data_19851 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19851 _Entry.Title ; NMR structure of the protein YP_001712342.1 from Acinetobacter baumannii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-14 _Entry.Accession_date 2014-03-14 _Entry.Last_release_date 2014-04-22 _Entry.Original_release_date 2014-04-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Andrew Proudfoot . . . 19851 2 Pedro Serrano . . . 19851 3 Michael Geralt . . . 19851 4 Kurt Wuthrich . . . 19851 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Joint Center for Structural Genomics' . 19851 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Unknown Function' . 19851 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19851 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 362 19851 '15N chemical shifts' 115 19851 '1H chemical shifts' 750 19851 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 . . 2014-04-22 2014-03-13 original author . 19851 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MMB 'BMRB Entry Tracking System' 19851 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19851 _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 'NMR structure of the protein YP_002937094.1 from Eubacterium rectale' _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 Andrew Proudfoot . . . 19851 1 2 Kurt Wuthrich . . . 19851 1 3 Pedro Serrano . . . 19851 1 4 Michael Geralt . . . 19851 1 5 Samit Dutta . K. . 19851 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19851 _Assembly.ID 1 _Assembly.Name 'Unknown protein YP_001712342.1 from Acinetobacter baumannii' _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 entity 1 $entity A . yes native no no . . . 19851 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19851 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GTDFGTTNNFVSPNLQLKQN VLPPTPKNIPLPAFGQRIIG WGTGAEGARQRLENIQPADV SMIKKQGTTLEMITAWQDFY EQEQQRNENNPTAKYRARLM KKIADLW ; _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12156.859 _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 2MMB . "Nmr Structure Of The Protein Yp_001712342.1 From Acinetobacter Baumannii" . . . . . 100.00 107 100.00 100.00 2.23e-71 . . . . 19851 1 2 no DBJ BAN88776 . "hypothetical protein AB237_2861 [Acinetobacter baumannii NCGM 237]" . . . . . 100.00 125 99.07 99.07 1.31e-70 . . . . 19851 1 3 no DBJ BAP67935 . "hypothetical protein IOMTU433_3177 [Acinetobacter baumannii]" . . . . . 100.00 125 98.13 98.13 5.57e-70 . . . . 19851 1 4 no EMBL CAM87951 . "conserved hypothetical protein [Acinetobacter baumannii AYE]" . . . . . 100.00 125 99.07 99.07 1.31e-70 . . . . 19851 1 5 no EMBL CAP02179 . "conserved hypothetical protein [Acinetobacter baumannii SDF]" . . . . . 100.00 125 97.20 98.13 1.04e-69 . . . . 19851 1 6 no EMBL CDG77613 . "hypothetical protein ABICBIBUN_03294 [Acinetobacter baumannii 107m]" . . . . . 100.00 125 99.07 99.07 1.31e-70 . . . . 19851 1 7 no EMBL CQR69588 . "FIG00351013: hypothetical protein [Acinetobacter baumannii]" . . . . . 100.00 125 99.07 99.07 1.31e-70 . . . . 19851 1 8 no EMBL CQR89098 . "FIG00351013: hypothetical protein [Acinetobacter baumannii]" . . . . . 100.00 125 99.07 99.07 1.31e-70 . . . . 19851 1 9 no GB ABS89932 . "hypothetical protein A1S_3507 [Acinetobacter baumannii ATCC 17978]" . . . . . 100.00 125 99.07 99.07 1.31e-70 . . . . 19851 1 10 no GB ACJ40142 . "hypothetical protein AB57_0723 [Acinetobacter baumannii AB0057]" . . . . . 100.00 125 99.07 99.07 1.31e-70 . . . . 19851 1 11 no GB ACJ58428 . "hypothetical protein ABBFA_002942 [Acinetobacter baumannii AB307-0294]" . . . . . 100.00 125 99.07 99.07 1.31e-70 . . . . 19851 1 12 no GB ADX02293 . "Putative uncharacterized protein [Acinetobacter baumannii 1656-2]" . . . . . 100.00 125 99.07 99.07 1.31e-70 . . . . 19851 1 13 no GB ADX91089 . "hypothetical protein ABTW07_0652 [Acinetobacter baumannii TCDC-AB0715]" . . . . . 100.00 125 99.07 99.07 1.31e-70 . . . . 19851 1 14 no REF WP_000266118 . "hypothetical protein [Acinetobacter baumannii]" . . . . . 100.00 125 97.20 97.20 1.81e-69 . . . . 19851 1 15 no REF WP_000266120 . "hypothetical protein [Acinetobacter baumannii]" . . . . . 100.00 125 98.13 98.13 5.57e-70 . . . . 19851 1 16 no REF WP_000266121 . "hypothetical protein [Acinetobacter baumannii]" . . . . . 100.00 125 98.13 98.13 6.78e-70 . . . . 19851 1 17 no REF WP_000266122 . "hypothetical protein [Acinetobacter baumannii]" . . . . . 100.00 125 98.13 99.07 2.25e-70 . . . . 19851 1 18 no REF WP_000266123 . "MULTISPECIES: hypothetical protein [Acinetobacter calcoaceticus/baumannii complex]" . . . . . 100.00 125 99.07 99.07 1.31e-70 . . . . 19851 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 . 19851 1 2 . THR . 19851 1 3 . ASP . 19851 1 4 . PHE . 19851 1 5 . GLY . 19851 1 6 . THR . 19851 1 7 . THR . 19851 1 8 . ASN . 19851 1 9 . ASN . 19851 1 10 . PHE . 19851 1 11 . VAL . 19851 1 12 . SER . 19851 1 13 . PRO . 19851 1 14 . ASN . 19851 1 15 . LEU . 19851 1 16 . GLN . 19851 1 17 . LEU . 19851 1 18 . LYS . 19851 1 19 . GLN . 19851 1 20 . ASN . 19851 1 21 . VAL . 19851 1 22 . LEU . 19851 1 23 . PRO . 19851 1 24 . PRO . 19851 1 25 . THR . 19851 1 26 . PRO . 19851 1 27 . LYS . 19851 1 28 . ASN . 19851 1 29 . ILE . 19851 1 30 . PRO . 19851 1 31 . LEU . 19851 1 32 . PRO . 19851 1 33 . ALA . 19851 1 34 . PHE . 19851 1 35 . GLY . 19851 1 36 . GLN . 19851 1 37 . ARG . 19851 1 38 . ILE . 19851 1 39 . ILE . 19851 1 40 . GLY . 19851 1 41 . TRP . 19851 1 42 . GLY . 19851 1 43 . THR . 19851 1 44 . GLY . 19851 1 45 . ALA . 19851 1 46 . GLU . 19851 1 47 . GLY . 19851 1 48 . ALA . 19851 1 49 . ARG . 19851 1 50 . GLN . 19851 1 51 . ARG . 19851 1 52 . LEU . 19851 1 53 . GLU . 19851 1 54 . ASN . 19851 1 55 . ILE . 19851 1 56 . GLN . 19851 1 57 . PRO . 19851 1 58 . ALA . 19851 1 59 . ASP . 19851 1 60 . VAL . 19851 1 61 . SER . 19851 1 62 . MET . 19851 1 63 . ILE . 19851 1 64 . LYS . 19851 1 65 . LYS . 19851 1 66 . GLN . 19851 1 67 . GLY . 19851 1 68 . THR . 19851 1 69 . THR . 19851 1 70 . LEU . 19851 1 71 . GLU . 19851 1 72 . MET . 19851 1 73 . ILE . 19851 1 74 . THR . 19851 1 75 . ALA . 19851 1 76 . TRP . 19851 1 77 . GLN . 19851 1 78 . ASP . 19851 1 79 . PHE . 19851 1 80 . TYR . 19851 1 81 . GLU . 19851 1 82 . GLN . 19851 1 83 . GLU . 19851 1 84 . GLN . 19851 1 85 . GLN . 19851 1 86 . ARG . 19851 1 87 . ASN . 19851 1 88 . GLU . 19851 1 89 . ASN . 19851 1 90 . ASN . 19851 1 91 . PRO . 19851 1 92 . THR . 19851 1 93 . ALA . 19851 1 94 . LYS . 19851 1 95 . TYR . 19851 1 96 . ARG . 19851 1 97 . ALA . 19851 1 98 . ARG . 19851 1 99 . LEU . 19851 1 100 . MET . 19851 1 101 . LYS . 19851 1 102 . LYS . 19851 1 103 . ILE . 19851 1 104 . ALA . 19851 1 105 . ASP . 19851 1 106 . LEU . 19851 1 107 . TRP . 19851 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 19851 1 . THR 2 2 19851 1 . ASP 3 3 19851 1 . PHE 4 4 19851 1 . GLY 5 5 19851 1 . THR 6 6 19851 1 . THR 7 7 19851 1 . ASN 8 8 19851 1 . ASN 9 9 19851 1 . PHE 10 10 19851 1 . VAL 11 11 19851 1 . SER 12 12 19851 1 . PRO 13 13 19851 1 . ASN 14 14 19851 1 . LEU 15 15 19851 1 . GLN 16 16 19851 1 . LEU 17 17 19851 1 . LYS 18 18 19851 1 . GLN 19 19 19851 1 . ASN 20 20 19851 1 . VAL 21 21 19851 1 . LEU 22 22 19851 1 . PRO 23 23 19851 1 . PRO 24 24 19851 1 . THR 25 25 19851 1 . PRO 26 26 19851 1 . LYS 27 27 19851 1 . ASN 28 28 19851 1 . ILE 29 29 19851 1 . PRO 30 30 19851 1 . LEU 31 31 19851 1 . PRO 32 32 19851 1 . ALA 33 33 19851 1 . PHE 34 34 19851 1 . GLY 35 35 19851 1 . GLN 36 36 19851 1 . ARG 37 37 19851 1 . ILE 38 38 19851 1 . ILE 39 39 19851 1 . GLY 40 40 19851 1 . TRP 41 41 19851 1 . GLY 42 42 19851 1 . THR 43 43 19851 1 . GLY 44 44 19851 1 . ALA 45 45 19851 1 . GLU 46 46 19851 1 . GLY 47 47 19851 1 . ALA 48 48 19851 1 . ARG 49 49 19851 1 . GLN 50 50 19851 1 . ARG 51 51 19851 1 . LEU 52 52 19851 1 . GLU 53 53 19851 1 . ASN 54 54 19851 1 . ILE 55 55 19851 1 . GLN 56 56 19851 1 . PRO 57 57 19851 1 . ALA 58 58 19851 1 . ASP 59 59 19851 1 . VAL 60 60 19851 1 . SER 61 61 19851 1 . MET 62 62 19851 1 . ILE 63 63 19851 1 . LYS 64 64 19851 1 . LYS 65 65 19851 1 . GLN 66 66 19851 1 . GLY 67 67 19851 1 . THR 68 68 19851 1 . THR 69 69 19851 1 . LEU 70 70 19851 1 . GLU 71 71 19851 1 . MET 72 72 19851 1 . ILE 73 73 19851 1 . THR 74 74 19851 1 . ALA 75 75 19851 1 . TRP 76 76 19851 1 . GLN 77 77 19851 1 . ASP 78 78 19851 1 . PHE 79 79 19851 1 . TYR 80 80 19851 1 . GLU 81 81 19851 1 . GLN 82 82 19851 1 . GLU 83 83 19851 1 . GLN 84 84 19851 1 . GLN 85 85 19851 1 . ARG 86 86 19851 1 . ASN 87 87 19851 1 . GLU 88 88 19851 1 . ASN 89 89 19851 1 . ASN 90 90 19851 1 . PRO 91 91 19851 1 . THR 92 92 19851 1 . ALA 93 93 19851 1 . LYS 94 94 19851 1 . TYR 95 95 19851 1 . ARG 96 96 19851 1 . ALA 97 97 19851 1 . ARG 98 98 19851 1 . LEU 99 99 19851 1 . MET 100 100 19851 1 . LYS 101 101 19851 1 . LYS 102 102 19851 1 . ILE 103 103 19851 1 . ALA 104 104 19851 1 . ASP 105 105 19851 1 . LEU 106 106 19851 1 . TRP 107 107 19851 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 19851 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 470 organism . 'Acinetobacter baumannii' 'Acinetobacter baumannii' . . Bacteria . Acinetobacter baumannii . . . . . . . . . . . . . . . . . . . . . 19851 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 19851 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . Pspeedet . . . . . . 19851 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19851 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 19851 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19851 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19851 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 19851 1 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 19851 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.220 . M 19851 1 pH 6.0 . pH 19851 1 pressure 1 . atm 19851 1 temperature 298 . K 19851 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19851 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19851 1 'Guntert P.' . . 19851 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19851 1 collection 19851 1 processing 19851 1 refinement 19851 1 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 19851 _Software.ID 2 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Wuthrich' . . 19851 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19851 2 'structure solution' 19851 2 stop_ save_ save_Opalp _Software.Sf_category software _Software.Sf_framecode Opalp _Software.Entry_ID 19851 _Software.ID 3 _Software.Name Opalp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 19851 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19851 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19851 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19851 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19851 4 refinement 19851 4 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19851 _Software.ID 5 _Software.Name NMRDraw _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' . . 19851 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19851 5 stop_ save_ save_MDDNMR _Software.Sf_category software _Software.Sf_framecode MDDNMR _Software.Entry_ID 19851 _Software.ID 6 _Software.Name MDDNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Maxim Mayzel, Vladislav Orekhov' . . 19851 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19851 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Avance601 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Avance601 _NMR_spectrometer.Entry_ID 19851 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Avance800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Avance800 _NMR_spectrometer.Entry_ID 19851 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19851 _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 Avance601 Bruker Avance . 600 . . . 19851 1 2 Avance800 Bruker Avance . 800 . . . 19851 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 19851 _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 . . . . . . . . . . . . . . . . . . . . . 19851 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19851 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19851 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19851 1 5 'APSY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19851 1 6 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19851 1 7 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19851 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 19851 _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 . . . . . . . . . 19851 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19851 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19851 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 19851 _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' . . . 19851 1 2 '3D 1H-13C NOESY aliphatic' . . . 19851 1 3 '3D 1H-13C NOESY aromatic' . . . 19851 1 4 '3D 1H-15N NOESY' . . . 19851 1 5 'APSY 4D-HACANH' . . . 19851 1 6 'APSY 5D-CBCACONH' . . . 19851 1 7 'APSY 5D-HACACONH' . . . 19851 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 3 3 ASP H H 1 8.326 0.023 . 1 . . . A 3 ASP H . 19851 1 2 . 1 1 3 3 ASP HA H 1 4.499 0.023 . 1 . . . A 3 ASP HA . 19851 1 3 . 1 1 3 3 ASP HB2 H 1 2.455 0.023 . 2 . . . A 3 ASP QB . 19851 1 4 . 1 1 3 3 ASP HB3 H 1 2.455 0.023 . 2 . . . A 3 ASP QB . 19851 1 5 . 1 1 3 3 ASP CA C 13 51.355 0.148 . 1 . . . A 3 ASP CA . 19851 1 6 . 1 1 3 3 ASP CB C 13 38.736 0.148 . 1 . . . A 3 ASP CB . 19851 1 7 . 1 1 3 3 ASP N N 15 122.895 0.117 . 1 . . . A 3 ASP N . 19851 1 8 . 1 1 4 4 PHE H H 1 8.265 0.023 . 1 . . . A 4 PHE H . 19851 1 9 . 1 1 4 4 PHE HA H 1 4.503 0.023 . 1 . . . A 4 PHE HA . 19851 1 10 . 1 1 4 4 PHE HB2 H 1 3.118 0.023 . 2 . . . A 4 PHE HB2 . 19851 1 11 . 1 1 4 4 PHE HB3 H 1 2.935 0.023 . 2 . . . A 4 PHE HB3 . 19851 1 12 . 1 1 4 4 PHE HD1 H 1 7.249 0.023 . 3 . . . A 4 PHE QD . 19851 1 13 . 1 1 4 4 PHE HD2 H 1 7.249 0.023 . 3 . . . A 4 PHE QD . 19851 1 14 . 1 1 4 4 PHE CA C 13 55.469 0.148 . 1 . . . A 4 PHE CA . 19851 1 15 . 1 1 4 4 PHE CB C 13 36.655 0.148 . 1 . . . A 4 PHE CB . 19851 1 16 . 1 1 4 4 PHE CD1 C 13 128.911 0.148 . 1 . . . A 4 PHE CD1 . 19851 1 17 . 1 1 4 4 PHE CD2 C 13 128.911 0.148 . 1 . . . A 4 PHE CD2 . 19851 1 18 . 1 1 4 4 PHE N N 15 121.355 0.117 . 1 . . . A 4 PHE N . 19851 1 19 . 1 1 5 5 GLY H H 1 8.349 0.023 . 1 . . . A 5 GLY H . 19851 1 20 . 1 1 5 5 GLY HA2 H 1 3.847 0.023 . 2 . . . A 5 GLY HA2 . 19851 1 21 . 1 1 5 5 GLY HA3 H 1 3.885 0.023 . 2 . . . A 5 GLY HA3 . 19851 1 22 . 1 1 5 5 GLY CA C 13 42.896 0.148 . 1 . . . A 5 GLY CA . 19851 1 23 . 1 1 5 5 GLY N N 15 110.191 0.117 . 1 . . . A 5 GLY N . 19851 1 24 . 1 1 6 6 THR H H 1 7.968 0.023 . 1 . . . A 6 THR H . 19851 1 25 . 1 1 6 6 THR HA H 1 4.265 0.023 . 1 . . . A 6 THR HA . 19851 1 26 . 1 1 6 6 THR HB H 1 4.182 0.023 . 1 . . . A 6 THR HB . 19851 1 27 . 1 1 6 6 THR HG21 H 1 1.113 0.023 . 1 . . . A 6 THR QG2 . 19851 1 28 . 1 1 6 6 THR HG22 H 1 1.113 0.023 . 1 . . . A 6 THR QG2 . 19851 1 29 . 1 1 6 6 THR HG23 H 1 1.113 0.023 . 1 . . . A 6 THR QG2 . 19851 1 30 . 1 1 6 6 THR CA C 13 59.242 0.148 . 1 . . . A 6 THR CA . 19851 1 31 . 1 1 6 6 THR CB C 13 67.162 0.148 . 1 . . . A 6 THR CB . 19851 1 32 . 1 1 6 6 THR CG2 C 13 19.205 0.148 . 1 . . . A 6 THR CG2 . 19851 1 33 . 1 1 6 6 THR N N 15 113.126 0.117 . 1 . . . A 6 THR N . 19851 1 34 . 1 1 7 7 THR H H 1 8.106 0.023 . 1 . . . A 7 THR H . 19851 1 35 . 1 1 7 7 THR HA H 1 4.345 0.023 . 1 . . . A 7 THR HA . 19851 1 36 . 1 1 7 7 THR HB H 1 4.188 0.023 . 1 . . . A 7 THR HB . 19851 1 37 . 1 1 7 7 THR HG21 H 1 1.113 0.023 . 1 . . . A 7 THR QG2 . 19851 1 38 . 1 1 7 7 THR HG22 H 1 1.113 0.023 . 1 . . . A 7 THR QG2 . 19851 1 39 . 1 1 7 7 THR HG23 H 1 1.113 0.023 . 1 . . . A 7 THR QG2 . 19851 1 40 . 1 1 7 7 THR CA C 13 59.138 0.148 . 1 . . . A 7 THR CA . 19851 1 41 . 1 1 7 7 THR CB C 13 67.101 0.148 . 1 . . . A 7 THR CB . 19851 1 42 . 1 1 7 7 THR CG2 C 13 18.947 0.148 . 1 . . . A 7 THR CG2 . 19851 1 43 . 1 1 7 7 THR N N 15 115.781 0.117 . 1 . . . A 7 THR N . 19851 1 44 . 1 1 8 8 ASN H H 1 8.349 0.023 . 1 . . . A 8 ASN H . 19851 1 45 . 1 1 8 8 ASN HA H 1 4.565 0.023 . 1 . . . A 8 ASN HA . 19851 1 46 . 1 1 8 8 ASN HB2 H 1 2.653 0.023 . 2 . . . A 8 ASN HB2 . 19851 1 47 . 1 1 8 8 ASN CA C 13 50.496 0.148 . 1 . . . A 8 ASN CA . 19851 1 48 . 1 1 8 8 ASN CB C 13 36.561 0.148 . 1 . . . A 8 ASN CB . 19851 1 49 . 1 1 8 8 ASN N N 15 120.804 0.117 . 1 . . . A 8 ASN N . 19851 1 50 . 1 1 9 9 ASN H H 1 8.233 0.023 . 1 . . . A 9 ASN H . 19851 1 51 . 1 1 9 9 ASN HA H 1 4.556 0.023 . 1 . . . A 9 ASN HA . 19851 1 52 . 1 1 9 9 ASN HB2 H 1 2.552 0.023 . 2 . . . A 9 ASN HB2 . 19851 1 53 . 1 1 9 9 ASN HB3 H 1 2.626 0.023 . 2 . . . A 9 ASN HB3 . 19851 1 54 . 1 1 9 9 ASN CA C 13 50.507 0.148 . 1 . . . A 9 ASN CA . 19851 1 55 . 1 1 9 9 ASN CB C 13 36.281 0.148 . 1 . . . A 9 ASN CB . 19851 1 56 . 1 1 9 9 ASN N N 15 119.053 0.117 . 1 . . . A 9 ASN N . 19851 1 57 . 1 1 10 10 PHE H H 1 8.068 0.023 . 1 . . . A 10 PHE H . 19851 1 58 . 1 1 10 10 PHE HA H 1 4.507 0.023 . 1 . . . A 10 PHE HA . 19851 1 59 . 1 1 10 10 PHE HB2 H 1 2.945 0.023 . 2 . . . A 10 PHE HB2 . 19851 1 60 . 1 1 10 10 PHE HB3 H 1 3.004 0.023 . 2 . . . A 10 PHE HB3 . 19851 1 61 . 1 1 10 10 PHE HD1 H 1 7.129 0.023 . 3 . . . A 10 PHE QD . 19851 1 62 . 1 1 10 10 PHE HD2 H 1 7.129 0.023 . 3 . . . A 10 PHE QD . 19851 1 63 . 1 1 10 10 PHE CA C 13 55.142 0.148 . 1 . . . A 10 PHE CA . 19851 1 64 . 1 1 10 10 PHE CB C 13 36.800 0.148 . 1 . . . A 10 PHE CB . 19851 1 65 . 1 1 10 10 PHE CD2 C 13 129.037 0.148 . 3 . . . A 10 PHE CD2 . 19851 1 66 . 1 1 10 10 PHE N N 15 120.473 0.117 . 1 . . . A 10 PHE N . 19851 1 67 . 1 1 11 11 VAL H H 1 7.869 0.023 . 1 . . . A 11 VAL H . 19851 1 68 . 1 1 11 11 VAL HA H 1 3.972 0.023 . 1 . . . A 11 VAL HA . 19851 1 69 . 1 1 11 11 VAL HB H 1 1.856 0.023 . 1 . . . A 11 VAL HB . 19851 1 70 . 1 1 11 11 VAL HG11 H 1 0.790 0.023 . 1 . . . A 11 VAL QG1 . 19851 1 71 . 1 1 11 11 VAL HG12 H 1 0.790 0.023 . 1 . . . A 11 VAL QG1 . 19851 1 72 . 1 1 11 11 VAL HG13 H 1 0.790 0.023 . 1 . . . A 11 VAL QG1 . 19851 1 73 . 1 1 11 11 VAL HG21 H 1 0.778 0.023 . 1 . . . A 11 VAL QG2 . 19851 1 74 . 1 1 11 11 VAL HG22 H 1 0.778 0.023 . 1 . . . A 11 VAL QG2 . 19851 1 75 . 1 1 11 11 VAL HG23 H 1 0.778 0.023 . 1 . . . A 11 VAL QG2 . 19851 1 76 . 1 1 11 11 VAL CA C 13 59.148 0.148 . 1 . . . A 11 VAL CA . 19851 1 77 . 1 1 11 11 VAL CB C 13 30.496 0.148 . 1 . . . A 11 VAL CB . 19851 1 78 . 1 1 11 11 VAL CG1 C 13 18.029 0.148 . 2 . . . A 11 VAL CG1 . 19851 1 79 . 1 1 11 11 VAL CG2 C 13 18.525 0.148 . 2 . . . A 11 VAL CG2 . 19851 1 80 . 1 1 11 11 VAL N N 15 122.806 0.117 . 1 . . . A 11 VAL N . 19851 1 81 . 1 1 12 12 SER H H 1 8.250 0.023 . 1 . . . A 12 SER H . 19851 1 82 . 1 1 12 12 SER HA H 1 4.557 0.023 . 1 . . . A 12 SER HA . 19851 1 83 . 1 1 12 12 SER HB2 H 1 3.775 0.023 . 2 . . . A 12 SER QB . 19851 1 84 . 1 1 12 12 SER HB3 H 1 3.775 0.023 . 2 . . . A 12 SER QB . 19851 1 85 . 1 1 12 12 SER CA C 13 53.586 0.148 . 1 . . . A 12 SER CA . 19851 1 86 . 1 1 12 12 SER CB C 13 60.789 0.148 . 1 . . . A 12 SER CB . 19851 1 87 . 1 1 12 12 SER N N 15 120.860 0.117 . 1 . . . A 12 SER N . 19851 1 88 . 1 1 13 13 PRO HA H 1 4.319 0.023 . 1 . . . A 13 PRO HA . 19851 1 89 . 1 1 13 13 PRO HB2 H 1 2.199 0.023 . 2 . . . A 13 PRO HB2 . 19851 1 90 . 1 1 13 13 PRO HB3 H 1 1.826 0.023 . 2 . . . A 13 PRO HB3 . 19851 1 91 . 1 1 13 13 PRO HG2 H 1 1.940 0.023 . 2 . . . A 13 PRO QG . 19851 1 92 . 1 1 13 13 PRO HG3 H 1 1.940 0.023 . 2 . . . A 13 PRO QG . 19851 1 93 . 1 1 13 13 PRO HD2 H 1 3.708 0.023 . 2 . . . A 13 PRO HD2 . 19851 1 94 . 1 1 13 13 PRO HD3 H 1 3.745 0.023 . 2 . . . A 13 PRO HD3 . 19851 1 95 . 1 1 13 13 PRO CA C 13 60.905 0.148 . 1 . . . A 13 PRO CA . 19851 1 96 . 1 1 13 13 PRO CB C 13 29.546 0.148 . 1 . . . A 13 PRO CB . 19851 1 97 . 1 1 13 13 PRO CG C 13 24.685 0.148 . 1 . . . A 13 PRO CG . 19851 1 98 . 1 1 13 13 PRO CD C 13 48.164 0.148 . 1 . . . A 13 PRO CD . 19851 1 99 . 1 1 14 14 ASN H H 1 8.284 0.023 . 1 . . . A 14 ASN H . 19851 1 100 . 1 1 14 14 ASN HA H 1 4.554 0.023 . 1 . . . A 14 ASN HA . 19851 1 101 . 1 1 14 14 ASN HB2 H 1 2.640 0.023 . 2 . . . A 14 ASN HB2 . 19851 1 102 . 1 1 14 14 ASN HB3 H 1 2.753 0.023 . 2 . . . A 14 ASN HB3 . 19851 1 103 . 1 1 14 14 ASN CA C 13 50.722 0.148 . 1 . . . A 14 ASN CA . 19851 1 104 . 1 1 14 14 ASN CB C 13 35.961 0.148 . 1 . . . A 14 ASN CB . 19851 1 105 . 1 1 14 14 ASN N N 15 117.629 0.117 . 1 . . . A 14 ASN N . 19851 1 106 . 1 1 15 15 LEU H H 1 8.041 0.023 . 1 . . . A 15 LEU H . 19851 1 107 . 1 1 15 15 LEU HA H 1 4.209 0.023 . 1 . . . A 15 LEU HA . 19851 1 108 . 1 1 15 15 LEU HB2 H 1 1.505 0.023 . 2 . . . A 15 LEU QB . 19851 1 109 . 1 1 15 15 LEU HB3 H 1 1.505 0.023 . 2 . . . A 15 LEU QB . 19851 1 110 . 1 1 15 15 LEU HG H 1 1.504 0.023 . 1 . . . A 15 LEU HG . 19851 1 111 . 1 1 15 15 LEU HD11 H 1 0.769 0.023 . 1 . . . A 15 LEU QQD . 19851 1 112 . 1 1 15 15 LEU HD12 H 1 0.769 0.023 . 1 . . . A 15 LEU QQD . 19851 1 113 . 1 1 15 15 LEU HD13 H 1 0.769 0.023 . 1 . . . A 15 LEU QQD . 19851 1 114 . 1 1 15 15 LEU HD21 H 1 0.769 0.023 . 1 . . . A 15 LEU QQD . 19851 1 115 . 1 1 15 15 LEU HD22 H 1 0.769 0.023 . 1 . . . A 15 LEU QQD . 19851 1 116 . 1 1 15 15 LEU HD23 H 1 0.769 0.023 . 1 . . . A 15 LEU QQD . 19851 1 117 . 1 1 15 15 LEU CA C 13 52.663 0.148 . 1 . . . A 15 LEU CA . 19851 1 118 . 1 1 15 15 LEU CB C 13 39.600 0.148 . 1 . . . A 15 LEU CB . 19851 1 119 . 1 1 15 15 LEU CG C 13 24.423 0.148 . 1 . . . A 15 LEU CG . 19851 1 120 . 1 1 15 15 LEU CD1 C 13 20.849 0.148 . 2 . . . A 15 LEU CD1 . 19851 1 121 . 1 1 15 15 LEU CD2 C 13 20.886 0.148 . 2 . . . A 15 LEU CD2 . 19851 1 122 . 1 1 15 15 LEU N N 15 122.501 0.117 . 1 . . . A 15 LEU N . 19851 1 123 . 1 1 16 16 GLN H H 1 8.146 0.023 . 1 . . . A 16 GLN H . 19851 1 124 . 1 1 16 16 GLN HA H 1 4.183 0.023 . 1 . . . A 16 GLN HA . 19851 1 125 . 1 1 16 16 GLN HB2 H 1 1.890 0.023 . 2 . . . A 16 GLN HB2 . 19851 1 126 . 1 1 16 16 GLN HB3 H 1 1.995 0.023 . 2 . . . A 16 GLN HB3 . 19851 1 127 . 1 1 16 16 GLN CA C 13 53.244 0.148 . 1 . . . A 16 GLN CA . 19851 1 128 . 1 1 16 16 GLN CB C 13 26.527 0.148 . 1 . . . A 16 GLN CB . 19851 1 129 . 1 1 16 16 GLN N N 15 120.254 0.117 . 1 . . . A 16 GLN N . 19851 1 130 . 1 1 17 17 LEU H H 1 7.976 0.023 . 1 . . . A 17 LEU H . 19851 1 131 . 1 1 17 17 LEU HA H 1 4.217 0.023 . 1 . . . A 17 LEU HA . 19851 1 132 . 1 1 17 17 LEU HB2 H 1 1.547 0.023 . 2 . . . A 17 LEU HB2 . 19851 1 133 . 1 1 17 17 LEU HB3 H 1 1.471 0.023 . 2 . . . A 17 LEU HB3 . 19851 1 134 . 1 1 17 17 LEU HD21 H 1 0.832 0.023 . 1 . . . A 17 LEU QD2 . 19851 1 135 . 1 1 17 17 LEU HD22 H 1 0.832 0.023 . 1 . . . A 17 LEU QD2 . 19851 1 136 . 1 1 17 17 LEU HD23 H 1 0.832 0.023 . 1 . . . A 17 LEU QD2 . 19851 1 137 . 1 1 17 17 LEU CA C 13 52.481 0.148 . 1 . . . A 17 LEU CA . 19851 1 138 . 1 1 17 17 LEU CB C 13 39.694 0.148 . 1 . . . A 17 LEU CB . 19851 1 139 . 1 1 17 17 LEU CD2 C 13 22.462 0.148 . 2 . . . A 17 LEU CD2 . 19851 1 140 . 1 1 17 17 LEU N N 15 122.662 0.117 . 1 . . . A 17 LEU N . 19851 1 141 . 1 1 18 18 LYS H H 1 8.169 0.023 . 1 . . . A 18 LYS H . 19851 1 142 . 1 1 18 18 LYS HA H 1 4.187 0.023 . 1 . . . A 18 LYS HA . 19851 1 143 . 1 1 18 18 LYS HB2 H 1 1.717 0.023 . 2 . . . A 18 LYS HB2 . 19851 1 144 . 1 1 18 18 LYS HB3 H 1 1.652 0.023 . 2 . . . A 18 LYS HB3 . 19851 1 145 . 1 1 18 18 LYS HG2 H 1 1.344 0.023 . 2 . . . A 18 LYS HG2 . 19851 1 146 . 1 1 18 18 LYS HG3 H 1 1.295 0.023 . 2 . . . A 18 LYS HG3 . 19851 1 147 . 1 1 18 18 LYS CA C 13 53.535 0.148 . 1 . . . A 18 LYS CA . 19851 1 148 . 1 1 18 18 LYS CB C 13 30.348 0.148 . 1 . . . A 18 LYS CB . 19851 1 149 . 1 1 18 18 LYS CG C 13 22.198 0.148 . 1 . . . A 18 LYS CG . 19851 1 150 . 1 1 18 18 LYS N N 15 121.948 0.117 . 1 . . . A 18 LYS N . 19851 1 151 . 1 1 19 19 GLN H H 1 8.272 0.023 . 1 . . . A 19 GLN H . 19851 1 152 . 1 1 19 19 GLN HA H 1 4.203 0.023 . 1 . . . A 19 GLN HA . 19851 1 153 . 1 1 19 19 GLN HB2 H 1 1.866 0.023 . 2 . . . A 19 GLN HB2 . 19851 1 154 . 1 1 19 19 GLN HB3 H 1 1.970 0.023 . 2 . . . A 19 GLN HB3 . 19851 1 155 . 1 1 19 19 GLN HG2 H 1 2.248 0.023 . 2 . . . A 19 GLN QG . 19851 1 156 . 1 1 19 19 GLN HG3 H 1 2.248 0.023 . 2 . . . A 19 GLN QG . 19851 1 157 . 1 1 19 19 GLN HE21 H 1 6.760 0.023 . 2 . . . A 19 GLN HE21 . 19851 1 158 . 1 1 19 19 GLN HE22 H 1 7.447 0.023 . 2 . . . A 19 GLN HE22 . 19851 1 159 . 1 1 19 19 GLN CA C 13 53.093 0.148 . 1 . . . A 19 GLN CA . 19851 1 160 . 1 1 19 19 GLN CB C 13 27.149 0.148 . 1 . . . A 19 GLN CB . 19851 1 161 . 1 1 19 19 GLN CG C 13 31.241 0.148 . 1 . . . A 19 GLN CG . 19851 1 162 . 1 1 19 19 GLN N N 15 121.169 0.117 . 1 . . . A 19 GLN N . 19851 1 163 . 1 1 19 19 GLN NE2 N 15 112.354 0.117 . 1 . . . A 19 GLN NE2 . 19851 1 164 . 1 1 20 20 ASN H H 1 8.444 0.023 . 1 . . . A 20 ASN H . 19851 1 165 . 1 1 20 20 ASN HA H 1 4.608 0.023 . 1 . . . A 20 ASN HA . 19851 1 166 . 1 1 20 20 ASN HB2 H 1 2.719 0.023 . 2 . . . A 20 ASN HB2 . 19851 1 167 . 1 1 20 20 ASN HB3 H 1 2.625 0.023 . 2 . . . A 20 ASN HB3 . 19851 1 168 . 1 1 20 20 ASN HD21 H 1 7.533 0.023 . 2 . . . A 20 ASN HD21 . 19851 1 169 . 1 1 20 20 ASN HD22 H 1 6.752 0.023 . 2 . . . A 20 ASN HD22 . 19851 1 170 . 1 1 20 20 ASN CA C 13 50.577 0.148 . 1 . . . A 20 ASN CA . 19851 1 171 . 1 1 20 20 ASN CB C 13 36.198 0.148 . 1 . . . A 20 ASN CB . 19851 1 172 . 1 1 20 20 ASN N N 15 120.273 0.117 . 1 . . . A 20 ASN N . 19851 1 173 . 1 1 20 20 ASN ND2 N 15 112.640 0.117 . 1 . . . A 20 ASN ND2 . 19851 1 174 . 1 1 21 21 VAL H H 1 7.904 0.023 . 1 . . . A 21 VAL H . 19851 1 175 . 1 1 21 21 VAL HA H 1 3.973 0.023 . 1 . . . A 21 VAL HA . 19851 1 176 . 1 1 21 21 VAL HB H 1 1.916 0.023 . 1 . . . A 21 VAL HB . 19851 1 177 . 1 1 21 21 VAL HG11 H 1 0.759 0.023 . 1 . . . A 21 VAL QG1 . 19851 1 178 . 1 1 21 21 VAL HG12 H 1 0.759 0.023 . 1 . . . A 21 VAL QG1 . 19851 1 179 . 1 1 21 21 VAL HG13 H 1 0.759 0.023 . 1 . . . A 21 VAL QG1 . 19851 1 180 . 1 1 21 21 VAL HG21 H 1 0.769 0.023 . 1 . . . A 21 VAL QG2 . 19851 1 181 . 1 1 21 21 VAL HG22 H 1 0.769 0.023 . 1 . . . A 21 VAL QG2 . 19851 1 182 . 1 1 21 21 VAL HG23 H 1 0.769 0.023 . 1 . . . A 21 VAL QG2 . 19851 1 183 . 1 1 21 21 VAL CA C 13 59.283 0.148 . 1 . . . A 21 VAL CA . 19851 1 184 . 1 1 21 21 VAL CB C 13 30.205 0.148 . 1 . . . A 21 VAL CB . 19851 1 185 . 1 1 21 21 VAL CG1 C 13 18.628 0.148 . 2 . . . A 21 VAL CG1 . 19851 1 186 . 1 1 21 21 VAL CG2 C 13 17.863 0.148 . 2 . . . A 21 VAL CG2 . 19851 1 187 . 1 1 21 21 VAL N N 15 120.158 0.117 . 1 . . . A 21 VAL N . 19851 1 188 . 1 1 22 22 LEU H H 1 7.995 0.023 . 1 . . . A 22 LEU H . 19851 1 189 . 1 1 22 22 LEU HA H 1 4.015 0.023 . 1 . . . A 22 LEU HA . 19851 1 190 . 1 1 22 22 LEU HB2 H 1 1.404 0.023 . 2 . . . A 22 LEU HB2 . 19851 1 191 . 1 1 22 22 LEU HB3 H 1 1.196 0.023 . 2 . . . A 22 LEU HB3 . 19851 1 192 . 1 1 22 22 LEU HG H 1 1.501 0.023 . 1 . . . A 22 LEU HG . 19851 1 193 . 1 1 22 22 LEU HD11 H 1 0.890 0.023 . 1 . . . A 22 LEU QD1 . 19851 1 194 . 1 1 22 22 LEU HD12 H 1 0.890 0.023 . 1 . . . A 22 LEU QD1 . 19851 1 195 . 1 1 22 22 LEU HD13 H 1 0.890 0.023 . 1 . . . A 22 LEU QD1 . 19851 1 196 . 1 1 22 22 LEU HD21 H 1 0.689 0.023 . 1 . . . A 22 LEU QD2 . 19851 1 197 . 1 1 22 22 LEU HD22 H 1 0.689 0.023 . 1 . . . A 22 LEU QD2 . 19851 1 198 . 1 1 22 22 LEU HD23 H 1 0.689 0.023 . 1 . . . A 22 LEU QD2 . 19851 1 199 . 1 1 22 22 LEU CA C 13 50.011 0.148 . 1 . . . A 22 LEU CA . 19851 1 200 . 1 1 22 22 LEU CB C 13 39.095 0.148 . 1 . . . A 22 LEU CB . 19851 1 201 . 1 1 22 22 LEU CG C 13 24.640 0.148 . 1 . . . A 22 LEU CG . 19851 1 202 . 1 1 22 22 LEU CD1 C 13 23.212 0.148 . 2 . . . A 22 LEU CD1 . 19851 1 203 . 1 1 22 22 LEU CD2 C 13 21.219 0.148 . 2 . . . A 22 LEU CD2 . 19851 1 204 . 1 1 22 22 LEU N N 15 126.721 0.117 . 1 . . . A 22 LEU N . 19851 1 205 . 1 1 23 23 PRO HA H 1 4.109 0.023 . 1 . . . A 23 PRO HA . 19851 1 206 . 1 1 23 23 PRO HB2 H 1 -0.185 0.023 . 2 . . . A 23 PRO HB2 . 19851 1 207 . 1 1 23 23 PRO HB3 H 1 1.378 0.023 . 2 . . . A 23 PRO HB3 . 19851 1 208 . 1 1 23 23 PRO HG2 H 1 -0.112 0.023 . 2 . . . A 23 PRO HG2 . 19851 1 209 . 1 1 23 23 PRO HG3 H 1 0.853 0.023 . 2 . . . A 23 PRO HG3 . 19851 1 210 . 1 1 23 23 PRO HD2 H 1 2.555 0.023 . 2 . . . A 23 PRO HD2 . 19851 1 211 . 1 1 23 23 PRO HD3 H 1 1.268 0.023 . 2 . . . A 23 PRO HD3 . 19851 1 212 . 1 1 23 23 PRO CA C 13 58.095 0.148 . 1 . . . A 23 PRO CA . 19851 1 213 . 1 1 23 23 PRO CB C 13 25.815 0.148 . 1 . . . A 23 PRO CB . 19851 1 214 . 1 1 23 23 PRO CG C 13 24.857 0.148 . 1 . . . A 23 PRO CG . 19851 1 215 . 1 1 23 23 PRO CD C 13 46.676 0.148 . 1 . . . A 23 PRO CD . 19851 1 216 . 1 1 24 24 PRO HA H 1 4.408 0.023 . 1 . . . A 24 PRO HA . 19851 1 217 . 1 1 24 24 PRO HB2 H 1 2.222 0.023 . 2 . . . A 24 PRO QB . 19851 1 218 . 1 1 24 24 PRO HB3 H 1 2.222 0.023 . 2 . . . A 24 PRO QB . 19851 1 219 . 1 1 24 24 PRO HG2 H 1 1.836 0.023 . 2 . . . A 24 PRO HG2 . 19851 1 220 . 1 1 24 24 PRO HG3 H 1 1.728 0.023 . 2 . . . A 24 PRO HG3 . 19851 1 221 . 1 1 24 24 PRO HD2 H 1 3.477 0.023 . 2 . . . A 24 PRO HD2 . 19851 1 222 . 1 1 24 24 PRO HD3 H 1 3.086 0.023 . 2 . . . A 24 PRO HD3 . 19851 1 223 . 1 1 24 24 PRO CA C 13 59.735 0.148 . 1 . . . A 24 PRO CA . 19851 1 224 . 1 1 24 24 PRO CB C 13 30.229 0.148 . 1 . . . A 24 PRO CB . 19851 1 225 . 1 1 24 24 PRO CG C 13 24.800 0.148 . 1 . . . A 24 PRO CG . 19851 1 226 . 1 1 24 24 PRO CD C 13 47.271 0.148 . 1 . . . A 24 PRO CD . 19851 1 227 . 1 1 25 25 THR H H 1 7.769 0.023 . 1 . . . A 25 THR H . 19851 1 228 . 1 1 25 25 THR HA H 1 4.376 0.023 . 1 . . . A 25 THR HA . 19851 1 229 . 1 1 25 25 THR HB H 1 3.693 0.023 . 1 . . . A 25 THR HB . 19851 1 230 . 1 1 25 25 THR HG21 H 1 0.739 0.023 . 1 . . . A 25 THR QG2 . 19851 1 231 . 1 1 25 25 THR HG22 H 1 0.739 0.023 . 1 . . . A 25 THR QG2 . 19851 1 232 . 1 1 25 25 THR HG23 H 1 0.739 0.023 . 1 . . . A 25 THR QG2 . 19851 1 233 . 1 1 25 25 THR CA C 13 54.848 0.148 . 1 . . . A 25 THR CA . 19851 1 234 . 1 1 25 25 THR CB C 13 65.639 0.148 . 1 . . . A 25 THR CB . 19851 1 235 . 1 1 25 25 THR CG2 C 13 20.184 0.148 . 1 . . . A 25 THR CG2 . 19851 1 236 . 1 1 25 25 THR N N 15 107.451 0.117 . 1 . . . A 25 THR N . 19851 1 237 . 1 1 26 26 PRO HA H 1 4.200 0.023 . 1 . . . A 26 PRO HA . 19851 1 238 . 1 1 26 26 PRO HB2 H 1 2.118 0.023 . 2 . . . A 26 PRO HB2 . 19851 1 239 . 1 1 26 26 PRO HB3 H 1 1.844 0.023 . 2 . . . A 26 PRO HB3 . 19851 1 240 . 1 1 26 26 PRO HG2 H 1 2.022 0.023 . 2 . . . A 26 PRO HG2 . 19851 1 241 . 1 1 26 26 PRO HG3 H 1 1.858 0.023 . 2 . . . A 26 PRO HG3 . 19851 1 242 . 1 1 26 26 PRO HD2 H 1 3.379 0.023 . 2 . . . A 26 PRO HD2 . 19851 1 243 . 1 1 26 26 PRO HD3 H 1 3.064 0.023 . 2 . . . A 26 PRO HD3 . 19851 1 244 . 1 1 26 26 PRO CA C 13 60.850 0.148 . 1 . . . A 26 PRO CA . 19851 1 245 . 1 1 26 26 PRO CB C 13 28.721 0.148 . 1 . . . A 26 PRO CB . 19851 1 246 . 1 1 26 26 PRO CG C 13 26.038 0.148 . 1 . . . A 26 PRO CG . 19851 1 247 . 1 1 26 26 PRO CD C 13 48.757 0.148 . 1 . . . A 26 PRO CD . 19851 1 248 . 1 1 27 27 LYS H H 1 9.020 0.023 . 1 . . . A 27 LYS H . 19851 1 249 . 1 1 27 27 LYS HA H 1 3.793 0.023 . 1 . . . A 27 LYS HA . 19851 1 250 . 1 1 27 27 LYS HB2 H 1 1.816 0.023 . 2 . . . A 27 LYS HB2 . 19851 1 251 . 1 1 27 27 LYS HB3 H 1 1.864 0.023 . 2 . . . A 27 LYS HB3 . 19851 1 252 . 1 1 27 27 LYS HG2 H 1 1.355 0.023 . 2 . . . A 27 LYS HG2 . 19851 1 253 . 1 1 27 27 LYS HG3 H 1 1.308 0.023 . 2 . . . A 27 LYS HG3 . 19851 1 254 . 1 1 27 27 LYS HD2 H 1 1.612 0.023 . 2 . . . A 27 LYS QD . 19851 1 255 . 1 1 27 27 LYS HD3 H 1 1.612 0.023 . 2 . . . A 27 LYS QD . 19851 1 256 . 1 1 27 27 LYS HE2 H 1 2.918 0.023 . 2 . . . A 27 LYS QE . 19851 1 257 . 1 1 27 27 LYS HE3 H 1 2.918 0.023 . 2 . . . A 27 LYS QE . 19851 1 258 . 1 1 27 27 LYS CA C 13 54.826 0.148 . 1 . . . A 27 LYS CA . 19851 1 259 . 1 1 27 27 LYS CB C 13 27.915 0.148 . 1 . . . A 27 LYS CB . 19851 1 260 . 1 1 27 27 LYS CG C 13 22.766 0.148 . 1 . . . A 27 LYS CG . 19851 1 261 . 1 1 27 27 LYS CD C 13 26.633 0.148 . 1 . . . A 27 LYS CD . 19851 1 262 . 1 1 27 27 LYS CE C 13 39.698 0.148 . 1 . . . A 27 LYS CE . 19851 1 263 . 1 1 27 27 LYS N N 15 120.618 0.117 . 1 . . . A 27 LYS N . 19851 1 264 . 1 1 28 28 ASN H H 1 8.160 0.023 . 1 . . . A 28 ASN H . 19851 1 265 . 1 1 28 28 ASN HA H 1 4.217 0.023 . 1 . . . A 28 ASN HA . 19851 1 266 . 1 1 28 28 ASN HB2 H 1 2.935 0.023 . 2 . . . A 28 ASN HB2 . 19851 1 267 . 1 1 28 28 ASN HB3 H 1 2.735 0.023 . 2 . . . A 28 ASN HB3 . 19851 1 268 . 1 1 28 28 ASN HD21 H 1 7.505 0.023 . 2 . . . A 28 ASN HD21 . 19851 1 269 . 1 1 28 28 ASN HD22 H 1 6.821 0.023 . 2 . . . A 28 ASN HD22 . 19851 1 270 . 1 1 28 28 ASN CA C 13 51.505 0.148 . 1 . . . A 28 ASN CA . 19851 1 271 . 1 1 28 28 ASN CB C 13 34.951 0.148 . 1 . . . A 28 ASN CB . 19851 1 272 . 1 1 28 28 ASN N N 15 112.892 0.117 . 1 . . . A 28 ASN N . 19851 1 273 . 1 1 28 28 ASN ND2 N 15 113.233 0.117 . 1 . . . A 28 ASN ND2 . 19851 1 274 . 1 1 29 29 ILE H H 1 7.285 0.023 . 1 . . . A 29 ILE H . 19851 1 275 . 1 1 29 29 ILE HA H 1 4.379 0.023 . 1 . . . A 29 ILE HA . 19851 1 276 . 1 1 29 29 ILE HB H 1 1.923 0.023 . 1 . . . A 29 ILE HB . 19851 1 277 . 1 1 29 29 ILE HG12 H 1 1.319 0.023 . 2 . . . A 29 ILE HG12 . 19851 1 278 . 1 1 29 29 ILE HG13 H 1 1.376 0.023 . 2 . . . A 29 ILE HG13 . 19851 1 279 . 1 1 29 29 ILE HG21 H 1 0.937 0.023 . 1 . . . A 29 ILE QG2 . 19851 1 280 . 1 1 29 29 ILE HG22 H 1 0.937 0.023 . 1 . . . A 29 ILE QG2 . 19851 1 281 . 1 1 29 29 ILE HG23 H 1 0.937 0.023 . 1 . . . A 29 ILE QG2 . 19851 1 282 . 1 1 29 29 ILE HD11 H 1 0.775 0.023 . 1 . . . A 29 ILE QD1 . 19851 1 283 . 1 1 29 29 ILE HD12 H 1 0.775 0.023 . 1 . . . A 29 ILE QD1 . 19851 1 284 . 1 1 29 29 ILE HD13 H 1 0.775 0.023 . 1 . . . A 29 ILE QD1 . 19851 1 285 . 1 1 29 29 ILE CA C 13 57.403 0.148 . 1 . . . A 29 ILE CA . 19851 1 286 . 1 1 29 29 ILE CB C 13 34.655 0.148 . 1 . . . A 29 ILE CB . 19851 1 287 . 1 1 29 29 ILE CG1 C 13 22.688 0.148 . 1 . . . A 29 ILE CG1 . 19851 1 288 . 1 1 29 29 ILE CG2 C 13 14.531 0.148 . 1 . . . A 29 ILE CG2 . 19851 1 289 . 1 1 29 29 ILE CD1 C 13 11.096 0.148 . 1 . . . A 29 ILE CD1 . 19851 1 290 . 1 1 29 29 ILE N N 15 117.111 0.117 . 1 . . . A 29 ILE N . 19851 1 291 . 1 1 30 30 PRO HA H 1 4.426 0.023 . 1 . . . A 30 PRO HA . 19851 1 292 . 1 1 30 30 PRO HB2 H 1 1.941 0.023 . 2 . . . A 30 PRO HB2 . 19851 1 293 . 1 1 30 30 PRO HB3 H 1 2.449 0.023 . 2 . . . A 30 PRO HB3 . 19851 1 294 . 1 1 30 30 PRO HG2 H 1 1.996 0.023 . 2 . . . A 30 PRO QG . 19851 1 295 . 1 1 30 30 PRO HG3 H 1 1.996 0.023 . 2 . . . A 30 PRO QG . 19851 1 296 . 1 1 30 30 PRO HD2 H 1 3.494 0.023 . 2 . . . A 30 PRO HD2 . 19851 1 297 . 1 1 30 30 PRO HD3 H 1 3.872 0.023 . 2 . . . A 30 PRO HD3 . 19851 1 298 . 1 1 30 30 PRO CA C 13 60.016 0.148 . 1 . . . A 30 PRO CA . 19851 1 299 . 1 1 30 30 PRO CB C 13 30.892 0.148 . 1 . . . A 30 PRO CB . 19851 1 300 . 1 1 30 30 PRO CG C 13 25.460 0.148 . 1 . . . A 30 PRO CG . 19851 1 301 . 1 1 30 30 PRO CD C 13 48.314 0.148 . 1 . . . A 30 PRO CD . 19851 1 302 . 1 1 31 31 LEU H H 1 8.796 0.023 . 1 . . . A 31 LEU H . 19851 1 303 . 1 1 31 31 LEU HA H 1 4.178 0.023 . 1 . . . A 31 LEU HA . 19851 1 304 . 1 1 31 31 LEU HB2 H 1 1.780 0.023 . 2 . . . A 31 LEU HB2 . 19851 1 305 . 1 1 31 31 LEU HB3 H 1 1.998 0.023 . 2 . . . A 31 LEU HB3 . 19851 1 306 . 1 1 31 31 LEU HG H 1 1.831 0.023 . 1 . . . A 31 LEU HG . 19851 1 307 . 1 1 31 31 LEU HD11 H 1 1.056 0.023 . 1 . . . A 31 LEU QD1 . 19851 1 308 . 1 1 31 31 LEU HD12 H 1 1.056 0.023 . 1 . . . A 31 LEU QD1 . 19851 1 309 . 1 1 31 31 LEU HD13 H 1 1.056 0.023 . 1 . . . A 31 LEU QD1 . 19851 1 310 . 1 1 31 31 LEU HD21 H 1 1.030 0.023 . 1 . . . A 31 LEU QD2 . 19851 1 311 . 1 1 31 31 LEU HD22 H 1 1.030 0.023 . 1 . . . A 31 LEU QD2 . 19851 1 312 . 1 1 31 31 LEU HD23 H 1 1.030 0.023 . 1 . . . A 31 LEU QD2 . 19851 1 313 . 1 1 31 31 LEU CA C 13 57.424 0.148 . 1 . . . A 31 LEU CA . 19851 1 314 . 1 1 31 31 LEU CB C 13 37.034 0.148 . 1 . . . A 31 LEU CB . 19851 1 315 . 1 1 31 31 LEU CG C 13 25.446 0.148 . 1 . . . A 31 LEU CG . 19851 1 316 . 1 1 31 31 LEU CD1 C 13 22.624 0.148 . 2 . . . A 31 LEU CD1 . 19851 1 317 . 1 1 31 31 LEU CD2 C 13 22.053 0.148 . 2 . . . A 31 LEU CD2 . 19851 1 318 . 1 1 31 31 LEU N N 15 122.508 0.117 . 1 . . . A 31 LEU N . 19851 1 319 . 1 1 32 32 PRO HA H 1 4.477 0.023 . 1 . . . A 32 PRO HA . 19851 1 320 . 1 1 32 32 PRO HB2 H 1 2.319 0.023 . 2 . . . A 32 PRO HB2 . 19851 1 321 . 1 1 32 32 PRO HB3 H 1 1.818 0.023 . 2 . . . A 32 PRO HB3 . 19851 1 322 . 1 1 32 32 PRO HG2 H 1 2.074 0.023 . 2 . . . A 32 PRO HG2 . 19851 1 323 . 1 1 32 32 PRO HG3 H 1 1.993 0.023 . 2 . . . A 32 PRO HG3 . 19851 1 324 . 1 1 32 32 PRO HD2 H 1 3.849 0.023 . 2 . . . A 32 PRO HD2 . 19851 1 325 . 1 1 32 32 PRO HD3 H 1 3.617 0.023 . 2 . . . A 32 PRO HD3 . 19851 1 326 . 1 1 32 32 PRO CA C 13 63.487 0.148 . 1 . . . A 32 PRO CA . 19851 1 327 . 1 1 32 32 PRO CB C 13 28.054 0.148 . 1 . . . A 32 PRO CB . 19851 1 328 . 1 1 32 32 PRO CG C 13 26.004 0.148 . 1 . . . A 32 PRO CG . 19851 1 329 . 1 1 32 32 PRO CD C 13 47.324 0.148 . 1 . . . A 32 PRO CD . 19851 1 330 . 1 1 33 33 ALA H H 1 6.783 0.023 . 1 . . . A 33 ALA H . 19851 1 331 . 1 1 33 33 ALA HA H 1 4.105 0.023 . 1 . . . A 33 ALA HA . 19851 1 332 . 1 1 33 33 ALA HB1 H 1 1.401 0.023 . 1 . . . A 33 ALA QB . 19851 1 333 . 1 1 33 33 ALA HB2 H 1 1.401 0.023 . 1 . . . A 33 ALA QB . 19851 1 334 . 1 1 33 33 ALA HB3 H 1 1.401 0.023 . 1 . . . A 33 ALA QB . 19851 1 335 . 1 1 33 33 ALA CA C 13 51.872 0.148 . 1 . . . A 33 ALA CA . 19851 1 336 . 1 1 33 33 ALA CB C 13 16.025 0.148 . 1 . . . A 33 ALA CB . 19851 1 337 . 1 1 33 33 ALA N N 15 118.864 0.117 . 1 . . . A 33 ALA N . 19851 1 338 . 1 1 34 34 PHE H H 1 8.187 0.023 . 1 . . . A 34 PHE H . 19851 1 339 . 1 1 34 34 PHE HA H 1 3.936 0.023 . 1 . . . A 34 PHE HA . 19851 1 340 . 1 1 34 34 PHE HB2 H 1 2.828 0.023 . 2 . . . A 34 PHE QB . 19851 1 341 . 1 1 34 34 PHE HB3 H 1 2.828 0.023 . 2 . . . A 34 PHE QB . 19851 1 342 . 1 1 34 34 PHE HD1 H 1 6.429 0.023 . 3 . . . A 34 PHE HD1 . 19851 1 343 . 1 1 34 34 PHE HD2 H 1 6.346 0.023 . 3 . . . A 34 PHE HD2 . 19851 1 344 . 1 1 34 34 PHE HE1 H 1 6.573 0.023 . 3 . . . A 34 PHE QE . 19851 1 345 . 1 1 34 34 PHE HE2 H 1 6.573 0.023 . 3 . . . A 34 PHE QE . 19851 1 346 . 1 1 34 34 PHE CA C 13 57.377 0.148 . 1 . . . A 34 PHE CA . 19851 1 347 . 1 1 34 34 PHE CB C 13 36.789 0.148 . 1 . . . A 34 PHE CB . 19851 1 348 . 1 1 34 34 PHE CD1 C 13 128.179 0.148 . 3 . . . A 34 PHE CD1 . 19851 1 349 . 1 1 34 34 PHE CD2 C 13 128.190 0.148 . 3 . . . A 34 PHE CD2 . 19851 1 350 . 1 1 34 34 PHE CE1 C 13 125.759 0.148 . 3 . . . A 34 PHE CE1 . 19851 1 351 . 1 1 34 34 PHE CZ C 13 128.174 0.148 . 1 . . . A 34 PHE CZ . 19851 1 352 . 1 1 34 34 PHE N N 15 119.400 0.117 . 1 . . . A 34 PHE N . 19851 1 353 . 1 1 35 35 GLY H H 1 8.720 0.023 . 1 . . . A 35 GLY H . 19851 1 354 . 1 1 35 35 GLY HA2 H 1 1.336 0.023 . 2 . . . A 35 GLY HA2 . 19851 1 355 . 1 1 35 35 GLY HA3 H 1 2.853 0.023 . 2 . . . A 35 GLY HA3 . 19851 1 356 . 1 1 35 35 GLY CA C 13 43.276 0.148 . 1 . . . A 35 GLY CA . 19851 1 357 . 1 1 35 35 GLY N N 15 104.919 0.117 . 1 . . . A 35 GLY N . 19851 1 358 . 1 1 36 36 GLN H H 1 7.955 0.023 . 1 . . . A 36 GLN H . 19851 1 359 . 1 1 36 36 GLN HA H 1 3.945 0.023 . 1 . . . A 36 GLN HA . 19851 1 360 . 1 1 36 36 GLN HB2 H 1 1.994 0.023 . 2 . . . A 36 GLN HB2 . 19851 1 361 . 1 1 36 36 GLN HB3 H 1 1.929 0.023 . 2 . . . A 36 GLN HB3 . 19851 1 362 . 1 1 36 36 GLN HG2 H 1 2.314 0.023 . 2 . . . A 36 GLN HG2 . 19851 1 363 . 1 1 36 36 GLN HG3 H 1 2.413 0.023 . 2 . . . A 36 GLN HG3 . 19851 1 364 . 1 1 36 36 GLN HE21 H 1 6.924 0.023 . 2 . . . A 36 GLN HE21 . 19851 1 365 . 1 1 36 36 GLN HE22 H 1 7.433 0.023 . 2 . . . A 36 GLN HE22 . 19851 1 366 . 1 1 36 36 GLN CA C 13 55.346 0.148 . 1 . . . A 36 GLN CA . 19851 1 367 . 1 1 36 36 GLN CB C 13 26.736 0.148 . 1 . . . A 36 GLN CB . 19851 1 368 . 1 1 36 36 GLN CG C 13 31.734 0.148 . 1 . . . A 36 GLN CG . 19851 1 369 . 1 1 36 36 GLN N N 15 117.042 0.117 . 1 . . . A 36 GLN N . 19851 1 370 . 1 1 36 36 GLN NE2 N 15 112.837 0.117 . 1 . . . A 36 GLN NE2 . 19851 1 371 . 1 1 37 37 ARG H H 1 7.996 0.023 . 1 . . . A 37 ARG H . 19851 1 372 . 1 1 37 37 ARG HA H 1 4.207 0.023 . 1 . . . A 37 ARG HA . 19851 1 373 . 1 1 37 37 ARG HB2 H 1 1.811 0.023 . 2 . . . A 37 ARG QB . 19851 1 374 . 1 1 37 37 ARG HB3 H 1 1.811 0.023 . 2 . . . A 37 ARG QB . 19851 1 375 . 1 1 37 37 ARG HG2 H 1 1.442 0.023 . 2 . . . A 37 ARG HG2 . 19851 1 376 . 1 1 37 37 ARG HG3 H 1 1.549 0.023 . 2 . . . A 37 ARG HG3 . 19851 1 377 . 1 1 37 37 ARG HD2 H 1 3.053 0.023 . 2 . . . A 37 ARG QD . 19851 1 378 . 1 1 37 37 ARG HD3 H 1 3.053 0.023 . 2 . . . A 37 ARG QD . 19851 1 379 . 1 1 37 37 ARG CA C 13 54.545 0.148 . 1 . . . A 37 ARG CA . 19851 1 380 . 1 1 37 37 ARG CB C 13 28.249 0.148 . 1 . . . A 37 ARG CB . 19851 1 381 . 1 1 37 37 ARG CG C 13 24.879 0.148 . 1 . . . A 37 ARG CG . 19851 1 382 . 1 1 37 37 ARG CD C 13 40.795 0.148 . 1 . . . A 37 ARG CD . 19851 1 383 . 1 1 37 37 ARG N N 15 115.249 0.117 . 1 . . . A 37 ARG N . 19851 1 384 . 1 1 38 38 ILE H H 1 6.767 0.023 . 1 . . . A 38 ILE H . 19851 1 385 . 1 1 38 38 ILE HA H 1 3.877 0.023 . 1 . . . A 38 ILE HA . 19851 1 386 . 1 1 38 38 ILE HB H 1 2.031 0.023 . 1 . . . A 38 ILE HB . 19851 1 387 . 1 1 38 38 ILE HG12 H 1 1.380 0.023 . 2 . . . A 38 ILE HG12 . 19851 1 388 . 1 1 38 38 ILE HG13 H 1 1.017 0.023 . 2 . . . A 38 ILE HG13 . 19851 1 389 . 1 1 38 38 ILE HG21 H 1 0.681 0.023 . 1 . . . A 38 ILE QG2 . 19851 1 390 . 1 1 38 38 ILE HG22 H 1 0.681 0.023 . 1 . . . A 38 ILE QG2 . 19851 1 391 . 1 1 38 38 ILE HG23 H 1 0.681 0.023 . 1 . . . A 38 ILE QG2 . 19851 1 392 . 1 1 38 38 ILE HD11 H 1 0.802 0.023 . 1 . . . A 38 ILE QD1 . 19851 1 393 . 1 1 38 38 ILE HD12 H 1 0.802 0.023 . 1 . . . A 38 ILE QD1 . 19851 1 394 . 1 1 38 38 ILE HD13 H 1 0.802 0.023 . 1 . . . A 38 ILE QD1 . 19851 1 395 . 1 1 38 38 ILE CA C 13 60.262 0.148 . 1 . . . A 38 ILE CA . 19851 1 396 . 1 1 38 38 ILE CB C 13 33.914 0.148 . 1 . . . A 38 ILE CB . 19851 1 397 . 1 1 38 38 ILE CG1 C 13 25.390 0.148 . 1 . . . A 38 ILE CG1 . 19851 1 398 . 1 1 38 38 ILE CG2 C 13 15.204 0.148 . 1 . . . A 38 ILE CG2 . 19851 1 399 . 1 1 38 38 ILE CD1 C 13 10.009 0.148 . 1 . . . A 38 ILE CD1 . 19851 1 400 . 1 1 38 38 ILE N N 15 116.353 0.117 . 1 . . . A 38 ILE N . 19851 1 401 . 1 1 39 39 ILE H H 1 7.475 0.023 . 1 . . . A 39 ILE H . 19851 1 402 . 1 1 39 39 ILE HA H 1 3.266 0.023 . 1 . . . A 39 ILE HA . 19851 1 403 . 1 1 39 39 ILE HB H 1 1.055 0.023 . 1 . . . A 39 ILE HB . 19851 1 404 . 1 1 39 39 ILE HG12 H 1 -0.223 0.023 . 2 . . . A 39 ILE QG1 . 19851 1 405 . 1 1 39 39 ILE HG13 H 1 -0.223 0.023 . 2 . . . A 39 ILE QG1 . 19851 1 406 . 1 1 39 39 ILE HG21 H 1 0.565 0.023 . 1 . . . A 39 ILE QG2 . 19851 1 407 . 1 1 39 39 ILE HG22 H 1 0.565 0.023 . 1 . . . A 39 ILE QG2 . 19851 1 408 . 1 1 39 39 ILE HG23 H 1 0.565 0.023 . 1 . . . A 39 ILE QG2 . 19851 1 409 . 1 1 39 39 ILE HD11 H 1 0.113 0.023 . 1 . . . A 39 ILE QD1 . 19851 1 410 . 1 1 39 39 ILE HD12 H 1 0.113 0.023 . 1 . . . A 39 ILE QD1 . 19851 1 411 . 1 1 39 39 ILE HD13 H 1 0.113 0.023 . 1 . . . A 39 ILE QD1 . 19851 1 412 . 1 1 39 39 ILE CA C 13 57.919 0.148 . 1 . . . A 39 ILE CA . 19851 1 413 . 1 1 39 39 ILE CB C 13 31.159 0.148 . 1 . . . A 39 ILE CB . 19851 1 414 . 1 1 39 39 ILE CG1 C 13 22.768 0.148 . 1 . . . A 39 ILE CG1 . 19851 1 415 . 1 1 39 39 ILE CG2 C 13 16.362 0.148 . 1 . . . A 39 ILE CG2 . 19851 1 416 . 1 1 39 39 ILE CD1 C 13 5.541 0.148 . 1 . . . A 39 ILE CD1 . 19851 1 417 . 1 1 39 39 ILE N N 15 115.762 0.117 . 1 . . . A 39 ILE N . 19851 1 418 . 1 1 40 40 GLY H H 1 6.846 0.023 . 1 . . . A 40 GLY H . 19851 1 419 . 1 1 40 40 GLY HA2 H 1 3.649 0.023 . 2 . . . A 40 GLY HA2 . 19851 1 420 . 1 1 40 40 GLY HA3 H 1 3.760 0.023 . 2 . . . A 40 GLY HA3 . 19851 1 421 . 1 1 40 40 GLY CA C 13 44.289 0.148 . 1 . . . A 40 GLY CA . 19851 1 422 . 1 1 40 40 GLY N N 15 107.007 0.117 . 1 . . . A 40 GLY N . 19851 1 423 . 1 1 41 41 TRP H H 1 7.572 0.023 . 1 . . . A 41 TRP H . 19851 1 424 . 1 1 41 41 TRP HA H 1 4.232 0.023 . 1 . . . A 41 TRP HA . 19851 1 425 . 1 1 41 41 TRP HB2 H 1 2.641 0.023 . 2 . . . A 41 TRP HB2 . 19851 1 426 . 1 1 41 41 TRP HB3 H 1 3.182 0.023 . 2 . . . A 41 TRP HB3 . 19851 1 427 . 1 1 41 41 TRP HD1 H 1 7.335 0.023 . 1 . . . A 41 TRP HD1 . 19851 1 428 . 1 1 41 41 TRP HE1 H 1 10.321 0.023 . 1 . . . A 41 TRP HE1 . 19851 1 429 . 1 1 41 41 TRP HE3 H 1 7.060 0.023 . 1 . . . A 41 TRP HE3 . 19851 1 430 . 1 1 41 41 TRP HZ2 H 1 7.165 0.023 . 1 . . . A 41 TRP HZ2 . 19851 1 431 . 1 1 41 41 TRP HZ3 H 1 6.852 0.023 . 1 . . . A 41 TRP HZ3 . 19851 1 432 . 1 1 41 41 TRP HH2 H 1 6.766 0.023 . 1 . . . A 41 TRP HH2 . 19851 1 433 . 1 1 41 41 TRP CA C 13 52.560 0.148 . 1 . . . A 41 TRP CA . 19851 1 434 . 1 1 41 41 TRP CB C 13 25.451 0.148 . 1 . . . A 41 TRP CB . 19851 1 435 . 1 1 41 41 TRP CD1 C 13 122.981 0.148 . 1 . . . A 41 TRP CD1 . 19851 1 436 . 1 1 41 41 TRP CE3 C 13 116.292 0.148 . 1 . . . A 41 TRP CE3 . 19851 1 437 . 1 1 41 41 TRP CZ2 C 13 111.782 0.148 . 1 . . . A 41 TRP CZ2 . 19851 1 438 . 1 1 41 41 TRP CZ3 C 13 118.009 0.148 . 1 . . . A 41 TRP CZ3 . 19851 1 439 . 1 1 41 41 TRP CH2 C 13 121.977 0.148 . 1 . . . A 41 TRP CH2 . 19851 1 440 . 1 1 41 41 TRP N N 15 114.542 0.117 . 1 . . . A 41 TRP N . 19851 1 441 . 1 1 41 41 TRP NE1 N 15 132.409 0.117 . 1 . . . A 41 TRP NE1 . 19851 1 442 . 1 1 42 42 GLY H H 1 8.375 0.023 . 1 . . . A 42 GLY H . 19851 1 443 . 1 1 42 42 GLY HA2 H 1 3.676 0.023 . 2 . . . A 42 GLY HA2 . 19851 1 444 . 1 1 42 42 GLY HA3 H 1 3.801 0.023 . 2 . . . A 42 GLY HA3 . 19851 1 445 . 1 1 42 42 GLY CA C 13 44.292 0.148 . 1 . . . A 42 GLY CA . 19851 1 446 . 1 1 42 42 GLY N N 15 110.315 0.117 . 1 . . . A 42 GLY N . 19851 1 447 . 1 1 43 43 THR H H 1 8.545 0.023 . 1 . . . A 43 THR H . 19851 1 448 . 1 1 43 43 THR HA H 1 4.391 0.023 . 1 . . . A 43 THR HA . 19851 1 449 . 1 1 43 43 THR HB H 1 3.918 0.023 . 1 . . . A 43 THR HB . 19851 1 450 . 1 1 43 43 THR HG21 H 1 1.096 0.023 . 1 . . . A 43 THR QG2 . 19851 1 451 . 1 1 43 43 THR HG22 H 1 1.096 0.023 . 1 . . . A 43 THR QG2 . 19851 1 452 . 1 1 43 43 THR HG23 H 1 1.096 0.023 . 1 . . . A 43 THR QG2 . 19851 1 453 . 1 1 43 43 THR CA C 13 58.707 0.148 . 1 . . . A 43 THR CA . 19851 1 454 . 1 1 43 43 THR CB C 13 67.765 0.148 . 1 . . . A 43 THR CB . 19851 1 455 . 1 1 43 43 THR CG2 C 13 18.906 0.148 . 1 . . . A 43 THR CG2 . 19851 1 456 . 1 1 43 43 THR N N 15 116.314 0.117 . 1 . . . A 43 THR N . 19851 1 457 . 1 1 44 44 GLY H H 1 8.564 0.023 . 1 . . . A 44 GLY H . 19851 1 458 . 1 1 44 44 GLY HA2 H 1 3.862 0.023 . 2 . . . A 44 GLY HA2 . 19851 1 459 . 1 1 44 44 GLY HA3 H 1 4.011 0.023 . 2 . . . A 44 GLY HA3 . 19851 1 460 . 1 1 44 44 GLY CA C 13 42.359 0.148 . 1 . . . A 44 GLY CA . 19851 1 461 . 1 1 44 44 GLY N N 15 111.838 0.117 . 1 . . . A 44 GLY N . 19851 1 462 . 1 1 45 45 ALA H H 1 8.796 0.023 . 1 . . . A 45 ALA H . 19851 1 463 . 1 1 45 45 ALA HA H 1 3.799 0.023 . 1 . . . A 45 ALA HA . 19851 1 464 . 1 1 45 45 ALA HB1 H 1 1.361 0.023 . 1 . . . A 45 ALA QB . 19851 1 465 . 1 1 45 45 ALA HB2 H 1 1.361 0.023 . 1 . . . A 45 ALA QB . 19851 1 466 . 1 1 45 45 ALA HB3 H 1 1.361 0.023 . 1 . . . A 45 ALA QB . 19851 1 467 . 1 1 45 45 ALA CA C 13 53.441 0.148 . 1 . . . A 45 ALA CA . 19851 1 468 . 1 1 45 45 ALA CB C 13 16.055 0.148 . 1 . . . A 45 ALA CB . 19851 1 469 . 1 1 45 45 ALA N N 15 126.720 0.117 . 1 . . . A 45 ALA N . 19851 1 470 . 1 1 46 46 GLU H H 1 8.852 0.023 . 1 . . . A 46 GLU H . 19851 1 471 . 1 1 46 46 GLU HA H 1 3.853 0.023 . 1 . . . A 46 GLU HA . 19851 1 472 . 1 1 46 46 GLU HB2 H 1 1.860 0.023 . 2 . . . A 46 GLU HB2 . 19851 1 473 . 1 1 46 46 GLU HB3 H 1 1.963 0.023 . 2 . . . A 46 GLU HB3 . 19851 1 474 . 1 1 46 46 GLU HG2 H 1 2.253 0.023 . 2 . . . A 46 GLU HG2 . 19851 1 475 . 1 1 46 46 GLU HG3 H 1 2.184 0.023 . 2 . . . A 46 GLU HG3 . 19851 1 476 . 1 1 46 46 GLU CA C 13 56.315 0.148 . 1 . . . A 46 GLU CA . 19851 1 477 . 1 1 46 46 GLU CB C 13 26.280 0.148 . 1 . . . A 46 GLU CB . 19851 1 478 . 1 1 46 46 GLU CG C 13 33.568 0.148 . 1 . . . A 46 GLU CG . 19851 1 479 . 1 1 46 46 GLU N N 15 116.146 0.117 . 1 . . . A 46 GLU N . 19851 1 480 . 1 1 47 47 GLY H H 1 7.606 0.023 . 1 . . . A 47 GLY H . 19851 1 481 . 1 1 47 47 GLY HA2 H 1 3.685 0.023 . 2 . . . A 47 GLY HA2 . 19851 1 482 . 1 1 47 47 GLY HA3 H 1 3.791 0.023 . 2 . . . A 47 GLY HA3 . 19851 1 483 . 1 1 47 47 GLY CA C 13 45.137 0.148 . 1 . . . A 47 GLY CA . 19851 1 484 . 1 1 47 47 GLY N N 15 106.444 0.117 . 1 . . . A 47 GLY N . 19851 1 485 . 1 1 48 48 ALA H H 1 7.088 0.023 . 1 . . . A 48 ALA H . 19851 1 486 . 1 1 48 48 ALA HA H 1 3.920 0.023 . 1 . . . A 48 ALA HA . 19851 1 487 . 1 1 48 48 ALA HB1 H 1 1.252 0.023 . 1 . . . A 48 ALA QB . 19851 1 488 . 1 1 48 48 ALA HB2 H 1 1.252 0.023 . 1 . . . A 48 ALA QB . 19851 1 489 . 1 1 48 48 ALA HB3 H 1 1.252 0.023 . 1 . . . A 48 ALA QB . 19851 1 490 . 1 1 48 48 ALA CA C 13 52.505 0.148 . 1 . . . A 48 ALA CA . 19851 1 491 . 1 1 48 48 ALA CB C 13 16.520 0.148 . 1 . . . A 48 ALA CB . 19851 1 492 . 1 1 48 48 ALA N N 15 124.019 0.117 . 1 . . . A 48 ALA N . 19851 1 493 . 1 1 49 49 ARG H H 1 8.287 0.023 . 1 . . . A 49 ARG H . 19851 1 494 . 1 1 49 49 ARG HA H 1 3.392 0.023 . 1 . . . A 49 ARG HA . 19851 1 495 . 1 1 49 49 ARG HB2 H 1 1.352 0.023 . 2 . . . A 49 ARG HB2 . 19851 1 496 . 1 1 49 49 ARG HB3 H 1 0.524 0.023 . 2 . . . A 49 ARG HB3 . 19851 1 497 . 1 1 49 49 ARG HG2 H 1 1.022 0.023 . 2 . . . A 49 ARG HG2 . 19851 1 498 . 1 1 49 49 ARG HG3 H 1 1.121 0.023 . 2 . . . A 49 ARG HG3 . 19851 1 499 . 1 1 49 49 ARG HD2 H 1 2.548 0.023 . 2 . . . A 49 ARG HD2 . 19851 1 500 . 1 1 49 49 ARG HD3 H 1 2.849 0.023 . 2 . . . A 49 ARG HD3 . 19851 1 501 . 1 1 49 49 ARG CA C 13 57.220 0.148 . 1 . . . A 49 ARG CA . 19851 1 502 . 1 1 49 49 ARG CB C 13 27.075 0.148 . 1 . . . A 49 ARG CB . 19851 1 503 . 1 1 49 49 ARG CG C 13 24.531 0.148 . 1 . . . A 49 ARG CG . 19851 1 504 . 1 1 49 49 ARG CD C 13 40.463 0.148 . 1 . . . A 49 ARG CD . 19851 1 505 . 1 1 49 49 ARG N N 15 119.400 0.117 . 1 . . . A 49 ARG N . 19851 1 506 . 1 1 50 50 GLN H H 1 8.126 0.023 . 1 . . . A 50 GLN H . 19851 1 507 . 1 1 50 50 GLN HA H 1 3.814 0.023 . 1 . . . A 50 GLN HA . 19851 1 508 . 1 1 50 50 GLN HB2 H 1 1.967 0.023 . 2 . . . A 50 GLN HB2 . 19851 1 509 . 1 1 50 50 GLN HB3 H 1 1.935 0.023 . 2 . . . A 50 GLN HB3 . 19851 1 510 . 1 1 50 50 GLN HG2 H 1 2.392 0.023 . 2 . . . A 50 GLN HG2 . 19851 1 511 . 1 1 50 50 GLN HG3 H 1 2.238 0.023 . 2 . . . A 50 GLN HG3 . 19851 1 512 . 1 1 50 50 GLN HE21 H 1 7.487 0.023 . 2 . . . A 50 GLN HE21 . 19851 1 513 . 1 1 50 50 GLN HE22 H 1 6.660 0.023 . 2 . . . A 50 GLN HE22 . 19851 1 514 . 1 1 50 50 GLN CA C 13 56.308 0.148 . 1 . . . A 50 GLN CA . 19851 1 515 . 1 1 50 50 GLN CB C 13 25.617 0.148 . 1 . . . A 50 GLN CB . 19851 1 516 . 1 1 50 50 GLN CG C 13 31.614 0.148 . 1 . . . A 50 GLN CG . 19851 1 517 . 1 1 50 50 GLN N N 15 116.877 0.117 . 1 . . . A 50 GLN N . 19851 1 518 . 1 1 50 50 GLN NE2 N 15 112.967 0.117 . 1 . . . A 50 GLN NE2 . 19851 1 519 . 1 1 51 51 ARG H H 1 7.431 0.023 . 1 . . . A 51 ARG H . 19851 1 520 . 1 1 51 51 ARG HA H 1 4.025 0.023 . 1 . . . A 51 ARG HA . 19851 1 521 . 1 1 51 51 ARG HB2 H 1 1.960 0.023 . 2 . . . A 51 ARG QB . 19851 1 522 . 1 1 51 51 ARG HB3 H 1 1.960 0.023 . 2 . . . A 51 ARG QB . 19851 1 523 . 1 1 51 51 ARG HG2 H 1 1.111 0.023 . 2 . . . A 51 ARG HG2 . 19851 1 524 . 1 1 51 51 ARG HG3 H 1 1.585 0.023 . 2 . . . A 51 ARG HG3 . 19851 1 525 . 1 1 51 51 ARG HD2 H 1 3.582 0.023 . 2 . . . A 51 ARG HD2 . 19851 1 526 . 1 1 51 51 ARG HD3 H 1 2.982 0.023 . 2 . . . A 51 ARG HD3 . 19851 1 527 . 1 1 51 51 ARG CA C 13 54.105 0.148 . 1 . . . A 51 ARG CA . 19851 1 528 . 1 1 51 51 ARG CB C 13 27.622 0.148 . 1 . . . A 51 ARG CB . 19851 1 529 . 1 1 51 51 ARG CG C 13 25.067 0.148 . 1 . . . A 51 ARG CG . 19851 1 530 . 1 1 51 51 ARG CD C 13 41.055 0.148 . 1 . . . A 51 ARG CD . 19851 1 531 . 1 1 51 51 ARG N N 15 119.277 0.117 . 1 . . . A 51 ARG N . 19851 1 532 . 1 1 52 52 LEU H H 1 8.252 0.023 . 1 . . . A 52 LEU H . 19851 1 533 . 1 1 52 52 LEU HA H 1 3.857 0.023 . 1 . . . A 52 LEU HA . 19851 1 534 . 1 1 52 52 LEU HB2 H 1 2.243 0.023 . 2 . . . A 52 LEU HB2 . 19851 1 535 . 1 1 52 52 LEU HB3 H 1 1.441 0.023 . 2 . . . A 52 LEU HB3 . 19851 1 536 . 1 1 52 52 LEU HG H 1 1.591 0.023 . 1 . . . A 52 LEU HG . 19851 1 537 . 1 1 52 52 LEU HD11 H 1 1.021 0.023 . 1 . . . A 52 LEU QD1 . 19851 1 538 . 1 1 52 52 LEU HD12 H 1 1.021 0.023 . 1 . . . A 52 LEU QD1 . 19851 1 539 . 1 1 52 52 LEU HD13 H 1 1.021 0.023 . 1 . . . A 52 LEU QD1 . 19851 1 540 . 1 1 52 52 LEU HD21 H 1 0.837 0.023 . 1 . . . A 52 LEU QD2 . 19851 1 541 . 1 1 52 52 LEU HD22 H 1 0.837 0.023 . 1 . . . A 52 LEU QD2 . 19851 1 542 . 1 1 52 52 LEU HD23 H 1 0.837 0.023 . 1 . . . A 52 LEU QD2 . 19851 1 543 . 1 1 52 52 LEU CA C 13 55.656 0.148 . 1 . . . A 52 LEU CA . 19851 1 544 . 1 1 52 52 LEU CB C 13 39.710 0.148 . 1 . . . A 52 LEU CB . 19851 1 545 . 1 1 52 52 LEU CG C 13 24.549 0.148 . 1 . . . A 52 LEU CG . 19851 1 546 . 1 1 52 52 LEU CD1 C 13 24.554 0.148 . 2 . . . A 52 LEU CD1 . 19851 1 547 . 1 1 52 52 LEU CD2 C 13 21.430 0.148 . 2 . . . A 52 LEU CD2 . 19851 1 548 . 1 1 52 52 LEU N N 15 119.687 0.117 . 1 . . . A 52 LEU N . 19851 1 549 . 1 1 53 53 GLU H H 1 7.732 0.023 . 1 . . . A 53 GLU H . 19851 1 550 . 1 1 53 53 GLU HA H 1 3.997 0.023 . 1 . . . A 53 GLU HA . 19851 1 551 . 1 1 53 53 GLU HB2 H 1 1.918 0.023 . 2 . . . A 53 GLU HB2 . 19851 1 552 . 1 1 53 53 GLU HB3 H 1 1.969 0.023 . 2 . . . A 53 GLU HB3 . 19851 1 553 . 1 1 53 53 GLU HG2 H 1 2.192 0.023 . 2 . . . A 53 GLU HG2 . 19851 1 554 . 1 1 53 53 GLU HG3 H 1 2.379 0.023 . 2 . . . A 53 GLU HG3 . 19851 1 555 . 1 1 53 53 GLU CA C 13 55.478 0.148 . 1 . . . A 53 GLU CA . 19851 1 556 . 1 1 53 53 GLU CB C 13 27.372 0.148 . 1 . . . A 53 GLU CB . 19851 1 557 . 1 1 53 53 GLU CG C 13 33.976 0.148 . 1 . . . A 53 GLU CG . 19851 1 558 . 1 1 53 53 GLU N N 15 114.968 0.117 . 1 . . . A 53 GLU N . 19851 1 559 . 1 1 54 54 ASN H H 1 7.635 0.023 . 1 . . . A 54 ASN H . 19851 1 560 . 1 1 54 54 ASN HA H 1 4.801 0.023 . 1 . . . A 54 ASN HA . 19851 1 561 . 1 1 54 54 ASN HB2 H 1 2.666 0.023 . 2 . . . A 54 ASN HB2 . 19851 1 562 . 1 1 54 54 ASN HB3 H 1 2.837 0.023 . 2 . . . A 54 ASN HB3 . 19851 1 563 . 1 1 54 54 ASN HD21 H 1 6.970 0.023 . 2 . . . A 54 ASN HD21 . 19851 1 564 . 1 1 54 54 ASN HD22 H 1 7.479 0.023 . 2 . . . A 54 ASN HD22 . 19851 1 565 . 1 1 54 54 ASN CA C 13 50.797 0.148 . 1 . . . A 54 ASN CA . 19851 1 566 . 1 1 54 54 ASN CB C 13 38.143 0.148 . 1 . . . A 54 ASN CB . 19851 1 567 . 1 1 54 54 ASN N N 15 114.649 0.117 . 1 . . . A 54 ASN N . 19851 1 568 . 1 1 54 54 ASN ND2 N 15 112.953 0.117 . 1 . . . A 54 ASN ND2 . 19851 1 569 . 1 1 55 55 ILE H H 1 8.115 0.023 . 1 . . . A 55 ILE H . 19851 1 570 . 1 1 55 55 ILE HA H 1 4.016 0.023 . 1 . . . A 55 ILE HA . 19851 1 571 . 1 1 55 55 ILE HB H 1 1.892 0.023 . 1 . . . A 55 ILE HB . 19851 1 572 . 1 1 55 55 ILE HG12 H 1 1.523 0.023 . 2 . . . A 55 ILE HG12 . 19851 1 573 . 1 1 55 55 ILE HG13 H 1 1.152 0.023 . 2 . . . A 55 ILE HG13 . 19851 1 574 . 1 1 55 55 ILE HG21 H 1 0.679 0.023 . 1 . . . A 55 ILE QG2 . 19851 1 575 . 1 1 55 55 ILE HG22 H 1 0.679 0.023 . 1 . . . A 55 ILE QG2 . 19851 1 576 . 1 1 55 55 ILE HG23 H 1 0.679 0.023 . 1 . . . A 55 ILE QG2 . 19851 1 577 . 1 1 55 55 ILE HD11 H 1 0.762 0.023 . 1 . . . A 55 ILE QD1 . 19851 1 578 . 1 1 55 55 ILE HD12 H 1 0.762 0.023 . 1 . . . A 55 ILE QD1 . 19851 1 579 . 1 1 55 55 ILE HD13 H 1 0.762 0.023 . 1 . . . A 55 ILE QD1 . 19851 1 580 . 1 1 55 55 ILE CA C 13 61.076 0.148 . 1 . . . A 55 ILE CA . 19851 1 581 . 1 1 55 55 ILE CB C 13 35.546 0.148 . 1 . . . A 55 ILE CB . 19851 1 582 . 1 1 55 55 ILE CG1 C 13 28.120 0.148 . 1 . . . A 55 ILE CG1 . 19851 1 583 . 1 1 55 55 ILE CG2 C 13 11.797 0.148 . 1 . . . A 55 ILE CG2 . 19851 1 584 . 1 1 55 55 ILE CD1 C 13 13.278 0.148 . 1 . . . A 55 ILE CD1 . 19851 1 585 . 1 1 55 55 ILE N N 15 124.024 0.117 . 1 . . . A 55 ILE N . 19851 1 586 . 1 1 56 56 GLN H H 1 9.039 0.023 . 1 . . . A 56 GLN H . 19851 1 587 . 1 1 56 56 GLN HA H 1 4.882 0.023 . 1 . . . A 56 GLN HA . 19851 1 588 . 1 1 56 56 GLN HB2 H 1 2.431 0.023 . 2 . . . A 56 GLN HB2 . 19851 1 589 . 1 1 56 56 GLN HB3 H 1 1.759 0.023 . 2 . . . A 56 GLN HB3 . 19851 1 590 . 1 1 56 56 GLN HG2 H 1 2.450 0.023 . 2 . . . A 56 GLN HG2 . 19851 1 591 . 1 1 56 56 GLN HG3 H 1 2.578 0.023 . 2 . . . A 56 GLN HG3 . 19851 1 592 . 1 1 56 56 GLN HE21 H 1 7.229 0.023 . 2 . . . A 56 GLN HE21 . 19851 1 593 . 1 1 56 56 GLN HE22 H 1 6.787 0.023 . 2 . . . A 56 GLN HE22 . 19851 1 594 . 1 1 56 56 GLN CA C 13 50.392 0.148 . 1 . . . A 56 GLN CA . 19851 1 595 . 1 1 56 56 GLN CB C 13 28.064 0.148 . 1 . . . A 56 GLN CB . 19851 1 596 . 1 1 56 56 GLN CG C 13 30.502 0.148 . 1 . . . A 56 GLN CG . 19851 1 597 . 1 1 56 56 GLN N N 15 125.430 0.117 . 1 . . . A 56 GLN N . 19851 1 598 . 1 1 56 56 GLN NE2 N 15 113.610 0.117 . 1 . . . A 56 GLN NE2 . 19851 1 599 . 1 1 57 57 PRO HA H 1 4.062 0.023 . 1 . . . A 57 PRO HA . 19851 1 600 . 1 1 57 57 PRO HB2 H 1 2.462 0.023 . 2 . . . A 57 PRO HB2 . 19851 1 601 . 1 1 57 57 PRO HB3 H 1 1.926 0.023 . 2 . . . A 57 PRO HB3 . 19851 1 602 . 1 1 57 57 PRO HG2 H 1 2.262 0.023 . 2 . . . A 57 PRO QG . 19851 1 603 . 1 1 57 57 PRO HG3 H 1 2.262 0.023 . 2 . . . A 57 PRO QG . 19851 1 604 . 1 1 57 57 PRO HD2 H 1 3.916 0.023 . 2 . . . A 57 PRO HD2 . 19851 1 605 . 1 1 57 57 PRO HD3 H 1 3.810 0.023 . 2 . . . A 57 PRO HD3 . 19851 1 606 . 1 1 57 57 PRO CA C 13 64.368 0.148 . 1 . . . A 57 PRO CA . 19851 1 607 . 1 1 57 57 PRO CB C 13 29.165 0.148 . 1 . . . A 57 PRO CB . 19851 1 608 . 1 1 57 57 PRO CG C 13 25.768 0.148 . 1 . . . A 57 PRO CG . 19851 1 609 . 1 1 57 57 PRO CD C 13 47.789 0.148 . 1 . . . A 57 PRO CD . 19851 1 610 . 1 1 58 58 ALA H H 1 8.669 0.023 . 1 . . . A 58 ALA H . 19851 1 611 . 1 1 58 58 ALA HA H 1 4.053 0.023 . 1 . . . A 58 ALA HA . 19851 1 612 . 1 1 58 58 ALA HB1 H 1 1.331 0.023 . 1 . . . A 58 ALA QB . 19851 1 613 . 1 1 58 58 ALA HB2 H 1 1.331 0.023 . 1 . . . A 58 ALA QB . 19851 1 614 . 1 1 58 58 ALA HB3 H 1 1.331 0.023 . 1 . . . A 58 ALA QB . 19851 1 615 . 1 1 58 58 ALA CA C 13 52.619 0.148 . 1 . . . A 58 ALA CA . 19851 1 616 . 1 1 58 58 ALA CB C 13 15.943 0.148 . 1 . . . A 58 ALA CB . 19851 1 617 . 1 1 58 58 ALA N N 15 118.399 0.117 . 1 . . . A 58 ALA N . 19851 1 618 . 1 1 59 59 ASP H H 1 7.616 0.023 . 1 . . . A 59 ASP H . 19851 1 619 . 1 1 59 59 ASP HA H 1 4.386 0.023 . 1 . . . A 59 ASP HA . 19851 1 620 . 1 1 59 59 ASP HB2 H 1 2.536 0.023 . 2 . . . A 59 ASP HB2 . 19851 1 621 . 1 1 59 59 ASP HB3 H 1 3.101 0.023 . 2 . . . A 59 ASP HB3 . 19851 1 622 . 1 1 59 59 ASP CA C 13 54.366 0.148 . 1 . . . A 59 ASP CA . 19851 1 623 . 1 1 59 59 ASP CB C 13 39.365 0.148 . 1 . . . A 59 ASP CB . 19851 1 624 . 1 1 59 59 ASP N N 15 116.481 0.117 . 1 . . . A 59 ASP N . 19851 1 625 . 1 1 60 60 VAL H H 1 7.398 0.023 . 1 . . . A 60 VAL H . 19851 1 626 . 1 1 60 60 VAL HA H 1 3.452 0.023 . 1 . . . A 60 VAL HA . 19851 1 627 . 1 1 60 60 VAL HB H 1 2.201 0.023 . 1 . . . A 60 VAL HB . 19851 1 628 . 1 1 60 60 VAL HG11 H 1 0.757 0.023 . 1 . . . A 60 VAL QG1 . 19851 1 629 . 1 1 60 60 VAL HG12 H 1 0.757 0.023 . 1 . . . A 60 VAL QG1 . 19851 1 630 . 1 1 60 60 VAL HG13 H 1 0.757 0.023 . 1 . . . A 60 VAL QG1 . 19851 1 631 . 1 1 60 60 VAL HG21 H 1 1.014 0.023 . 1 . . . A 60 VAL QG2 . 19851 1 632 . 1 1 60 60 VAL HG22 H 1 1.014 0.023 . 1 . . . A 60 VAL QG2 . 19851 1 633 . 1 1 60 60 VAL HG23 H 1 1.014 0.023 . 1 . . . A 60 VAL QG2 . 19851 1 634 . 1 1 60 60 VAL CA C 13 64.085 0.148 . 1 . . . A 60 VAL CA . 19851 1 635 . 1 1 60 60 VAL CB C 13 28.588 0.148 . 1 . . . A 60 VAL CB . 19851 1 636 . 1 1 60 60 VAL CG1 C 13 19.688 0.148 . 2 . . . A 60 VAL CG1 . 19851 1 637 . 1 1 60 60 VAL CG2 C 13 21.722 0.148 . 2 . . . A 60 VAL CG2 . 19851 1 638 . 1 1 60 60 VAL N N 15 121.094 0.117 . 1 . . . A 60 VAL N . 19851 1 639 . 1 1 61 61 SER H H 1 7.997 0.023 . 1 . . . A 61 SER H . 19851 1 640 . 1 1 61 61 SER HA H 1 3.830 0.023 . 1 . . . A 61 SER HA . 19851 1 641 . 1 1 61 61 SER HB2 H 1 3.856 0.023 . 2 . . . A 61 SER QB . 19851 1 642 . 1 1 61 61 SER HB3 H 1 3.856 0.023 . 2 . . . A 61 SER QB . 19851 1 643 . 1 1 61 61 SER CA C 13 56.262 0.148 . 1 . . . A 61 SER CA . 19851 1 644 . 1 1 61 61 SER CB C 13 59.500 0.148 . 1 . . . A 61 SER CB . 19851 1 645 . 1 1 61 61 SER N N 15 115.365 0.117 . 1 . . . A 61 SER N . 19851 1 646 . 1 1 62 62 MET H H 1 7.209 0.023 . 1 . . . A 62 MET H . 19851 1 647 . 1 1 62 62 MET HA H 1 4.212 0.023 . 1 . . . A 62 MET HA . 19851 1 648 . 1 1 62 62 MET HB2 H 1 2.193 0.023 . 2 . . . A 62 MET QB . 19851 1 649 . 1 1 62 62 MET HB3 H 1 2.193 0.023 . 2 . . . A 62 MET QB . 19851 1 650 . 1 1 62 62 MET HG2 H 1 2.585 0.023 . 2 . . . A 62 MET HG2 . 19851 1 651 . 1 1 62 62 MET HG3 H 1 2.620 0.023 . 2 . . . A 62 MET HG3 . 19851 1 652 . 1 1 62 62 MET HE1 H 1 2.002 0.023 . 1 . . . A 62 MET QE . 19851 1 653 . 1 1 62 62 MET HE2 H 1 2.002 0.023 . 1 . . . A 62 MET QE . 19851 1 654 . 1 1 62 62 MET HE3 H 1 2.002 0.023 . 1 . . . A 62 MET QE . 19851 1 655 . 1 1 62 62 MET CA C 13 55.436 0.148 . 1 . . . A 62 MET CA . 19851 1 656 . 1 1 62 62 MET CB C 13 28.841 0.148 . 1 . . . A 62 MET CB . 19851 1 657 . 1 1 62 62 MET CG C 13 29.599 0.148 . 1 . . . A 62 MET CG . 19851 1 658 . 1 1 62 62 MET CE C 13 14.368 0.148 . 1 . . . A 62 MET CE . 19851 1 659 . 1 1 62 62 MET N N 15 120.082 0.117 . 1 . . . A 62 MET N . 19851 1 660 . 1 1 63 63 ILE H H 1 7.769 0.023 . 1 . . . A 63 ILE H . 19851 1 661 . 1 1 63 63 ILE HA H 1 3.483 0.023 . 1 . . . A 63 ILE HA . 19851 1 662 . 1 1 63 63 ILE HB H 1 2.100 0.023 . 1 . . . A 63 ILE HB . 19851 1 663 . 1 1 63 63 ILE HG12 H 1 0.869 0.023 . 2 . . . A 63 ILE HG12 . 19851 1 664 . 1 1 63 63 ILE HG13 H 1 1.781 0.023 . 2 . . . A 63 ILE HG13 . 19851 1 665 . 1 1 63 63 ILE HG21 H 1 0.936 0.023 . 1 . . . A 63 ILE QG2 . 19851 1 666 . 1 1 63 63 ILE HG22 H 1 0.936 0.023 . 1 . . . A 63 ILE QG2 . 19851 1 667 . 1 1 63 63 ILE HG23 H 1 0.936 0.023 . 1 . . . A 63 ILE QG2 . 19851 1 668 . 1 1 63 63 ILE HD11 H 1 0.772 0.023 . 1 . . . A 63 ILE QD1 . 19851 1 669 . 1 1 63 63 ILE HD12 H 1 0.772 0.023 . 1 . . . A 63 ILE QD1 . 19851 1 670 . 1 1 63 63 ILE HD13 H 1 0.772 0.023 . 1 . . . A 63 ILE QD1 . 19851 1 671 . 1 1 63 63 ILE CA C 13 63.695 0.148 . 1 . . . A 63 ILE CA . 19851 1 672 . 1 1 63 63 ILE CB C 13 36.059 0.148 . 1 . . . A 63 ILE CB . 19851 1 673 . 1 1 63 63 ILE CG1 C 13 27.129 0.148 . 1 . . . A 63 ILE CG1 . 19851 1 674 . 1 1 63 63 ILE CG2 C 13 13.721 0.148 . 1 . . . A 63 ILE CG2 . 19851 1 675 . 1 1 63 63 ILE CD1 C 13 11.377 0.148 . 1 . . . A 63 ILE CD1 . 19851 1 676 . 1 1 63 63 ILE N N 15 122.971 0.117 . 1 . . . A 63 ILE N . 19851 1 677 . 1 1 64 64 LYS H H 1 8.005 0.023 . 1 . . . A 64 LYS H . 19851 1 678 . 1 1 64 64 LYS HA H 1 4.180 0.023 . 1 . . . A 64 LYS HA . 19851 1 679 . 1 1 64 64 LYS HB2 H 1 1.640 0.023 . 2 . . . A 64 LYS HB2 . 19851 1 680 . 1 1 64 64 LYS HB3 H 1 1.581 0.023 . 2 . . . A 64 LYS HB3 . 19851 1 681 . 1 1 64 64 LYS HG2 H 1 0.544 0.023 . 2 . . . A 64 LYS HG2 . 19851 1 682 . 1 1 64 64 LYS HG3 H 1 0.707 0.023 . 2 . . . A 64 LYS HG3 . 19851 1 683 . 1 1 64 64 LYS HD2 H 1 1.054 0.023 . 2 . . . A 64 LYS HD2 . 19851 1 684 . 1 1 64 64 LYS HD3 H 1 0.932 0.023 . 2 . . . A 64 LYS HD3 . 19851 1 685 . 1 1 64 64 LYS CA C 13 57.002 0.148 . 1 . . . A 64 LYS CA . 19851 1 686 . 1 1 64 64 LYS CB C 13 30.631 0.148 . 1 . . . A 64 LYS CB . 19851 1 687 . 1 1 64 64 LYS CG C 13 22.675 0.148 . 1 . . . A 64 LYS CG . 19851 1 688 . 1 1 64 64 LYS CD C 13 27.480 0.148 . 1 . . . A 64 LYS CD . 19851 1 689 . 1 1 64 64 LYS N N 15 121.331 0.117 . 1 . . . A 64 LYS N . 19851 1 690 . 1 1 65 65 LYS H H 1 7.779 0.023 . 1 . . . A 65 LYS H . 19851 1 691 . 1 1 65 65 LYS HA H 1 4.045 0.023 . 1 . . . A 65 LYS HA . 19851 1 692 . 1 1 65 65 LYS HB2 H 1 1.936 0.023 . 2 . . . A 65 LYS HB2 . 19851 1 693 . 1 1 65 65 LYS HB3 H 1 1.963 0.023 . 2 . . . A 65 LYS HB3 . 19851 1 694 . 1 1 65 65 LYS HG2 H 1 1.549 0.023 . 2 . . . A 65 LYS HG2 . 19851 1 695 . 1 1 65 65 LYS HG3 H 1 1.428 0.023 . 2 . . . A 65 LYS HG3 . 19851 1 696 . 1 1 65 65 LYS HD2 H 1 1.596 0.023 . 2 . . . A 65 LYS QD . 19851 1 697 . 1 1 65 65 LYS HD3 H 1 1.596 0.023 . 2 . . . A 65 LYS QD . 19851 1 698 . 1 1 65 65 LYS HE2 H 1 2.871 0.023 . 2 . . . A 65 LYS QE . 19851 1 699 . 1 1 65 65 LYS HE3 H 1 2.871 0.023 . 2 . . . A 65 LYS QE . 19851 1 700 . 1 1 65 65 LYS CA C 13 56.036 0.148 . 1 . . . A 65 LYS CA . 19851 1 701 . 1 1 65 65 LYS CB C 13 29.811 0.148 . 1 . . . A 65 LYS CB . 19851 1 702 . 1 1 65 65 LYS CG C 13 22.941 0.148 . 1 . . . A 65 LYS CG . 19851 1 703 . 1 1 65 65 LYS CD C 13 26.705 0.148 . 1 . . . A 65 LYS CD . 19851 1 704 . 1 1 65 65 LYS CE C 13 39.549 0.148 . 1 . . . A 65 LYS CE . 19851 1 705 . 1 1 65 65 LYS N N 15 120.266 0.117 . 1 . . . A 65 LYS N . 19851 1 706 . 1 1 66 66 GLN H H 1 7.385 0.023 . 1 . . . A 66 GLN H . 19851 1 707 . 1 1 66 66 GLN HA H 1 4.312 0.023 . 1 . . . A 66 GLN HA . 19851 1 708 . 1 1 66 66 GLN HB2 H 1 2.401 0.023 . 2 . . . A 66 GLN HB2 . 19851 1 709 . 1 1 66 66 GLN HB3 H 1 1.843 0.023 . 2 . . . A 66 GLN HB3 . 19851 1 710 . 1 1 66 66 GLN HG2 H 1 2.395 0.023 . 2 . . . A 66 GLN QG . 19851 1 711 . 1 1 66 66 GLN HG3 H 1 2.395 0.023 . 2 . . . A 66 GLN QG . 19851 1 712 . 1 1 66 66 GLN HE21 H 1 7.064 0.023 . 2 . . . A 66 GLN HE21 . 19851 1 713 . 1 1 66 66 GLN HE22 H 1 6.823 0.023 . 2 . . . A 66 GLN HE22 . 19851 1 714 . 1 1 66 66 GLN CA C 13 52.912 0.148 . 1 . . . A 66 GLN CA . 19851 1 715 . 1 1 66 66 GLN CB C 13 26.428 0.148 . 1 . . . A 66 GLN CB . 19851 1 716 . 1 1 66 66 GLN CG C 13 31.574 0.148 . 1 . . . A 66 GLN CG . 19851 1 717 . 1 1 66 66 GLN N N 15 115.637 0.117 . 1 . . . A 66 GLN N . 19851 1 718 . 1 1 66 66 GLN NE2 N 15 111.828 0.117 . 1 . . . A 66 GLN NE2 . 19851 1 719 . 1 1 67 67 GLY H H 1 7.913 0.023 . 1 . . . A 67 GLY H . 19851 1 720 . 1 1 67 67 GLY HA2 H 1 3.726 0.023 . 2 . . . A 67 GLY HA2 . 19851 1 721 . 1 1 67 67 GLY HA3 H 1 4.235 0.023 . 2 . . . A 67 GLY HA3 . 19851 1 722 . 1 1 67 67 GLY CA C 13 42.709 0.148 . 1 . . . A 67 GLY CA . 19851 1 723 . 1 1 67 67 GLY N N 15 105.429 0.117 . 1 . . . A 67 GLY N . 19851 1 724 . 1 1 68 68 THR H H 1 7.210 0.023 . 1 . . . A 68 THR H . 19851 1 725 . 1 1 68 68 THR HA H 1 4.477 0.023 . 1 . . . A 68 THR HA . 19851 1 726 . 1 1 68 68 THR HB H 1 3.978 0.023 . 1 . . . A 68 THR HB . 19851 1 727 . 1 1 68 68 THR HG21 H 1 1.415 0.023 . 1 . . . A 68 THR QG2 . 19851 1 728 . 1 1 68 68 THR HG22 H 1 1.415 0.023 . 1 . . . A 68 THR QG2 . 19851 1 729 . 1 1 68 68 THR HG23 H 1 1.415 0.023 . 1 . . . A 68 THR QG2 . 19851 1 730 . 1 1 68 68 THR CA C 13 60.488 0.148 . 1 . . . A 68 THR CA . 19851 1 731 . 1 1 68 68 THR CB C 13 65.980 0.148 . 1 . . . A 68 THR CB . 19851 1 732 . 1 1 68 68 THR CG2 C 13 20.106 0.148 . 1 . . . A 68 THR CG2 . 19851 1 733 . 1 1 68 68 THR N N 15 115.943 0.117 . 1 . . . A 68 THR N . 19851 1 734 . 1 1 69 69 THR H H 1 7.841 0.023 . 1 . . . A 69 THR H . 19851 1 735 . 1 1 69 69 THR HA H 1 5.027 0.023 . 1 . . . A 69 THR HA . 19851 1 736 . 1 1 69 69 THR HB H 1 4.712 0.023 . 1 . . . A 69 THR HB . 19851 1 737 . 1 1 69 69 THR HG21 H 1 1.279 0.023 . 1 . . . A 69 THR QG2 . 19851 1 738 . 1 1 69 69 THR HG22 H 1 1.279 0.023 . 1 . . . A 69 THR QG2 . 19851 1 739 . 1 1 69 69 THR HG23 H 1 1.279 0.023 . 1 . . . A 69 THR QG2 . 19851 1 740 . 1 1 69 69 THR CA C 13 56.692 0.148 . 1 . . . A 69 THR CA . 19851 1 741 . 1 1 69 69 THR CB C 13 68.864 0.148 . 1 . . . A 69 THR CB . 19851 1 742 . 1 1 69 69 THR CG2 C 13 19.288 0.148 . 1 . . . A 69 THR CG2 . 19851 1 743 . 1 1 69 69 THR N N 15 116.877 0.117 . 1 . . . A 69 THR N . 19851 1 744 . 1 1 70 70 LEU H H 1 8.681 0.023 . 1 . . . A 70 LEU H . 19851 1 745 . 1 1 70 70 LEU HA H 1 2.697 0.023 . 1 . . . A 70 LEU HA . 19851 1 746 . 1 1 70 70 LEU HB2 H 1 1.309 0.023 . 2 . . . A 70 LEU HB2 . 19851 1 747 . 1 1 70 70 LEU HB3 H 1 0.201 0.023 . 2 . . . A 70 LEU HB3 . 19851 1 748 . 1 1 70 70 LEU HG H 1 1.131 0.023 . 1 . . . A 70 LEU HG . 19851 1 749 . 1 1 70 70 LEU HD11 H 1 0.200 0.023 . 1 . . . A 70 LEU QD1 . 19851 1 750 . 1 1 70 70 LEU HD12 H 1 0.200 0.023 . 1 . . . A 70 LEU QD1 . 19851 1 751 . 1 1 70 70 LEU HD13 H 1 0.200 0.023 . 1 . . . A 70 LEU QD1 . 19851 1 752 . 1 1 70 70 LEU HD21 H 1 0.602 0.023 . 1 . . . A 70 LEU QD2 . 19851 1 753 . 1 1 70 70 LEU HD22 H 1 0.602 0.023 . 1 . . . A 70 LEU QD2 . 19851 1 754 . 1 1 70 70 LEU HD23 H 1 0.602 0.023 . 1 . . . A 70 LEU QD2 . 19851 1 755 . 1 1 70 70 LEU CA C 13 54.402 0.148 . 1 . . . A 70 LEU CA . 19851 1 756 . 1 1 70 70 LEU CB C 13 37.619 0.148 . 1 . . . A 70 LEU CB . 19851 1 757 . 1 1 70 70 LEU CG C 13 23.522 0.148 . 1 . . . A 70 LEU CG . 19851 1 758 . 1 1 70 70 LEU CD1 C 13 18.445 0.148 . 2 . . . A 70 LEU CD1 . 19851 1 759 . 1 1 70 70 LEU CD2 C 13 22.772 0.148 . 2 . . . A 70 LEU CD2 . 19851 1 760 . 1 1 70 70 LEU N N 15 124.543 0.117 . 1 . . . A 70 LEU N . 19851 1 761 . 1 1 71 71 GLU H H 1 8.427 0.023 . 1 . . . A 71 GLU H . 19851 1 762 . 1 1 71 71 GLU HA H 1 3.852 0.023 . 1 . . . A 71 GLU HA . 19851 1 763 . 1 1 71 71 GLU HB2 H 1 1.776 0.023 . 2 . . . A 71 GLU HB2 . 19851 1 764 . 1 1 71 71 GLU HB3 H 1 1.918 0.023 . 2 . . . A 71 GLU HB3 . 19851 1 765 . 1 1 71 71 GLU HG2 H 1 2.241 0.023 . 2 . . . A 71 GLU HG2 . 19851 1 766 . 1 1 71 71 GLU HG3 H 1 2.131 0.023 . 2 . . . A 71 GLU HG3 . 19851 1 767 . 1 1 71 71 GLU CA C 13 57.071 0.148 . 1 . . . A 71 GLU CA . 19851 1 768 . 1 1 71 71 GLU CB C 13 26.188 0.148 . 1 . . . A 71 GLU CB . 19851 1 769 . 1 1 71 71 GLU CG C 13 34.453 0.148 . 1 . . . A 71 GLU CG . 19851 1 770 . 1 1 71 71 GLU N N 15 116.996 0.117 . 1 . . . A 71 GLU N . 19851 1 771 . 1 1 72 72 MET H H 1 7.541 0.023 . 1 . . . A 72 MET H . 19851 1 772 . 1 1 72 72 MET HA H 1 3.938 0.023 . 1 . . . A 72 MET HA . 19851 1 773 . 1 1 72 72 MET HB2 H 1 2.687 0.023 . 2 . . . A 72 MET HB2 . 19851 1 774 . 1 1 72 72 MET HB3 H 1 2.394 0.023 . 2 . . . A 72 MET HB3 . 19851 1 775 . 1 1 72 72 MET HG2 H 1 1.954 0.023 . 2 . . . A 72 MET QG . 19851 1 776 . 1 1 72 72 MET HG3 H 1 1.954 0.023 . 2 . . . A 72 MET QG . 19851 1 777 . 1 1 72 72 MET HE1 H 1 2.029 0.023 . 1 . . . A 72 MET QE . 19851 1 778 . 1 1 72 72 MET HE2 H 1 2.029 0.023 . 1 . . . A 72 MET QE . 19851 1 779 . 1 1 72 72 MET HE3 H 1 2.029 0.023 . 1 . . . A 72 MET QE . 19851 1 780 . 1 1 72 72 MET CA C 13 57.253 0.148 . 1 . . . A 72 MET CA . 19851 1 781 . 1 1 72 72 MET CB C 13 30.786 0.148 . 1 . . . A 72 MET CB . 19851 1 782 . 1 1 72 72 MET CG C 13 29.974 0.148 . 1 . . . A 72 MET CG . 19851 1 783 . 1 1 72 72 MET CE C 13 15.432 0.148 . 1 . . . A 72 MET CE . 19851 1 784 . 1 1 72 72 MET N N 15 118.990 0.117 . 1 . . . A 72 MET N . 19851 1 785 . 1 1 73 73 ILE H H 1 7.459 0.023 . 1 . . . A 73 ILE H . 19851 1 786 . 1 1 73 73 ILE HA H 1 3.878 0.023 . 1 . . . A 73 ILE HA . 19851 1 787 . 1 1 73 73 ILE HB H 1 2.165 0.023 . 1 . . . A 73 ILE HB . 19851 1 788 . 1 1 73 73 ILE HG12 H 1 1.083 0.023 . 2 . . . A 73 ILE HG12 . 19851 1 789 . 1 1 73 73 ILE HG13 H 1 1.642 0.023 . 2 . . . A 73 ILE HG13 . 19851 1 790 . 1 1 73 73 ILE HG21 H 1 0.933 0.023 . 1 . . . A 73 ILE QG2 . 19851 1 791 . 1 1 73 73 ILE HG22 H 1 0.933 0.023 . 1 . . . A 73 ILE QG2 . 19851 1 792 . 1 1 73 73 ILE HG23 H 1 0.933 0.023 . 1 . . . A 73 ILE QG2 . 19851 1 793 . 1 1 73 73 ILE HD11 H 1 0.761 0.023 . 1 . . . A 73 ILE QD1 . 19851 1 794 . 1 1 73 73 ILE HD12 H 1 0.761 0.023 . 1 . . . A 73 ILE QD1 . 19851 1 795 . 1 1 73 73 ILE HD13 H 1 0.761 0.023 . 1 . . . A 73 ILE QD1 . 19851 1 796 . 1 1 73 73 ILE CA C 13 59.377 0.148 . 1 . . . A 73 ILE CA . 19851 1 797 . 1 1 73 73 ILE CB C 13 32.494 0.148 . 1 . . . A 73 ILE CB . 19851 1 798 . 1 1 73 73 ILE CG1 C 13 23.671 0.148 . 1 . . . A 73 ILE CG1 . 19851 1 799 . 1 1 73 73 ILE CG2 C 13 16.838 0.148 . 1 . . . A 73 ILE CG2 . 19851 1 800 . 1 1 73 73 ILE CD1 C 13 7.157 0.148 . 1 . . . A 73 ILE CD1 . 19851 1 801 . 1 1 73 73 ILE N N 15 118.857 0.117 . 1 . . . A 73 ILE N . 19851 1 802 . 1 1 74 74 THR H H 1 8.767 0.023 . 1 . . . A 74 THR H . 19851 1 803 . 1 1 74 74 THR HA H 1 3.917 0.023 . 1 . . . A 74 THR HA . 19851 1 804 . 1 1 74 74 THR HB H 1 4.128 0.023 . 1 . . . A 74 THR HB . 19851 1 805 . 1 1 74 74 THR HG21 H 1 1.102 0.023 . 1 . . . A 74 THR QG2 . 19851 1 806 . 1 1 74 74 THR HG22 H 1 1.102 0.023 . 1 . . . A 74 THR QG2 . 19851 1 807 . 1 1 74 74 THR HG23 H 1 1.102 0.023 . 1 . . . A 74 THR QG2 . 19851 1 808 . 1 1 74 74 THR CA C 13 63.010 0.148 . 1 . . . A 74 THR CA . 19851 1 809 . 1 1 74 74 THR CB C 13 65.678 0.148 . 1 . . . A 74 THR CB . 19851 1 810 . 1 1 74 74 THR CG2 C 13 19.160 0.148 . 1 . . . A 74 THR CG2 . 19851 1 811 . 1 1 74 74 THR N N 15 112.473 0.117 . 1 . . . A 74 THR N . 19851 1 812 . 1 1 75 75 ALA H H 1 7.851 0.023 . 1 . . . A 75 ALA H . 19851 1 813 . 1 1 75 75 ALA HA H 1 4.218 0.023 . 1 . . . A 75 ALA HA . 19851 1 814 . 1 1 75 75 ALA HB1 H 1 1.391 0.023 . 1 . . . A 75 ALA QB . 19851 1 815 . 1 1 75 75 ALA HB2 H 1 1.391 0.023 . 1 . . . A 75 ALA QB . 19851 1 816 . 1 1 75 75 ALA HB3 H 1 1.391 0.023 . 1 . . . A 75 ALA QB . 19851 1 817 . 1 1 75 75 ALA CA C 13 52.488 0.148 . 1 . . . A 75 ALA CA . 19851 1 818 . 1 1 75 75 ALA CB C 13 16.007 0.148 . 1 . . . A 75 ALA CB . 19851 1 819 . 1 1 75 75 ALA N N 15 125.668 0.117 . 1 . . . A 75 ALA N . 19851 1 820 . 1 1 76 76 TRP H H 1 8.522 0.023 . 1 . . . A 76 TRP H . 19851 1 821 . 1 1 76 76 TRP HA H 1 4.281 0.023 . 1 . . . A 76 TRP HA . 19851 1 822 . 1 1 76 76 TRP HB2 H 1 3.660 0.023 . 2 . . . A 76 TRP HB2 . 19851 1 823 . 1 1 76 76 TRP HB3 H 1 3.530 0.023 . 2 . . . A 76 TRP HB3 . 19851 1 824 . 1 1 76 76 TRP HD1 H 1 7.434 0.023 . 1 . . . A 76 TRP HD1 . 19851 1 825 . 1 1 76 76 TRP HE1 H 1 9.215 0.023 . 1 . . . A 76 TRP HE1 . 19851 1 826 . 1 1 76 76 TRP HE3 H 1 7.603 0.023 . 1 . . . A 76 TRP HE3 . 19851 1 827 . 1 1 76 76 TRP HZ2 H 1 6.900 0.023 . 1 . . . A 76 TRP HZ2 . 19851 1 828 . 1 1 76 76 TRP HZ3 H 1 6.583 0.023 . 1 . . . A 76 TRP HZ3 . 19851 1 829 . 1 1 76 76 TRP HH2 H 1 6.882 0.023 . 1 . . . A 76 TRP HH2 . 19851 1 830 . 1 1 76 76 TRP CA C 13 59.146 0.148 . 1 . . . A 76 TRP CA . 19851 1 831 . 1 1 76 76 TRP CB C 13 27.353 0.148 . 1 . . . A 76 TRP CB . 19851 1 832 . 1 1 76 76 TRP CD1 C 13 124.762 0.148 . 1 . . . A 76 TRP CD1 . 19851 1 833 . 1 1 76 76 TRP CE3 C 13 116.875 0.148 . 1 . . . A 76 TRP CE3 . 19851 1 834 . 1 1 76 76 TRP CZ2 C 13 112.438 0.148 . 1 . . . A 76 TRP CZ2 . 19851 1 835 . 1 1 76 76 TRP CZ3 C 13 119.407 0.148 . 1 . . . A 76 TRP CZ3 . 19851 1 836 . 1 1 76 76 TRP CH2 C 13 121.870 0.148 . 1 . . . A 76 TRP CH2 . 19851 1 837 . 1 1 76 76 TRP N N 15 121.447 0.117 . 1 . . . A 76 TRP N . 19851 1 838 . 1 1 76 76 TRP NE1 N 15 129.062 0.117 . 1 . . . A 76 TRP NE1 . 19851 1 839 . 1 1 77 77 GLN H H 1 8.879 0.023 . 1 . . . A 77 GLN H . 19851 1 840 . 1 1 77 77 GLN HA H 1 3.887 0.023 . 1 . . . A 77 GLN HA . 19851 1 841 . 1 1 77 77 GLN HB2 H 1 2.172 0.023 . 2 . . . A 77 GLN HB2 . 19851 1 842 . 1 1 77 77 GLN HB3 H 1 2.360 0.023 . 2 . . . A 77 GLN HB3 . 19851 1 843 . 1 1 77 77 GLN HG2 H 1 2.168 0.023 . 2 . . . A 77 GLN HG2 . 19851 1 844 . 1 1 77 77 GLN HG3 H 1 2.460 0.023 . 2 . . . A 77 GLN HG3 . 19851 1 845 . 1 1 77 77 GLN HE21 H 1 7.583 0.023 . 2 . . . A 77 GLN HE21 . 19851 1 846 . 1 1 77 77 GLN HE22 H 1 6.259 0.023 . 2 . . . A 77 GLN HE22 . 19851 1 847 . 1 1 77 77 GLN CA C 13 58.324 0.148 . 1 . . . A 77 GLN CA . 19851 1 848 . 1 1 77 77 GLN CB C 13 25.784 0.148 . 1 . . . A 77 GLN CB . 19851 1 849 . 1 1 77 77 GLN CG C 13 29.977 0.148 . 1 . . . A 77 GLN CG . 19851 1 850 . 1 1 77 77 GLN N N 15 122.113 0.117 . 1 . . . A 77 GLN N . 19851 1 851 . 1 1 77 77 GLN NE2 N 15 108.251 0.117 . 1 . . . A 77 GLN NE2 . 19851 1 852 . 1 1 78 78 ASP H H 1 8.221 0.023 . 1 . . . A 78 ASP H . 19851 1 853 . 1 1 78 78 ASP HA H 1 4.273 0.023 . 1 . . . A 78 ASP HA . 19851 1 854 . 1 1 78 78 ASP HB2 H 1 2.739 0.023 . 2 . . . A 78 ASP HB2 . 19851 1 855 . 1 1 78 78 ASP HB3 H 1 2.589 0.023 . 2 . . . A 78 ASP HB3 . 19851 1 856 . 1 1 78 78 ASP CA C 13 54.837 0.148 . 1 . . . A 78 ASP CA . 19851 1 857 . 1 1 78 78 ASP CB C 13 38.655 0.148 . 1 . . . A 78 ASP CB . 19851 1 858 . 1 1 78 78 ASP N N 15 118.194 0.117 . 1 . . . A 78 ASP N . 19851 1 859 . 1 1 79 79 PHE H H 1 8.071 0.023 . 1 . . . A 79 PHE H . 19851 1 860 . 1 1 79 79 PHE HA H 1 3.950 0.023 . 1 . . . A 79 PHE HA . 19851 1 861 . 1 1 79 79 PHE HB2 H 1 2.988 0.023 . 2 . . . A 79 PHE HB2 . 19851 1 862 . 1 1 79 79 PHE HB3 H 1 2.775 0.023 . 2 . . . A 79 PHE HB3 . 19851 1 863 . 1 1 79 79 PHE HD1 H 1 6.332 0.023 . 3 . . . A 79 PHE QD . 19851 1 864 . 1 1 79 79 PHE HD2 H 1 6.332 0.023 . 3 . . . A 79 PHE QD . 19851 1 865 . 1 1 79 79 PHE HE1 H 1 6.908 0.023 . 3 . . . A 79 PHE QE . 19851 1 866 . 1 1 79 79 PHE HE2 H 1 6.908 0.023 . 3 . . . A 79 PHE QE . 19851 1 867 . 1 1 79 79 PHE HZ H 1 7.030 0.023 . 1 . . . A 79 PHE HZ . 19851 1 868 . 1 1 79 79 PHE CA C 13 58.983 0.148 . 1 . . . A 79 PHE CA . 19851 1 869 . 1 1 79 79 PHE CB C 13 37.203 0.148 . 1 . . . A 79 PHE CB . 19851 1 870 . 1 1 79 79 PHE CD1 C 13 128.763 0.148 . 3 . . . A 79 PHE CD1 . 19851 1 871 . 1 1 79 79 PHE CD2 C 13 128.760 0.148 . 3 . . . A 79 PHE CD2 . 19851 1 872 . 1 1 79 79 PHE CE1 C 13 128.683 0.148 . 3 . . . A 79 PHE CE1 . 19851 1 873 . 1 1 79 79 PHE CE2 C 13 128.683 0.148 . 3 . . . A 79 PHE CE2 . 19851 1 874 . 1 1 79 79 PHE CZ C 13 127.200 0.148 . 1 . . . A 79 PHE CZ . 19851 1 875 . 1 1 79 79 PHE N N 15 119.860 0.117 . 1 . . . A 79 PHE N . 19851 1 876 . 1 1 80 80 TYR H H 1 8.284 0.023 . 1 . . . A 80 TYR H . 19851 1 877 . 1 1 80 80 TYR HA H 1 4.266 0.023 . 1 . . . A 80 TYR HA . 19851 1 878 . 1 1 80 80 TYR HB2 H 1 3.645 0.023 . 2 . . . A 80 TYR HB2 . 19851 1 879 . 1 1 80 80 TYR HB3 H 1 2.650 0.023 . 2 . . . A 80 TYR HB3 . 19851 1 880 . 1 1 80 80 TYR HD1 H 1 7.159 0.023 . 3 . . . A 80 TYR QD . 19851 1 881 . 1 1 80 80 TYR HD2 H 1 7.159 0.023 . 3 . . . A 80 TYR QD . 19851 1 882 . 1 1 80 80 TYR HE1 H 1 7.066 0.023 . 3 . . . A 80 TYR QE . 19851 1 883 . 1 1 80 80 TYR HE2 H 1 7.066 0.023 . 3 . . . A 80 TYR QE . 19851 1 884 . 1 1 80 80 TYR CA C 13 60.764 0.148 . 1 . . . A 80 TYR CA . 19851 1 885 . 1 1 80 80 TYR CB C 13 35.105 0.148 . 1 . . . A 80 TYR CB . 19851 1 886 . 1 1 80 80 TYR CD1 C 13 129.496 0.148 . 3 . . . A 80 TYR CD1 . 19851 1 887 . 1 1 80 80 TYR CD2 C 13 129.496 0.148 . 3 . . . A 80 TYR CD2 . 19851 1 888 . 1 1 80 80 TYR CE1 C 13 116.869 0.148 . 3 . . . A 80 TYR CE1 . 19851 1 889 . 1 1 80 80 TYR CE2 C 13 116.869 0.148 . 3 . . . A 80 TYR CE2 . 19851 1 890 . 1 1 80 80 TYR N N 15 117.578 0.117 . 1 . . . A 80 TYR N . 19851 1 891 . 1 1 81 81 GLU H H 1 8.886 0.023 . 1 . . . A 81 GLU H . 19851 1 892 . 1 1 81 81 GLU HA H 1 4.018 0.023 . 1 . . . A 81 GLU HA . 19851 1 893 . 1 1 81 81 GLU HB2 H 1 2.232 0.023 . 2 . . . A 81 GLU HB2 . 19851 1 894 . 1 1 81 81 GLU HB3 H 1 1.923 0.023 . 2 . . . A 81 GLU HB3 . 19851 1 895 . 1 1 81 81 GLU HG2 H 1 2.596 0.023 . 2 . . . A 81 GLU HG2 . 19851 1 896 . 1 1 81 81 GLU HG3 H 1 2.171 0.023 . 2 . . . A 81 GLU HG3 . 19851 1 897 . 1 1 81 81 GLU CA C 13 57.254 0.148 . 1 . . . A 81 GLU CA . 19851 1 898 . 1 1 81 81 GLU CB C 13 26.468 0.148 . 1 . . . A 81 GLU CB . 19851 1 899 . 1 1 81 81 GLU CG C 13 35.015 0.148 . 1 . . . A 81 GLU CG . 19851 1 900 . 1 1 81 81 GLU N N 15 122.971 0.117 . 1 . . . A 81 GLU N . 19851 1 901 . 1 1 82 82 GLN H H 1 8.268 0.023 . 1 . . . A 82 GLN H . 19851 1 902 . 1 1 82 82 GLN HA H 1 3.907 0.023 . 1 . . . A 82 GLN HA . 19851 1 903 . 1 1 82 82 GLN HB2 H 1 1.928 0.023 . 2 . . . A 82 GLN HB2 . 19851 1 904 . 1 1 82 82 GLN HB3 H 1 1.974 0.023 . 2 . . . A 82 GLN HB3 . 19851 1 905 . 1 1 82 82 GLN HG2 H 1 2.264 0.023 . 2 . . . A 82 GLN HG2 . 19851 1 906 . 1 1 82 82 GLN HG3 H 1 2.388 0.023 . 2 . . . A 82 GLN HG3 . 19851 1 907 . 1 1 82 82 GLN HE21 H 1 7.376 0.023 . 2 . . . A 82 GLN HE21 . 19851 1 908 . 1 1 82 82 GLN HE22 H 1 6.707 0.023 . 2 . . . A 82 GLN HE22 . 19851 1 909 . 1 1 82 82 GLN CA C 13 56.117 0.148 . 1 . . . A 82 GLN CA . 19851 1 910 . 1 1 82 82 GLN CB C 13 25.399 0.148 . 1 . . . A 82 GLN CB . 19851 1 911 . 1 1 82 82 GLN CG C 13 31.641 0.148 . 1 . . . A 82 GLN CG . 19851 1 912 . 1 1 82 82 GLN N N 15 119.419 0.117 . 1 . . . A 82 GLN N . 19851 1 913 . 1 1 82 82 GLN NE2 N 15 111.483 0.117 . 1 . . . A 82 GLN NE2 . 19851 1 914 . 1 1 83 83 GLU H H 1 7.844 0.023 . 1 . . . A 83 GLU H . 19851 1 915 . 1 1 83 83 GLU HA H 1 3.827 0.023 . 1 . . . A 83 GLU HA . 19851 1 916 . 1 1 83 83 GLU HB2 H 1 1.892 0.023 . 2 . . . A 83 GLU QB . 19851 1 917 . 1 1 83 83 GLU HB3 H 1 1.892 0.023 . 2 . . . A 83 GLU QB . 19851 1 918 . 1 1 83 83 GLU HG2 H 1 1.743 0.023 . 2 . . . A 83 GLU HG2 . 19851 1 919 . 1 1 83 83 GLU HG3 H 1 1.822 0.023 . 2 . . . A 83 GLU HG3 . 19851 1 920 . 1 1 83 83 GLU CA C 13 56.318 0.148 . 1 . . . A 83 GLU CA . 19851 1 921 . 1 1 83 83 GLU CB C 13 27.135 0.148 . 1 . . . A 83 GLU CB . 19851 1 922 . 1 1 83 83 GLU CG C 13 33.759 0.148 . 1 . . . A 83 GLU CG . 19851 1 923 . 1 1 83 83 GLU N N 15 120.274 0.117 . 1 . . . A 83 GLU N . 19851 1 924 . 1 1 84 84 GLN H H 1 8.003 0.023 . 1 . . . A 84 GLN H . 19851 1 925 . 1 1 84 84 GLN HA H 1 4.061 0.023 . 1 . . . A 84 GLN HA . 19851 1 926 . 1 1 84 84 GLN HB2 H 1 2.026 0.023 . 2 . . . A 84 GLN QB . 19851 1 927 . 1 1 84 84 GLN HB3 H 1 2.026 0.023 . 2 . . . A 84 GLN QB . 19851 1 928 . 1 1 84 84 GLN HG2 H 1 2.392 0.023 . 2 . . . A 84 GLN HG2 . 19851 1 929 . 1 1 84 84 GLN HG3 H 1 2.253 0.023 . 2 . . . A 84 GLN HG3 . 19851 1 930 . 1 1 84 84 GLN HE21 H 1 6.735 0.023 . 2 . . . A 84 GLN HE21 . 19851 1 931 . 1 1 84 84 GLN HE22 H 1 7.115 0.023 . 2 . . . A 84 GLN HE22 . 19851 1 932 . 1 1 84 84 GLN CA C 13 55.255 0.148 . 1 . . . A 84 GLN CA . 19851 1 933 . 1 1 84 84 GLN CB C 13 26.041 0.148 . 1 . . . A 84 GLN CB . 19851 1 934 . 1 1 84 84 GLN CG C 13 31.427 0.148 . 1 . . . A 84 GLN CG . 19851 1 935 . 1 1 84 84 GLN N N 15 118.521 0.117 . 1 . . . A 84 GLN N . 19851 1 936 . 1 1 84 84 GLN NE2 N 15 109.824 0.117 . 1 . . . A 84 GLN NE2 . 19851 1 937 . 1 1 85 85 GLN H H 1 7.384 0.023 . 1 . . . A 85 GLN H . 19851 1 938 . 1 1 85 85 GLN HA H 1 3.994 0.023 . 1 . . . A 85 GLN HA . 19851 1 939 . 1 1 85 85 GLN HB2 H 1 2.062 0.023 . 2 . . . A 85 GLN HB2 . 19851 1 940 . 1 1 85 85 GLN HB3 H 1 2.010 0.023 . 2 . . . A 85 GLN HB3 . 19851 1 941 . 1 1 85 85 GLN HG2 H 1 2.395 0.023 . 2 . . . A 85 GLN HG2 . 19851 1 942 . 1 1 85 85 GLN HG3 H 1 2.296 0.023 . 2 . . . A 85 GLN HG3 . 19851 1 943 . 1 1 85 85 GLN HE21 H 1 6.704 0.023 . 2 . . . A 85 GLN HE21 . 19851 1 944 . 1 1 85 85 GLN HE22 H 1 7.320 0.023 . 2 . . . A 85 GLN HE22 . 19851 1 945 . 1 1 85 85 GLN CA C 13 54.696 0.148 . 1 . . . A 85 GLN CA . 19851 1 946 . 1 1 85 85 GLN CB C 13 26.070 0.148 . 1 . . . A 85 GLN CB . 19851 1 947 . 1 1 85 85 GLN CG C 13 31.473 0.148 . 1 . . . A 85 GLN CG . 19851 1 948 . 1 1 85 85 GLN N N 15 116.641 0.117 . 1 . . . A 85 GLN N . 19851 1 949 . 1 1 85 85 GLN NE2 N 15 111.594 0.117 . 1 . . . A 85 GLN NE2 . 19851 1 950 . 1 1 86 86 ARG H H 1 7.470 0.023 . 1 . . . A 86 ARG H . 19851 1 951 . 1 1 86 86 ARG HA H 1 4.110 0.023 . 1 . . . A 86 ARG HA . 19851 1 952 . 1 1 86 86 ARG HB2 H 1 1.745 0.023 . 2 . . . A 86 ARG QB . 19851 1 953 . 1 1 86 86 ARG HB3 H 1 1.745 0.023 . 2 . . . A 86 ARG QB . 19851 1 954 . 1 1 86 86 ARG HG2 H 1 1.522 0.023 . 2 . . . A 86 ARG HG2 . 19851 1 955 . 1 1 86 86 ARG HG3 H 1 1.604 0.023 . 2 . . . A 86 ARG HG3 . 19851 1 956 . 1 1 86 86 ARG HD2 H 1 3.053 0.023 . 2 . . . A 86 ARG QD . 19851 1 957 . 1 1 86 86 ARG HD3 H 1 3.053 0.023 . 2 . . . A 86 ARG QD . 19851 1 958 . 1 1 86 86 ARG CA C 13 54.776 0.148 . 1 . . . A 86 ARG CA . 19851 1 959 . 1 1 86 86 ARG CB C 13 28.497 0.148 . 1 . . . A 86 ARG CB . 19851 1 960 . 1 1 86 86 ARG CG C 13 25.240 0.148 . 1 . . . A 86 ARG CG . 19851 1 961 . 1 1 86 86 ARG CD C 13 40.894 0.148 . 1 . . . A 86 ARG CD . 19851 1 962 . 1 1 86 86 ARG N N 15 117.050 0.117 . 1 . . . A 86 ARG N . 19851 1 963 . 1 1 87 87 ASN H H 1 7.681 0.023 . 1 . . . A 87 ASN H . 19851 1 964 . 1 1 87 87 ASN HA H 1 4.704 0.023 . 1 . . . A 87 ASN HA . 19851 1 965 . 1 1 87 87 ASN HB2 H 1 2.836 0.023 . 2 . . . A 87 ASN HB2 . 19851 1 966 . 1 1 87 87 ASN HB3 H 1 2.625 0.023 . 2 . . . A 87 ASN HB3 . 19851 1 967 . 1 1 87 87 ASN HD21 H 1 7.683 0.023 . 2 . . . A 87 ASN HD21 . 19851 1 968 . 1 1 87 87 ASN HD22 H 1 6.865 0.023 . 2 . . . A 87 ASN HD22 . 19851 1 969 . 1 1 87 87 ASN CA C 13 49.890 0.148 . 1 . . . A 87 ASN CA . 19851 1 970 . 1 1 87 87 ASN CB C 13 36.525 0.148 . 1 . . . A 87 ASN CB . 19851 1 971 . 1 1 87 87 ASN N N 15 116.526 0.117 . 1 . . . A 87 ASN N . 19851 1 972 . 1 1 87 87 ASN ND2 N 15 112.382 0.117 . 1 . . . A 87 ASN ND2 . 19851 1 973 . 1 1 88 88 GLU H H 1 8.643 0.023 . 1 . . . A 88 GLU H . 19851 1 974 . 1 1 88 88 GLU HA H 1 4.168 0.023 . 1 . . . A 88 GLU HA . 19851 1 975 . 1 1 88 88 GLU HB2 H 1 1.916 0.023 . 2 . . . A 88 GLU HB2 . 19851 1 976 . 1 1 88 88 GLU HB3 H 1 1.984 0.023 . 2 . . . A 88 GLU HB3 . 19851 1 977 . 1 1 88 88 GLU HG2 H 1 2.180 0.023 . 2 . . . A 88 GLU QG . 19851 1 978 . 1 1 88 88 GLU HG3 H 1 2.180 0.023 . 2 . . . A 88 GLU QG . 19851 1 979 . 1 1 88 88 GLU CA C 13 54.926 0.148 . 1 . . . A 88 GLU CA . 19851 1 980 . 1 1 88 88 GLU CB C 13 26.943 0.148 . 1 . . . A 88 GLU CB . 19851 1 981 . 1 1 88 88 GLU CG C 13 33.316 0.148 . 1 . . . A 88 GLU CG . 19851 1 982 . 1 1 88 88 GLU N N 15 122.265 0.117 . 1 . . . A 88 GLU N . 19851 1 983 . 1 1 89 89 ASN H H 1 8.245 0.023 . 1 . . . A 89 ASN H . 19851 1 984 . 1 1 89 89 ASN HA H 1 4.689 0.023 . 1 . . . A 89 ASN HA . 19851 1 985 . 1 1 89 89 ASN HB2 H 1 2.660 0.023 . 2 . . . A 89 ASN HB2 . 19851 1 986 . 1 1 89 89 ASN HB3 H 1 2.886 0.023 . 2 . . . A 89 ASN HB3 . 19851 1 987 . 1 1 89 89 ASN HD21 H 1 7.600 0.023 . 2 . . . A 89 ASN HD21 . 19851 1 988 . 1 1 89 89 ASN HD22 H 1 6.871 0.023 . 2 . . . A 89 ASN HD22 . 19851 1 989 . 1 1 89 89 ASN CA C 13 50.572 0.148 . 1 . . . A 89 ASN CA . 19851 1 990 . 1 1 89 89 ASN CB C 13 35.698 0.148 . 1 . . . A 89 ASN CB . 19851 1 991 . 1 1 89 89 ASN N N 15 117.200 0.117 . 1 . . . A 89 ASN N . 19851 1 992 . 1 1 89 89 ASN ND2 N 15 113.093 0.117 . 1 . . . A 89 ASN ND2 . 19851 1 993 . 1 1 90 90 ASN H H 1 7.639 0.023 . 1 . . . A 90 ASN H . 19851 1 994 . 1 1 90 90 ASN HA H 1 5.020 0.023 . 1 . . . A 90 ASN HA . 19851 1 995 . 1 1 90 90 ASN HB2 H 1 2.963 0.023 . 2 . . . A 90 ASN HB2 . 19851 1 996 . 1 1 90 90 ASN HB3 H 1 2.620 0.023 . 2 . . . A 90 ASN HB3 . 19851 1 997 . 1 1 90 90 ASN HD21 H 1 7.105 0.023 . 2 . . . A 90 ASN HD21 . 19851 1 998 . 1 1 90 90 ASN HD22 H 1 7.812 0.023 . 2 . . . A 90 ASN HD22 . 19851 1 999 . 1 1 90 90 ASN CA C 13 47.733 0.148 . 1 . . . A 90 ASN CA . 19851 1 1000 . 1 1 90 90 ASN CB C 13 36.130 0.148 . 1 . . . A 90 ASN CB . 19851 1 1001 . 1 1 90 90 ASN N N 15 117.090 0.117 . 1 . . . A 90 ASN N . 19851 1 1002 . 1 1 90 90 ASN ND2 N 15 112.647 0.117 . 1 . . . A 90 ASN ND2 . 19851 1 1003 . 1 1 91 91 PRO HA H 1 4.260 0.023 . 1 . . . A 91 PRO HA . 19851 1 1004 . 1 1 91 91 PRO HB2 H 1 2.314 0.023 . 2 . . . A 91 PRO HB2 . 19851 1 1005 . 1 1 91 91 PRO HB3 H 1 1.942 0.023 . 2 . . . A 91 PRO HB3 . 19851 1 1006 . 1 1 91 91 PRO HG2 H 1 2.003 0.023 . 2 . . . A 91 PRO HG2 . 19851 1 1007 . 1 1 91 91 PRO HG3 H 1 2.043 0.023 . 2 . . . A 91 PRO HG3 . 19851 1 1008 . 1 1 91 91 PRO HD2 H 1 3.935 0.023 . 2 . . . A 91 PRO HD2 . 19851 1 1009 . 1 1 91 91 PRO HD3 H 1 3.663 0.023 . 2 . . . A 91 PRO HD3 . 19851 1 1010 . 1 1 91 91 PRO CA C 13 61.962 0.148 . 1 . . . A 91 PRO CA . 19851 1 1011 . 1 1 91 91 PRO CB C 13 29.062 0.148 . 1 . . . A 91 PRO CB . 19851 1 1012 . 1 1 91 91 PRO CG C 13 24.746 0.148 . 1 . . . A 91 PRO CG . 19851 1 1013 . 1 1 91 91 PRO CD C 13 48.151 0.148 . 1 . . . A 91 PRO CD . 19851 1 1014 . 1 1 92 92 THR H H 1 7.950 0.023 . 1 . . . A 92 THR H . 19851 1 1015 . 1 1 92 92 THR HA H 1 3.395 0.023 . 1 . . . A 92 THR HA . 19851 1 1016 . 1 1 92 92 THR HB H 1 3.988 0.023 . 1 . . . A 92 THR HB . 19851 1 1017 . 1 1 92 92 THR HG21 H 1 0.557 0.023 . 1 . . . A 92 THR QG2 . 19851 1 1018 . 1 1 92 92 THR HG22 H 1 0.557 0.023 . 1 . . . A 92 THR QG2 . 19851 1 1019 . 1 1 92 92 THR HG23 H 1 0.557 0.023 . 1 . . . A 92 THR QG2 . 19851 1 1020 . 1 1 92 92 THR CA C 13 65.540 0.148 . 1 . . . A 92 THR CA . 19851 1 1021 . 1 1 92 92 THR CB C 13 64.457 0.148 . 1 . . . A 92 THR CB . 19851 1 1022 . 1 1 92 92 THR CG2 C 13 18.156 0.148 . 1 . . . A 92 THR CG2 . 19851 1 1023 . 1 1 92 92 THR N N 15 116.879 0.117 . 1 . . . A 92 THR N . 19851 1 1024 . 1 1 93 93 ALA H H 1 7.308 0.023 . 1 . . . A 93 ALA H . 19851 1 1025 . 1 1 93 93 ALA HA H 1 3.566 0.023 . 1 . . . A 93 ALA HA . 19851 1 1026 . 1 1 93 93 ALA HB1 H 1 1.527 0.023 . 1 . . . A 93 ALA QB . 19851 1 1027 . 1 1 93 93 ALA HB2 H 1 1.527 0.023 . 1 . . . A 93 ALA QB . 19851 1 1028 . 1 1 93 93 ALA HB3 H 1 1.527 0.023 . 1 . . . A 93 ALA QB . 19851 1 1029 . 1 1 93 93 ALA CA C 13 52.392 0.148 . 1 . . . A 93 ALA CA . 19851 1 1030 . 1 1 93 93 ALA CB C 13 15.870 0.148 . 1 . . . A 93 ALA CB . 19851 1 1031 . 1 1 93 93 ALA N N 15 122.220 0.117 . 1 . . . A 93 ALA N . 19851 1 1032 . 1 1 94 94 LYS H H 1 7.314 0.023 . 1 . . . A 94 LYS H . 19851 1 1033 . 1 1 94 94 LYS HA H 1 3.749 0.023 . 1 . . . A 94 LYS HA . 19851 1 1034 . 1 1 94 94 LYS HB2 H 1 1.534 0.023 . 2 . . . A 94 LYS QB . 19851 1 1035 . 1 1 94 94 LYS HB3 H 1 1.534 0.023 . 2 . . . A 94 LYS QB . 19851 1 1036 . 1 1 94 94 LYS HG2 H 1 1.142 0.023 . 2 . . . A 94 LYS HG2 . 19851 1 1037 . 1 1 94 94 LYS HG3 H 1 0.445 0.023 . 2 . . . A 94 LYS HG3 . 19851 1 1038 . 1 1 94 94 LYS HD2 H 1 1.361 0.023 . 2 . . . A 94 LYS HD2 . 19851 1 1039 . 1 1 94 94 LYS HD3 H 1 1.304 0.023 . 2 . . . A 94 LYS HD3 . 19851 1 1040 . 1 1 94 94 LYS HE2 H 1 2.536 0.023 . 2 . . . A 94 LYS HE2 . 19851 1 1041 . 1 1 94 94 LYS HE3 H 1 2.466 0.023 . 2 . . . A 94 LYS HE3 . 19851 1 1042 . 1 1 94 94 LYS CA C 13 56.612 0.148 . 1 . . . A 94 LYS CA . 19851 1 1043 . 1 1 94 94 LYS CB C 13 29.792 0.148 . 1 . . . A 94 LYS CB . 19851 1 1044 . 1 1 94 94 LYS CG C 13 21.441 0.148 . 1 . . . A 94 LYS CG . 19851 1 1045 . 1 1 94 94 LYS CD C 13 26.872 0.148 . 1 . . . A 94 LYS CD . 19851 1 1046 . 1 1 94 94 LYS CE C 13 39.040 0.148 . 1 . . . A 94 LYS CE . 19851 1 1047 . 1 1 94 94 LYS N N 15 116.634 0.117 . 1 . . . A 94 LYS N . 19851 1 1048 . 1 1 95 95 TYR H H 1 7.886 0.023 . 1 . . . A 95 TYR H . 19851 1 1049 . 1 1 95 95 TYR HA H 1 4.113 0.023 . 1 . . . A 95 TYR HA . 19851 1 1050 . 1 1 95 95 TYR HB2 H 1 2.684 0.023 . 2 . . . A 95 TYR HB2 . 19851 1 1051 . 1 1 95 95 TYR HB3 H 1 2.630 0.023 . 2 . . . A 95 TYR HB3 . 19851 1 1052 . 1 1 95 95 TYR HD1 H 1 7.005 0.023 . 3 . . . A 95 TYR QD . 19851 1 1053 . 1 1 95 95 TYR HD2 H 1 7.005 0.023 . 3 . . . A 95 TYR QD . 19851 1 1054 . 1 1 95 95 TYR HE1 H 1 6.760 0.023 . 3 . . . A 95 TYR QE . 19851 1 1055 . 1 1 95 95 TYR HE2 H 1 6.760 0.023 . 3 . . . A 95 TYR QE . 19851 1 1056 . 1 1 95 95 TYR CA C 13 59.954 0.148 . 1 . . . A 95 TYR CA . 19851 1 1057 . 1 1 95 95 TYR CB C 13 36.524 0.148 . 1 . . . A 95 TYR CB . 19851 1 1058 . 1 1 95 95 TYR CD1 C 13 129.701 0.148 . 3 . . . A 95 TYR CD1 . 19851 1 1059 . 1 1 95 95 TYR CD2 C 13 129.701 0.148 . 3 . . . A 95 TYR CD2 . 19851 1 1060 . 1 1 95 95 TYR CE1 C 13 115.191 0.148 . 3 . . . A 95 TYR CE1 . 19851 1 1061 . 1 1 95 95 TYR CE2 C 13 115.191 0.148 . 3 . . . A 95 TYR CE2 . 19851 1 1062 . 1 1 95 95 TYR N N 15 114.771 0.117 . 1 . . . A 95 TYR N . 19851 1 1063 . 1 1 96 96 ARG H H 1 8.366 0.023 . 1 . . . A 96 ARG H . 19851 1 1064 . 1 1 96 96 ARG HA H 1 3.710 0.023 . 1 . . . A 96 ARG HA . 19851 1 1065 . 1 1 96 96 ARG HB2 H 1 1.232 0.023 . 2 . . . A 96 ARG HB2 . 19851 1 1066 . 1 1 96 96 ARG HB3 H 1 0.236 0.023 . 2 . . . A 96 ARG HB3 . 19851 1 1067 . 1 1 96 96 ARG HG2 H 1 0.641 0.023 . 2 . . . A 96 ARG HG2 . 19851 1 1068 . 1 1 96 96 ARG HG3 H 1 0.469 0.023 . 2 . . . A 96 ARG HG3 . 19851 1 1069 . 1 1 96 96 ARG HD2 H 1 1.227 0.023 . 2 . . . A 96 ARG HD2 . 19851 1 1070 . 1 1 96 96 ARG HD3 H 1 0.424 0.023 . 2 . . . A 96 ARG HD3 . 19851 1 1071 . 1 1 96 96 ARG CA C 13 58.915 0.148 . 1 . . . A 96 ARG CA . 19851 1 1072 . 1 1 96 96 ARG CB C 13 27.369 0.148 . 1 . . . A 96 ARG CB . 19851 1 1073 . 1 1 96 96 ARG CG C 13 26.329 0.148 . 1 . . . A 96 ARG CG . 19851 1 1074 . 1 1 96 96 ARG CD C 13 39.996 0.148 . 1 . . . A 96 ARG CD . 19851 1 1075 . 1 1 96 96 ARG N N 15 118.985 0.117 . 1 . . . A 96 ARG N . 19851 1 1076 . 1 1 97 97 ALA H H 1 8.423 0.023 . 1 . . . A 97 ALA H . 19851 1 1077 . 1 1 97 97 ALA HA H 1 4.074 0.023 . 1 . . . A 97 ALA HA . 19851 1 1078 . 1 1 97 97 ALA HB1 H 1 1.538 0.023 . 1 . . . A 97 ALA QB . 19851 1 1079 . 1 1 97 97 ALA HB2 H 1 1.538 0.023 . 1 . . . A 97 ALA QB . 19851 1 1080 . 1 1 97 97 ALA HB3 H 1 1.538 0.023 . 1 . . . A 97 ALA QB . 19851 1 1081 . 1 1 97 97 ALA CA C 13 53.945 0.148 . 1 . . . A 97 ALA CA . 19851 1 1082 . 1 1 97 97 ALA CB C 13 15.576 0.148 . 1 . . . A 97 ALA CB . 19851 1 1083 . 1 1 97 97 ALA N N 15 121.092 0.117 . 1 . . . A 97 ALA N . 19851 1 1084 . 1 1 98 98 ARG H H 1 7.610 0.023 . 1 . . . A 98 ARG H . 19851 1 1085 . 1 1 98 98 ARG HA H 1 3.912 0.023 . 1 . . . A 98 ARG HA . 19851 1 1086 . 1 1 98 98 ARG HB2 H 1 1.926 0.023 . 2 . . . A 98 ARG HB2 . 19851 1 1087 . 1 1 98 98 ARG HB3 H 1 1.822 0.023 . 2 . . . A 98 ARG HB3 . 19851 1 1088 . 1 1 98 98 ARG HG2 H 1 1.691 0.023 . 2 . . . A 98 ARG QG . 19851 1 1089 . 1 1 98 98 ARG HG3 H 1 1.691 0.023 . 2 . . . A 98 ARG QG . 19851 1 1090 . 1 1 98 98 ARG HD2 H 1 2.805 0.023 . 2 . . . A 98 ARG HD2 . 19851 1 1091 . 1 1 98 98 ARG HD3 H 1 3.039 0.023 . 2 . . . A 98 ARG HD3 . 19851 1 1092 . 1 1 98 98 ARG CA C 13 56.514 0.148 . 1 . . . A 98 ARG CA . 19851 1 1093 . 1 1 98 98 ARG CB C 13 28.346 0.148 . 1 . . . A 98 ARG CB . 19851 1 1094 . 1 1 98 98 ARG CG C 13 25.070 0.148 . 1 . . . A 98 ARG CG . 19851 1 1095 . 1 1 98 98 ARG CD C 13 41.184 0.148 . 1 . . . A 98 ARG CD . 19851 1 1096 . 1 1 98 98 ARG N N 15 116.714 0.117 . 1 . . . A 98 ARG N . 19851 1 1097 . 1 1 99 99 LEU H H 1 8.525 0.023 . 1 . . . A 99 LEU H . 19851 1 1098 . 1 1 99 99 LEU HA H 1 4.132 0.023 . 1 . . . A 99 LEU HA . 19851 1 1099 . 1 1 99 99 LEU HB2 H 1 2.272 0.023 . 2 . . . A 99 LEU HB2 . 19851 1 1100 . 1 1 99 99 LEU HB3 H 1 1.519 0.023 . 2 . . . A 99 LEU HB3 . 19851 1 1101 . 1 1 99 99 LEU HG H 1 1.617 0.023 . 1 . . . A 99 LEU HG . 19851 1 1102 . 1 1 99 99 LEU HD11 H 1 1.012 0.023 . 1 . . . A 99 LEU QD1 . 19851 1 1103 . 1 1 99 99 LEU HD12 H 1 1.012 0.023 . 1 . . . A 99 LEU QD1 . 19851 1 1104 . 1 1 99 99 LEU HD13 H 1 1.012 0.023 . 1 . . . A 99 LEU QD1 . 19851 1 1105 . 1 1 99 99 LEU HD21 H 1 0.865 0.023 . 1 . . . A 99 LEU QD2 . 19851 1 1106 . 1 1 99 99 LEU HD22 H 1 0.865 0.023 . 1 . . . A 99 LEU QD2 . 19851 1 1107 . 1 1 99 99 LEU HD23 H 1 0.865 0.023 . 1 . . . A 99 LEU QD2 . 19851 1 1108 . 1 1 99 99 LEU CA C 13 55.213 0.148 . 1 . . . A 99 LEU CA . 19851 1 1109 . 1 1 99 99 LEU CB C 13 38.954 0.148 . 1 . . . A 99 LEU CB . 19851 1 1110 . 1 1 99 99 LEU CG C 13 24.877 0.148 . 1 . . . A 99 LEU CG . 19851 1 1111 . 1 1 99 99 LEU CD1 C 13 24.818 0.148 . 2 . . . A 99 LEU CD1 . 19851 1 1112 . 1 1 99 99 LEU CD2 C 13 20.097 0.148 . 2 . . . A 99 LEU CD2 . 19851 1 1113 . 1 1 99 99 LEU N N 15 122.848 0.117 . 1 . . . A 99 LEU N . 19851 1 1114 . 1 1 100 100 MET H H 1 8.274 0.023 . 1 . . . A 100 MET H . 19851 1 1115 . 1 1 100 100 MET HA H 1 4.429 0.023 . 1 . . . A 100 MET HA . 19851 1 1116 . 1 1 100 100 MET HB2 H 1 2.326 0.023 . 2 . . . A 100 MET QB . 19851 1 1117 . 1 1 100 100 MET HB3 H 1 2.326 0.023 . 2 . . . A 100 MET QB . 19851 1 1118 . 1 1 100 100 MET HG2 H 1 3.441 0.023 . 2 . . . A 100 MET HG2 . 19851 1 1119 . 1 1 100 100 MET HG3 H 1 2.895 0.023 . 2 . . . A 100 MET HG3 . 19851 1 1120 . 1 1 100 100 MET HE1 H 1 2.199 0.023 . 1 . . . A 100 MET QE . 19851 1 1121 . 1 1 100 100 MET HE2 H 1 2.199 0.023 . 1 . . . A 100 MET QE . 19851 1 1122 . 1 1 100 100 MET HE3 H 1 2.199 0.023 . 1 . . . A 100 MET QE . 19851 1 1123 . 1 1 100 100 MET CA C 13 54.696 0.148 . 1 . . . A 100 MET CA . 19851 1 1124 . 1 1 100 100 MET CB C 13 28.731 0.148 . 1 . . . A 100 MET CB . 19851 1 1125 . 1 1 100 100 MET CG C 13 29.839 0.148 . 1 . . . A 100 MET CG . 19851 1 1126 . 1 1 100 100 MET CE C 13 16.682 0.148 . 1 . . . A 100 MET CE . 19851 1 1127 . 1 1 100 100 MET N N 15 116.911 0.117 . 1 . . . A 100 MET N . 19851 1 1128 . 1 1 101 101 LYS H H 1 7.663 0.023 . 1 . . . A 101 LYS H . 19851 1 1129 . 1 1 101 101 LYS HA H 1 3.901 0.023 . 1 . . . A 101 LYS HA . 19851 1 1130 . 1 1 101 101 LYS HB2 H 1 1.710 0.023 . 2 . . . A 101 LYS HB2 . 19851 1 1131 . 1 1 101 101 LYS HB3 H 1 1.883 0.023 . 2 . . . A 101 LYS HB3 . 19851 1 1132 . 1 1 101 101 LYS HG2 H 1 1.386 0.023 . 2 . . . A 101 LYS QG . 19851 1 1133 . 1 1 101 101 LYS HG3 H 1 1.386 0.023 . 2 . . . A 101 LYS QG . 19851 1 1134 . 1 1 101 101 LYS HD2 H 1 1.577 0.023 . 2 . . . A 101 LYS HD2 . 19851 1 1135 . 1 1 101 101 LYS HD3 H 1 1.706 0.023 . 2 . . . A 101 LYS HD3 . 19851 1 1136 . 1 1 101 101 LYS HE2 H 1 2.960 0.023 . 2 . . . A 101 LYS QE . 19851 1 1137 . 1 1 101 101 LYS HE3 H 1 2.960 0.023 . 2 . . . A 101 LYS QE . 19851 1 1138 . 1 1 101 101 LYS CA C 13 56.621 0.148 . 1 . . . A 101 LYS CA . 19851 1 1139 . 1 1 101 101 LYS CB C 13 29.841 0.148 . 1 . . . A 101 LYS CB . 19851 1 1140 . 1 1 101 101 LYS CG C 13 22.618 0.148 . 1 . . . A 101 LYS CG . 19851 1 1141 . 1 1 101 101 LYS CD C 13 26.122 0.148 . 1 . . . A 101 LYS CD . 19851 1 1142 . 1 1 101 101 LYS CE C 13 39.993 0.148 . 1 . . . A 101 LYS CE . 19851 1 1143 . 1 1 101 101 LYS N N 15 119.105 0.117 . 1 . . . A 101 LYS N . 19851 1 1144 . 1 1 102 102 LYS H H 1 7.847 0.023 . 1 . . . A 102 LYS H . 19851 1 1145 . 1 1 102 102 LYS HA H 1 4.091 0.023 . 1 . . . A 102 LYS HA . 19851 1 1146 . 1 1 102 102 LYS HB2 H 1 2.066 0.023 . 2 . . . A 102 LYS HB2 . 19851 1 1147 . 1 1 102 102 LYS HB3 H 1 1.753 0.023 . 2 . . . A 102 LYS HB3 . 19851 1 1148 . 1 1 102 102 LYS HG2 H 1 1.298 0.023 . 2 . . . A 102 LYS HG2 . 19851 1 1149 . 1 1 102 102 LYS HG3 H 1 1.399 0.023 . 2 . . . A 102 LYS HG3 . 19851 1 1150 . 1 1 102 102 LYS HD2 H 1 1.733 0.023 . 2 . . . A 102 LYS QD . 19851 1 1151 . 1 1 102 102 LYS HD3 H 1 1.733 0.023 . 2 . . . A 102 LYS QD . 19851 1 1152 . 1 1 102 102 LYS HE2 H 1 2.903 0.023 . 2 . . . A 102 LYS QE . 19851 1 1153 . 1 1 102 102 LYS HE3 H 1 2.903 0.023 . 2 . . . A 102 LYS QE . 19851 1 1154 . 1 1 102 102 LYS CA C 13 56.392 0.148 . 1 . . . A 102 LYS CA . 19851 1 1155 . 1 1 102 102 LYS CB C 13 29.623 0.148 . 1 . . . A 102 LYS CB . 19851 1 1156 . 1 1 102 102 LYS CG C 13 22.684 0.148 . 1 . . . A 102 LYS CG . 19851 1 1157 . 1 1 102 102 LYS CD C 13 27.293 0.148 . 1 . . . A 102 LYS CD . 19851 1 1158 . 1 1 102 102 LYS CE C 13 39.796 0.148 . 1 . . . A 102 LYS CE . 19851 1 1159 . 1 1 102 102 LYS N N 15 119.568 0.117 . 1 . . . A 102 LYS N . 19851 1 1160 . 1 1 103 103 ILE H H 1 8.142 0.023 . 1 . . . A 103 ILE H . 19851 1 1161 . 1 1 103 103 ILE HA H 1 3.503 0.023 . 1 . . . A 103 ILE HA . 19851 1 1162 . 1 1 103 103 ILE HB H 1 2.077 0.023 . 1 . . . A 103 ILE HB . 19851 1 1163 . 1 1 103 103 ILE HG12 H 1 0.715 0.023 . 2 . . . A 103 ILE HG12 . 19851 1 1164 . 1 1 103 103 ILE HG13 H 1 1.985 0.023 . 2 . . . A 103 ILE HG13 . 19851 1 1165 . 1 1 103 103 ILE HG21 H 1 1.198 0.023 . 1 . . . A 103 ILE QG2 . 19851 1 1166 . 1 1 103 103 ILE HG22 H 1 1.198 0.023 . 1 . . . A 103 ILE QG2 . 19851 1 1167 . 1 1 103 103 ILE HG23 H 1 1.198 0.023 . 1 . . . A 103 ILE QG2 . 19851 1 1168 . 1 1 103 103 ILE HD11 H 1 0.861 0.023 . 1 . . . A 103 ILE QD1 . 19851 1 1169 . 1 1 103 103 ILE HD12 H 1 0.861 0.023 . 1 . . . A 103 ILE QD1 . 19851 1 1170 . 1 1 103 103 ILE HD13 H 1 0.861 0.023 . 1 . . . A 103 ILE QD1 . 19851 1 1171 . 1 1 103 103 ILE CA C 13 64.033 0.148 . 1 . . . A 103 ILE CA . 19851 1 1172 . 1 1 103 103 ILE CB C 13 35.032 0.148 . 1 . . . A 103 ILE CB . 19851 1 1173 . 1 1 103 103 ILE CG1 C 13 28.130 0.148 . 1 . . . A 103 ILE CG1 . 19851 1 1174 . 1 1 103 103 ILE CG2 C 13 15.795 0.148 . 1 . . . A 103 ILE CG2 . 19851 1 1175 . 1 1 103 103 ILE CD1 C 13 12.029 0.148 . 1 . . . A 103 ILE CD1 . 19851 1 1176 . 1 1 103 103 ILE N N 15 117.815 0.117 . 1 . . . A 103 ILE N . 19851 1 1177 . 1 1 104 104 ALA H H 1 8.179 0.023 . 1 . . . A 104 ALA H . 19851 1 1178 . 1 1 104 104 ALA HA H 1 3.920 0.023 . 1 . . . A 104 ALA HA . 19851 1 1179 . 1 1 104 104 ALA HB1 H 1 1.384 0.023 . 1 . . . A 104 ALA QB . 19851 1 1180 . 1 1 104 104 ALA HB2 H 1 1.384 0.023 . 1 . . . A 104 ALA QB . 19851 1 1181 . 1 1 104 104 ALA HB3 H 1 1.384 0.023 . 1 . . . A 104 ALA QB . 19851 1 1182 . 1 1 104 104 ALA CA C 13 52.816 0.148 . 1 . . . A 104 ALA CA . 19851 1 1183 . 1 1 104 104 ALA CB C 13 15.191 0.148 . 1 . . . A 104 ALA CB . 19851 1 1184 . 1 1 104 104 ALA N N 15 120.877 0.117 . 1 . . . A 104 ALA N . 19851 1 1185 . 1 1 105 105 ASP H H 1 8.556 0.023 . 1 . . . A 105 ASP H . 19851 1 1186 . 1 1 105 105 ASP HA H 1 4.406 0.023 . 1 . . . A 105 ASP HA . 19851 1 1187 . 1 1 105 105 ASP HB2 H 1 3.010 0.023 . 2 . . . A 105 ASP HB2 . 19851 1 1188 . 1 1 105 105 ASP HB3 H 1 2.639 0.023 . 2 . . . A 105 ASP HB3 . 19851 1 1189 . 1 1 105 105 ASP CA C 13 54.142 0.148 . 1 . . . A 105 ASP CA . 19851 1 1190 . 1 1 105 105 ASP CB C 13 37.859 0.148 . 1 . . . A 105 ASP CB . 19851 1 1191 . 1 1 105 105 ASP N N 15 119.214 0.117 . 1 . . . A 105 ASP N . 19851 1 1192 . 1 1 106 106 LEU H H 1 7.793 0.023 . 1 . . . A 106 LEU H . 19851 1 1193 . 1 1 106 106 LEU HA H 1 4.340 0.023 . 1 . . . A 106 LEU HA . 19851 1 1194 . 1 1 106 106 LEU HB2 H 1 1.602 0.023 . 2 . . . A 106 LEU HB2 . 19851 1 1195 . 1 1 106 106 LEU HB3 H 1 1.933 0.023 . 2 . . . A 106 LEU HB3 . 19851 1 1196 . 1 1 106 106 LEU HG H 1 1.912 0.023 . 1 . . . A 106 LEU HG . 19851 1 1197 . 1 1 106 106 LEU HD11 H 1 0.814 0.023 . 1 . . . A 106 LEU QD1 . 19851 1 1198 . 1 1 106 106 LEU HD12 H 1 0.814 0.023 . 1 . . . A 106 LEU QD1 . 19851 1 1199 . 1 1 106 106 LEU HD13 H 1 0.814 0.023 . 1 . . . A 106 LEU QD1 . 19851 1 1200 . 1 1 106 106 LEU HD21 H 1 0.613 0.023 . 1 . . . A 106 LEU QD2 . 19851 1 1201 . 1 1 106 106 LEU HD22 H 1 0.613 0.023 . 1 . . . A 106 LEU QD2 . 19851 1 1202 . 1 1 106 106 LEU HD23 H 1 0.613 0.023 . 1 . . . A 106 LEU QD2 . 19851 1 1203 . 1 1 106 106 LEU CA C 13 52.050 0.148 . 1 . . . A 106 LEU CA . 19851 1 1204 . 1 1 106 106 LEU CB C 13 41.412 0.148 . 1 . . . A 106 LEU CB . 19851 1 1205 . 1 1 106 106 LEU CG C 13 24.367 0.148 . 1 . . . A 106 LEU CG . 19851 1 1206 . 1 1 106 106 LEU CD1 C 13 20.331 0.148 . 2 . . . A 106 LEU CD1 . 19851 1 1207 . 1 1 106 106 LEU CD2 C 13 23.007 0.148 . 2 . . . A 106 LEU CD2 . 19851 1 1208 . 1 1 106 106 LEU N N 15 120.972 0.117 . 1 . . . A 106 LEU N . 19851 1 1209 . 1 1 107 107 TRP H H 1 7.605 0.023 . 1 . . . A 107 TRP H . 19851 1 1210 . 1 1 107 107 TRP HA H 1 3.529 0.023 . 1 . . . A 107 TRP HA . 19851 1 1211 . 1 1 107 107 TRP HB2 H 1 3.124 0.023 . 2 . . . A 107 TRP HB2 . 19851 1 1212 . 1 1 107 107 TRP HB3 H 1 3.530 0.023 . 2 . . . A 107 TRP HB3 . 19851 1 1213 . 1 1 107 107 TRP HD1 H 1 7.157 0.023 . 1 . . . A 107 TRP HD1 . 19851 1 1214 . 1 1 107 107 TRP HE1 H 1 9.936 0.023 . 1 . . . A 107 TRP HE1 . 19851 1 1215 . 1 1 107 107 TRP HE3 H 1 7.357 0.023 . 1 . . . A 107 TRP HE3 . 19851 1 1216 . 1 1 107 107 TRP HZ2 H 1 7.465 0.023 . 1 . . . A 107 TRP HZ2 . 19851 1 1217 . 1 1 107 107 TRP HZ3 H 1 6.536 0.023 . 1 . . . A 107 TRP HZ3 . 19851 1 1218 . 1 1 107 107 TRP HH2 H 1 6.565 0.023 . 1 . . . A 107 TRP HH2 . 19851 1 1219 . 1 1 107 107 TRP CA C 13 59.075 0.148 . 1 . . . A 107 TRP CA . 19851 1 1220 . 1 1 107 107 TRP CB C 13 28.428 0.148 . 1 . . . A 107 TRP CB . 19851 1 1221 . 1 1 107 107 TRP CD1 C 13 123.760 0.148 . 1 . . . A 107 TRP CD1 . 19851 1 1222 . 1 1 107 107 TRP CE3 C 13 117.567 0.148 . 1 . . . A 107 TRP CE3 . 19851 1 1223 . 1 1 107 107 TRP CZ2 C 13 112.580 0.148 . 1 . . . A 107 TRP CZ2 . 19851 1 1224 . 1 1 107 107 TRP CZ3 C 13 118.479 0.148 . 1 . . . A 107 TRP CZ3 . 19851 1 1225 . 1 1 107 107 TRP CH2 C 13 121.120 0.148 . 1 . . . A 107 TRP CH2 . 19851 1 1226 . 1 1 107 107 TRP N N 15 129.294 0.117 . 1 . . . A 107 TRP N . 19851 1 1227 . 1 1 107 107 TRP NE1 N 15 127.538 0.117 . 1 . . . A 107 TRP NE1 . 19851 1 stop_ save_