data_17606 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17606 _Entry.Title ; Solution structure of RBBP1 chromobarrel domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-28 _Entry.Accession_date 2011-04-28 _Entry.Last_release_date . _Entry.Original_release_date . _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 _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 Weibin Gong . . . 17606 2 Yingang Feng . . . 17606 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17606 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'chromobarrel domain' . 17606 RBBP1 . 17606 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17606 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 327 17606 '15N chemical shifts' 73 17606 '1H chemical shifts' 476 17606 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 2 . . 2012-04-06 2011-04-28 update BMRB 'update entry citation' 17606 1 . . 2012-02-06 2011-04-28 original author 'original release' 17606 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17607 'RBBP1 tudor domain' 17606 PDB 2LCC 'BMRB Entry Tracking System' 17606 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17606 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22247551 _Citation.Full_citation . _Citation.Title 'Structural Insight into Recognition of Methylated Histone Tails by Retinoblastoma-binding Protein 1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 11 _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 8531 _Citation.Page_last 8540 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Weibin Gong . . . 17606 1 2 Tao Zhou . . . 17606 1 3 Jinjin Mo . . . 17606 1 4 Sarah Perrett . . . 17606 1 5 Jinfeng Wang . . . 17606 1 6 Yingang Feng . . . 17606 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17606 _Assembly.ID 1 _Assembly.Name 'RBBP1 chromobarrel domain' _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 RBBP1 1 $RBBP1 A . yes native no no . . . 17606 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RBBP1 _Entity.Sf_category entity _Entity.Sf_framecode RBBP1 _Entity.Entry_ID 17606 _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 ; EDMEPCLTGTKVKVKYGRGK TQKIYEASIKSTEIDDGEVL YLVHYYGWNVRYDEWVKADR IIWPLDKGLEHHHHHH ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9082.347 _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 2LCC . "Solution Structure Of Rbbp1 Chromobarrel Domain" . . . . . 100.00 76 100.00 100.00 3.82e-47 . . . . 17606 1 2 no GB AAB25833 . "retinoblastoma binding protein 1 isoform I, partial [Homo sapiens]" . . . . . 89.47 920 100.00 100.00 4.79e-38 . . . . 17606 1 3 no GB AAB25834 . "retinoblastoma binding protein 1 isoform II, partial [Homo sapiens]" . . . . . 89.47 866 100.00 100.00 2.52e-38 . . . . 17606 1 4 no GB AAB25835 . "retinoblastoma binding protein 1 isoform III, partial [Homo sapiens]" . . . . . 89.47 851 100.00 100.00 3.25e-38 . . . . 17606 1 5 no GB AAB28543 . "retinoblastoma binding protein 1 [Homo sapiens]" . . . . . 89.47 1257 98.53 98.53 1.94e-37 . . . . 17606 1 6 no GB AAI72363 . "AT rich interactive domain 4A (RBP1-like) [synthetic construct]" . . . . . 89.47 1188 100.00 100.00 2.40e-38 . . . . 17606 1 7 no REF NP_001101499 . "AT-rich interactive domain-containing protein 4A [Rattus norvegicus]" . . . . . 81.58 959 98.39 100.00 1.16e-33 . . . . 17606 1 8 no REF NP_001231108 . "AT-rich interactive domain-containing protein 4A [Sus scrofa]" . . . . . 89.47 1259 98.53 98.53 1.84e-37 . . . . 17606 1 9 no REF NP_001243510 . "AT-rich interactive domain-containing protein 4A [Bos taurus]" . . . . . 89.47 1261 98.53 98.53 1.32e-37 . . . . 17606 1 10 no REF NP_002883 . "AT-rich interactive domain-containing protein 4A isoform I [Homo sapiens]" . . . . . 89.47 1257 100.00 100.00 2.84e-38 . . . . 17606 1 11 no REF NP_075376 . "AT-rich interactive domain-containing protein 4A isoform II [Homo sapiens]" . . . . . 89.47 1203 100.00 100.00 1.99e-38 . . . . 17606 1 12 no SP P29374 . "RecName: Full=AT-rich interactive domain-containing protein 4A; Short=ARID domain-containing protein 4A; AltName: Full=Retinobl" . . . . . 89.47 1257 100.00 100.00 2.84e-38 . . . . 17606 1 13 no TPG DAA25277 . "TPA: retinoblastoma-binding protein 1-like [Bos taurus]" . . . . . 89.47 1261 98.53 98.53 1.32e-37 . . . . 17606 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 . GLU . 17606 1 2 . ASP . 17606 1 3 . MET . 17606 1 4 . GLU . 17606 1 5 . PRO . 17606 1 6 . CYS . 17606 1 7 . LEU . 17606 1 8 . THR . 17606 1 9 . GLY . 17606 1 10 . THR . 17606 1 11 . LYS . 17606 1 12 . VAL . 17606 1 13 . LYS . 17606 1 14 . VAL . 17606 1 15 . LYS . 17606 1 16 . TYR . 17606 1 17 . GLY . 17606 1 18 . ARG . 17606 1 19 . GLY . 17606 1 20 . LYS . 17606 1 21 . THR . 17606 1 22 . GLN . 17606 1 23 . LYS . 17606 1 24 . ILE . 17606 1 25 . TYR . 17606 1 26 . GLU . 17606 1 27 . ALA . 17606 1 28 . SER . 17606 1 29 . ILE . 17606 1 30 . LYS . 17606 1 31 . SER . 17606 1 32 . THR . 17606 1 33 . GLU . 17606 1 34 . ILE . 17606 1 35 . ASP . 17606 1 36 . ASP . 17606 1 37 . GLY . 17606 1 38 . GLU . 17606 1 39 . VAL . 17606 1 40 . LEU . 17606 1 41 . TYR . 17606 1 42 . LEU . 17606 1 43 . VAL . 17606 1 44 . HIS . 17606 1 45 . TYR . 17606 1 46 . TYR . 17606 1 47 . GLY . 17606 1 48 . TRP . 17606 1 49 . ASN . 17606 1 50 . VAL . 17606 1 51 . ARG . 17606 1 52 . TYR . 17606 1 53 . ASP . 17606 1 54 . GLU . 17606 1 55 . TRP . 17606 1 56 . VAL . 17606 1 57 . LYS . 17606 1 58 . ALA . 17606 1 59 . ASP . 17606 1 60 . ARG . 17606 1 61 . ILE . 17606 1 62 . ILE . 17606 1 63 . TRP . 17606 1 64 . PRO . 17606 1 65 . LEU . 17606 1 66 . ASP . 17606 1 67 . LYS . 17606 1 68 . GLY . 17606 1 69 . LEU . 17606 1 70 . GLU . 17606 1 71 . HIS . 17606 1 72 . HIS . 17606 1 73 . HIS . 17606 1 74 . HIS . 17606 1 75 . HIS . 17606 1 76 . HIS . 17606 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 . GLU 1 1 17606 1 . ASP 2 2 17606 1 . MET 3 3 17606 1 . GLU 4 4 17606 1 . PRO 5 5 17606 1 . CYS 6 6 17606 1 . LEU 7 7 17606 1 . THR 8 8 17606 1 . GLY 9 9 17606 1 . THR 10 10 17606 1 . LYS 11 11 17606 1 . VAL 12 12 17606 1 . LYS 13 13 17606 1 . VAL 14 14 17606 1 . LYS 15 15 17606 1 . TYR 16 16 17606 1 . GLY 17 17 17606 1 . ARG 18 18 17606 1 . GLY 19 19 17606 1 . LYS 20 20 17606 1 . THR 21 21 17606 1 . GLN 22 22 17606 1 . LYS 23 23 17606 1 . ILE 24 24 17606 1 . TYR 25 25 17606 1 . GLU 26 26 17606 1 . ALA 27 27 17606 1 . SER 28 28 17606 1 . ILE 29 29 17606 1 . LYS 30 30 17606 1 . SER 31 31 17606 1 . THR 32 32 17606 1 . GLU 33 33 17606 1 . ILE 34 34 17606 1 . ASP 35 35 17606 1 . ASP 36 36 17606 1 . GLY 37 37 17606 1 . GLU 38 38 17606 1 . VAL 39 39 17606 1 . LEU 40 40 17606 1 . TYR 41 41 17606 1 . LEU 42 42 17606 1 . VAL 43 43 17606 1 . HIS 44 44 17606 1 . TYR 45 45 17606 1 . TYR 46 46 17606 1 . GLY 47 47 17606 1 . TRP 48 48 17606 1 . ASN 49 49 17606 1 . VAL 50 50 17606 1 . ARG 51 51 17606 1 . TYR 52 52 17606 1 . ASP 53 53 17606 1 . GLU 54 54 17606 1 . TRP 55 55 17606 1 . VAL 56 56 17606 1 . LYS 57 57 17606 1 . ALA 58 58 17606 1 . ASP 59 59 17606 1 . ARG 60 60 17606 1 . ILE 61 61 17606 1 . ILE 62 62 17606 1 . TRP 63 63 17606 1 . PRO 64 64 17606 1 . LEU 65 65 17606 1 . ASP 66 66 17606 1 . LYS 67 67 17606 1 . GLY 68 68 17606 1 . LEU 69 69 17606 1 . GLU 70 70 17606 1 . HIS 71 71 17606 1 . HIS 72 72 17606 1 . HIS 73 73 17606 1 . HIS 74 74 17606 1 . HIS 75 75 17606 1 . HIS 76 76 17606 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 17606 _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 $RBBP1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17606 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 17606 _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 $RBBP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta (DE3)' . . . . . . . . . . . . . . . pET30a . . . . . . 17606 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17606 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RBBP1 '[U-95% 15N]' . . 1 $RBBP1 . . 0.5 . . mM . . . . 17606 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17606 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17606 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17606 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17606 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17606 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17606 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-95% 13C; U-95% 15N]' . . 1 $RBBP1 . . 0.5 . . mM . . . . 17606 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17606 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17606 2 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17606 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17606 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17606 2 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 17606 _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' 0.4 . M 17606 1 pH 7 . pH 17606 1 pressure 1 . atm 17606 1 temperature 298 . K 17606 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17606 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17606 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17606 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17606 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17606 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 17606 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 17606 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17606 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17606 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17606 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17606 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17606 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17606 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17606 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17606 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17606 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17606 1 11 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17606 1 12 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17606 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 17606 _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 . indirect 0.251449530 . . . . . . . . . 17606 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17606 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17606 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 17606 _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' . . . 17606 1 2 '2D 1H-13C HSQC' . . . 17606 1 4 '3D CBCA(CO)NH' . . . 17606 1 5 '3D HNCACB' . . . 17606 1 6 '3D 1H-15N NOESY' . . . 17606 1 7 '3D 1H-13C NOESY' . . . 17606 1 8 '3D 1H-15N TOCSY' . . . 17606 1 9 '3D HBHA(CO)NH' . . . 17606 1 11 '3D HCACO' . . . 17606 1 12 '3D HNCO' . . . 17606 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU HA H 1 4.3690 0.02 . 1 . . . A 1 GLU HA . 17606 1 2 . 1 1 1 1 GLU HB2 H 1 2.0870 0.02 . 2 . . . A 1 GLU HB2 . 17606 1 3 . 1 1 1 1 GLU HB3 H 1 1.9350 0.02 . 2 . . . A 1 GLU HB3 . 17606 1 4 . 1 1 1 1 GLU HG2 H 1 2.2800 0.02 . 2 . . . A 1 GLU HG2 . 17606 1 5 . 1 1 1 1 GLU C C 13 175.7370 0.3 . 1 . . . A 1 GLU C . 17606 1 6 . 1 1 1 1 GLU CA C 13 56.4920 0.3 . 1 . . . A 1 GLU CA . 17606 1 7 . 1 1 1 1 GLU CB C 13 30.4900 0.3 . 1 . . . A 1 GLU CB . 17606 1 8 . 1 1 1 1 GLU CG C 13 36.1760 0.3 . 1 . . . A 1 GLU CG . 17606 1 9 . 1 1 2 2 ASP H H 1 8.5150 0.02 . 1 . . . A 2 ASP H . 17606 1 10 . 1 1 2 2 ASP HA H 1 4.5550 0.02 . 1 . . . A 2 ASP HA . 17606 1 11 . 1 1 2 2 ASP HB2 H 1 2.7030 0.02 . 2 . . . A 2 ASP HB2 . 17606 1 12 . 1 1 2 2 ASP HB3 H 1 2.5890 0.02 . 2 . . . A 2 ASP HB3 . 17606 1 13 . 1 1 2 2 ASP C C 13 176.0300 0.3 . 1 . . . A 2 ASP C . 17606 1 14 . 1 1 2 2 ASP CA C 13 54.5530 0.3 . 1 . . . A 2 ASP CA . 17606 1 15 . 1 1 2 2 ASP CB C 13 41.3040 0.3 . 1 . . . A 2 ASP CB . 17606 1 16 . 1 1 2 2 ASP N N 15 121.5390 0.3 . 1 . . . A 2 ASP N . 17606 1 17 . 1 1 3 3 MET H H 1 8.3400 0.02 . 1 . . . A 3 MET H . 17606 1 18 . 1 1 3 3 MET HA H 1 4.4720 0.02 . 1 . . . A 3 MET HA . 17606 1 19 . 1 1 3 3 MET HB2 H 1 1.9630 0.02 . 2 . . . A 3 MET HB2 . 17606 1 20 . 1 1 3 3 MET HB3 H 1 2.0720 0.02 . 1 . . . A 3 MET HB3 . 17606 1 21 . 1 1 3 3 MET HG2 H 1 2.5010 0.02 . 2 . . . A 3 MET HG2 . 17606 1 22 . 1 1 3 3 MET HG3 H 1 2.5650 0.02 . 2 . . . A 3 MET HG3 . 17606 1 23 . 1 1 3 3 MET C C 13 176.0400 0.3 . 1 . . . A 3 MET C . 17606 1 24 . 1 1 3 3 MET CA C 13 55.3730 0.3 . 1 . . . A 3 MET CA . 17606 1 25 . 1 1 3 3 MET CB C 13 33.1960 0.3 . 1 . . . A 3 MET CB . 17606 1 26 . 1 1 3 3 MET CG C 13 32.0670 0.3 . 1 . . . A 3 MET CG . 17606 1 27 . 1 1 3 3 MET N N 15 120.4690 0.3 . 1 . . . A 3 MET N . 17606 1 28 . 1 1 4 4 GLU H H 1 8.4240 0.02 . 1 . . . A 4 GLU H . 17606 1 29 . 1 1 4 4 GLU HA H 1 4.5380 0.02 . 1 . . . A 4 GLU HA . 17606 1 30 . 1 1 4 4 GLU HB2 H 1 1.9130 0.02 . 2 . . . A 4 GLU HB2 . 17606 1 31 . 1 1 4 4 GLU HB3 H 1 2.0430 0.02 . 2 . . . A 4 GLU HB3 . 17606 1 32 . 1 1 4 4 GLU HG2 H 1 2.2730 0.02 . 2 . . . A 4 GLU HG2 . 17606 1 33 . 1 1 4 4 GLU C C 13 174.5920 0.3 . 1 . . . A 4 GLU C . 17606 1 34 . 1 1 4 4 GLU CA C 13 54.5540 0.3 . 1 . . . A 4 GLU CA . 17606 1 35 . 1 1 4 4 GLU CB C 13 29.6460 0.3 . 1 . . . A 4 GLU CB . 17606 1 36 . 1 1 4 4 GLU CG C 13 36.0710 0.3 . 1 . . . A 4 GLU CG . 17606 1 37 . 1 1 4 4 GLU N N 15 123.5120 0.3 . 1 . . . A 4 GLU N . 17606 1 38 . 1 1 5 5 PRO HA H 1 4.4020 0.02 . 1 . . . A 5 PRO HA . 17606 1 39 . 1 1 5 5 PRO HB2 H 1 2.2470 0.02 . 2 . . . A 5 PRO HB2 . 17606 1 40 . 1 1 5 5 PRO HB3 H 1 1.8590 0.02 . 2 . . . A 5 PRO HB3 . 17606 1 41 . 1 1 5 5 PRO HG2 H 1 1.9810 0.02 . 2 . . . A 5 PRO HG2 . 17606 1 42 . 1 1 5 5 PRO HD2 H 1 3.7640 0.02 . 2 . . . A 5 PRO HD2 . 17606 1 43 . 1 1 5 5 PRO HD3 H 1 3.6710 0.02 . 2 . . . A 5 PRO HD3 . 17606 1 44 . 1 1 5 5 PRO C C 13 176.6690 0.3 . 1 . . . A 5 PRO C . 17606 1 45 . 1 1 5 5 PRO CA C 13 63.4910 0.3 . 1 . . . A 5 PRO CA . 17606 1 46 . 1 1 5 5 PRO CB C 13 32.0020 0.3 . 1 . . . A 5 PRO CB . 17606 1 47 . 1 1 5 5 PRO CG C 13 27.3670 0.3 . 1 . . . A 5 PRO CG . 17606 1 48 . 1 1 5 5 PRO CD C 13 50.7520 0.3 . 1 . . . A 5 PRO CD . 17606 1 49 . 1 1 6 6 CYS H H 1 8.5390 0.02 . 1 . . . A 6 CYS H . 17606 1 50 . 1 1 6 6 CYS HA H 1 4.5220 0.02 . 1 . . . A 6 CYS HA . 17606 1 51 . 1 1 6 6 CYS HB2 H 1 2.9630 0.02 . 2 . . . A 6 CYS HB2 . 17606 1 52 . 1 1 6 6 CYS HB3 H 1 2.9160 0.02 . 2 . . . A 6 CYS HB3 . 17606 1 53 . 1 1 6 6 CYS C C 13 175.0200 0.3 . 1 . . . A 6 CYS C . 17606 1 54 . 1 1 6 6 CYS CA C 13 58.6620 0.3 . 1 . . . A 6 CYS CA . 17606 1 55 . 1 1 6 6 CYS CB C 13 27.6380 0.3 . 1 . . . A 6 CYS CB . 17606 1 56 . 1 1 6 6 CYS N N 15 119.9700 0.3 . 1 . . . A 6 CYS N . 17606 1 57 . 1 1 7 7 LEU H H 1 8.6490 0.02 . 1 . . . A 7 LEU H . 17606 1 58 . 1 1 7 7 LEU HA H 1 4.4330 0.02 . 1 . . . A 7 LEU HA . 17606 1 59 . 1 1 7 7 LEU HB2 H 1 1.7520 0.02 . 2 . . . A 7 LEU HB2 . 17606 1 60 . 1 1 7 7 LEU HB3 H 1 1.6870 0.02 . 2 . . . A 7 LEU HB3 . 17606 1 61 . 1 1 7 7 LEU HG H 1 1.6860 0.02 . 1 . . . A 7 LEU HG . 17606 1 62 . 1 1 7 7 LEU HD11 H 1 0.9770 0.02 . 2 . . . A 7 LEU HD11 . 17606 1 63 . 1 1 7 7 LEU HD12 H 1 0.9770 0.02 . 2 . . . A 7 LEU HD12 . 17606 1 64 . 1 1 7 7 LEU HD13 H 1 0.9770 0.02 . 2 . . . A 7 LEU HD13 . 17606 1 65 . 1 1 7 7 LEU HD21 H 1 0.8830 0.02 . 2 . . . A 7 LEU HD21 . 17606 1 66 . 1 1 7 7 LEU HD22 H 1 0.8830 0.02 . 2 . . . A 7 LEU HD22 . 17606 1 67 . 1 1 7 7 LEU HD23 H 1 0.8830 0.02 . 2 . . . A 7 LEU HD23 . 17606 1 68 . 1 1 7 7 LEU C C 13 178.2440 0.3 . 1 . . . A 7 LEU C . 17606 1 69 . 1 1 7 7 LEU CA C 13 55.3610 0.3 . 1 . . . A 7 LEU CA . 17606 1 70 . 1 1 7 7 LEU CB C 13 42.6870 0.3 . 1 . . . A 7 LEU CB . 17606 1 71 . 1 1 7 7 LEU CG C 13 27.0530 0.3 . 1 . . . A 7 LEU CG . 17606 1 72 . 1 1 7 7 LEU CD1 C 13 25.4750 0.3 . 2 . . . A 7 LEU CD1 . 17606 1 73 . 1 1 7 7 LEU CD2 C 13 23.5920 0.3 . 2 . . . A 7 LEU CD2 . 17606 1 74 . 1 1 7 7 LEU N N 15 125.1460 0.3 . 1 . . . A 7 LEU N . 17606 1 75 . 1 1 8 8 THR H H 1 8.1240 0.02 . 1 . . . A 8 THR H . 17606 1 76 . 1 1 8 8 THR HA H 1 3.9660 0.02 . 1 . . . A 8 THR HA . 17606 1 77 . 1 1 8 8 THR HB H 1 4.1560 0.02 . 1 . . . A 8 THR HB . 17606 1 78 . 1 1 8 8 THR HG21 H 1 1.2500 0.02 . 1 . . . A 8 THR HG21 . 17606 1 79 . 1 1 8 8 THR HG22 H 1 1.2500 0.02 . 1 . . . A 8 THR HG22 . 17606 1 80 . 1 1 8 8 THR HG23 H 1 1.2500 0.02 . 1 . . . A 8 THR HG23 . 17606 1 81 . 1 1 8 8 THR C C 13 175.1080 0.3 . 1 . . . A 8 THR C . 17606 1 82 . 1 1 8 8 THR CA C 13 64.2440 0.3 . 1 . . . A 8 THR CA . 17606 1 83 . 1 1 8 8 THR CB C 13 69.0710 0.3 . 1 . . . A 8 THR CB . 17606 1 84 . 1 1 8 8 THR CG2 C 13 22.0190 0.3 . 1 . . . A 8 THR CG2 . 17606 1 85 . 1 1 8 8 THR N N 15 116.7600 0.3 . 1 . . . A 8 THR N . 17606 1 86 . 1 1 9 9 GLY H H 1 9.0950 0.02 . 1 . . . A 9 GLY H . 17606 1 87 . 1 1 9 9 GLY HA2 H 1 4.3230 0.02 . 2 . . . A 9 GLY HA2 . 17606 1 88 . 1 1 9 9 GLY HA3 H 1 3.8240 0.02 . 2 . . . A 9 GLY HA3 . 17606 1 89 . 1 1 9 9 GLY C C 13 174.5100 0.3 . 1 . . . A 9 GLY C . 17606 1 90 . 1 1 9 9 GLY CA C 13 45.0120 0.3 . 1 . . . A 9 GLY CA . 17606 1 91 . 1 1 9 9 GLY N N 15 113.8100 0.3 . 1 . . . A 9 GLY N . 17606 1 92 . 1 1 10 10 THR H H 1 8.0020 0.02 . 1 . . . A 10 THR H . 17606 1 93 . 1 1 10 10 THR HA H 1 4.1790 0.02 . 1 . . . A 10 THR HA . 17606 1 94 . 1 1 10 10 THR HB H 1 4.1610 0.02 . 1 . . . A 10 THR HB . 17606 1 95 . 1 1 10 10 THR HG21 H 1 1.3380 0.02 . 1 . . . A 10 THR HG21 . 17606 1 96 . 1 1 10 10 THR HG22 H 1 1.3380 0.02 . 1 . . . A 10 THR HG22 . 17606 1 97 . 1 1 10 10 THR HG23 H 1 1.3380 0.02 . 1 . . . A 10 THR HG23 . 17606 1 98 . 1 1 10 10 THR C C 13 173.4500 0.3 . 1 . . . A 10 THR C . 17606 1 99 . 1 1 10 10 THR CA C 13 64.1920 0.3 . 1 . . . A 10 THR CA . 17606 1 100 . 1 1 10 10 THR CB C 13 70.0930 0.3 . 1 . . . A 10 THR CB . 17606 1 101 . 1 1 10 10 THR CG2 C 13 21.4950 0.3 . 1 . . . A 10 THR CG2 . 17606 1 102 . 1 1 10 10 THR N N 15 116.9380 0.3 . 1 . . . A 10 THR N . 17606 1 103 . 1 1 11 11 LYS H H 1 8.5140 0.02 . 1 . . . A 11 LYS H . 17606 1 104 . 1 1 11 11 LYS HA H 1 4.8260 0.02 . 1 . . . A 11 LYS HA . 17606 1 105 . 1 1 11 11 LYS HB2 H 1 1.9690 0.02 . 2 . . . A 11 LYS HB2 . 17606 1 106 . 1 1 11 11 LYS HB3 H 1 1.8130 0.02 . 2 . . . A 11 LYS HB3 . 17606 1 107 . 1 1 11 11 LYS HG2 H 1 1.4230 0.02 . 2 . . . A 11 LYS HG2 . 17606 1 108 . 1 1 11 11 LYS HG3 H 1 1.6040 0.02 . 2 . . . A 11 LYS HG3 . 17606 1 109 . 1 1 11 11 LYS HD2 H 1 1.6380 0.02 . 2 . . . A 11 LYS HD2 . 17606 1 110 . 1 1 11 11 LYS HE2 H 1 2.8620 0.02 . 2 . . . A 11 LYS HE2 . 17606 1 111 . 1 1 11 11 LYS C C 13 176.1570 0.3 . 1 . . . A 11 LYS C . 17606 1 112 . 1 1 11 11 LYS CA C 13 56.7410 0.3 . 1 . . . A 11 LYS CA . 17606 1 113 . 1 1 11 11 LYS CB C 13 32.5550 0.3 . 1 . . . A 11 LYS CB . 17606 1 114 . 1 1 11 11 LYS CG C 13 24.8510 0.3 . 1 . . . A 11 LYS CG . 17606 1 115 . 1 1 11 11 LYS CD C 13 29.0450 0.3 . 1 . . . A 11 LYS CD . 17606 1 116 . 1 1 11 11 LYS CE C 13 42.0480 0.3 . 1 . . . A 11 LYS CE . 17606 1 117 . 1 1 11 11 LYS N N 15 127.2630 0.3 . 1 . . . A 11 LYS N . 17606 1 118 . 1 1 12 12 VAL H H 1 8.7380 0.02 . 1 . . . A 12 VAL H . 17606 1 119 . 1 1 12 12 VAL HA H 1 4.5900 0.02 . 1 . . . A 12 VAL HA . 17606 1 120 . 1 1 12 12 VAL HB H 1 1.8150 0.02 . 1 . . . A 12 VAL HB . 17606 1 121 . 1 1 12 12 VAL HG11 H 1 0.1410 0.02 . 2 . . . A 12 VAL HG11 . 17606 1 122 . 1 1 12 12 VAL HG12 H 1 0.1410 0.02 . 2 . . . A 12 VAL HG12 . 17606 1 123 . 1 1 12 12 VAL HG13 H 1 0.1410 0.02 . 2 . . . A 12 VAL HG13 . 17606 1 124 . 1 1 12 12 VAL HG21 H 1 0.3880 0.02 . 2 . . . A 12 VAL HG21 . 17606 1 125 . 1 1 12 12 VAL HG22 H 1 0.3880 0.02 . 2 . . . A 12 VAL HG22 . 17606 1 126 . 1 1 12 12 VAL HG23 H 1 0.3880 0.02 . 2 . . . A 12 VAL HG23 . 17606 1 127 . 1 1 12 12 VAL C C 13 174.4760 0.3 . 1 . . . A 12 VAL C . 17606 1 128 . 1 1 12 12 VAL CA C 13 59.2120 0.3 . 1 . . . A 12 VAL CA . 17606 1 129 . 1 1 12 12 VAL CB C 13 35.5440 0.3 . 1 . . . A 12 VAL CB . 17606 1 130 . 1 1 12 12 VAL CG1 C 13 17.2000 0.3 . 2 . . . A 12 VAL CG1 . 17606 1 131 . 1 1 12 12 VAL CG2 C 13 22.6480 0.3 . 2 . . . A 12 VAL CG2 . 17606 1 132 . 1 1 12 12 VAL N N 15 116.8920 0.3 . 1 . . . A 12 VAL N . 17606 1 133 . 1 1 13 13 LYS H H 1 7.6770 0.02 . 1 . . . A 13 LYS H . 17606 1 134 . 1 1 13 13 LYS HA H 1 5.1230 0.02 . 1 . . . A 13 LYS HA . 17606 1 135 . 1 1 13 13 LYS HB2 H 1 1.5250 0.02 . 2 . . . A 13 LYS HB2 . 17606 1 136 . 1 1 13 13 LYS HG2 H 1 1.2590 0.02 . 2 . . . A 13 LYS HG2 . 17606 1 137 . 1 1 13 13 LYS HG3 H 1 1.4720 0.02 . 2 . . . A 13 LYS HG3 . 17606 1 138 . 1 1 13 13 LYS HD2 H 1 1.4720 0.02 . 2 . . . A 13 LYS HD2 . 17606 1 139 . 1 1 13 13 LYS HD3 H 1 1.5790 0.02 . 2 . . . A 13 LYS HD3 . 17606 1 140 . 1 1 13 13 LYS HE2 H 1 2.8830 0.02 . 2 . . . A 13 LYS HE2 . 17606 1 141 . 1 1 13 13 LYS C C 13 174.8530 0.3 . 1 . . . A 13 LYS C . 17606 1 142 . 1 1 13 13 LYS CA C 13 54.9830 0.3 . 1 . . . A 13 LYS CA . 17606 1 143 . 1 1 13 13 LYS CB C 13 35.7870 0.3 . 1 . . . A 13 LYS CB . 17606 1 144 . 1 1 13 13 LYS CG C 13 26.0140 0.3 . 1 . . . A 13 LYS CG . 17606 1 145 . 1 1 13 13 LYS CD C 13 29.5690 0.3 . 1 . . . A 13 LYS CD . 17606 1 146 . 1 1 13 13 LYS CE C 13 42.2580 0.3 . 1 . . . A 13 LYS CE . 17606 1 147 . 1 1 13 13 LYS N N 15 118.4270 0.3 . 1 . . . A 13 LYS N . 17606 1 148 . 1 1 14 14 VAL H H 1 9.1780 0.02 . 1 . . . A 14 VAL H . 17606 1 149 . 1 1 14 14 VAL HA H 1 4.8260 0.02 . 1 . . . A 14 VAL HA . 17606 1 150 . 1 1 14 14 VAL HB H 1 1.9050 0.02 . 1 . . . A 14 VAL HB . 17606 1 151 . 1 1 14 14 VAL HG11 H 1 1.0640 0.02 . 2 . . . A 14 VAL HG11 . 17606 1 152 . 1 1 14 14 VAL HG12 H 1 1.0640 0.02 . 2 . . . A 14 VAL HG12 . 17606 1 153 . 1 1 14 14 VAL HG13 H 1 1.0640 0.02 . 2 . . . A 14 VAL HG13 . 17606 1 154 . 1 1 14 14 VAL HG21 H 1 0.5570 0.02 . 2 . . . A 14 VAL HG21 . 17606 1 155 . 1 1 14 14 VAL HG22 H 1 0.5570 0.02 . 2 . . . A 14 VAL HG22 . 17606 1 156 . 1 1 14 14 VAL HG23 H 1 0.5570 0.02 . 2 . . . A 14 VAL HG23 . 17606 1 157 . 1 1 14 14 VAL C C 13 175.6450 0.3 . 1 . . . A 14 VAL C . 17606 1 158 . 1 1 14 14 VAL CA C 13 60.3910 0.3 . 1 . . . A 14 VAL CA . 17606 1 159 . 1 1 14 14 VAL CB C 13 36.0270 0.3 . 1 . . . A 14 VAL CB . 17606 1 160 . 1 1 14 14 VAL CG1 C 13 21.7950 0.3 . 2 . . . A 14 VAL CG1 . 17606 1 161 . 1 1 14 14 VAL CG2 C 13 23.0860 0.3 . 2 . . . A 14 VAL CG2 . 17606 1 162 . 1 1 14 14 VAL N N 15 120.9130 0.3 . 1 . . . A 14 VAL N . 17606 1 163 . 1 1 15 15 LYS H H 1 9.0100 0.02 . 1 . . . A 15 LYS H . 17606 1 164 . 1 1 15 15 LYS HA H 1 4.5820 0.02 . 1 . . . A 15 LYS HA . 17606 1 165 . 1 1 15 15 LYS HB2 H 1 1.6530 0.02 . 2 . . . A 15 LYS HB2 . 17606 1 166 . 1 1 15 15 LYS HB3 H 1 1.7100 0.02 . 2 . . . A 15 LYS HB3 . 17606 1 167 . 1 1 15 15 LYS HG2 H 1 1.2500 0.02 . 2 . . . A 15 LYS HG2 . 17606 1 168 . 1 1 15 15 LYS HG3 H 1 1.3680 0.02 . 2 . . . A 15 LYS HG3 . 17606 1 169 . 1 1 15 15 LYS C C 13 175.4300 0.3 . 1 . . . A 15 LYS C . 17606 1 170 . 1 1 15 15 LYS CA C 13 56.6910 0.3 . 1 . . . A 15 LYS CA . 17606 1 171 . 1 1 15 15 LYS CB C 13 33.7640 0.3 . 1 . . . A 15 LYS CB . 17606 1 172 . 1 1 15 15 LYS CG C 13 24.3260 0.3 . 1 . . . A 15 LYS CG . 17606 1 173 . 1 1 15 15 LYS N N 15 125.8620 0.3 . 1 . . . A 15 LYS N . 17606 1 174 . 1 1 16 16 TYR H H 1 9.3050 0.02 . 1 . . . A 16 TYR H . 17606 1 175 . 1 1 16 16 TYR HA H 1 4.6380 0.02 . 1 . . . A 16 TYR HA . 17606 1 176 . 1 1 16 16 TYR HB2 H 1 2.9420 0.02 . 2 . . . A 16 TYR HB2 . 17606 1 177 . 1 1 16 16 TYR HB3 H 1 2.7600 0.02 . 2 . . . A 16 TYR HB3 . 17606 1 178 . 1 1 16 16 TYR HD1 H 1 7.0780 0.02 . 1 . . . A 16 TYR HD1 . 17606 1 179 . 1 1 16 16 TYR HD2 H 1 7.0780 0.02 . 1 . . . A 16 TYR HD2 . 17606 1 180 . 1 1 16 16 TYR HE1 H 1 6.8100 0.02 . 1 . . . A 16 TYR HE1 . 17606 1 181 . 1 1 16 16 TYR HE2 H 1 6.8100 0.02 . 1 . . . A 16 TYR HE2 . 17606 1 182 . 1 1 16 16 TYR C C 13 175.0960 0.3 . 1 . . . A 16 TYR C . 17606 1 183 . 1 1 16 16 TYR CA C 13 58.3480 0.3 . 1 . . . A 16 TYR CA . 17606 1 184 . 1 1 16 16 TYR CB C 13 42.4930 0.3 . 1 . . . A 16 TYR CB . 17606 1 185 . 1 1 16 16 TYR CD1 C 13 133.3180 0.3 . 1 . . . A 16 TYR CD1 . 17606 1 186 . 1 1 16 16 TYR CD2 C 13 133.3180 0.3 . 1 . . . A 16 TYR CD2 . 17606 1 187 . 1 1 16 16 TYR CE1 C 13 118.2910 0.3 . 1 . . . A 16 TYR CE1 . 17606 1 188 . 1 1 16 16 TYR CE2 C 13 118.2910 0.3 . 1 . . . A 16 TYR CE2 . 17606 1 189 . 1 1 16 16 TYR N N 15 127.4990 0.3 . 1 . . . A 16 TYR N . 17606 1 190 . 1 1 17 17 GLY H H 1 8.3830 0.02 . 1 . . . A 17 GLY H . 17606 1 191 . 1 1 17 17 GLY HA2 H 1 4.2400 0.02 . 2 . . . A 17 GLY HA2 . 17606 1 192 . 1 1 17 17 GLY HA3 H 1 3.5480 0.02 . 2 . . . A 17 GLY HA3 . 17606 1 193 . 1 1 17 17 GLY C C 13 173.3800 0.3 . 1 . . . A 17 GLY C . 17606 1 194 . 1 1 17 17 GLY CA C 13 44.2160 0.3 . 1 . . . A 17 GLY CA . 17606 1 195 . 1 1 17 17 GLY N N 15 115.5010 0.3 . 1 . . . A 17 GLY N . 17606 1 196 . 1 1 18 18 ARG H H 1 8.3050 0.02 . 1 . . . A 18 ARG H . 17606 1 197 . 1 1 18 18 ARG HA H 1 4.6050 0.02 . 1 . . . A 18 ARG HA . 17606 1 198 . 1 1 18 18 ARG HB2 H 1 1.7940 0.02 . 2 . . . A 18 ARG HB2 . 17606 1 199 . 1 1 18 18 ARG HB3 H 1 1.6460 0.02 . 2 . . . A 18 ARG HB3 . 17606 1 200 . 1 1 18 18 ARG HG2 H 1 1.5040 0.02 . 2 . . . A 18 ARG HG2 . 17606 1 201 . 1 1 18 18 ARG HD2 H 1 3.1240 0.02 . 2 . . . A 18 ARG HD2 . 17606 1 202 . 1 1 18 18 ARG C C 13 175.9410 0.3 . 1 . . . A 18 ARG C . 17606 1 203 . 1 1 18 18 ARG CA C 13 55.3400 0.3 . 1 . . . A 18 ARG CA . 17606 1 204 . 1 1 18 18 ARG CB C 13 33.1860 0.3 . 1 . . . A 18 ARG CB . 17606 1 205 . 1 1 18 18 ARG CG C 13 26.8010 0.3 . 1 . . . A 18 ARG CG . 17606 1 206 . 1 1 18 18 ARG CD C 13 43.3070 0.3 . 1 . . . A 18 ARG CD . 17606 1 207 . 1 1 18 18 ARG N N 15 117.8470 0.3 . 1 . . . A 18 ARG N . 17606 1 208 . 1 1 19 19 GLY H H 1 8.8570 0.02 . 1 . . . A 19 GLY H . 17606 1 209 . 1 1 19 19 GLY HA2 H 1 3.8000 0.02 . 2 . . . A 19 GLY HA2 . 17606 1 210 . 1 1 19 19 GLY HA3 H 1 4.0140 0.02 . 2 . . . A 19 GLY HA3 . 17606 1 211 . 1 1 19 19 GLY C C 13 176.2270 0.3 . 1 . . . A 19 GLY C . 17606 1 212 . 1 1 19 19 GLY CA C 13 45.8900 0.3 . 1 . . . A 19 GLY CA . 17606 1 213 . 1 1 19 19 GLY N N 15 110.5720 0.3 . 1 . . . A 19 GLY N . 17606 1 214 . 1 1 20 20 LYS H H 1 6.7230 0.02 . 1 . . . A 20 LYS H . 17606 1 215 . 1 1 20 20 LYS HA H 1 4.1840 0.02 . 1 . . . A 20 LYS HA . 17606 1 216 . 1 1 20 20 LYS HB2 H 1 1.9220 0.02 . 2 . . . A 20 LYS HB2 . 17606 1 217 . 1 1 20 20 LYS HG2 H 1 1.5470 0.02 . 2 . . . A 20 LYS HG2 . 17606 1 218 . 1 1 20 20 LYS HD2 H 1 1.7080 0.02 . 2 . . . A 20 LYS HD2 . 17606 1 219 . 1 1 20 20 LYS HE2 H 1 3.0170 0.02 . 2 . . . A 20 LYS HE2 . 17606 1 220 . 1 1 20 20 LYS C C 13 177.6940 0.3 . 1 . . . A 20 LYS C . 17606 1 221 . 1 1 20 20 LYS CA C 13 58.3790 0.3 . 1 . . . A 20 LYS CA . 17606 1 222 . 1 1 20 20 LYS CB C 13 32.4930 0.3 . 1 . . . A 20 LYS CB . 17606 1 223 . 1 1 20 20 LYS CG C 13 24.8510 0.3 . 1 . . . A 20 LYS CG . 17606 1 224 . 1 1 20 20 LYS CD C 13 29.0450 0.3 . 1 . . . A 20 LYS CD . 17606 1 225 . 1 1 20 20 LYS CE C 13 42.1530 0.3 . 1 . . . A 20 LYS CE . 17606 1 226 . 1 1 21 21 THR H H 1 7.8390 0.02 . 1 . . . A 21 THR H . 17606 1 227 . 1 1 21 21 THR HA H 1 4.4370 0.02 . 1 . . . A 21 THR HA . 17606 1 228 . 1 1 21 21 THR HB H 1 4.5290 0.02 . 1 . . . A 21 THR HB . 17606 1 229 . 1 1 21 21 THR HG21 H 1 1.2140 0.02 . 1 . . . A 21 THR HG21 . 17606 1 230 . 1 1 21 21 THR HG22 H 1 1.2140 0.02 . 1 . . . A 21 THR HG22 . 17606 1 231 . 1 1 21 21 THR HG23 H 1 1.2140 0.02 . 1 . . . A 21 THR HG23 . 17606 1 232 . 1 1 21 21 THR C C 13 173.9990 0.3 . 1 . . . A 21 THR C . 17606 1 233 . 1 1 21 21 THR CA C 13 60.8950 0.3 . 1 . . . A 21 THR CA . 17606 1 234 . 1 1 21 21 THR CB C 13 68.9070 0.3 . 1 . . . A 21 THR CB . 17606 1 235 . 1 1 21 21 THR CG2 C 13 21.9050 0.3 . 1 . . . A 21 THR CG2 . 17606 1 236 . 1 1 21 21 THR N N 15 108.3290 0.3 . 1 . . . A 21 THR N . 17606 1 237 . 1 1 22 22 GLN H H 1 7.5030 0.02 . 1 . . . A 22 GLN H . 17606 1 238 . 1 1 22 22 GLN HA H 1 4.4300 0.02 . 1 . . . A 22 GLN HA . 17606 1 239 . 1 1 22 22 GLN HB2 H 1 1.7450 0.02 . 2 . . . A 22 GLN HB2 . 17606 1 240 . 1 1 22 22 GLN HB3 H 1 1.9430 0.02 . 2 . . . A 22 GLN HB3 . 17606 1 241 . 1 1 22 22 GLN HG2 H 1 1.9990 0.02 . 2 . . . A 22 GLN HG2 . 17606 1 242 . 1 1 22 22 GLN HG3 H 1 2.0720 0.02 . 2 . . . A 22 GLN HG3 . 17606 1 243 . 1 1 22 22 GLN HE21 H 1 7.4880 0.02 . 2 . . . A 22 GLN HE21 . 17606 1 244 . 1 1 22 22 GLN HE22 H 1 7.0490 0.02 . 2 . . . A 22 GLN HE22 . 17606 1 245 . 1 1 22 22 GLN C C 13 175.1900 0.3 . 1 . . . A 22 GLN C . 17606 1 246 . 1 1 22 22 GLN CA C 13 56.7950 0.3 . 1 . . . A 22 GLN CA . 17606 1 247 . 1 1 22 22 GLN CB C 13 31.0310 0.3 . 1 . . . A 22 GLN CB . 17606 1 248 . 1 1 22 22 GLN CG C 13 34.7080 0.3 . 1 . . . A 22 GLN CG . 17606 1 249 . 1 1 22 22 GLN N N 15 123.1260 0.3 . 1 . . . A 22 GLN N . 17606 1 250 . 1 1 22 22 GLN NE2 N 15 111.5210 0.3 . 1 . . . A 22 GLN NE2 . 17606 1 251 . 1 1 23 23 LYS H H 1 8.9370 0.02 . 1 . . . A 23 LYS H . 17606 1 252 . 1 1 23 23 LYS HA H 1 4.5370 0.02 . 1 . . . A 23 LYS HA . 17606 1 253 . 1 1 23 23 LYS HB2 H 1 1.5000 0.02 . 2 . . . A 23 LYS HB2 . 17606 1 254 . 1 1 23 23 LYS HB3 H 1 1.3940 0.02 . 2 . . . A 23 LYS HB3 . 17606 1 255 . 1 1 23 23 LYS HG2 H 1 1.3810 0.02 . 2 . . . A 23 LYS HG2 . 17606 1 256 . 1 1 23 23 LYS HG3 H 1 1.4520 0.02 . 2 . . . A 23 LYS HG3 . 17606 1 257 . 1 1 23 23 LYS HD2 H 1 1.6410 0.02 . 2 . . . A 23 LYS HD2 . 17606 1 258 . 1 1 23 23 LYS HD3 H 1 1.6850 0.02 . 2 . . . A 23 LYS HD3 . 17606 1 259 . 1 1 23 23 LYS HE2 H 1 2.9520 0.02 . 2 . . . A 23 LYS HE2 . 17606 1 260 . 1 1 23 23 LYS C C 13 174.0870 0.3 . 1 . . . A 23 LYS C . 17606 1 261 . 1 1 23 23 LYS CA C 13 54.4440 0.3 . 1 . . . A 23 LYS CA . 17606 1 262 . 1 1 23 23 LYS CB C 13 36.4950 0.3 . 1 . . . A 23 LYS CB . 17606 1 263 . 1 1 23 23 LYS CG C 13 24.6410 0.3 . 1 . . . A 23 LYS CG . 17606 1 264 . 1 1 23 23 LYS CD C 13 28.7750 0.3 . 1 . . . A 23 LYS CD . 17606 1 265 . 1 1 23 23 LYS CE C 13 42.2580 0.3 . 1 . . . A 23 LYS CE . 17606 1 266 . 1 1 23 23 LYS N N 15 126.7630 0.3 . 1 . . . A 23 LYS N . 17606 1 267 . 1 1 24 24 ILE H H 1 7.9800 0.02 . 1 . . . A 24 ILE H . 17606 1 268 . 1 1 24 24 ILE HA H 1 4.7500 0.02 . 1 . . . A 24 ILE HA . 17606 1 269 . 1 1 24 24 ILE HB H 1 1.5930 0.02 . 1 . . . A 24 ILE HB . 17606 1 270 . 1 1 24 24 ILE HG12 H 1 1.4270 0.02 . 2 . . . A 24 ILE HG12 . 17606 1 271 . 1 1 24 24 ILE HG13 H 1 0.9080 0.02 . 2 . . . A 24 ILE HG13 . 17606 1 272 . 1 1 24 24 ILE HG21 H 1 0.7080 0.02 . 1 . . . A 24 ILE HG21 . 17606 1 273 . 1 1 24 24 ILE HG22 H 1 0.7080 0.02 . 1 . . . A 24 ILE HG22 . 17606 1 274 . 1 1 24 24 ILE HG23 H 1 0.7080 0.02 . 1 . . . A 24 ILE HG23 . 17606 1 275 . 1 1 24 24 ILE HD11 H 1 0.7210 0.02 . 1 . . . A 24 ILE HD11 . 17606 1 276 . 1 1 24 24 ILE HD12 H 1 0.7210 0.02 . 1 . . . A 24 ILE HD12 . 17606 1 277 . 1 1 24 24 ILE HD13 H 1 0.7210 0.02 . 1 . . . A 24 ILE HD13 . 17606 1 278 . 1 1 24 24 ILE C C 13 175.7720 0.3 . 1 . . . A 24 ILE C . 17606 1 279 . 1 1 24 24 ILE CA C 13 59.9200 0.3 . 1 . . . A 24 ILE CA . 17606 1 280 . 1 1 24 24 ILE CB C 13 39.2540 0.3 . 1 . . . A 24 ILE CB . 17606 1 281 . 1 1 24 24 ILE CG1 C 13 27.6020 0.3 . 1 . . . A 24 ILE CG1 . 17606 1 282 . 1 1 24 24 ILE CG2 C 13 19.2930 0.3 . 1 . . . A 24 ILE CG2 . 17606 1 283 . 1 1 24 24 ILE CD1 C 13 12.6860 0.3 . 1 . . . A 24 ILE CD1 . 17606 1 284 . 1 1 24 24 ILE N N 15 120.2870 0.3 . 1 . . . A 24 ILE N . 17606 1 285 . 1 1 25 25 TYR H H 1 8.8850 0.02 . 1 . . . A 25 TYR H . 17606 1 286 . 1 1 25 25 TYR HA H 1 5.0710 0.02 . 1 . . . A 25 TYR HA . 17606 1 287 . 1 1 25 25 TYR HB2 H 1 3.2430 0.02 . 2 . . . A 25 TYR HB2 . 17606 1 288 . 1 1 25 25 TYR HB3 H 1 2.5060 0.02 . 2 . . . A 25 TYR HB3 . 17606 1 289 . 1 1 25 25 TYR HD1 H 1 6.8800 0.02 . 1 . . . A 25 TYR HD1 . 17606 1 290 . 1 1 25 25 TYR HD2 H 1 6.8800 0.02 . 1 . . . A 25 TYR HD2 . 17606 1 291 . 1 1 25 25 TYR HE1 H 1 6.3890 0.02 . 1 . . . A 25 TYR HE1 . 17606 1 292 . 1 1 25 25 TYR HE2 H 1 6.3890 0.02 . 1 . . . A 25 TYR HE2 . 17606 1 293 . 1 1 25 25 TYR C C 13 175.8590 0.3 . 1 . . . A 25 TYR C . 17606 1 294 . 1 1 25 25 TYR CA C 13 55.8600 0.3 . 1 . . . A 25 TYR CA . 17606 1 295 . 1 1 25 25 TYR CB C 13 42.4670 0.3 . 1 . . . A 25 TYR CB . 17606 1 296 . 1 1 25 25 TYR CD1 C 13 132.6340 0.3 . 1 . . . A 25 TYR CD1 . 17606 1 297 . 1 1 25 25 TYR CD2 C 13 132.6340 0.3 . 1 . . . A 25 TYR CD2 . 17606 1 298 . 1 1 25 25 TYR CE1 C 13 117.6790 0.3 . 1 . . . A 25 TYR CE1 . 17606 1 299 . 1 1 25 25 TYR CE2 C 13 117.6790 0.3 . 1 . . . A 25 TYR CE2 . 17606 1 300 . 1 1 25 25 TYR N N 15 126.0200 0.3 . 1 . . . A 25 TYR N . 17606 1 301 . 1 1 26 26 GLU H H 1 8.9150 0.02 . 1 . . . A 26 GLU H . 17606 1 302 . 1 1 26 26 GLU HA H 1 4.6420 0.02 . 1 . . . A 26 GLU HA . 17606 1 303 . 1 1 26 26 GLU HB2 H 1 2.0300 0.02 . 2 . . . A 26 GLU HB2 . 17606 1 304 . 1 1 26 26 GLU HG2 H 1 2.2120 0.02 . 2 . . . A 26 GLU HG2 . 17606 1 305 . 1 1 26 26 GLU HG3 H 1 2.4050 0.02 . 2 . . . A 26 GLU HG3 . 17606 1 306 . 1 1 26 26 GLU C C 13 176.0010 0.3 . 1 . . . A 26 GLU C . 17606 1 307 . 1 1 26 26 GLU CA C 13 57.1280 0.3 . 1 . . . A 26 GLU CA . 17606 1 308 . 1 1 26 26 GLU CB C 13 30.7230 0.3 . 1 . . . A 26 GLU CB . 17606 1 309 . 1 1 26 26 GLU CG C 13 37.3290 0.3 . 1 . . . A 26 GLU CG . 17606 1 310 . 1 1 26 26 GLU N N 15 121.1860 0.3 . 1 . . . A 26 GLU N . 17606 1 311 . 1 1 27 27 ALA H H 1 8.8340 0.02 . 1 . . . A 27 ALA H . 17606 1 312 . 1 1 27 27 ALA HA H 1 4.9700 0.02 . 1 . . . A 27 ALA HA . 17606 1 313 . 1 1 27 27 ALA HB1 H 1 0.7480 0.02 . 1 . . . A 27 ALA HB1 . 17606 1 314 . 1 1 27 27 ALA HB2 H 1 0.7480 0.02 . 1 . . . A 27 ALA HB2 . 17606 1 315 . 1 1 27 27 ALA HB3 H 1 0.7480 0.02 . 1 . . . A 27 ALA HB3 . 17606 1 316 . 1 1 27 27 ALA C C 13 175.1780 0.3 . 1 . . . A 27 ALA C . 17606 1 317 . 1 1 27 27 ALA CA C 13 51.3150 0.3 . 1 . . . A 27 ALA CA . 17606 1 318 . 1 1 27 27 ALA CB C 13 24.6550 0.3 . 1 . . . A 27 ALA CB . 17606 1 319 . 1 1 27 27 ALA N N 15 125.2810 0.3 . 1 . . . A 27 ALA N . 17606 1 320 . 1 1 28 28 SER H H 1 8.5290 0.02 . 1 . . . A 28 SER H . 17606 1 321 . 1 1 28 28 SER HA H 1 5.3280 0.02 . 1 . . . A 28 SER HA . 17606 1 322 . 1 1 28 28 SER HB2 H 1 3.7140 0.02 . 2 . . . A 28 SER HB2 . 17606 1 323 . 1 1 28 28 SER HB3 H 1 3.6250 0.02 . 2 . . . A 28 SER HB3 . 17606 1 324 . 1 1 28 28 SER C C 13 174.4040 0.3 . 1 . . . A 28 SER C . 17606 1 325 . 1 1 28 28 SER CA C 13 56.1330 0.3 . 1 . . . A 28 SER CA . 17606 1 326 . 1 1 28 28 SER CB C 13 66.0750 0.3 . 1 . . . A 28 SER CB . 17606 1 327 . 1 1 28 28 SER N N 15 112.1330 0.3 . 1 . . . A 28 SER N . 17606 1 328 . 1 1 29 29 ILE H H 1 8.4310 0.02 . 1 . . . A 29 ILE H . 17606 1 329 . 1 1 29 29 ILE HA H 1 4.1420 0.02 . 1 . . . A 29 ILE HA . 17606 1 330 . 1 1 29 29 ILE HB H 1 1.9650 0.02 . 1 . . . A 29 ILE HB . 17606 1 331 . 1 1 29 29 ILE HG12 H 1 1.4670 0.02 . 2 . . . A 29 ILE HG12 . 17606 1 332 . 1 1 29 29 ILE HG13 H 1 0.8710 0.02 . 2 . . . A 29 ILE HG13 . 17606 1 333 . 1 1 29 29 ILE HG21 H 1 0.9570 0.02 . 1 . . . A 29 ILE HG21 . 17606 1 334 . 1 1 29 29 ILE HG22 H 1 0.9570 0.02 . 1 . . . A 29 ILE HG22 . 17606 1 335 . 1 1 29 29 ILE HG23 H 1 0.9570 0.02 . 1 . . . A 29 ILE HG23 . 17606 1 336 . 1 1 29 29 ILE HD11 H 1 0.5600 0.02 . 1 . . . A 29 ILE HD11 . 17606 1 337 . 1 1 29 29 ILE HD12 H 1 0.5600 0.02 . 1 . . . A 29 ILE HD12 . 17606 1 338 . 1 1 29 29 ILE HD13 H 1 0.5600 0.02 . 1 . . . A 29 ILE HD13 . 17606 1 339 . 1 1 29 29 ILE C C 13 176.4730 0.3 . 1 . . . A 29 ILE C . 17606 1 340 . 1 1 29 29 ILE CA C 13 61.5610 0.3 . 1 . . . A 29 ILE CA . 17606 1 341 . 1 1 29 29 ILE CB C 13 38.0240 0.3 . 1 . . . A 29 ILE CB . 17606 1 342 . 1 1 29 29 ILE CG1 C 13 27.9070 0.3 . 1 . . . A 29 ILE CG1 . 17606 1 343 . 1 1 29 29 ILE CG2 C 13 18.3000 0.3 . 1 . . . A 29 ILE CG2 . 17606 1 344 . 1 1 29 29 ILE CD1 C 13 13.2110 0.3 . 1 . . . A 29 ILE CD1 . 17606 1 345 . 1 1 29 29 ILE N N 15 122.0440 0.3 . 1 . . . A 29 ILE N . 17606 1 346 . 1 1 30 30 LYS H H 1 9.6870 0.02 . 1 . . . A 30 LYS H . 17606 1 347 . 1 1 30 30 LYS HA H 1 4.4100 0.02 . 1 . . . A 30 LYS HA . 17606 1 348 . 1 1 30 30 LYS HB2 H 1 1.6610 0.02 . 2 . . . A 30 LYS HB2 . 17606 1 349 . 1 1 30 30 LYS HB3 H 1 1.3220 0.02 . 2 . . . A 30 LYS HB3 . 17606 1 350 . 1 1 30 30 LYS HG2 H 1 1.2780 0.02 . 2 . . . A 30 LYS HG2 . 17606 1 351 . 1 1 30 30 LYS HG3 H 1 1.2390 0.02 . 2 . . . A 30 LYS HG3 . 17606 1 352 . 1 1 30 30 LYS HD2 H 1 1.4570 0.02 . 2 . . . A 30 LYS HD2 . 17606 1 353 . 1 1 30 30 LYS HD3 H 1 1.4040 0.02 . 2 . . . A 30 LYS HD3 . 17606 1 354 . 1 1 30 30 LYS HE2 H 1 2.7350 0.02 . 2 . . . A 30 LYS HE2 . 17606 1 355 . 1 1 30 30 LYS C C 13 176.5590 0.3 . 1 . . . A 30 LYS C . 17606 1 356 . 1 1 30 30 LYS CA C 13 57.0090 0.3 . 1 . . . A 30 LYS CA . 17606 1 357 . 1 1 30 30 LYS CB C 13 33.8810 0.3 . 1 . . . A 30 LYS CB . 17606 1 358 . 1 1 30 30 LYS CG C 13 24.2210 0.3 . 1 . . . A 30 LYS CG . 17606 1 359 . 1 1 30 30 LYS CD C 13 28.4160 0.3 . 1 . . . A 30 LYS CD . 17606 1 360 . 1 1 30 30 LYS CE C 13 41.5240 0.3 . 1 . . . A 30 LYS CE . 17606 1 361 . 1 1 30 30 LYS N N 15 128.7950 0.3 . 1 . . . A 30 LYS N . 17606 1 362 . 1 1 31 31 SER H H 1 7.5370 0.02 . 1 . . . A 31 SER H . 17606 1 363 . 1 1 31 31 SER HA H 1 4.6710 0.02 . 1 . . . A 31 SER HA . 17606 1 364 . 1 1 31 31 SER HB2 H 1 3.8300 0.02 . 2 . . . A 31 SER HB2 . 17606 1 365 . 1 1 31 31 SER HB3 H 1 3.6770 0.02 . 2 . . . A 31 SER HB3 . 17606 1 366 . 1 1 31 31 SER C C 13 172.4570 0.3 . 1 . . . A 31 SER C . 17606 1 367 . 1 1 31 31 SER CA C 13 57.3530 0.3 . 1 . . . A 31 SER CA . 17606 1 368 . 1 1 31 31 SER CB C 13 64.8240 0.3 . 1 . . . A 31 SER CB . 17606 1 369 . 1 1 31 31 SER N N 15 111.0440 0.3 . 1 . . . A 31 SER N . 17606 1 370 . 1 1 32 32 THR H H 1 8.2370 0.02 . 1 . . . A 32 THR H . 17606 1 371 . 1 1 32 32 THR HA H 1 5.5640 0.02 . 1 . . . A 32 THR HA . 17606 1 372 . 1 1 32 32 THR HB H 1 4.0060 0.02 . 1 . . . A 32 THR HB . 17606 1 373 . 1 1 32 32 THR HG21 H 1 1.1360 0.02 . 1 . . . A 32 THR HG21 . 17606 1 374 . 1 1 32 32 THR HG22 H 1 1.1360 0.02 . 1 . . . A 32 THR HG22 . 17606 1 375 . 1 1 32 32 THR HG23 H 1 1.1360 0.02 . 1 . . . A 32 THR HG23 . 17606 1 376 . 1 1 32 32 THR C C 13 173.0030 0.3 . 1 . . . A 32 THR C . 17606 1 377 . 1 1 32 32 THR CA C 13 60.5890 0.3 . 1 . . . A 32 THR CA . 17606 1 378 . 1 1 32 32 THR CB C 13 72.2170 0.3 . 1 . . . A 32 THR CB . 17606 1 379 . 1 1 32 32 THR CG2 C 13 21.9140 0.3 . 1 . . . A 32 THR CG2 . 17606 1 380 . 1 1 32 32 THR N N 15 113.9110 0.3 . 1 . . . A 32 THR N . 17606 1 381 . 1 1 33 33 GLU H H 1 8.9700 0.02 . 1 . . . A 33 GLU H . 17606 1 382 . 1 1 33 33 GLU HA H 1 4.6280 0.02 . 1 . . . A 33 GLU HA . 17606 1 383 . 1 1 33 33 GLU HB2 H 1 1.6910 0.02 . 2 . . . A 33 GLU HB2 . 17606 1 384 . 1 1 33 33 GLU HG2 H 1 2.0480 0.02 . 2 . . . A 33 GLU HG2 . 17606 1 385 . 1 1 33 33 GLU HG3 H 1 1.9840 0.02 . 2 . . . A 33 GLU HG3 . 17606 1 386 . 1 1 33 33 GLU C C 13 173.4870 0.3 . 1 . . . A 33 GLU C . 17606 1 387 . 1 1 33 33 GLU CA C 13 55.4560 0.3 . 1 . . . A 33 GLU CA . 17606 1 388 . 1 1 33 33 GLU CB C 13 34.0990 0.3 . 1 . . . A 33 GLU CB . 17606 1 389 . 1 1 33 33 GLU CG C 13 35.9660 0.3 . 1 . . . A 33 GLU CG . 17606 1 390 . 1 1 33 33 GLU N N 15 123.5140 0.3 . 1 . . . A 33 GLU N . 17606 1 391 . 1 1 34 34 ILE H H 1 8.5050 0.02 . 1 . . . A 34 ILE H . 17606 1 392 . 1 1 34 34 ILE HA H 1 4.7350 0.02 . 1 . . . A 34 ILE HA . 17606 1 393 . 1 1 34 34 ILE HB H 1 1.6760 0.02 . 1 . . . A 34 ILE HB . 17606 1 394 . 1 1 34 34 ILE HG12 H 1 1.4370 0.02 . 2 . . . A 34 ILE HG12 . 17606 1 395 . 1 1 34 34 ILE HG13 H 1 0.9940 0.02 . 2 . . . A 34 ILE HG13 . 17606 1 396 . 1 1 34 34 ILE HG21 H 1 0.7070 0.02 . 1 . . . A 34 ILE HG21 . 17606 1 397 . 1 1 34 34 ILE HG22 H 1 0.7070 0.02 . 1 . . . A 34 ILE HG22 . 17606 1 398 . 1 1 34 34 ILE HG23 H 1 0.7070 0.02 . 1 . . . A 34 ILE HG23 . 17606 1 399 . 1 1 34 34 ILE HD11 H 1 0.7610 0.02 . 1 . . . A 34 ILE HD11 . 17606 1 400 . 1 1 34 34 ILE HD12 H 1 0.7610 0.02 . 1 . . . A 34 ILE HD12 . 17606 1 401 . 1 1 34 34 ILE HD13 H 1 0.7610 0.02 . 1 . . . A 34 ILE HD13 . 17606 1 402 . 1 1 34 34 ILE C C 13 175.6200 0.3 . 1 . . . A 34 ILE C . 17606 1 403 . 1 1 34 34 ILE CA C 13 60.0470 0.3 . 1 . . . A 34 ILE CA . 17606 1 404 . 1 1 34 34 ILE CB C 13 38.6570 0.3 . 1 . . . A 34 ILE CB . 17606 1 405 . 1 1 34 34 ILE CG1 C 13 27.8640 0.3 . 1 . . . A 34 ILE CG1 . 17606 1 406 . 1 1 34 34 ILE CG2 C 13 17.3000 0.3 . 1 . . . A 34 ILE CG2 . 17606 1 407 . 1 1 34 34 ILE CD1 C 13 12.8960 0.3 . 1 . . . A 34 ILE CD1 . 17606 1 408 . 1 1 34 34 ILE N N 15 122.0950 0.3 . 1 . . . A 34 ILE N . 17606 1 409 . 1 1 35 35 ASP H H 1 8.9480 0.02 . 1 . . . A 35 ASP H . 17606 1 410 . 1 1 35 35 ASP HA H 1 4.7730 0.02 . 1 . . . A 35 ASP HA . 17606 1 411 . 1 1 35 35 ASP HB2 H 1 2.2480 0.02 . 2 . . . A 35 ASP HB2 . 17606 1 412 . 1 1 35 35 ASP HB3 H 1 2.5730 0.02 . 2 . . . A 35 ASP HB3 . 17606 1 413 . 1 1 35 35 ASP C C 13 175.8040 0.3 . 1 . . . A 35 ASP C . 17606 1 414 . 1 1 35 35 ASP CA C 13 53.2350 0.3 . 1 . . . A 35 ASP CA . 17606 1 415 . 1 1 35 35 ASP CB C 13 43.4190 0.3 . 1 . . . A 35 ASP CB . 17606 1 416 . 1 1 35 35 ASP N N 15 127.8400 0.3 . 1 . . . A 35 ASP N . 17606 1 417 . 1 1 36 36 ASP H H 1 9.0650 0.02 . 1 . . . A 36 ASP H . 17606 1 418 . 1 1 36 36 ASP HA H 1 4.2630 0.02 . 1 . . . A 36 ASP HA . 17606 1 419 . 1 1 36 36 ASP HB2 H 1 3.0230 0.02 . 2 . . . A 36 ASP HB2 . 17606 1 420 . 1 1 36 36 ASP HB3 H 1 2.3840 0.02 . 2 . . . A 36 ASP HB3 . 17606 1 421 . 1 1 36 36 ASP C C 13 175.9930 0.3 . 1 . . . A 36 ASP C . 17606 1 422 . 1 1 36 36 ASP CA C 13 55.1200 0.3 . 1 . . . A 36 ASP CA . 17606 1 423 . 1 1 36 36 ASP CB C 13 39.6590 0.3 . 1 . . . A 36 ASP CB . 17606 1 424 . 1 1 36 36 ASP N N 15 127.3150 0.3 . 1 . . . A 36 ASP N . 17606 1 425 . 1 1 37 37 GLY H H 1 8.0450 0.02 . 1 . . . A 37 GLY H . 17606 1 426 . 1 1 37 37 GLY HA2 H 1 4.1560 0.02 . 2 . . . A 37 GLY HA2 . 17606 1 427 . 1 1 37 37 GLY HA3 H 1 3.5330 0.02 . 2 . . . A 37 GLY HA3 . 17606 1 428 . 1 1 37 37 GLY C C 13 173.5410 0.3 . 1 . . . A 37 GLY C . 17606 1 429 . 1 1 37 37 GLY CA C 13 45.4710 0.3 . 1 . . . A 37 GLY CA . 17606 1 430 . 1 1 37 37 GLY N N 15 103.1120 0.3 . 1 . . . A 37 GLY N . 17606 1 431 . 1 1 38 38 GLU H H 1 7.7690 0.02 . 1 . . . A 38 GLU H . 17606 1 432 . 1 1 38 38 GLU HA H 1 4.6510 0.02 . 1 . . . A 38 GLU HA . 17606 1 433 . 1 1 38 38 GLU HB2 H 1 2.0780 0.02 . 2 . . . A 38 GLU HB2 . 17606 1 434 . 1 1 38 38 GLU HB3 H 1 2.0180 0.02 . 2 . . . A 38 GLU HB3 . 17606 1 435 . 1 1 38 38 GLU HG2 H 1 2.2630 0.02 . 2 . . . A 38 GLU HG2 . 17606 1 436 . 1 1 38 38 GLU C C 13 174.2460 0.3 . 1 . . . A 38 GLU C . 17606 1 437 . 1 1 38 38 GLU CA C 13 54.7190 0.3 . 1 . . . A 38 GLU CA . 17606 1 438 . 1 1 38 38 GLU CB C 13 32.2050 0.3 . 1 . . . A 38 GLU CB . 17606 1 439 . 1 1 38 38 GLU CG C 13 36.0710 0.3 . 1 . . . A 38 GLU CG . 17606 1 440 . 1 1 38 38 GLU N N 15 121.1720 0.3 . 1 . . . A 38 GLU N . 17606 1 441 . 1 1 39 39 VAL H H 1 8.4550 0.02 . 1 . . . A 39 VAL H . 17606 1 442 . 1 1 39 39 VAL HA H 1 4.2100 0.02 . 1 . . . A 39 VAL HA . 17606 1 443 . 1 1 39 39 VAL HB H 1 1.9350 0.02 . 1 . . . A 39 VAL HB . 17606 1 444 . 1 1 39 39 VAL HG11 H 1 0.8790 0.02 . 2 . . . A 39 VAL HG11 . 17606 1 445 . 1 1 39 39 VAL HG12 H 1 0.8790 0.02 . 2 . . . A 39 VAL HG12 . 17606 1 446 . 1 1 39 39 VAL HG13 H 1 0.8790 0.02 . 2 . . . A 39 VAL HG13 . 17606 1 447 . 1 1 39 39 VAL HG21 H 1 0.5030 0.02 . 2 . . . A 39 VAL HG21 . 17606 1 448 . 1 1 39 39 VAL HG22 H 1 0.5030 0.02 . 2 . . . A 39 VAL HG22 . 17606 1 449 . 1 1 39 39 VAL HG23 H 1 0.5030 0.02 . 2 . . . A 39 VAL HG23 . 17606 1 450 . 1 1 39 39 VAL C C 13 174.5460 0.3 . 1 . . . A 39 VAL C . 17606 1 451 . 1 1 39 39 VAL CA C 13 63.0410 0.3 . 1 . . . A 39 VAL CA . 17606 1 452 . 1 1 39 39 VAL CB C 13 32.2690 0.3 . 1 . . . A 39 VAL CB . 17606 1 453 . 1 1 39 39 VAL CG1 C 13 21.7540 0.3 . 2 . . . A 39 VAL CG1 . 17606 1 454 . 1 1 39 39 VAL CG2 C 13 21.4950 0.3 . 2 . . . A 39 VAL CG2 . 17606 1 455 . 1 1 39 39 VAL N N 15 123.9830 0.3 . 1 . . . A 39 VAL N . 17606 1 456 . 1 1 40 40 LEU H H 1 8.9470 0.02 . 1 . . . A 40 LEU H . 17606 1 457 . 1 1 40 40 LEU HA H 1 5.0920 0.02 . 1 . . . A 40 LEU HA . 17606 1 458 . 1 1 40 40 LEU HB2 H 1 1.5930 0.02 . 2 . . . A 40 LEU HB2 . 17606 1 459 . 1 1 40 40 LEU HB3 H 1 1.6580 0.02 . 2 . . . A 40 LEU HB3 . 17606 1 460 . 1 1 40 40 LEU HG H 1 1.6300 0.02 . 1 . . . A 40 LEU HG . 17606 1 461 . 1 1 40 40 LEU HD11 H 1 0.7070 0.02 . 2 . . . A 40 LEU HD11 . 17606 1 462 . 1 1 40 40 LEU HD12 H 1 0.7070 0.02 . 2 . . . A 40 LEU HD12 . 17606 1 463 . 1 1 40 40 LEU HD13 H 1 0.7070 0.02 . 2 . . . A 40 LEU HD13 . 17606 1 464 . 1 1 40 40 LEU HD21 H 1 0.8040 0.02 . 2 . . . A 40 LEU HD21 . 17606 1 465 . 1 1 40 40 LEU HD22 H 1 0.8040 0.02 . 2 . . . A 40 LEU HD22 . 17606 1 466 . 1 1 40 40 LEU HD23 H 1 0.8040 0.02 . 2 . . . A 40 LEU HD23 . 17606 1 467 . 1 1 40 40 LEU C C 13 175.8190 0.3 . 1 . . . A 40 LEU C . 17606 1 468 . 1 1 40 40 LEU CA C 13 53.2530 0.3 . 1 . . . A 40 LEU CA . 17606 1 469 . 1 1 40 40 LEU CB C 13 46.4900 0.3 . 1 . . . A 40 LEU CB . 17606 1 470 . 1 1 40 40 LEU CG C 13 27.4720 0.3 . 1 . . . A 40 LEU CG . 17606 1 471 . 1 1 40 40 LEU CD1 C 13 25.7940 0.3 . 2 . . . A 40 LEU CD1 . 17606 1 472 . 1 1 40 40 LEU CD2 C 13 24.5360 0.3 . 2 . . . A 40 LEU CD2 . 17606 1 473 . 1 1 40 40 LEU N N 15 127.1050 0.3 . 1 . . . A 40 LEU N . 17606 1 474 . 1 1 41 41 TYR H H 1 9.3370 0.02 . 1 . . . A 41 TYR H . 17606 1 475 . 1 1 41 41 TYR HA H 1 5.1070 0.02 . 1 . . . A 41 TYR HA . 17606 1 476 . 1 1 41 41 TYR HB2 H 1 2.7080 0.02 . 2 . . . A 41 TYR HB2 . 17606 1 477 . 1 1 41 41 TYR HB3 H 1 2.6050 0.02 . 2 . . . A 41 TYR HB3 . 17606 1 478 . 1 1 41 41 TYR HD1 H 1 7.1260 0.02 . 1 . . . A 41 TYR HD1 . 17606 1 479 . 1 1 41 41 TYR HD2 H 1 7.1260 0.02 . 1 . . . A 41 TYR HD2 . 17606 1 480 . 1 1 41 41 TYR HE1 H 1 6.9150 0.02 . 1 . . . A 41 TYR HE1 . 17606 1 481 . 1 1 41 41 TYR HE2 H 1 6.9150 0.02 . 1 . . . A 41 TYR HE2 . 17606 1 482 . 1 1 41 41 TYR C C 13 173.9680 0.3 . 1 . . . A 41 TYR C . 17606 1 483 . 1 1 41 41 TYR CA C 13 56.8560 0.3 . 1 . . . A 41 TYR CA . 17606 1 484 . 1 1 41 41 TYR CB C 13 41.1420 0.3 . 1 . . . A 41 TYR CB . 17606 1 485 . 1 1 41 41 TYR CD1 C 13 133.7220 0.3 . 1 . . . A 41 TYR CD1 . 17606 1 486 . 1 1 41 41 TYR CD2 C 13 133.7220 0.3 . 1 . . . A 41 TYR CD2 . 17606 1 487 . 1 1 41 41 TYR CE1 C 13 117.7230 0.3 . 1 . . . A 41 TYR CE1 . 17606 1 488 . 1 1 41 41 TYR CE2 C 13 117.7230 0.3 . 1 . . . A 41 TYR CE2 . 17606 1 489 . 1 1 41 41 TYR N N 15 119.0210 0.3 . 1 . . . A 41 TYR N . 17606 1 490 . 1 1 42 42 LEU H H 1 8.3040 0.02 . 1 . . . A 42 LEU H . 17606 1 491 . 1 1 42 42 LEU HA H 1 3.9730 0.02 . 1 . . . A 42 LEU HA . 17606 1 492 . 1 1 42 42 LEU HB2 H 1 0.8230 0.02 . 2 . . . A 42 LEU HB2 . 17606 1 493 . 1 1 42 42 LEU HG H 1 0.6000 0.02 . 1 . . . A 42 LEU HG . 17606 1 494 . 1 1 42 42 LEU HD11 H 1 0.4170 0.02 . 2 . . . A 42 LEU HD11 . 17606 1 495 . 1 1 42 42 LEU HD12 H 1 0.4170 0.02 . 2 . . . A 42 LEU HD12 . 17606 1 496 . 1 1 42 42 LEU HD13 H 1 0.4170 0.02 . 2 . . . A 42 LEU HD13 . 17606 1 497 . 1 1 42 42 LEU HD21 H 1 -0.3300 0.02 . 2 . . . A 42 LEU HD21 . 17606 1 498 . 1 1 42 42 LEU HD22 H 1 -0.3300 0.02 . 2 . . . A 42 LEU HD22 . 17606 1 499 . 1 1 42 42 LEU HD23 H 1 -0.3300 0.02 . 2 . . . A 42 LEU HD23 . 17606 1 500 . 1 1 42 42 LEU C C 13 175.4910 0.3 . 1 . . . A 42 LEU C . 17606 1 501 . 1 1 42 42 LEU CA C 13 53.3670 0.3 . 1 . . . A 42 LEU CA . 17606 1 502 . 1 1 42 42 LEU CB C 13 39.6960 0.3 . 1 . . . A 42 LEU CB . 17606 1 503 . 1 1 42 42 LEU CG C 13 26.5350 0.3 . 1 . . . A 42 LEU CG . 17606 1 504 . 1 1 42 42 LEU CD1 C 13 25.4730 0.3 . 2 . . . A 42 LEU CD1 . 17606 1 505 . 1 1 42 42 LEU CD2 C 13 20.2320 0.3 . 2 . . . A 42 LEU CD2 . 17606 1 506 . 1 1 42 42 LEU N N 15 128.7700 0.3 . 1 . . . A 42 LEU N . 17606 1 507 . 1 1 43 43 VAL H H 1 8.8470 0.02 . 1 . . . A 43 VAL H . 17606 1 508 . 1 1 43 43 VAL HA H 1 4.9800 0.02 . 1 . . . A 43 VAL HA . 17606 1 509 . 1 1 43 43 VAL HB H 1 1.3110 0.02 . 1 . . . A 43 VAL HB . 17606 1 510 . 1 1 43 43 VAL HG11 H 1 0.5190 0.02 . 2 . . . A 43 VAL HG11 . 17606 1 511 . 1 1 43 43 VAL HG12 H 1 0.5190 0.02 . 2 . . . A 43 VAL HG12 . 17606 1 512 . 1 1 43 43 VAL HG13 H 1 0.5190 0.02 . 2 . . . A 43 VAL HG13 . 17606 1 513 . 1 1 43 43 VAL HG21 H 1 0.4070 0.02 . 2 . . . A 43 VAL HG21 . 17606 1 514 . 1 1 43 43 VAL HG22 H 1 0.4070 0.02 . 2 . . . A 43 VAL HG22 . 17606 1 515 . 1 1 43 43 VAL HG23 H 1 0.4070 0.02 . 2 . . . A 43 VAL HG23 . 17606 1 516 . 1 1 43 43 VAL C C 13 173.2570 0.3 . 1 . . . A 43 VAL C . 17606 1 517 . 1 1 43 43 VAL CA C 13 58.3110 0.3 . 1 . . . A 43 VAL CA . 17606 1 518 . 1 1 43 43 VAL CB C 13 34.0540 0.3 . 1 . . . A 43 VAL CB . 17606 1 519 . 1 1 43 43 VAL CG1 C 13 18.1730 0.3 . 2 . . . A 43 VAL CG1 . 17606 1 520 . 1 1 43 43 VAL CG2 C 13 21.2850 0.3 . 2 . . . A 43 VAL CG2 . 17606 1 521 . 1 1 43 43 VAL N N 15 121.2690 0.3 . 1 . . . A 43 VAL N . 17606 1 522 . 1 1 44 44 HIS H H 1 8.2860 0.02 . 1 . . . A 44 HIS H . 17606 1 523 . 1 1 44 44 HIS HB2 H 1 2.6150 0.02 . 2 . . . A 44 HIS HB2 . 17606 1 524 . 1 1 44 44 HIS C C 13 174.2720 0.3 . 1 . . . A 44 HIS C . 17606 1 525 . 1 1 44 44 HIS CA C 13 53.3190 0.3 . 1 . . . A 44 HIS CA . 17606 1 526 . 1 1 44 44 HIS CB C 13 31.0160 0.3 . 1 . . . A 44 HIS CB . 17606 1 527 . 1 1 44 44 HIS N N 15 118.1260 0.3 . 1 . . . A 44 HIS N . 17606 1 528 . 1 1 45 45 TYR H H 1 8.0130 0.02 . 1 . . . A 45 TYR H . 17606 1 529 . 1 1 45 45 TYR HA H 1 4.0990 0.02 . 1 . . . A 45 TYR HA . 17606 1 530 . 1 1 45 45 TYR HB2 H 1 2.0200 0.02 . 2 . . . A 45 TYR HB2 . 17606 1 531 . 1 1 45 45 TYR HD1 H 1 6.6060 0.02 . 1 . . . A 45 TYR HD1 . 17606 1 532 . 1 1 45 45 TYR HD2 H 1 6.6060 0.02 . 1 . . . A 45 TYR HD2 . 17606 1 533 . 1 1 45 45 TYR HE1 H 1 6.5150 0.02 . 1 . . . A 45 TYR HE1 . 17606 1 534 . 1 1 45 45 TYR HE2 H 1 6.5150 0.02 . 1 . . . A 45 TYR HE2 . 17606 1 535 . 1 1 45 45 TYR C C 13 175.3430 0.3 . 1 . . . A 45 TYR C . 17606 1 536 . 1 1 45 45 TYR CA C 13 58.2400 0.3 . 1 . . . A 45 TYR CA . 17606 1 537 . 1 1 45 45 TYR CB C 13 37.5000 0.3 . 1 . . . A 45 TYR CB . 17606 1 538 . 1 1 45 45 TYR CD1 C 13 132.9330 0.3 . 1 . . . A 45 TYR CD1 . 17606 1 539 . 1 1 45 45 TYR CD2 C 13 132.9330 0.3 . 1 . . . A 45 TYR CD2 . 17606 1 540 . 1 1 45 45 TYR CE1 C 13 116.7870 0.3 . 1 . . . A 45 TYR CE1 . 17606 1 541 . 1 1 45 45 TYR CE2 C 13 116.7870 0.3 . 1 . . . A 45 TYR CE2 . 17606 1 542 . 1 1 45 45 TYR N N 15 127.7110 0.3 . 1 . . . A 45 TYR N . 17606 1 543 . 1 1 46 46 TYR H H 1 7.8420 0.02 . 1 . . . A 46 TYR H . 17606 1 544 . 1 1 46 46 TYR HA H 1 4.2140 0.02 . 1 . . . A 46 TYR HA . 17606 1 545 . 1 1 46 46 TYR HB2 H 1 2.8780 0.02 . 2 . . . A 46 TYR HB2 . 17606 1 546 . 1 1 46 46 TYR HB3 H 1 2.7670 0.02 . 2 . . . A 46 TYR HB3 . 17606 1 547 . 1 1 46 46 TYR HD1 H 1 7.0510 0.02 . 1 . . . A 46 TYR HD1 . 17606 1 548 . 1 1 46 46 TYR HD2 H 1 7.0510 0.02 . 1 . . . A 46 TYR HD2 . 17606 1 549 . 1 1 46 46 TYR HE1 H 1 6.8040 0.02 . 1 . . . A 46 TYR HE1 . 17606 1 550 . 1 1 46 46 TYR HE2 H 1 6.8040 0.02 . 1 . . . A 46 TYR HE2 . 17606 1 551 . 1 1 46 46 TYR CA C 13 58.9450 0.3 . 1 . . . A 46 TYR CA . 17606 1 552 . 1 1 46 46 TYR CB C 13 38.4000 0.3 . 1 . . . A 46 TYR CB . 17606 1 553 . 1 1 46 46 TYR CD1 C 13 132.8370 0.3 . 1 . . . A 46 TYR CD1 . 17606 1 554 . 1 1 46 46 TYR CD2 C 13 132.8370 0.3 . 1 . . . A 46 TYR CD2 . 17606 1 555 . 1 1 46 46 TYR CE1 C 13 118.4910 0.3 . 1 . . . A 46 TYR CE1 . 17606 1 556 . 1 1 46 46 TYR CE2 C 13 118.4910 0.3 . 1 . . . A 46 TYR CE2 . 17606 1 557 . 1 1 46 46 TYR N N 15 121.3730 0.3 . 1 . . . A 46 TYR N . 17606 1 558 . 1 1 47 47 GLY HA2 H 1 4.0810 0.02 . 2 . . . A 47 GLY HA2 . 17606 1 559 . 1 1 47 47 GLY HA3 H 1 3.7330 0.02 . 2 . . . A 47 GLY HA3 . 17606 1 560 . 1 1 47 47 GLY CA C 13 45.1470 0.3 . 1 . . . A 47 GLY CA . 17606 1 561 . 1 1 48 48 TRP H H 1 8.1050 0.02 . 1 . . . A 48 TRP H . 17606 1 562 . 1 1 48 48 TRP HE1 H 1 9.3279 0.02 . 1 . . . A 48 TRP HE1 . 17606 1 563 . 1 1 48 48 TRP CA C 13 55.9660 0.3 . 1 . . . A 48 TRP CA . 17606 1 564 . 1 1 48 48 TRP CB C 13 30.3990 0.3 . 1 . . . A 48 TRP CB . 17606 1 565 . 1 1 48 48 TRP N N 15 121.4130 0.3 . 1 . . . A 48 TRP N . 17606 1 566 . 1 1 48 48 TRP NE1 N 15 127.3369 0.3 . 1 . . . A 48 TRP NE1 . 17606 1 567 . 1 1 50 50 VAL HA H 1 4.1740 0.02 . 1 . . . A 50 VAL HA . 17606 1 568 . 1 1 50 50 VAL HB H 1 2.0160 0.02 . 1 . . . A 50 VAL HB . 17606 1 569 . 1 1 50 50 VAL HG11 H 1 0.7670 0.02 . 2 . . . A 50 VAL HG11 . 17606 1 570 . 1 1 50 50 VAL HG12 H 1 0.7670 0.02 . 2 . . . A 50 VAL HG12 . 17606 1 571 . 1 1 50 50 VAL HG13 H 1 0.7670 0.02 . 2 . . . A 50 VAL HG13 . 17606 1 572 . 1 1 50 50 VAL HG21 H 1 0.7980 0.02 . 2 . . . A 50 VAL HG21 . 17606 1 573 . 1 1 50 50 VAL HG22 H 1 0.7980 0.02 . 2 . . . A 50 VAL HG22 . 17606 1 574 . 1 1 50 50 VAL HG23 H 1 0.7980 0.02 . 2 . . . A 50 VAL HG23 . 17606 1 575 . 1 1 50 50 VAL CA C 13 62.8830 0.3 . 1 . . . A 50 VAL CA . 17606 1 576 . 1 1 50 50 VAL CB C 13 32.2240 0.3 . 1 . . . A 50 VAL CB . 17606 1 577 . 1 1 50 50 VAL CG1 C 13 19.6480 0.3 . 2 . . . A 50 VAL CG1 . 17606 1 578 . 1 1 50 50 VAL CG2 C 13 21.1170 0.3 . 2 . . . A 50 VAL CG2 . 17606 1 579 . 1 1 51 51 ARG HA H 1 4.1180 0.02 . 1 . . . A 51 ARG HA . 17606 1 580 . 1 1 51 51 ARG HB2 H 1 1.4170 0.02 . 2 . . . A 51 ARG HB2 . 17606 1 581 . 1 1 51 51 ARG HG2 H 1 1.1540 0.02 . 2 . . . A 51 ARG HG2 . 17606 1 582 . 1 1 51 51 ARG HG3 H 1 0.8690 0.02 . 2 . . . A 51 ARG HG3 . 17606 1 583 . 1 1 51 51 ARG HD2 H 1 2.6800 0.02 . 2 . . . A 51 ARG HD2 . 17606 1 584 . 1 1 51 51 ARG HD3 H 1 2.7310 0.02 . 2 . . . A 51 ARG HD3 . 17606 1 585 . 1 1 51 51 ARG HE H 1 6.9350 0.02 . 1 . . . A 51 ARG HE . 17606 1 586 . 1 1 51 51 ARG C C 13 176.0100 0.3 . 1 . . . A 51 ARG C . 17606 1 587 . 1 1 51 51 ARG CA C 13 57.0040 0.3 . 1 . . . A 51 ARG CA . 17606 1 588 . 1 1 51 51 ARG CB C 13 29.9340 0.3 . 1 . . . A 51 ARG CB . 17606 1 589 . 1 1 51 51 ARG CG C 13 26.4920 0.3 . 1 . . . A 51 ARG CG . 17606 1 590 . 1 1 51 51 ARG CD C 13 43.0060 0.3 . 1 . . . A 51 ARG CD . 17606 1 591 . 1 1 51 51 ARG NE N 15 113.8730 0.3 . 1 . . . A 51 ARG NE . 17606 1 592 . 1 1 52 52 TYR H H 1 7.8600 0.02 . 1 . . . A 52 TYR H . 17606 1 593 . 1 1 52 52 TYR HA H 1 4.6360 0.02 . 1 . . . A 52 TYR HA . 17606 1 594 . 1 1 52 52 TYR HB2 H 1 3.1000 0.02 . 2 . . . A 52 TYR HB2 . 17606 1 595 . 1 1 52 52 TYR HB3 H 1 3.3500 0.02 . 2 . . . A 52 TYR HB3 . 17606 1 596 . 1 1 52 52 TYR HD1 H 1 7.2130 0.02 . 1 . . . A 52 TYR HD1 . 17606 1 597 . 1 1 52 52 TYR HD2 H 1 7.2130 0.02 . 1 . . . A 52 TYR HD2 . 17606 1 598 . 1 1 52 52 TYR HE1 H 1 6.7840 0.02 . 1 . . . A 52 TYR HE1 . 17606 1 599 . 1 1 52 52 TYR HE2 H 1 6.7840 0.02 . 1 . . . A 52 TYR HE2 . 17606 1 600 . 1 1 52 52 TYR CA C 13 58.0000 0.3 . 1 . . . A 52 TYR CA . 17606 1 601 . 1 1 52 52 TYR CB C 13 38.8040 0.3 . 1 . . . A 52 TYR CB . 17606 1 602 . 1 1 52 52 TYR CD1 C 13 133.3740 0.3 . 1 . . . A 52 TYR CD1 . 17606 1 603 . 1 1 52 52 TYR CD2 C 13 133.3740 0.3 . 1 . . . A 52 TYR CD2 . 17606 1 604 . 1 1 52 52 TYR CE1 C 13 117.7010 0.3 . 1 . . . A 52 TYR CE1 . 17606 1 605 . 1 1 52 52 TYR CE2 C 13 117.7010 0.3 . 1 . . . A 52 TYR CE2 . 17606 1 606 . 1 1 52 52 TYR N N 15 119.2630 0.3 . 1 . . . A 52 TYR N . 17606 1 607 . 1 1 53 53 ASP H H 1 8.0140 0.02 . 1 . . . A 53 ASP H . 17606 1 608 . 1 1 53 53 ASP HA H 1 4.9770 0.02 . 1 . . . A 53 ASP HA . 17606 1 609 . 1 1 53 53 ASP HB2 H 1 2.5590 0.02 . 2 . . . A 53 ASP HB2 . 17606 1 610 . 1 1 53 53 ASP HB3 H 1 2.3940 0.02 . 2 . . . A 53 ASP HB3 . 17606 1 611 . 1 1 53 53 ASP CA C 13 55.2720 0.3 . 1 . . . A 53 ASP CA . 17606 1 612 . 1 1 53 53 ASP CB C 13 40.3040 0.3 . 1 . . . A 53 ASP CB . 17606 1 613 . 1 1 53 53 ASP N N 15 122.1030 0.3 . 1 . . . A 53 ASP N . 17606 1 614 . 1 1 54 54 GLU H H 1 8.0180 0.02 . 1 . . . A 54 GLU H . 17606 1 615 . 1 1 54 54 GLU HA H 1 4.7730 0.02 . 1 . . . A 54 GLU HA . 17606 1 616 . 1 1 54 54 GLU HB2 H 1 2.1110 0.02 . 2 . . . A 54 GLU HB2 . 17606 1 617 . 1 1 54 54 GLU HB3 H 1 2.1450 0.02 . 2 . . . A 54 GLU HB3 . 17606 1 618 . 1 1 54 54 GLU HG2 H 1 2.4620 0.02 . 2 . . . A 54 GLU HG2 . 17606 1 619 . 1 1 54 54 GLU HG3 H 1 2.4160 0.02 . 2 . . . A 54 GLU HG3 . 17606 1 620 . 1 1 54 54 GLU C C 13 174.0990 0.3 . 1 . . . A 54 GLU C . 17606 1 621 . 1 1 54 54 GLU CA C 13 54.8780 0.3 . 1 . . . A 54 GLU CA . 17606 1 622 . 1 1 54 54 GLU CB C 13 34.1310 0.3 . 1 . . . A 54 GLU CB . 17606 1 623 . 1 1 54 54 GLU CG C 13 35.3220 0.3 . 1 . . . A 54 GLU CG . 17606 1 624 . 1 1 54 54 GLU N N 15 119.7330 0.3 . 1 . . . A 54 GLU N . 17606 1 625 . 1 1 55 55 TRP H H 1 8.7600 0.02 . 1 . . . A 55 TRP H . 17606 1 626 . 1 1 55 55 TRP HA H 1 5.2440 0.02 . 1 . . . A 55 TRP HA . 17606 1 627 . 1 1 55 55 TRP HB2 H 1 2.9240 0.02 . 2 . . . A 55 TRP HB2 . 17606 1 628 . 1 1 55 55 TRP HB3 H 1 3.1540 0.02 . 2 . . . A 55 TRP HB3 . 17606 1 629 . 1 1 55 55 TRP HD1 H 1 7.3040 0.02 . 1 . . . A 55 TRP HD1 . 17606 1 630 . 1 1 55 55 TRP HE1 H 1 10.2040 0.02 . 1 . . . A 55 TRP HE1 . 17606 1 631 . 1 1 55 55 TRP HZ2 H 1 7.4170 0.02 . 1 . . . A 55 TRP HZ2 . 17606 1 632 . 1 1 55 55 TRP HZ3 H 1 6.7370 0.02 . 1 . . . A 55 TRP HZ3 . 17606 1 633 . 1 1 55 55 TRP HH2 H 1 6.9680 0.02 . 1 . . . A 55 TRP HH2 . 17606 1 634 . 1 1 55 55 TRP C C 13 177.0880 0.3 . 1 . . . A 55 TRP C . 17606 1 635 . 1 1 55 55 TRP CA C 13 56.3890 0.3 . 1 . . . A 55 TRP CA . 17606 1 636 . 1 1 55 55 TRP CB C 13 29.4130 0.3 . 1 . . . A 55 TRP CB . 17606 1 637 . 1 1 55 55 TRP CD1 C 13 127.8530 0.3 . 1 . . . A 55 TRP CD1 . 17606 1 638 . 1 1 55 55 TRP CZ2 C 13 115.5910 0.3 . 1 . . . A 55 TRP CZ2 . 17606 1 639 . 1 1 55 55 TRP CH2 C 13 124.4780 0.3 . 1 . . . A 55 TRP CH2 . 17606 1 640 . 1 1 55 55 TRP N N 15 124.6750 0.3 . 1 . . . A 55 TRP N . 17606 1 641 . 1 1 55 55 TRP NE1 N 15 129.8370 0.3 . 1 . . . A 55 TRP NE1 . 17606 1 642 . 1 1 56 56 VAL H H 1 10.0060 0.02 . 1 . . . A 56 VAL H . 17606 1 643 . 1 1 56 56 VAL HA H 1 4.9240 0.02 . 1 . . . A 56 VAL HA . 17606 1 644 . 1 1 56 56 VAL HB H 1 2.2410 0.02 . 1 . . . A 56 VAL HB . 17606 1 645 . 1 1 56 56 VAL HG11 H 1 0.9340 0.02 . 2 . . . A 56 VAL HG11 . 17606 1 646 . 1 1 56 56 VAL HG12 H 1 0.9340 0.02 . 2 . . . A 56 VAL HG12 . 17606 1 647 . 1 1 56 56 VAL HG13 H 1 0.9340 0.02 . 2 . . . A 56 VAL HG13 . 17606 1 648 . 1 1 56 56 VAL HG21 H 1 0.9380 0.02 . 2 . . . A 56 VAL HG21 . 17606 1 649 . 1 1 56 56 VAL HG22 H 1 0.9380 0.02 . 2 . . . A 56 VAL HG22 . 17606 1 650 . 1 1 56 56 VAL HG23 H 1 0.9380 0.02 . 2 . . . A 56 VAL HG23 . 17606 1 651 . 1 1 56 56 VAL C C 13 174.8660 0.3 . 1 . . . A 56 VAL C . 17606 1 652 . 1 1 56 56 VAL CA C 13 58.9680 0.3 . 1 . . . A 56 VAL CA . 17606 1 653 . 1 1 56 56 VAL CB C 13 35.8610 0.3 . 1 . . . A 56 VAL CB . 17606 1 654 . 1 1 56 56 VAL CG1 C 13 21.4950 0.3 . 2 . . . A 56 VAL CG1 . 17606 1 655 . 1 1 56 56 VAL CG2 C 13 19.9220 0.3 . 2 . . . A 56 VAL CG2 . 17606 1 656 . 1 1 56 56 VAL N N 15 119.8730 0.3 . 1 . . . A 56 VAL N . 17606 1 657 . 1 1 57 57 LYS H H 1 8.3610 0.02 . 1 . . . A 57 LYS H . 17606 1 658 . 1 1 57 57 LYS HA H 1 4.8650 0.02 . 1 . . . A 57 LYS HA . 17606 1 659 . 1 1 57 57 LYS HB2 H 1 1.9520 0.02 . 2 . . . A 57 LYS HB2 . 17606 1 660 . 1 1 57 57 LYS HB3 H 1 2.2780 0.02 . 2 . . . A 57 LYS HB3 . 17606 1 661 . 1 1 57 57 LYS HG2 H 1 1.7220 0.02 . 2 . . . A 57 LYS HG2 . 17606 1 662 . 1 1 57 57 LYS HG3 H 1 1.5620 0.02 . 2 . . . A 57 LYS HG3 . 17606 1 663 . 1 1 57 57 LYS HD2 H 1 1.8190 0.02 . 2 . . . A 57 LYS HD2 . 17606 1 664 . 1 1 57 57 LYS HE2 H 1 3.0410 0.02 . 2 . . . A 57 LYS HE2 . 17606 1 665 . 1 1 57 57 LYS C C 13 178.1200 0.3 . 1 . . . A 57 LYS C . 17606 1 666 . 1 1 57 57 LYS CA C 13 56.4410 0.3 . 1 . . . A 57 LYS CA . 17606 1 667 . 1 1 57 57 LYS CB C 13 34.1840 0.3 . 1 . . . A 57 LYS CB . 17606 1 668 . 1 1 57 57 LYS CG C 13 26.6230 0.3 . 1 . . . A 57 LYS CG . 17606 1 669 . 1 1 57 57 LYS CD C 13 29.4650 0.3 . 1 . . . A 57 LYS CD . 17606 1 670 . 1 1 57 57 LYS CE C 13 42.1530 0.3 . 1 . . . A 57 LYS CE . 17606 1 671 . 1 1 57 57 LYS N N 15 120.4660 0.3 . 1 . . . A 57 LYS N . 17606 1 672 . 1 1 58 58 ALA H H 1 9.0640 0.02 . 1 . . . A 58 ALA H . 17606 1 673 . 1 1 58 58 ALA HA H 1 4.1540 0.02 . 1 . . . A 58 ALA HA . 17606 1 674 . 1 1 58 58 ALA HB1 H 1 1.8660 0.02 . 1 . . . A 58 ALA HB1 . 17606 1 675 . 1 1 58 58 ALA HB2 H 1 1.8660 0.02 . 1 . . . A 58 ALA HB2 . 17606 1 676 . 1 1 58 58 ALA HB3 H 1 1.8660 0.02 . 1 . . . A 58 ALA HB3 . 17606 1 677 . 1 1 58 58 ALA C C 13 179.5080 0.3 . 1 . . . A 58 ALA C . 17606 1 678 . 1 1 58 58 ALA CA C 13 55.6890 0.3 . 1 . . . A 58 ALA CA . 17606 1 679 . 1 1 58 58 ALA CB C 13 19.4740 0.3 . 1 . . . A 58 ALA CB . 17606 1 680 . 1 1 58 58 ALA N N 15 120.3180 0.3 . 1 . . . A 58 ALA N . 17606 1 681 . 1 1 59 59 ASP H H 1 8.2560 0.02 . 1 . . . A 59 ASP H . 17606 1 682 . 1 1 59 59 ASP HA H 1 4.5370 0.02 . 1 . . . A 59 ASP HA . 17606 1 683 . 1 1 59 59 ASP HB2 H 1 2.9060 0.02 . 2 . . . A 59 ASP HB2 . 17606 1 684 . 1 1 59 59 ASP HB3 H 1 2.7430 0.02 . 2 . . . A 59 ASP HB3 . 17606 1 685 . 1 1 59 59 ASP C C 13 177.4990 0.3 . 1 . . . A 59 ASP C . 17606 1 686 . 1 1 59 59 ASP CA C 13 55.6530 0.3 . 1 . . . A 59 ASP CA . 17606 1 687 . 1 1 59 59 ASP CB C 13 39.7340 0.3 . 1 . . . A 59 ASP CB . 17606 1 688 . 1 1 59 59 ASP N N 15 113.8240 0.3 . 1 . . . A 59 ASP N . 17606 1 689 . 1 1 60 60 ARG H H 1 7.9310 0.02 . 1 . . . A 60 ARG H . 17606 1 690 . 1 1 60 60 ARG HA H 1 4.2910 0.02 . 1 . . . A 60 ARG HA . 17606 1 691 . 1 1 60 60 ARG HB2 H 1 2.4220 0.02 . 2 . . . A 60 ARG HB2 . 17606 1 692 . 1 1 60 60 ARG HB3 H 1 1.8820 0.02 . 2 . . . A 60 ARG HB3 . 17606 1 693 . 1 1 60 60 ARG HG2 H 1 2.0360 0.02 . 2 . . . A 60 ARG HG2 . 17606 1 694 . 1 1 60 60 ARG HD2 H 1 3.3280 0.02 . 2 . . . A 60 ARG HD2 . 17606 1 695 . 1 1 60 60 ARG HE H 1 7.2080 0.02 . 1 . . . A 60 ARG HE . 17606 1 696 . 1 1 60 60 ARG C C 13 174.9180 0.3 . 1 . . . A 60 ARG C . 17606 1 697 . 1 1 60 60 ARG CA C 13 56.1440 0.3 . 1 . . . A 60 ARG CA . 17606 1 698 . 1 1 60 60 ARG CB C 13 31.0090 0.3 . 1 . . . A 60 ARG CB . 17606 1 699 . 1 1 60 60 ARG CG C 13 27.1580 0.3 . 1 . . . A 60 ARG CG . 17606 1 700 . 1 1 60 60 ARG CD C 13 43.4110 0.3 . 1 . . . A 60 ARG CD . 17606 1 701 . 1 1 60 60 ARG N N 15 118.0410 0.3 . 1 . . . A 60 ARG N . 17606 1 702 . 1 1 60 60 ARG NE N 15 113.1730 0.3 . 1 . . . A 60 ARG NE . 17606 1 703 . 1 1 61 61 ILE H H 1 7.4630 0.02 . 1 . . . A 61 ILE H . 17606 1 704 . 1 1 61 61 ILE HA H 1 4.1170 0.02 . 1 . . . A 61 ILE HA . 17606 1 705 . 1 1 61 61 ILE HB H 1 1.3640 0.02 . 1 . . . A 61 ILE HB . 17606 1 706 . 1 1 61 61 ILE HG12 H 1 0.7350 0.02 . 2 . . . A 61 ILE HG12 . 17606 1 707 . 1 1 61 61 ILE HG13 H 1 1.0460 0.02 . 2 . . . A 61 ILE HG13 . 17606 1 708 . 1 1 61 61 ILE HG21 H 1 -0.8610 0.02 . 1 . . . A 61 ILE HG21 . 17606 1 709 . 1 1 61 61 ILE HG22 H 1 -0.8610 0.02 . 1 . . . A 61 ILE HG22 . 17606 1 710 . 1 1 61 61 ILE HG23 H 1 -0.8610 0.02 . 1 . . . A 61 ILE HG23 . 17606 1 711 . 1 1 61 61 ILE HD11 H 1 0.0570 0.02 . 1 . . . A 61 ILE HD11 . 17606 1 712 . 1 1 61 61 ILE HD12 H 1 0.0570 0.02 . 1 . . . A 61 ILE HD12 . 17606 1 713 . 1 1 61 61 ILE HD13 H 1 0.0570 0.02 . 1 . . . A 61 ILE HD13 . 17606 1 714 . 1 1 61 61 ILE C C 13 175.2430 0.3 . 1 . . . A 61 ILE C . 17606 1 715 . 1 1 61 61 ILE CA C 13 60.4130 0.3 . 1 . . . A 61 ILE CA . 17606 1 716 . 1 1 61 61 ILE CB C 13 38.4280 0.3 . 1 . . . A 61 ILE CB . 17606 1 717 . 1 1 61 61 ILE CG1 C 13 27.7870 0.3 . 1 . . . A 61 ILE CG1 . 17606 1 718 . 1 1 61 61 ILE CG2 C 13 15.3080 0.3 . 1 . . . A 61 ILE CG2 . 17606 1 719 . 1 1 61 61 ILE CD1 C 13 12.0570 0.3 . 1 . . . A 61 ILE CD1 . 17606 1 720 . 1 1 61 61 ILE N N 15 118.7870 0.3 . 1 . . . A 61 ILE N . 17606 1 721 . 1 1 62 62 ILE H H 1 8.7730 0.02 . 1 . . . A 62 ILE H . 17606 1 722 . 1 1 62 62 ILE HA H 1 4.1560 0.02 . 1 . . . A 62 ILE HA . 17606 1 723 . 1 1 62 62 ILE HB H 1 1.6010 0.02 . 1 . . . A 62 ILE HB . 17606 1 724 . 1 1 62 62 ILE HG12 H 1 0.9380 0.02 . 2 . . . A 62 ILE HG12 . 17606 1 725 . 1 1 62 62 ILE HG13 H 1 1.3210 0.02 . 2 . . . A 62 ILE HG13 . 17606 1 726 . 1 1 62 62 ILE HG21 H 1 0.8170 0.02 . 1 . . . A 62 ILE HG21 . 17606 1 727 . 1 1 62 62 ILE HG22 H 1 0.8170 0.02 . 1 . . . A 62 ILE HG22 . 17606 1 728 . 1 1 62 62 ILE HG23 H 1 0.8170 0.02 . 1 . . . A 62 ILE HG23 . 17606 1 729 . 1 1 62 62 ILE HD11 H 1 0.7330 0.02 . 1 . . . A 62 ILE HD11 . 17606 1 730 . 1 1 62 62 ILE HD12 H 1 0.7330 0.02 . 1 . . . A 62 ILE HD12 . 17606 1 731 . 1 1 62 62 ILE HD13 H 1 0.7330 0.02 . 1 . . . A 62 ILE HD13 . 17606 1 732 . 1 1 62 62 ILE C C 13 175.8670 0.3 . 1 . . . A 62 ILE C . 17606 1 733 . 1 1 62 62 ILE CA C 13 60.4360 0.3 . 1 . . . A 62 ILE CA . 17606 1 734 . 1 1 62 62 ILE CB C 13 38.3190 0.3 . 1 . . . A 62 ILE CB . 17606 1 735 . 1 1 62 62 ILE CG1 C 13 26.9480 0.3 . 1 . . . A 62 ILE CG1 . 17606 1 736 . 1 1 62 62 ILE CG2 C 13 17.3000 0.3 . 1 . . . A 62 ILE CG2 . 17606 1 737 . 1 1 62 62 ILE CD1 C 13 14.3540 0.3 . 1 . . . A 62 ILE CD1 . 17606 1 738 . 1 1 62 62 ILE N N 15 127.9750 0.3 . 1 . . . A 62 ILE N . 17606 1 739 . 1 1 63 63 TRP H H 1 8.5060 0.02 . 1 . . . A 63 TRP H . 17606 1 740 . 1 1 63 63 TRP HA H 1 4.5620 0.02 . 1 . . . A 63 TRP HA . 17606 1 741 . 1 1 63 63 TRP HB2 H 1 3.3760 0.02 . 2 . . . A 63 TRP HB2 . 17606 1 742 . 1 1 63 63 TRP HB3 H 1 2.9410 0.02 . 2 . . . A 63 TRP HB3 . 17606 1 743 . 1 1 63 63 TRP HD1 H 1 7.3690 0.02 . 1 . . . A 63 TRP HD1 . 17606 1 744 . 1 1 63 63 TRP HE1 H 1 10.0140 0.02 . 1 . . . A 63 TRP HE1 . 17606 1 745 . 1 1 63 63 TRP HE3 H 1 7.4680 0.02 . 1 . . . A 63 TRP HE3 . 17606 1 746 . 1 1 63 63 TRP HZ2 H 1 6.9900 0.02 . 1 . . . A 63 TRP HZ2 . 17606 1 747 . 1 1 63 63 TRP HZ3 H 1 6.8240 0.02 . 1 . . . A 63 TRP HZ3 . 17606 1 748 . 1 1 63 63 TRP HH2 H 1 6.6380 0.02 . 1 . . . A 63 TRP HH2 . 17606 1 749 . 1 1 63 63 TRP C C 13 174.8590 0.3 . 1 . . . A 63 TRP C . 17606 1 750 . 1 1 63 63 TRP CA C 13 55.5420 0.3 . 1 . . . A 63 TRP CA . 17606 1 751 . 1 1 63 63 TRP CB C 13 28.6590 0.3 . 1 . . . A 63 TRP CB . 17606 1 752 . 1 1 63 63 TRP CD1 C 13 128.4430 0.3 . 1 . . . A 63 TRP CD1 . 17606 1 753 . 1 1 63 63 TRP CE3 C 13 120.6730 0.3 . 1 . . . A 63 TRP CE3 . 17606 1 754 . 1 1 63 63 TRP CZ2 C 13 114.1740 0.3 . 1 . . . A 63 TRP CZ2 . 17606 1 755 . 1 1 63 63 TRP CH2 C 13 124.4440 0.3 . 1 . . . A 63 TRP CH2 . 17606 1 756 . 1 1 63 63 TRP N N 15 131.2330 0.3 . 1 . . . A 63 TRP N . 17606 1 757 . 1 1 63 63 TRP NE1 N 15 129.6140 0.3 . 1 . . . A 63 TRP NE1 . 17606 1 758 . 1 1 64 64 PRO HA H 1 4.5490 0.02 . 1 . . . A 64 PRO HA . 17606 1 759 . 1 1 64 64 PRO HB2 H 1 2.0690 0.02 . 2 . . . A 64 PRO HB2 . 17606 1 760 . 1 1 64 64 PRO HB3 H 1 2.3910 0.02 . 2 . . . A 64 PRO HB3 . 17606 1 761 . 1 1 64 64 PRO HG2 H 1 2.2160 0.02 . 2 . . . A 64 PRO HG2 . 17606 1 762 . 1 1 64 64 PRO HG3 H 1 2.2740 0.02 . 2 . . . A 64 PRO HG3 . 17606 1 763 . 1 1 64 64 PRO HD2 H 1 4.0740 0.02 . 2 . . . A 64 PRO HD2 . 17606 1 764 . 1 1 64 64 PRO C C 13 176.9660 0.3 . 1 . . . A 64 PRO C . 17606 1 765 . 1 1 64 64 PRO CA C 13 63.1310 0.3 . 1 . . . A 64 PRO CA . 17606 1 766 . 1 1 64 64 PRO CB C 13 32.0250 0.3 . 1 . . . A 64 PRO CB . 17606 1 767 . 1 1 64 64 PRO CG C 13 27.6020 0.3 . 1 . . . A 64 PRO CG . 17606 1 768 . 1 1 64 64 PRO CD C 13 51.0670 0.3 . 1 . . . A 64 PRO CD . 17606 1 769 . 1 1 65 65 LEU H H 1 8.4260 0.02 . 1 . . . A 65 LEU H . 17606 1 770 . 1 1 65 65 LEU HA H 1 4.3330 0.02 . 1 . . . A 65 LEU HA . 17606 1 771 . 1 1 65 65 LEU HB2 H 1 1.6640 0.02 . 2 . . . A 65 LEU HB2 . 17606 1 772 . 1 1 65 65 LEU HB3 H 1 1.5880 0.02 . 2 . . . A 65 LEU HB3 . 17606 1 773 . 1 1 65 65 LEU HG H 1 1.6860 0.02 . 1 . . . A 65 LEU HG . 17606 1 774 . 1 1 65 65 LEU HD11 H 1 0.9240 0.02 . 2 . . . A 65 LEU HD11 . 17606 1 775 . 1 1 65 65 LEU HD12 H 1 0.9240 0.02 . 2 . . . A 65 LEU HD12 . 17606 1 776 . 1 1 65 65 LEU HD13 H 1 0.9240 0.02 . 2 . . . A 65 LEU HD13 . 17606 1 777 . 1 1 65 65 LEU HD21 H 1 0.8990 0.02 . 2 . . . A 65 LEU HD21 . 17606 1 778 . 1 1 65 65 LEU HD22 H 1 0.8990 0.02 . 2 . . . A 65 LEU HD22 . 17606 1 779 . 1 1 65 65 LEU HD23 H 1 0.8990 0.02 . 2 . . . A 65 LEU HD23 . 17606 1 780 . 1 1 65 65 LEU C C 13 177.2430 0.3 . 1 . . . A 65 LEU C . 17606 1 781 . 1 1 65 65 LEU CA C 13 55.4920 0.3 . 1 . . . A 65 LEU CA . 17606 1 782 . 1 1 65 65 LEU CB C 13 42.3700 0.3 . 1 . . . A 65 LEU CB . 17606 1 783 . 1 1 65 65 LEU CG C 13 27.0430 0.3 . 1 . . . A 65 LEU CG . 17606 1 784 . 1 1 65 65 LEU CD1 C 13 24.7380 0.3 . 2 . . . A 65 LEU CD1 . 17606 1 785 . 1 1 65 65 LEU CD2 C 13 23.6260 0.3 . 2 . . . A 65 LEU CD2 . 17606 1 786 . 1 1 65 65 LEU N N 15 121.8860 0.3 . 1 . . . A 65 LEU N . 17606 1 787 . 1 1 66 66 ASP H H 1 8.3480 0.02 . 1 . . . A 66 ASP H . 17606 1 788 . 1 1 66 66 ASP HA H 1 4.5780 0.02 . 1 . . . A 66 ASP HA . 17606 1 789 . 1 1 66 66 ASP HB2 H 1 2.7110 0.02 . 2 . . . A 66 ASP HB2 . 17606 1 790 . 1 1 66 66 ASP C C 13 176.4020 0.3 . 1 . . . A 66 ASP C . 17606 1 791 . 1 1 66 66 ASP CA C 13 54.2490 0.3 . 1 . . . A 66 ASP CA . 17606 1 792 . 1 1 66 66 ASP CB C 13 41.1560 0.3 . 1 . . . A 66 ASP CB . 17606 1 793 . 1 1 66 66 ASP N N 15 120.5090 0.3 . 1 . . . A 66 ASP N . 17606 1 794 . 1 1 67 67 LYS H H 1 8.3270 0.02 . 1 . . . A 67 LYS H . 17606 1 795 . 1 1 67 67 LYS HA H 1 4.2780 0.02 . 1 . . . A 67 LYS HA . 17606 1 796 . 1 1 67 67 LYS HB2 H 1 1.8880 0.02 . 2 . . . A 67 LYS HB2 . 17606 1 797 . 1 1 67 67 LYS HB3 H 1 1.7750 0.02 . 2 . . . A 67 LYS HB3 . 17606 1 798 . 1 1 67 67 LYS HG2 H 1 1.4410 0.02 . 2 . . . A 67 LYS HG2 . 17606 1 799 . 1 1 67 67 LYS HG3 H 1 1.3900 0.02 . 2 . . . A 67 LYS HG3 . 17606 1 800 . 1 1 67 67 LYS HD2 H 1 1.6380 0.02 . 2 . . . A 67 LYS HD2 . 17606 1 801 . 1 1 67 67 LYS HE2 H 1 2.9410 0.02 . 2 . . . A 67 LYS HE2 . 17606 1 802 . 1 1 67 67 LYS C C 13 177.1580 0.3 . 1 . . . A 67 LYS C . 17606 1 803 . 1 1 67 67 LYS CA C 13 56.5990 0.3 . 1 . . . A 67 LYS CA . 17606 1 804 . 1 1 67 67 LYS CB C 13 32.7530 0.3 . 1 . . . A 67 LYS CB . 17606 1 805 . 1 1 67 67 LYS CG C 13 24.7460 0.3 . 1 . . . A 67 LYS CG . 17606 1 806 . 1 1 67 67 LYS CD C 13 29.0450 0.3 . 1 . . . A 67 LYS CD . 17606 1 807 . 1 1 67 67 LYS CE C 13 42.2580 0.3 . 1 . . . A 67 LYS CE . 17606 1 808 . 1 1 67 67 LYS N N 15 121.9250 0.3 . 1 . . . A 67 LYS N . 17606 1 809 . 1 1 68 68 GLY H H 1 8.5580 0.02 . 1 . . . A 68 GLY H . 17606 1 810 . 1 1 68 68 GLY HA2 H 1 3.9050 0.02 . 2 . . . A 68 GLY HA2 . 17606 1 811 . 1 1 68 68 GLY C C 13 174.4130 0.3 . 1 . . . A 68 GLY C . 17606 1 812 . 1 1 68 68 GLY CA C 13 45.6230 0.3 . 1 . . . A 68 GLY CA . 17606 1 813 . 1 1 68 68 GLY N N 15 109.4170 0.3 . 1 . . . A 68 GLY N . 17606 1 814 . 1 1 69 69 LEU H H 1 7.9720 0.02 . 1 . . . A 69 LEU H . 17606 1 815 . 1 1 69 69 LEU HA H 1 4.2550 0.02 . 1 . . . A 69 LEU HA . 17606 1 816 . 1 1 69 69 LEU HB2 H 1 1.5710 0.02 . 2 . . . A 69 LEU HB2 . 17606 1 817 . 1 1 69 69 LEU HB3 H 1 1.5250 0.02 . 2 . . . A 69 LEU HB3 . 17606 1 818 . 1 1 69 69 LEU HG H 1 1.5190 0.02 . 1 . . . A 69 LEU HG . 17606 1 819 . 1 1 69 69 LEU HD11 H 1 0.8890 0.02 . 2 . . . A 69 LEU HD11 . 17606 1 820 . 1 1 69 69 LEU HD12 H 1 0.8890 0.02 . 2 . . . A 69 LEU HD12 . 17606 1 821 . 1 1 69 69 LEU HD13 H 1 0.8890 0.02 . 2 . . . A 69 LEU HD13 . 17606 1 822 . 1 1 69 69 LEU HD21 H 1 0.8140 0.02 . 2 . . . A 69 LEU HD21 . 17606 1 823 . 1 1 69 69 LEU HD22 H 1 0.8140 0.02 . 2 . . . A 69 LEU HD22 . 17606 1 824 . 1 1 69 69 LEU HD23 H 1 0.8140 0.02 . 2 . . . A 69 LEU HD23 . 17606 1 825 . 1 1 69 69 LEU C C 13 177.5590 0.3 . 1 . . . A 69 LEU C . 17606 1 826 . 1 1 69 69 LEU CA C 13 55.3260 0.3 . 1 . . . A 69 LEU CA . 17606 1 827 . 1 1 69 69 LEU CB C 13 42.1690 0.3 . 1 . . . A 69 LEU CB . 17606 1 828 . 1 1 69 69 LEU CG C 13 26.9480 0.3 . 1 . . . A 69 LEU CG . 17606 1 829 . 1 1 69 69 LEU CD1 C 13 25.0600 0.3 . 2 . . . A 69 LEU CD1 . 17606 1 830 . 1 1 69 69 LEU CD2 C 13 23.2780 0.3 . 2 . . . A 69 LEU CD2 . 17606 1 831 . 1 1 69 69 LEU N N 15 120.9370 0.3 . 1 . . . A 69 LEU N . 17606 1 832 . 1 1 70 70 GLU H H 1 8.4430 0.02 . 1 . . . A 70 GLU H . 17606 1 833 . 1 1 70 70 GLU HA H 1 4.1260 0.02 . 1 . . . A 70 GLU HA . 17606 1 834 . 1 1 70 70 GLU HB2 H 1 1.8820 0.02 . 2 . . . A 70 GLU HB2 . 17606 1 835 . 1 1 70 70 GLU HG2 H 1 2.1810 0.02 . 2 . . . A 70 GLU HG2 . 17606 1 836 . 1 1 70 70 GLU HG3 H 1 2.1090 0.02 . 2 . . . A 70 GLU HG3 . 17606 1 837 . 1 1 70 70 GLU C C 13 176.4350 0.3 . 1 . . . A 70 GLU C . 17606 1 838 . 1 1 70 70 GLU CA C 13 57.1500 0.3 . 1 . . . A 70 GLU CA . 17606 1 839 . 1 1 70 70 GLU CB C 13 29.8590 0.3 . 1 . . . A 70 GLU CB . 17606 1 840 . 1 1 70 70 GLU CG C 13 36.0710 0.3 . 1 . . . A 70 GLU CG . 17606 1 841 . 1 1 70 70 GLU N N 15 120.7640 0.3 . 1 . . . A 70 GLU N . 17606 1 842 . 1 1 71 71 HIS H H 1 8.2230 0.02 . 1 . . . A 71 HIS H . 17606 1 843 . 1 1 71 71 HIS HA H 1 4.5980 0.02 . 1 . . . A 71 HIS HA . 17606 1 844 . 1 1 71 71 HIS HB2 H 1 3.0990 0.02 . 2 . . . A 71 HIS HB2 . 17606 1 845 . 1 1 71 71 HIS C C 13 174.0010 0.3 . 1 . . . A 71 HIS C . 17606 1 846 . 1 1 71 71 HIS CA C 13 56.0780 0.3 . 1 . . . A 71 HIS CA . 17606 1 847 . 1 1 71 71 HIS CB C 13 30.5510 0.3 . 1 . . . A 71 HIS CB . 17606 1 848 . 1 1 71 71 HIS N N 15 119.5540 0.3 . 1 . . . A 71 HIS N . 17606 1 849 . 1 1 72 72 HIS H H 1 8.1010 0.02 . 1 . . . A 72 HIS H . 17606 1 850 . 1 1 72 72 HIS HA H 1 4.4140 0.02 . 1 . . . A 72 HIS HA . 17606 1 851 . 1 1 72 72 HIS HB2 H 1 3.1830 0.02 . 2 . . . A 72 HIS HB2 . 17606 1 852 . 1 1 72 72 HIS HB3 H 1 3.0590 0.02 . 2 . . . A 72 HIS HB3 . 17606 1 853 . 1 1 72 72 HIS C C 13 179.2250 0.3 . 1 . . . A 72 HIS C . 17606 1 854 . 1 1 72 72 HIS CA C 13 57.3630 0.3 . 1 . . . A 72 HIS CA . 17606 1 855 . 1 1 72 72 HIS CB C 13 30.4500 0.3 . 1 . . . A 72 HIS CB . 17606 1 856 . 1 1 72 72 HIS N N 15 125.5090 0.3 . 1 . . . A 72 HIS N . 17606 1 857 . 1 1 73 73 HIS HA H 1 4.5440 0.02 . 1 . . . A 73 HIS HA . 17606 1 858 . 1 1 73 73 HIS HB2 H 1 2.9850 0.02 . 2 . . . A 73 HIS HB2 . 17606 1 859 . 1 1 73 73 HIS CA C 13 56.0780 0.3 . 1 . . . A 73 HIS CA . 17606 1 860 . 1 1 73 73 HIS CB C 13 30.5510 0.3 . 1 . . . A 73 HIS CB . 17606 1 861 . 1 1 74 74 HIS H H 1 8.1890 0.02 . 1 . . . A 74 HIS H . 17606 1 862 . 1 1 74 74 HIS HA H 1 4.2020 0.02 . 1 . . . A 74 HIS HA . 17606 1 863 . 1 1 74 74 HIS HB2 H 1 1.8970 0.02 . 2 . . . A 74 HIS HB2 . 17606 1 864 . 1 1 74 74 HIS CA C 13 56.0350 0.3 . 1 . . . A 74 HIS CA . 17606 1 865 . 1 1 74 74 HIS CB C 13 30.2320 0.3 . 1 . . . A 74 HIS CB . 17606 1 866 . 1 1 74 74 HIS N N 15 120.2020 0.3 . 1 . . . A 74 HIS N . 17606 1 867 . 1 1 75 75 HIS H H 1 8.2580 0.02 . 1 . . . A 75 HIS H . 17606 1 868 . 1 1 75 75 HIS HA H 1 4.4230 0.02 . 1 . . . A 75 HIS HA . 17606 1 869 . 1 1 75 75 HIS HB2 H 1 2.0030 0.02 . 2 . . . A 75 HIS HB2 . 17606 1 870 . 1 1 75 75 HIS CA C 13 55.5150 0.3 . 1 . . . A 75 HIS CA . 17606 1 871 . 1 1 75 75 HIS CB C 13 33.2680 0.3 . 1 . . . A 75 HIS CB . 17606 1 872 . 1 1 75 75 HIS N N 15 120.3670 0.3 . 1 . . . A 75 HIS N . 17606 1 873 . 1 1 76 76 HIS H H 1 8.1260 0.02 . 1 . . . A 76 HIS H . 17606 1 874 . 1 1 76 76 HIS CA C 13 53.9990 0.3 . 1 . . . A 76 HIS CA . 17606 1 875 . 1 1 76 76 HIS CB C 13 31.0220 0.3 . 1 . . . A 76 HIS CB . 17606 1 876 . 1 1 76 76 HIS N N 15 121.6370 0.3 . 1 . . . A 76 HIS N . 17606 1 stop_ save_