CG1 C 13 28.558 0.027 . 1 . . . . 82 I CG1 . 17150 1 921 . 1 1 82 82 ILE CG2 C 13 18.674 0.007 . 1 . . . . 82 I CG2 . 17150 1 922 . 1 1 82 82 ILE N N 15 127.904 0.031 . 1 . . . . 82 I N . 17150 1 923 . 1 1 83 83 ASN H H 1 8.906 0.002 . 1 . . . . 83 N H . 17150 1 924 . 1 1 83 83 ASN HA H 1 4.567 0.011 . 1 . . . . 83 N HA . 17150 1 925 . 1 1 83 83 ASN HB2 H 1 2.863 0.002 . 2 . . . . 83 N HB2 . 17150 1 926 . 1 1 83 83 ASN HB3 H 1 3.071 0.003 . 2 . . . . 83 N HB3 . 17150 1 927 . 1 1 83 83 ASN HD21 H 1 7.784 0.000 . 2 . . . . 83 N HD21 . 17150 1 928 . 1 1 83 83 ASN HD22 H 1 7.169 0.000 . 2 . . . . 83 N HD22 . 17150 1 929 . 1 1 83 83 ASN C C 13 176.137 0.000 . 1 . . . . 83 N C . 17150 1 930 . 1 1 83 83 ASN CA C 13 53.924 0.040 . 1 . . . . 83 N CA . 17150 1 931 . 1 1 83 83 ASN CB C 13 39.560 0.072 . 1 . . . . 83 N CB . 17150 1 932 . 1 1 83 83 ASN N N 15 125.728 0.029 . 1 . . . . 83 N N . 17150 1 933 . 1 1 83 83 ASN ND2 N 15 115.100 0.005 . 1 . . . . 83 N ND2 . 17150 1 934 . 1 1 84 84 THR H H 1 8.573 0.002 . 1 . . . . 84 T H . 17150 1 935 . 1 1 84 84 THR HA H 1 3.834 0.001 . 1 . . . . 84 T HA . 17150 1 936 . 1 1 84 84 THR HB H 1 4.175 0.002 . 1 . . . . 84 T HB . 17150 1 937 . 1 1 84 84 THR HG21 H 1 1.302 0.000 . 1 . . . . 84 T QG2 . 17150 1 938 . 1 1 84 84 THR HG22 H 1 1.302 0.000 . 1 . . . . 84 T QG2 . 17150 1 939 . 1 1 84 84 THR HG23 H 1 1.302 0.000 . 1 . . . . 84 T QG2 . 17150 1 940 . 1 1 84 84 THR C C 13 176.958 0.000 . 1 . . . . 84 T C . 17150 1 941 . 1 1 84 84 THR CA C 13 66.770 0.034 . 1 . . . . 84 T CA . 17150 1 942 . 1 1 84 84 THR CB C 13 68.816 0.118 . 1 . . . . 84 T CB . 17150 1 943 . 1 1 84 84 THR CG2 C 13 21.862 0.000 . 1 . . . . 84 T CG2 . 17150 1 944 . 1 1 84 84 THR N N 15 116.840 0.036 . 1 . . . . 84 T N . 17150 1 945 . 1 1 85 85 ILE H H 1 8.208 0.002 . 1 . . . . 85 I H . 17150 1 946 . 1 1 85 85 ILE HA H 1 4.029 0.006 . 1 . . . . 85 I HA . 17150 1 947 . 1 1 85 85 ILE HB H 1 1.962 0.008 . 1 . . . . 85 I HB . 17150 1 948 . 1 1 85 85 ILE HD11 H 1 0.857 0.000 . 1 . . . . 85 I QD1 . 17150 1 949 . 1 1 85 85 ILE HD12 H 1 0.857 0.000 . 1 . . . . 85 I QD1 . 17150 1 950 . 1 1 85 85 ILE HD13 H 1 0.857 0.000 . 1 . . . . 85 I QD1 . 17150 1 951 . 1 1 85 85 ILE HG12 H 1 1.254 0.000 . 2 . . . . 85 I HG12 . 17150 1 952 . 1 1 85 85 ILE HG13 H 1 1.564 0.001 . 2 . . . . 85 I HG13 . 17150 1 953 . 1 1 85 85 ILE HG21 H 1 0.905 0.000 . 1 . . . . 85 I QG2 . 17150 1 954 . 1 1 85 85 ILE HG22 H 1 0.905 0.000 . 1 . . . . 85 I QG2 . 17150 1 955 . 1 1 85 85 ILE HG23 H 1 0.905 0.000 . 1 . . . . 85 I QG2 . 17150 1 956 . 1 1 85 85 ILE C C 13 178.741 0.000 . 1 . . . . 85 I C . 17150 1 957 . 1 1 85 85 ILE CA C 13 63.797 0.072 . 1 . . . . 85 I CA . 17150 1 958 . 1 1 85 85 ILE CB C 13 37.238 0.115 . 1 . . . . 85 I CB . 17150 1 959 . 1 1 85 85 ILE CD1 C 13 12.104 0.000 . 1 . . . . 85 I CD1 . 17150 1 960 . 1 1 85 85 ILE CG1 C 13 28.801 0.164 . 1 . . . . 85 I CG1 . 17150 1 961 . 1 1 85 85 ILE CG2 C 13 17.339 0.000 . 1 . . . . 85 I CG2 . 17150 1 962 . 1 1 85 85 ILE N N 15 123.745 0.038 . 1 . . . . 85 I N . 17150 1 963 . 1 1 86 86 ASP H H 1 8.110 0.002 . 1 . . . . 86 D H . 17150 1 964 . 1 1 86 86 ASP HA H 1 4.251 0.010 . 1 . . . . 86 D HA . 17150 1 965 . 1 1 86 86 ASP HB2 H 1 2.529 0.008 . 2 . . . . 86 D HB2 . 17150 1 966 . 1 1 86 86 ASP HB3 H 1 2.346 0.001 . 2 . . . . 86 D HB3 . 17150 1 967 . 1 1 86 86 ASP C C 13 177.286 0.000 . 1 . . . . 86 D C . 17150 1 968 . 1 1 86 86 ASP CA C 13 57.418 0.085 . 1 . . . . 86 D CA . 17150 1 969 . 1 1 86 86 ASP CB C 13 40.248 0.144 . 1 . . . . 86 D CB . 17150 1 970 . 1 1 86 86 ASP N N 15 124.066 0.019 . 1 . . . . 86 D N . 17150 1 971 . 1 1 87 87 TYR H H 1 8.279 0.001 . 1 . . . . 87 Y H . 17150 1 972 . 1 1 87 87 TYR HA H 1 3.912 0.011 . 1 . . . . 87 Y HA . 17150 1 973 . 1 1 87 87 TYR HB2 H 1 2.970 0.011 . 2 . . . . 87 Y HB2 . 17150 1 974 . 1 1 87 87 TYR HB3 H 1 2.858 0.003 . 2 . . . . 87 Y HB3 . 17150 1 975 . 1 1 87 87 TYR HD1 H 1 6.965 0.000 . 3 . . . . 87 Y QD . 17150 1 976 . 1 1 87 87 TYR HD2 H 1 6.965 0.000 . 3 . . . . 87 Y QD . 17150 1 977 . 1 1 87 87 TYR HE1 H 1 6.738 0.000 . 3 . . . . 87 Y QE . 17150 1 978 . 1 1 87 87 TYR HE2 H 1 6.738 0.000 . 3 . . . . 87 Y QE . 17150 1 979 . 1 1 87 87 TYR C C 13 178.812 0.000 . 1 . . . . 87 Y C . 17150 1 980 . 1 1 87 87 TYR CA C 13 62.260 0.127 . 1 . . . . 87 Y CA . 17150 1 981 . 1 1 87 87 TYR CB C 13 39.374 0.035 . 1 . . . . 87 Y CB . 17150 1 982 . 1 1 87 87 TYR N N 15 117.796 0.014 . 1 . . . . 87 Y N . 17150 1 983 . 1 1 88 88 GLY H H 1 8.545 0.001 . 1 . . . . 88 G H . 17150 1 984 . 1 1 88 88 GLY HA2 H 1 3.871 0.001 . 2 . . . . 88 G HA2 . 17150 1 985 . 1 1 88 88 GLY HA3 H 1 4.124 0.000 . 2 . . . . 88 G HA3 . 17150 1 986 . 1 1 88 88 GLY C C 13 175.983 0.000 . 1 . . . . 88 G C . 17150 1 987 . 1 1 88 88 GLY CA C 13 46.968 0.048 . 1 . . . . 88 G CA . 17150 1 988 . 1 1 88 88 GLY N N 15 106.852 0.011 . 1 . . . . 88 G N . 17150 1 989 . 1 1 89 89 THR H H 1 7.917 0.001 . 1 . . . . 89 T H . 17150 1 990 . 1 1 89 89 THR HA H 1 4.337 0.006 . 1 . . . . 89 T HA . 17150 1 991 . 1 1 89 89 THR HB H 1 4.414 0.004 . 1 . . . . 89 T HB . 17150 1 992 . 1 1 89 89 THR HG21 H 1 1.313 0.002 . 1 . . . . 89 T QG2 . 17150 1 993 . 1 1 89 89 THR HG22 H 1 1.313 0.002 . 1 . . . . 89 T QG2 . 17150 1 994 . 1 1 89 89 THR HG23 H 1 1.313 0.002 . 1 . . . . 89 T QG2 . 17150 1 995 . 1 1 89 89 THR C C 13 174.239 0.000 . 1 . . . . 89 T C . 17150 1 996 . 1 1 89 89 THR CA C 13 61.799 0.123 . 1 . . . . 89 T CA . 17150 1 997 . 1 1 89 89 THR CB C 13 69.911 0.061 . 1 . . . . 89 T CB . 17150 1 998 . 1 1 89 89 THR CG2 C 13 21.615 0.069 . 1 . . . . 89 T CG2 . 17150 1 999 . 1 1 89 89 THR N N 15 108.243 0.023 . 1 . . . . 89 T N . 17150 1 1000 . 1 1 90 90 MET H H 1 7.637 0.001 . 1 . . . . 90 M H . 17150 1 1001 . 1 1 90 90 MET HA H 1 3.521 0.008 . 1 . . . . 90 M HA . 17150 1 1002 . 1 1 90 90 MET HB3 H 1 1.598 0.000 . 2 . . . . 90 M HB3 . 17150 1 1003 . 1 1 90 90 MET HE1 H 1 1.987 0.000 . 1 . . . . 90 M QE . 17150 1 1004 . 1 1 90 90 MET HE2 H 1 1.987 0.000 . 1 . . . . 90 M QE . 17150 1 1005 . 1 1 90 90 MET HE3 H 1 1.987 0.000 . 1 . . . . 90 M QE . 17150 1 1006 . 1 1 90 90 MET HG2 H 1 2.375 0.000 . 2 . . . . 90 M HG2 . 17150 1 1007 . 1 1 90 90 MET HG3 H 1 2.263 0.000 . 2 . . . . 90 M HG3 . 17150 1 1008 . 1 1 90 90 MET C C 13 174.496 0.000 . 1 . . . . 90 M C . 17150 1 1009 . 1 1 90 90 MET CA C 13 56.099 0.040 . 1 . . . . 90 M CA . 17150 1 1010 . 1 1 90 90 MET CB C 13 30.830 0.040 . 1 . . . . 90 M CB . 17150 1 1011 . 1 1 90 90 MET CE C 13 17.442 0.024 . 1 . . . . 90 M CE . 17150 1 1012 . 1 1 90 90 MET CG C 13 32.123 0.008 . 1 . . . . 90 M CG . 17150 1 1013 . 1 1 90 90 MET N N 15 119.863 0.018 . 1 . . . . 90 M N . 17150 1 1014 . 1 1 91 91 ASN H H 1 8.234 0.002 . 1 . . . . 91 N H . 17150 1 1015 . 1 1 91 91 ASN HA H 1 4.509 0.011 . 1 . . . . 91 N HA . 17150 1 1016 . 1 1 91 91 ASN HB2 H 1 2.681 0.001 . 2 . . . . 91 N HB2 . 17150 1 1017 . 1 1 91 91 ASN HB3 H 1 2.888 0.008 . 2 . . . . 91 N HB3 . 17150 1 1018 . 1 1 91 91 ASN HD21 H 1 7.954 0.000 . 2 . . . . 91 N HD21 . 17150 1 1019 . 1 1 91 91 ASN HD22 H 1 7.089 0.000 . 2 . . . . 91 N HD22 . 17150 1 1020 . 1 1 91 91 ASN C C 13 174.787 0.000 . 1 . . . . 91 N C . 17150 1 1021 . 1 1 91 91 ASN CA C 13 52.510 0.108 . 1 . . . . 91 N CA . 17150 1 1022 . 1 1 91 91 ASN CB C 13 36.945 0.135 . 1 . . . . 91 N CB . 17150 1 1023 . 1 1 91 91 ASN N N 15 116.897 0.045 . 1 . . . . 91 N N . 17150 1 1024 . 1 1 91 91 ASN ND2 N 15 114.033 0.001 . 1 . . . . 91 N ND2 . 17150 1 1025 . 1 1 92 92 GLY H H 1 8.260 0.001 . 1 . . . . 92 G H . 17150 1 1026 . 1 1 92 92 GLY HA2 H 1 3.410 0.001 . 2 . . . . 92 G HA2 . 17150 1 1027 . 1 1 92 92 GLY HA3 H 1 3.299 0.005 . 2 . . . . 92 G HA3 . 17150 1 1028 . 1 1 92 92 GLY C C 13 173.268 0.000 . 1 . . . . 92 G C . 17150 1 1029 . 1 1 92 92 GLY CA C 13 47.583 0.059 . 1 . . . . 92 G CA . 17150 1 1030 . 1 1 92 92 GLY N N 15 112.823 0.045 . 1 . . . . 92 G N . 17150 1 1031 . 1 1 93 93 GLU H H 1 7.859 0.001 . 1 . . . . 93 E H . 17150 1 1032 . 1 1 93 93 GLU HA H 1 2.864 0.002 . 1 . . . . 93 E HA . 17150 1 1033 . 1 1 93 93 GLU HB2 H 1 1.596 0.001 . 2 . . . . 93 E HB2 . 17150 1 1034 . 1 1 93 93 GLU HB3 H 1 1.268 0.000 . 2 . . . . 93 E HB3 . 17150 1 1035 . 1 1 93 93 GLU HG2 H 1 1.743 0.001 . 2 . . . . 93 E HG2 . 17150 1 1036 . 1 1 93 93 GLU HG3 H 1 1.571 0.002 . 2 . . . . 93 E HG3 . 17150 1 1037 . 1 1 93 93 GLU C C 13 178.028 0.000 . 1 . . . . 93 E C . 17150 1 1038 . 1 1 93 93 GLU CA C 13 58.942 0.077 . 1 . . . . 93 E CA . 17150 1 1039 . 1 1 93 93 GLU CB C 13 29.038 0.098 . 1 . . . . 93 E CB . 17150 1 1040 . 1 1 93 93 GLU CG C 13 35.182 0.023 . 1 . . . . 93 E CG . 17150 1 1041 . 1 1 93 93 GLU N N 15 120.694 0.023 . 1 . . . . 93 E N . 17150 1 1042 . 1 1 94 94 LYS H H 1 7.182 0.001 . 1 . . . . 94 K H . 17150 1 1043 . 1 1 94 94 LYS HA H 1 3.861 0.011 . 1 . . . . 94 K HA . 17150 1 1044 . 1 1 94 94 LYS HB2 H 1 1.711 0.000 . 2 . . . . 94 K HB2 . 17150 1 1045 . 1 1 94 94 LYS HB3 H 1 1.380 0.000 . 2 . . . . 94 K HB3 . 17150 1 1046 . 1 1 94 94 LYS HE3 H 1 2.928 0.000 . 2 . . . . 94 K HE3 . 17150 1 1047 . 1 1 94 94 LYS HG2 H 1 1.239 0.000 . 2 . . . . 94 K HG2 . 17150 1 1048 . 1 1 94 94 LYS HG3 H 1 1.445 0.000 . 2 . . . . 94 K HG3 . 17150 1 1049 . 1 1 94 94 LYS C C 13 180.100 0.000 . 1 . . . . 94 K C . 17150 1 1050 . 1 1 94 94 LYS CA C 13 58.147 0.031 . 1 . . . . 94 K CA . 17150 1 1051 . 1 1 94 94 LYS CB C 13 32.144 0.037 . 1 . . . . 94 K CB . 17150 1 1052 . 1 1 94 94 LYS CE C 13 41.527 0.000 . 1 . . . . 94 K CE . 17150 1 1053 . 1 1 94 94 LYS CG C 13 25.231 0.026 . 1 . . . . 94 K CG . 17150 1 1054 . 1 1 94 94 LYS N N 15 116.780 0.042 . 1 . . . . 94 K N . 17150 1 1055 . 1 1 95 95 VAL H H 1 8.014 0.003 . 1 . . . . 95 V H . 17150 1 1056 . 1 1 95 95 VAL HA H 1 3.573 0.006 . 1 . . . . 95 V HA . 17150 1 1057 . 1 1 95 95 VAL HB H 1 1.822 0.005 . 1 . . . . 95 V HB . 17150 1 1058 . 1 1 95 95 VAL HG11 H 1 0.932 0.000 . 2 . . . . 95 V QG1 . 17150 1 1059 . 1 1 95 95 VAL HG12 H 1 0.932 0.000 . 2 . . . . 95 V QG1 . 17150 1 1060 . 1 1 95 95 VAL HG13 H 1 0.932 0.000 . 2 . . . . 95 V QG1 . 17150 1 1061 . 1 1 95 95 VAL HG21 H 1 0.800 0.000 . 2 . . . . 95 V QG2 . 17150 1 1062 . 1 1 95 95 VAL HG22 H 1 0.800 0.000 . 2 . . . . 95 V QG2 . 17150 1 1063 . 1 1 95 95 VAL HG23 H 1 0.800 0.000 . 2 . . . . 95 V QG2 . 17150 1 1064 . 1 1 95 95 VAL C C 13 176.852 0.000 . 1 . . . . 95 V C . 17150 1 1065 . 1 1 95 95 VAL CA C 13 67.050 0.061 . 1 . . . . 95 V CA . 17150 1 1066 . 1 1 95 95 VAL CB C 13 31.479 0.100 . 1 . . . . 95 V CB . 17150 1 1067 . 1 1 95 95 VAL CG1 C 13 23.427 0.000 . 2 . . . . 95 V CG1 . 17150 1 1068 . 1 1 95 95 VAL CG2 C 13 23.280 0.000 . 2 . . . . 95 V CG2 . 17150 1 1069 . 1 1 95 95 VAL N N 15 119.660 0.033 . 1 . . . . 95 V N . 17150 1 1070 . 1 1 96 96 LEU H H 1 8.240 0.004 . 1 . . . . 96 L H . 17150 1 1071 . 1 1 96 96 LEU HA H 1 4.022 0.008 . 1 . . . . 96 L HA . 17150 1 1072 . 1 1 96 96 LEU HB2 H 1 2.012 0.000 . 2 . . . . 96 L HB2 . 17150 1 1073 . 1 1 96 96 LEU HB3 H 1 1.606 0.000 . 2 . . . . 96 L HB3 . 17150 1 1074 . 1 1 96 96 LEU HD11 H 1 0.790 0.004 . 1 . . . . 96 L QD1 . 17150 1 1075 . 1 1 96 96 LEU HD12 H 1 0.790 0.004 . 1 . . . . 96 L QD1 . 17150 1 1076 . 1 1 96 96 LEU HD13 H 1 0.790 0.004 . 1 . . . . 96 L QD1 . 17150 1 1077 . 1 1 96 96 LEU HD21 H 1 0.979 0.001 . 1 . . . . 96 L QD2 . 17150 1 1078 . 1 1 96 96 LEU HD22 H 1 0.979 0.001 . 1 . . . . 96 L QD2 . 17150 1 1079 . 1 1 96 96 LEU HD23 H 1 0.979 0.001 . 1 . . . . 96 L QD2 . 17150 1 1080 . 1 1 96 96 LEU HG H 1 1.721 0.000 . 1 . . . . 96 L HG . 17150 1 1081 . 1 1 96 96 LEU C C 13 178.738 0.000 . 1 . . . . 96 L C . 17150 1 1082 . 1 1 96 96 LEU CA C 13 58.041 0.200 . 1 . . . . 96 L CA . 17150 1 1083 . 1 1 96 96 LEU CB C 13 40.591 0.035 . 1 . . . . 96 L CB . 17150 1 1084 . 1 1 96 96 LEU CD1 C 13 23.163 0.015 . 2 . . . . 96 L CD1 . 17150 1 1085 . 1 1 96 96 LEU CD2 C 13 26.531 0.009 . 2 . . . . 96 L CD2 . 17150 1 1086 . 1 1 96 96 LEU CG C 13 29.148 0.000 . 1 . . . . 96 L CG . 17150 1 1087 . 1 1 96 96 LEU N N 15 119.022 0.020 . 1 . . . . 96 L N . 17150 1 1088 . 1 1 97 97 GLN H H 1 8.079 0.001 . 1 . . . . 97 Q H . 17150 1 1089 . 1 1 97 97 GLN HA H 1 3.861 0.010 . 1 . . . . 97 Q HA . 17150 1 1090 . 1 1 97 97 GLN HB2 H 1 2.174 0.001 . 2 . . . . 97 Q HB2 . 17150 1 1091 . 1 1 97 97 GLN HB3 H 1 2.009 0.001 . 2 . . . . 97 Q HB3 . 17150 1 1092 . 1 1 97 97 GLN HE21 H 1 6.943 0.000 . 2 . . . . 97 Q HE21 . 17150 1 1093 . 1 1 97 97 GLN HE22 H 1 7.317 0.000 . 2 . . . . 97 Q HE22 . 17150 1 1094 . 1 1 97 97 GLN HG2 H 1 2.497 0.002 . 2 . . . . 97 Q HG2 . 17150 1 1095 . 1 1 97 97 GLN HG3 H 1 2.435 0.003 . 2 . . . . 97 Q HG3 . 17150 1 1096 . 1 1 97 97 GLN C C 13 177.706 0.000 . 1 . . . . 97 Q C . 17150 1 1097 . 1 1 97 97 GLN CA C 13 58.730 0.136 . 1 . . . . 97 Q CA . 17150 1 1098 . 1 1 97 97 GLN CB C 13 27.998 0.062 . 1 . . . . 97 Q CB . 17150 1 1099 . 1 1 97 97 GLN CG C 13 33.795 0.059 . 1 . . . . 97 Q CG . 17150 1 1100 . 1 1 97 97 GLN N N 15 116.882 0.041 . 1 . . . . 97 Q N . 17150 1 1101 . 1 1 97 97 GLN NE2 N 15 112.072 0.004 . 1 . . . . 97 Q NE2 . 17150 1 1102 . 1 1 98 98 LEU H H 1 7.653 0.001 . 1 . . . . 98 L H . 17150 1 1103 . 1 1 98 98 LEU HA H 1 4.133 0.003 . 1 . . . . 98 L HA . 17150 1 1104 . 1 1 98 98 LEU HB2 H 1 2.104 0.001 . 2 . . . . 98 L HB2 . 17150 1 1105 . 1 1 98 98 LEU HB3 H 1 1.706 0.001 . 2 . . . . 98 L HB3 . 17150 1 1106 . 1 1 98 98 LEU HD11 H 1 0.881 0.001 . 2 . . . . 98 L QD1 . 17150 1 1107 . 1 1 98 98 LEU HD12 H 1 0.881 0.001 . 2 . . . . 98 L QD1 . 17150 1 1108 . 1 1 98 98 LEU HD13 H 1 0.881 0.001 . 2 . . . . 98 L QD1 . 17150 1 1109 . 1 1 98 98 LEU HD21 H 1 0.972 0.002 . 2 . . . . 98 L QD2 . 17150 1 1110 . 1 1 98 98 LEU HD22 H 1 0.972 0.002 . 2 . . . . 98 L QD2 . 17150 1 1111 . 1 1 98 98 LEU HD23 H 1 0.972 0.002 . 2 . . . . 98 L QD2 . 17150 1 1112 . 1 1 98 98 LEU C C 13 178.897 0.000 . 1 . . . . 98 L C . 17150 1 1113 . 1 1 98 98 LEU CA C 13 58.121 0.076 . 1 . . . . 98 L CA . 17150 1 1114 . 1 1 98 98 LEU CB C 13 42.160 0.050 . 1 . . . . 98 L CB . 17150 1 1115 . 1 1 98 98 LEU CD1 C 13 26.434 0.006 . 2 . . . . 98 L CD1 . 17150 1 1116 . 1 1 98 98 LEU CD2 C 13 23.633 0.120 . 2 . . . . 98 L CD2 . 17150 1 1117 . 1 1 98 98 LEU N N 15 120.358 0.014 . 1 . . . . 98 L N . 17150 1 1118 . 1 1 99 99 ALA H H 1 7.598 0.002 . 1 . . . . 99 A H . 17150 1 1119 . 1 1 99 99 ALA HA H 1 3.968 0.004 . 1 . . . . 99 A HA . 17150 1 1120 . 1 1 99 99 ALA HB1 H 1 1.522 0.012 . 1 . . . . 99 A QB . 17150 1 1121 . 1 1 99 99 ALA HB2 H 1 1.522 0.012 . 1 . . . . 99 A QB . 17150 1 1122 . 1 1 99 99 ALA HB3 H 1 1.522 0.012 . 1 . . . . 99 A QB . 17150 1 1123 . 1 1 99 99 ALA C C 13 178.323 0.000 . 1 . . . . 99 A C . 17150 1 1124 . 1 1 99 99 ALA CA C 13 55.164 0.104 . 1 . . . . 99 A CA . 17150 1 1125 . 1 1 99 99 ALA CB C 13 18.603 0.052 . 1 . . . . 99 A CB . 17150 1 1126 . 1 1 99 99 ALA N N 15 119.972 0.033 . 1 . . . . 99 A N . 17150 1 1127 . 1 1 100 100 ILE H H 1 8.591 0.002 . 1 . . . . 100 I H . 17150 1 1128 . 1 1 100 100 ILE HA H 1 3.543 0.007 . 1 . . . . 100 I HA . 17150 1 1129 . 1 1 100 100 ILE HB H 1 1.830 0.006 . 1 . . . . 100 I HB . 17150 1 1130 . 1 1 100 100 ILE HD11 H 1 0.812 0.002 . 1 . . . . 100 I QD1 . 17150 1 1131 . 1 1 100 100 ILE HD12 H 1 0.812 0.002 . 1 . . . . 100 I QD1 . 17150 1 1132 . 1 1 100 100 ILE HD13 H 1 0.812 0.002 . 1 . . . . 100 I QD1 . 17150 1 1133 . 1 1 100 100 ILE HG12 H 1 1.715 0.000 . 2 . . . . 100 I HG12 . 17150 1 1134 . 1 1 100 100 ILE HG13 H 1 0.974 0.000 . 2 . . . . 100 I HG13 . 17150 1 1135 . 1 1 100 100 ILE HG21 H 1 0.939 0.001 . 1 . . . . 100 I QG2 . 17150 1 1136 . 1 1 100 100 ILE HG22 H 1 0.939 0.001 . 1 . . . . 100 I QG2 . 17150 1 1137 . 1 1 100 100 ILE HG23 H 1 0.939 0.001 . 1 . . . . 100 I QG2 . 17150 1 1138 . 1 1 100 100 ILE C C 13 178.255 0.000 . 1 . . . . 100 I C . 17150 1 1139 . 1 1 100 100 ILE CA C 13 65.784 0.049 . 1 . . . . 100 I CA . 17150 1 1140 . 1 1 100 100 ILE CB C 13 38.413 0.091 . 1 . . . . 100 I CB . 17150 1 1141 . 1 1 100 100 ILE CD1 C 13 13.896 0.011 . 1 . . . . 100 I CD1 . 17150 1 1142 . 1 1 100 100 ILE CG1 C 13 29.453 0.015 . 1 . . . . 100 I CG1 . 17150 1 1143 . 1 1 100 100 ILE CG2 C 13 17.214 0.127 . 1 . . . . 100 I CG2 . 17150 1 1144 . 1 1 100 100 ILE N N 15 118.382 0.041 . 1 . . . . 100 I N . 17150 1 1145 . 1 1 101 101 ASN H H 1 8.605 0.001 . 1 . . . . 101 N H . 17150 1 1146 . 1 1 101 101 ASN HA H 1 4.442 0.004 . 1 . . . . 101 N HA . 17150 1 1147 . 1 1 101 101 ASN HB2 H 1 2.932 0.002 . 2 . . . . 101 N HB2 . 17150 1 1148 . 1 1 101 101 ASN HB3 H 1 2.893 0.001 . 2 . . . . 101 N HB3 . 17150 1 1149 . 1 1 101 101 ASN HD21 H 1 7.727 0.000 . 2 . . . . 101 N HD21 . 17150 1 1150 . 1 1 101 101 ASN HD22 H 1 7.045 0.000 . 2 . . . . 101 N HD22 . 17150 1 1151 . 1 1 101 101 ASN C C 13 177.676 0.000 . 1 . . . . 101 N C . 17150 1 1152 . 1 1 101 101 ASN CA C 13 56.119 0.114 . 1 . . . . 101 N CA . 17150 1 1153 . 1 1 101 101 ASN CB C 13 37.861 0.046 . 1 . . . . 101 N CB . 17150 1 1154 . 1 1 101 101 ASN N N 15 118.442 0.032 . 1 . . . . 101 N N . 17150 1 1155 . 1 1 101 101 ASN ND2 N 15 112.359 0.002 . 1 . . . . 101 N ND2 . 17150 1 1156 . 1 1 102 102 ALA H H 1 8.033 0.002 . 1 . . . . 102 A H . 17150 1 1157 . 1 1 102 102 ALA HA H 1 4.203 0.007 . 1 . . . . 102 A HA . 17150 1 1158 . 1 1 102 102 ALA HB1 H 1 1.475 0.009 . 1 . . . . 102 A QB . 17150 1 1159 . 1 1 102 102 ALA HB2 H 1 1.475 0.009 . 1 . . . . 102 A QB . 17150 1 1160 . 1 1 102 102 ALA HB3 H 1 1.475 0.009 . 1 . . . . 102 A QB . 17150 1 1161 . 1 1 102 102 ALA C C 13 179.932 0.000 . 1 . . . . 102 A C . 17150 1 1162 . 1 1 102 102 ALA CA C 13 54.638 0.075 . 1 . . . . 102 A CA . 17150 1 1163 . 1 1 102 102 ALA CB C 13 18.279 0.097 . 1 . . . . 102 A CB . 17150 1 1164 . 1 1 102 102 ALA N N 15 121.975 0.026 . 1 . . . . 102 A N . 17150 1 1165 . 1 1 103 103 PHE H H 1 8.511 0.002 . 1 . . . . 103 F H . 17150 1 1166 . 1 1 103 103 PHE HA H 1 4.044 0.003 . 1 . . . . 103 F HA . 17150 1 1167 . 1 1 103 103 PHE HB2 H 1 3.258 0.002 . 2 . . . . 103 F HB2 . 17150 1 1168 . 1 1 103 103 PHE HB3 H 1 3.083 0.001 . 2 . . . . 103 F HB3 . 17150 1 1169 . 1 1 103 103 PHE HD1 H 1 7.175 0.000 . 3 . . . . 103 F QD . 17150 1 1170 . 1 1 103 103 PHE HD2 H 1 7.175 0.000 . 3 . . . . 103 F QD . 17150 1 1171 . 1 1 103 103 PHE HE1 H 1 7.431 0.002 . 3 . . . . 103 F QE . 17150 1 1172 . 1 1 103 103 PHE HE2 H 1 7.431 0.002 . 3 . . . . 103 F QE . 17150 1 1173 . 1 1 103 103 PHE HZ H 1 7.359 0.000 . 1 . . . . 103 F HZ . 17150 1 1174 . 1 1 103 103 PHE C C 13 177.652 0.000 . 1 . . . . 103 F C . 17150 1 1175 . 1 1 103 103 PHE CA C 13 61.293 0.151 . 1 . . . . 103 F CA . 17150 1 1176 . 1 1 103 103 PHE CB C 13 40.061 0.096 . 1 . . . . 103 F CB . 17150 1 1177 . 1 1 103 103 PHE N N 15 118.785 0.020 . 1 . . . . 103 F N . 17150 1 1178 . 1 1 104 104 ASN H H 1 8.626 0.001 . 1 . . . . 104 N H . 17150 1 1179 . 1 1 104 104 ASN HA H 1 4.468 0.009 . 1 . . . . 104 N HA . 17150 1 1180 . 1 1 104 104 ASN HB2 H 1 2.905 0.000 . 2 . . . . 104 N HB2 . 17150 1 1181 . 1 1 104 104 ASN HB3 H 1 2.845 0.006 . 2 . . . . 104 N HB3 . 17150 1 1182 . 1 1 104 104 ASN HD21 H 1 6.962 0.000 . 2 . . . . 104 N HD21 . 17150 1 1183 . 1 1 104 104 ASN HD22 H 1 7.708 0.000 . 2 . . . . 104 N HD22 . 17150 1 1184 . 1 1 104 104 ASN C C 13 176.408 0.000 . 1 . . . . 104 N C . 17150 1 1185 . 1 1 104 104 ASN CA C 13 54.811 0.145 . 1 . . . . 104 N CA . 17150 1 1186 . 1 1 104 104 ASN CB C 13 38.222 0.120 . 1 . . . . 104 N CB . 17150 1 1187 . 1 1 104 104 ASN N N 15 117.321 0.035 . 1 . . . . 104 N N . 17150 1 1188 . 1 1 104 104 ASN ND2 N 15 111.926 0.029 . 1 . . . . 104 N ND2 . 17150 1 1189 . 1 1 105 105 ASN H H 1 7.845 0.001 . 1 . . . . 105 N H . 17150 1 1190 . 1 1 105 105 ASN HA H 1 4.805 0.000 . 1 . . . . 105 N HA . 17150 1 1191 . 1 1 105 105 ASN HB2 H 1 2.769 0.005 . 2 . . . . 105 N HB2 . 17150 1 1192 . 1 1 105 105 ASN HB3 H 1 2.955 0.008 . 2 . . . . 105 N HB3 . 17150 1 1193 . 1 1 105 105 ASN HD21 H 1 7.656 0.000 . 2 . . . . 105 N HD21 . 17150 1 1194 . 1 1 105 105 ASN HD22 H 1 6.927 0.000 . 2 . . . . 105 N HD22 . 17150 1 1195 . 1 1 105 105 ASN C C 13 175.483 0.000 . 1 . . . . 105 N C . 17150 1 1196 . 1 1 105 105 ASN CA C 13 53.462 0.023 . 1 . . . . 105 N CA . 17150 1 1197 . 1 1 105 105 ASN CB C 13 38.830 0.055 . 1 . . . . 105 N CB . 17150 1 1198 . 1 1 105 105 ASN N N 15 117.450 0.035 . 1 . . . . 105 N N . 17150 1 1199 . 1 1 105 105 ASN ND2 N 15 112.709 0.002 . 1 . . . . 105 N ND2 . 17150 1 1200 . 1 1 106 106 LYS H H 1 7.543 0.001 . 1 . . . . 106 K H . 17150 1 1201 . 1 1 106 106 LYS HA H 1 4.230 0.003 . 1 . . . . 106 K HA . 17150 1 1202 . 1 1 106 106 LYS HB2 H 1 1.873 0.000 . 2 . . . . 106 K HB2 . 17150 1 1203 . 1 1 106 106 LYS HB3 H 1 1.851 0.000 . 2 . . . . 106 K HB3 . 17150 1 1204 . 1 1 106 106 LYS HG2 H 1 1.506 0.000 . 2 . . . . 106 K HG2 . 17150 1 1205 . 1 1 106 106 LYS HG3 H 1 1.418 0.000 . 2 . . . . 106 K HG3 . 17150 1 1206 . 1 1 106 106 LYS C C 13 176.567 0.000 . 1 . . . . 106 K C . 17150 1 1207 . 1 1 106 106 LYS CA C 13 57.479 0.038 . 1 . . . . 106 K CA . 17150 1 1208 . 1 1 106 106 LYS CB C 13 32.411 0.016 . 1 . . . . 106 K CB . 17150 1 1209 . 1 1 106 106 LYS CG C 13 24.082 0.015 . 1 . . . . 106 K CG . 17150 1 1210 . 1 1 106 106 LYS N N 15 120.386 0.007 . 1 . . . . 106 K N . 17150 1 1211 . 1 1 107 107 SER H H 1 8.318 0.002 . 1 . . . . 107 S H . 17150 1 1212 . 1 1 107 107 SER HA H 1 4.498 0.013 . 1 . . . . 107 S HA . 17150 1 1213 . 1 1 107 107 SER HB3 H 1 3.889 0.002 . 2 . . . . 107 S HB3 . 17150 1 1214 . 1 1 107 107 SER C C 13 174.545 0.000 . 1 . . . . 107 S C . 17150 1 1215 . 1 1 107 107 SER CA C 13 58.414 0.122 . 1 . . . . 107 S CA . 17150 1 1216 . 1 1 107 107 SER CB C 13 63.757 0.078 . 1 . . . . 107 S CB . 17150 1 1217 . 1 1 107 107 SER N N 15 116.190 0.035 . 1 . . . . 107 S N . 17150 1 1218 . 1 1 108 108 SER H H 1 8.306 0.003 . 1 . . . . 108 S H . 17150 1 1219 . 1 1 108 108 SER HA H 1 4.543 0.000 . 1 . . . . 108 S HA . 17150 1 1220 . 1 1 108 108 SER HB3 H 1 3.904 0.009 . 2 . . . . 108 S HB3 . 17150 1 1221 . 1 1 108 108 SER C C 13 173.643 0.000 . 1 . . . . 108 S C . 17150 1 1222 . 1 1 108 108 SER CA C 13 58.432 0.013 . 1 . . . . 108 S CA . 17150 1 1223 . 1 1 108 108 SER CB C 13 63.971 0.036 . 1 . . . . 108 S CB . 17150 1 1224 . 1 1 108 108 SER N N 15 118.369 0.039 . 1 . . . . 108 S N . 17150 1 1225 . 1 1 109 109 VAL H H 1 7.729 0.003 . 1 . . . . 109 V H . 17150 1 1226 . 1 1 109 109 VAL HA H 1 4.027 0.009 . 1 . . . . 109 V HA . 17150 1 1227 . 1 1 109 109 VAL HB H 1 2.084 0.010 . 1 . . . . 109 V HB . 17150 1 1228 . 1 1 109 109 VAL HG21 H 1 0.910 0.000 . 2 . . . . 109 V QG2 . 17150 1 1229 . 1 1 109 109 VAL HG22 H 1 0.910 0.000 . 2 . . . . 109 V QG2 . 17150 1 1230 . 1 1 109 109 VAL HG23 H 1 0.910 0.000 . 2 . . . . 109 V QG2 . 17150 1 1231 . 1 1 109 109 VAL CA C 13 63.729 0.214 . 1 . . . . 109 V CA . 17150 1 1232 . 1 1 109 109 VAL CB C 13 33.054 0.115 . 1 . . . . 109 V CB . 17150 1 1233 . 1 1 109 109 VAL N N 15 125.355 0.022 . 1 . . . . 109 V N . 17150 1 stop_ save_