data_19340 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19340 _Entry.Title ; Untangling the Solution Structure of C-Terminal Domain of AciniformSpidroin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-09 _Entry.Accession_date 2013-07-09 _Entry.Last_release_date 2014-02-13 _Entry.Original_release_date 2014-02-13 _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 Shujing Wang . . . 19340 2 Daiwen Yang . . . 19340 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' . 19340 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'aciniform spidroin' . 19340 'C-terminal domain' . 19340 'spider silk protein' . 19340 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19340 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 330 19340 '15N chemical shifts' 121 19340 '1H chemical shifts' 737 19340 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-02-13 2013-07-08 original author . 19340 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19340 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24422432 _Citation.Full_citation . _Citation.Title 'Structure and function of C-terminal domain of aciniform spidroin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biomacromolecules _Citation.Journal_name_full Biomacromolecules _Citation.Journal_volume 15 _Citation.Journal_issue 2 _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 468 _Citation.Page_last 477 _Citation.Year 2014 _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 Shujing Wang . . . 19340 1 2 Weidong Huang . . . 19340 1 3 Daiwen Yang . . . 19340 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19340 _Assembly.ID 1 _Assembly.Name 'C-Terminal Domain of AciniformSpidroin' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity A . yes native no no . . . 19340 1 2 entity_2 1 $entity B . yes native no no . . . 19340 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19340 _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,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PSFGLVLNSPNGLRSPQAKA RINNLASALSTAVGRNGVDV NAFTSGLRATLSNLGDSGMS PNEAKVEVLLEALTAALQLL SSSTLGAVDTTSIGLTSNSV SKAVAQALA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10887.300 _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 2MAB . "Untangling The Solution Structure Of C-terminal Domain Of Aciniform Spidroin" . . . . . 100.00 109 100.00 100.00 1.03e-65 . . . . 19340 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 . PRO . 19340 1 2 . SER . 19340 1 3 . PHE . 19340 1 4 . GLY . 19340 1 5 . LEU . 19340 1 6 . VAL . 19340 1 7 . LEU . 19340 1 8 . ASN . 19340 1 9 . SER . 19340 1 10 . PRO . 19340 1 11 . ASN . 19340 1 12 . GLY . 19340 1 13 . LEU . 19340 1 14 . ARG . 19340 1 15 . SER . 19340 1 16 . PRO . 19340 1 17 . GLN . 19340 1 18 . ALA . 19340 1 19 . LYS . 19340 1 20 . ALA . 19340 1 21 . ARG . 19340 1 22 . ILE . 19340 1 23 . ASN . 19340 1 24 . ASN . 19340 1 25 . LEU . 19340 1 26 . ALA . 19340 1 27 . SER . 19340 1 28 . ALA . 19340 1 29 . LEU . 19340 1 30 . SER . 19340 1 31 . THR . 19340 1 32 . ALA . 19340 1 33 . VAL . 19340 1 34 . GLY . 19340 1 35 . ARG . 19340 1 36 . ASN . 19340 1 37 . GLY . 19340 1 38 . VAL . 19340 1 39 . ASP . 19340 1 40 . VAL . 19340 1 41 . ASN . 19340 1 42 . ALA . 19340 1 43 . PHE . 19340 1 44 . THR . 19340 1 45 . SER . 19340 1 46 . GLY . 19340 1 47 . LEU . 19340 1 48 . ARG . 19340 1 49 . ALA . 19340 1 50 . THR . 19340 1 51 . LEU . 19340 1 52 . SER . 19340 1 53 . ASN . 19340 1 54 . LEU . 19340 1 55 . GLY . 19340 1 56 . ASP . 19340 1 57 . SER . 19340 1 58 . GLY . 19340 1 59 . MET . 19340 1 60 . SER . 19340 1 61 . PRO . 19340 1 62 . ASN . 19340 1 63 . GLU . 19340 1 64 . ALA . 19340 1 65 . LYS . 19340 1 66 . VAL . 19340 1 67 . GLU . 19340 1 68 . VAL . 19340 1 69 . LEU . 19340 1 70 . LEU . 19340 1 71 . GLU . 19340 1 72 . ALA . 19340 1 73 . LEU . 19340 1 74 . THR . 19340 1 75 . ALA . 19340 1 76 . ALA . 19340 1 77 . LEU . 19340 1 78 . GLN . 19340 1 79 . LEU . 19340 1 80 . LEU . 19340 1 81 . SER . 19340 1 82 . SER . 19340 1 83 . SER . 19340 1 84 . THR . 19340 1 85 . LEU . 19340 1 86 . GLY . 19340 1 87 . ALA . 19340 1 88 . VAL . 19340 1 89 . ASP . 19340 1 90 . THR . 19340 1 91 . THR . 19340 1 92 . SER . 19340 1 93 . ILE . 19340 1 94 . GLY . 19340 1 95 . LEU . 19340 1 96 . THR . 19340 1 97 . SER . 19340 1 98 . ASN . 19340 1 99 . SER . 19340 1 100 . VAL . 19340 1 101 . SER . 19340 1 102 . LYS . 19340 1 103 . ALA . 19340 1 104 . VAL . 19340 1 105 . ALA . 19340 1 106 . GLN . 19340 1 107 . ALA . 19340 1 108 . LEU . 19340 1 109 . ALA . 19340 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 . PRO 1 1 19340 1 . SER 2 2 19340 1 . PHE 3 3 19340 1 . GLY 4 4 19340 1 . LEU 5 5 19340 1 . VAL 6 6 19340 1 . LEU 7 7 19340 1 . ASN 8 8 19340 1 . SER 9 9 19340 1 . PRO 10 10 19340 1 . ASN 11 11 19340 1 . GLY 12 12 19340 1 . LEU 13 13 19340 1 . ARG 14 14 19340 1 . SER 15 15 19340 1 . PRO 16 16 19340 1 . GLN 17 17 19340 1 . ALA 18 18 19340 1 . LYS 19 19 19340 1 . ALA 20 20 19340 1 . ARG 21 21 19340 1 . ILE 22 22 19340 1 . ASN 23 23 19340 1 . ASN 24 24 19340 1 . LEU 25 25 19340 1 . ALA 26 26 19340 1 . SER 27 27 19340 1 . ALA 28 28 19340 1 . LEU 29 29 19340 1 . SER 30 30 19340 1 . THR 31 31 19340 1 . ALA 32 32 19340 1 . VAL 33 33 19340 1 . GLY 34 34 19340 1 . ARG 35 35 19340 1 . ASN 36 36 19340 1 . GLY 37 37 19340 1 . VAL 38 38 19340 1 . ASP 39 39 19340 1 . VAL 40 40 19340 1 . ASN 41 41 19340 1 . ALA 42 42 19340 1 . PHE 43 43 19340 1 . THR 44 44 19340 1 . SER 45 45 19340 1 . GLY 46 46 19340 1 . LEU 47 47 19340 1 . ARG 48 48 19340 1 . ALA 49 49 19340 1 . THR 50 50 19340 1 . LEU 51 51 19340 1 . SER 52 52 19340 1 . ASN 53 53 19340 1 . LEU 54 54 19340 1 . GLY 55 55 19340 1 . ASP 56 56 19340 1 . SER 57 57 19340 1 . GLY 58 58 19340 1 . MET 59 59 19340 1 . SER 60 60 19340 1 . PRO 61 61 19340 1 . ASN 62 62 19340 1 . GLU 63 63 19340 1 . ALA 64 64 19340 1 . LYS 65 65 19340 1 . VAL 66 66 19340 1 . GLU 67 67 19340 1 . VAL 68 68 19340 1 . LEU 69 69 19340 1 . LEU 70 70 19340 1 . GLU 71 71 19340 1 . ALA 72 72 19340 1 . LEU 73 73 19340 1 . THR 74 74 19340 1 . ALA 75 75 19340 1 . ALA 76 76 19340 1 . LEU 77 77 19340 1 . GLN 78 78 19340 1 . LEU 79 79 19340 1 . LEU 80 80 19340 1 . SER 81 81 19340 1 . SER 82 82 19340 1 . SER 83 83 19340 1 . THR 84 84 19340 1 . LEU 85 85 19340 1 . GLY 86 86 19340 1 . ALA 87 87 19340 1 . VAL 88 88 19340 1 . ASP 89 89 19340 1 . THR 90 90 19340 1 . THR 91 91 19340 1 . SER 92 92 19340 1 . ILE 93 93 19340 1 . GLY 94 94 19340 1 . LEU 95 95 19340 1 . THR 96 96 19340 1 . SER 97 97 19340 1 . ASN 98 98 19340 1 . SER 99 99 19340 1 . VAL 100 100 19340 1 . SER 101 101 19340 1 . LYS 102 102 19340 1 . ALA 103 103 19340 1 . VAL 104 104 19340 1 . ALA 105 105 19340 1 . GLN 106 106 19340 1 . ALA 107 107 19340 1 . LEU 108 108 19340 1 . ALA 109 109 19340 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 19340 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 171624 organism . 'Nephila Antipodiana' 'Batik golden web spider' . . Eukaryota Metazoa Nephila Antipodiana . . . . . . . . . . . . . . . . . . . . . 19340 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 19340 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . Pet-32a . . . . . . 19340 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19340 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CTDtrQA '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 2 . . mM . . . . 19340 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19340 1 3 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 19340 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19340 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19340 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19340 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CTDtrQA 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 19340 2 2 CTDtrQA '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 19340 2 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19340 2 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19340 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19340 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 19340 _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' 10 . mM 19340 1 pH 6.0 . pH 19340 1 pressure 1 . atm 19340 1 temperature 298 . K 19340 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19340 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19340 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19340 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19340 _Software.ID 2 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19340 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19340 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19340 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19340 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19340 3 'structure solution' 19340 3 stop_ save_ save_NMRspy _Software.Sf_category software _Software.Sf_framecode NMRspy _Software.Entry_ID 19340 _Software.ID 4 _Software.Name NMRspy _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Xu, Yingqi; Zheng, Yu; Fan, Jing-song; Yang, Daiwen.' . . 19340 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19340 4 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 19340 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19340 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19340 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 19340 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19340 1 2 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19340 1 3 '3D MQ-(H)CCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19340 1 4 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19340 1 5 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19340 1 6 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19340 1 7 '3D 13C,15N-filtered NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19340 1 8 '4D NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19340 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19340 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19340 _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 external direct 1.0 . . . . . . . . . 19340 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct . . . . . . . . . . 19340 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . . . . . 19340 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 19340 _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' 1 $sample_1 . 19340 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 . 19340 1 8 '4D NOESY' 1 $sample_1 . 19340 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 PRO HA H 1 4.478 0.01 . . . . . A 1 PRO HA . 19340 1 2 . 1 1 1 1 PRO HB2 H 1 1.802293 0.01 . . . . . A 1 PRO HB2 . 19340 1 3 . 1 1 1 1 PRO HB3 H 1 2.087155 0.01 . . . . . A 1 PRO HB3 . 19340 1 4 . 1 1 1 1 PRO HG2 H 1 1.874905 0.01 . . . . . A 1 PRO HG2 . 19340 1 5 . 1 1 1 1 PRO HG3 H 1 1.874905 0.01 . . . . . A 1 PRO HG3 . 19340 1 6 . 1 1 1 1 PRO HD2 H 1 3.539389 0.01 . . . . . A 1 PRO HD2 . 19340 1 7 . 1 1 1 1 PRO HD3 H 1 3.539389 0.01 . . . . . A 1 PRO HD3 . 19340 1 8 . 1 1 1 1 PRO CA C 13 63.05 0.3 . . . . . A 1 PRO CA . 19340 1 9 . 1 1 1 1 PRO CB C 13 32.294814 0.3 . . . . . A 1 PRO CB . 19340 1 10 . 1 1 1 1 PRO CG C 13 27.281999 0.3 . . . . . A 1 PRO CG . 19340 1 11 . 1 1 1 1 PRO CD C 13 50.452346 0.3 . . . . . A 1 PRO CD . 19340 1 12 . 1 1 2 2 SER H H 1 8.748 0.01 . . . . . A 2 SER H . 19340 1 13 . 1 1 2 2 SER HA H 1 4.5 0.01 . . . . . A 2 SER HA . 19340 1 14 . 1 1 2 2 SER HB2 H 1 3.847449 0.01 . . . . . A 2 SER HB2 . 19340 1 15 . 1 1 2 2 SER HB3 H 1 3.847449 0.01 . . . . . A 2 SER HB3 . 19340 1 16 . 1 1 2 2 SER CA C 13 58.547 0.3 . . . . . A 2 SER CA . 19340 1 17 . 1 1 2 2 SER CB C 13 63.819853 0.3 . . . . . A 2 SER CB . 19340 1 18 . 1 1 2 2 SER N N 15 117.112 0.3 . . . . . A 2 SER N . 19340 1 19 . 1 1 3 3 PHE H H 1 8.398 0.01 . . . . . A 3 PHE H . 19340 1 20 . 1 1 3 3 PHE HA H 1 4.220822 0.01 . . . . . A 3 PHE HA . 19340 1 21 . 1 1 3 3 PHE HB2 H 1 2.897055 0.01 . . . . . A 3 PHE HB2 . 19340 1 22 . 1 1 3 3 PHE HB3 H 1 3.153988 0.01 . . . . . A 3 PHE HB3 . 19340 1 23 . 1 1 3 3 PHE HD1 H 1 7.108394 0.01 . . . . . A 3 PHE HD1 . 19340 1 24 . 1 1 3 3 PHE HD2 H 1 7.108394 0.01 . . . . . A 3 PHE HD2 . 19340 1 25 . 1 1 3 3 PHE HE1 H 1 7.108394 0.01 . . . . . A 3 PHE HE1 . 19340 1 26 . 1 1 3 3 PHE HE2 H 1 7.108394 0.01 . . . . . A 3 PHE HE2 . 19340 1 27 . 1 1 3 3 PHE HZ H 1 6.915347 0.01 . . . . . A 3 PHE HZ . 19340 1 28 . 1 1 3 3 PHE CA C 13 61.090654 0.3 . . . . . A 3 PHE CA . 19340 1 29 . 1 1 3 3 PHE CB C 13 38.867172 0.3 . . . . . A 3 PHE CB . 19340 1 30 . 1 1 3 3 PHE CD2 C 13 131.174109 0.3 . . . . . A 3 PHE CD2 . 19340 1 31 . 1 1 3 3 PHE CE2 C 13 131.147602 0.3 . . . . . A 3 PHE CE2 . 19340 1 32 . 1 1 3 3 PHE CZ C 13 129.265616 0.3 . . . . . A 3 PHE CZ . 19340 1 33 . 1 1 3 3 PHE N N 15 123.783 0.3 . . . . . A 3 PHE N . 19340 1 34 . 1 1 4 4 GLY H H 1 8.699 0.01 . . . . . A 4 GLY H . 19340 1 35 . 1 1 4 4 GLY HA2 H 1 3.92479 0.01 . . . . . A 4 GLY HA2 . 19340 1 36 . 1 1 4 4 GLY HA3 H 1 3.679027 0.01 . . . . . A 4 GLY HA3 . 19340 1 37 . 1 1 4 4 GLY CA C 13 47.219 0.3 . . . . . A 4 GLY CA . 19340 1 38 . 1 1 4 4 GLY N N 15 106.435497 0.3 . . . . . A 4 GLY N . 19340 1 39 . 1 1 5 5 LEU H H 1 7.59 0.01 . . . . . A 5 LEU H . 19340 1 40 . 1 1 5 5 LEU HA H 1 4.131 0.01 . . . . . A 5 LEU HA . 19340 1 41 . 1 1 5 5 LEU HB2 H 1 1.612386 0.01 . . . . . A 5 LEU HB2 . 19340 1 42 . 1 1 5 5 LEU HB3 H 1 1.796708 0.01 . . . . . A 5 LEU HB3 . 19340 1 43 . 1 1 5 5 LEU HG H 1 1.668241 0.01 . . . . . A 5 LEU HG . 19340 1 44 . 1 1 5 5 LEU HD11 H 1 0.914196 0.01 . . . . . A 5 LEU HD11 . 19340 1 45 . 1 1 5 5 LEU HD12 H 1 0.914196 0.01 . . . . . A 5 LEU HD12 . 19340 1 46 . 1 1 5 5 LEU HD13 H 1 0.914196 0.01 . . . . . A 5 LEU HD13 . 19340 1 47 . 1 1 5 5 LEU HD21 H 1 0.84717 0.01 . . . . . A 5 LEU HD21 . 19340 1 48 . 1 1 5 5 LEU HD22 H 1 0.84717 0.01 . . . . . A 5 LEU HD22 . 19340 1 49 . 1 1 5 5 LEU HD23 H 1 0.84717 0.01 . . . . . A 5 LEU HD23 . 19340 1 50 . 1 1 5 5 LEU CA C 13 57.606 0.3 . . . . . A 5 LEU CA . 19340 1 51 . 1 1 5 5 LEU CB C 13 41.791314 0.3 . . . . . A 5 LEU CB . 19340 1 52 . 1 1 5 5 LEU CG C 13 27.198452 0.3 . . . . . A 5 LEU CG . 19340 1 53 . 1 1 5 5 LEU CD1 C 13 25.360419 0.3 . . . . . A 5 LEU CD1 . 19340 1 54 . 1 1 5 5 LEU CD2 C 13 23.689481 0.3 . . . . . A 5 LEU CD2 . 19340 1 55 . 1 1 5 5 LEU N N 15 121.041 0.3 . . . . . A 5 LEU N . 19340 1 56 . 1 1 6 6 VAL H H 1 7.63 0.01 . . . . . A 6 VAL H . 19340 1 57 . 1 1 6 6 VAL HA H 1 3.701 0.01 . . . . . A 6 VAL HA . 19340 1 58 . 1 1 6 6 VAL HB H 1 2.036885 0.01 . . . . . A 6 VAL HB . 19340 1 59 . 1 1 6 6 VAL HG11 H 1 0.986808 0.01 . . . . . A 6 VAL HG11 . 19340 1 60 . 1 1 6 6 VAL HG12 H 1 0.986808 0.01 . . . . . A 6 VAL HG12 . 19340 1 61 . 1 1 6 6 VAL HG13 H 1 0.986808 0.01 . . . . . A 6 VAL HG13 . 19340 1 62 . 1 1 6 6 VAL HG21 H 1 0.869512 0.01 . . . . . A 6 VAL HG21 . 19340 1 63 . 1 1 6 6 VAL HG22 H 1 0.869512 0.01 . . . . . A 6 VAL HG22 . 19340 1 64 . 1 1 6 6 VAL HG23 H 1 0.869512 0.01 . . . . . A 6 VAL HG23 . 19340 1 65 . 1 1 6 6 VAL CA C 13 65.768 0.3 . . . . . A 6 VAL CA . 19340 1 66 . 1 1 6 6 VAL CB C 13 32.322663 0.3 . . . . . A 6 VAL CB . 19340 1 67 . 1 1 6 6 VAL CG1 C 13 22.770465 0.3 . . . . . A 6 VAL CG1 . 19340 1 68 . 1 1 6 6 VAL CG2 C 13 21.740053 0.3 . . . . . A 6 VAL CG2 . 19340 1 69 . 1 1 6 6 VAL N N 15 118.98 0.3 . . . . . A 6 VAL N . 19340 1 70 . 1 1 7 7 LEU H H 1 8.171 0.01 . . . . . A 7 LEU H . 19340 1 71 . 1 1 7 7 LEU HA H 1 4.26 0.01 . . . . . A 7 LEU HA . 19340 1 72 . 1 1 7 7 LEU HB2 H 1 1.785537 0.01 . . . . . A 7 LEU HB2 . 19340 1 73 . 1 1 7 7 LEU HB3 H 1 1.433649 0.01 . . . . . A 7 LEU HB3 . 19340 1 74 . 1 1 7 7 LEU HG H 1 1.729682 0.01 . . . . . A 7 LEU HG . 19340 1 75 . 1 1 7 7 LEU HD11 H 1 0.891854 0.01 . . . . . A 7 LEU HD11 . 19340 1 76 . 1 1 7 7 LEU HD12 H 1 0.891854 0.01 . . . . . A 7 LEU HD12 . 19340 1 77 . 1 1 7 7 LEU HD13 H 1 0.891854 0.01 . . . . . A 7 LEU HD13 . 19340 1 78 . 1 1 7 7 LEU HD21 H 1 0.903025 0.01 . . . . . A 7 LEU HD21 . 19340 1 79 . 1 1 7 7 LEU HD22 H 1 0.903025 0.01 . . . . . A 7 LEU HD22 . 19340 1 80 . 1 1 7 7 LEU HD23 H 1 0.903025 0.01 . . . . . A 7 LEU HD23 . 19340 1 81 . 1 1 7 7 LEU CA C 13 57.071 0.3 . . . . . A 7 LEU CA . 19340 1 82 . 1 1 7 7 LEU CB C 13 41.791314 0.3 . . . . . A 7 LEU CB . 19340 1 83 . 1 1 7 7 LEU CG C 13 27.281999 0.3 . . . . . A 7 LEU CG . 19340 1 84 . 1 1 7 7 LEU CD1 C 13 25.638909 0.3 . . . . . A 7 LEU CD1 . 19340 1 85 . 1 1 7 7 LEU CD2 C 13 23.410991 0.3 . . . . . A 7 LEU CD2 . 19340 1 86 . 1 1 7 7 LEU N N 15 120.127 0.3 . . . . . A 7 LEU N . 19340 1 87 . 1 1 8 8 ASN H H 1 7.602 0.01 . . . . . A 8 ASN H . 19340 1 88 . 1 1 8 8 ASN HA H 1 4.824 0.01 . . . . . A 8 ASN HA . 19340 1 89 . 1 1 8 8 ASN HB2 H 1 2.651292 0.01 . . . . . A 8 ASN HB2 . 19340 1 90 . 1 1 8 8 ASN HB3 H 1 2.913811 0.01 . . . . . A 8 ASN HB3 . 19340 1 91 . 1 1 8 8 ASN HD21 H 1 7.540206 0.01 . . . . . A 8 ASN HD21 . 19340 1 92 . 1 1 8 8 ASN HD22 H 1 6.863398 0.01 . . . . . A 8 ASN HD22 . 19340 1 93 . 1 1 8 8 ASN CA C 13 52.723 0.3 . . . . . A 8 ASN CA . 19340 1 94 . 1 1 8 8 ASN CB C 13 39.340605 0.3 . . . . . A 8 ASN CB . 19340 1 95 . 1 1 8 8 ASN N N 15 114.592 0.3 . . . . . A 8 ASN N . 19340 1 96 . 1 1 8 8 ASN ND2 N 15 113.200669 0.3 . . . . . A 8 ASN ND2 . 19340 1 97 . 1 1 9 9 SER H H 1 7.186 0.01 . . . . . A 9 SER H . 19340 1 98 . 1 1 9 9 SER HA H 1 4.69 0.01 . . . . . A 9 SER HA . 19340 1 99 . 1 1 9 9 SER HB2 H 1 4.243164 0.01 . . . . . A 9 SER HB2 . 19340 1 100 . 1 1 9 9 SER HB3 H 1 3.595244 0.01 . . . . . A 9 SER HB3 . 19340 1 101 . 1 1 9 9 SER CA C 13 56.675 0.3 . . . . . A 9 SER CA . 19340 1 102 . 1 1 9 9 SER CB C 13 64.209739 0.3 . . . . . A 9 SER CB . 19340 1 103 . 1 1 9 9 SER N N 15 116.029 0.3 . . . . . A 9 SER N . 19340 1 104 . 1 1 10 10 PRO HA H 1 4.439 0.01 . . . . . A 10 PRO HA . 19340 1 105 . 1 1 10 10 PRO HB2 H 1 2.372016 0.01 . . . . . A 10 PRO HB2 . 19340 1 106 . 1 1 10 10 PRO HB3 H 1 1.958688 0.01 . . . . . A 10 PRO HB3 . 19340 1 107 . 1 1 10 10 PRO HG2 H 1 1.986809 0.01 . . . . . A 10 PRO HG2 . 19340 1 108 . 1 1 10 10 PRO HG3 H 1 2.066555 0.01 . . . . . A 10 PRO HG3 . 19340 1 109 . 1 1 10 10 PRO HD2 H 1 3.919204 0.01 . . . . . A 10 PRO HD2 . 19340 1 110 . 1 1 10 10 PRO HD3 H 1 3.919204 0.01 . . . . . A 10 PRO HD3 . 19340 1 111 . 1 1 10 10 PRO CA C 13 64.707 0.3 . . . . . A 10 PRO CA . 19340 1 112 . 1 1 10 10 PRO CB C 13 32.044173 0.3 . . . . . A 10 PRO CB . 19340 1 113 . 1 1 10 10 PRO CG C 13 27.305154 0.3 . . . . . A 10 PRO CG . 19340 1 114 . 1 1 10 10 PRO CD C 13 51.482758 0.3 . . . . . A 10 PRO CD . 19340 1 115 . 1 1 11 11 ASN H H 1 8.149721 0.01 . . . . . A 11 ASN H . 19340 1 116 . 1 1 11 11 ASN HA H 1 5.059 0.01 . . . . . A 11 ASN HA . 19340 1 117 . 1 1 11 11 ASN HB2 H 1 3.019936 0.01 . . . . . A 11 ASN HB2 . 19340 1 118 . 1 1 11 11 ASN HB3 H 1 2.349674 0.01 . . . . . A 11 ASN HB3 . 19340 1 119 . 1 1 11 11 ASN HD21 H 1 7.378866 0.01 . . . . . A 11 ASN HD21 . 19340 1 120 . 1 1 11 11 ASN HD22 H 1 6.91262 0.01 . . . . . A 11 ASN HD22 . 19340 1 121 . 1 1 11 11 ASN CA C 13 52.766 0.3 . . . . . A 11 ASN CA . 19340 1 122 . 1 1 11 11 ASN CB C 13 40.28747 0.3 . . . . . A 11 ASN CB . 19340 1 123 . 1 1 11 11 ASN N N 15 114.702 0.3 . . . . . A 11 ASN N . 19340 1 124 . 1 1 11 11 ASN ND2 N 15 112.918742 0.3 . . . . . A 11 ASN ND2 . 19340 1 125 . 1 1 12 12 GLY H H 1 7.324 0.01 . . . . . A 12 GLY H . 19340 1 126 . 1 1 12 12 GLY HA2 H 1 4.019744 0.01 . . . . . A 12 GLY HA2 . 19340 1 127 . 1 1 12 12 GLY HA3 H 1 3.723711 0.01 . . . . . A 12 GLY HA3 . 19340 1 128 . 1 1 12 12 GLY CA C 13 44.121 0.3 . . . . . A 12 GLY CA . 19340 1 129 . 1 1 12 12 GLY N N 15 122.938019 0.3 . . . . . A 12 GLY N . 19340 1 130 . 1 1 13 13 LEU H H 1 9.253 0.01 . . . . . A 13 LEU H . 19340 1 131 . 1 1 13 13 LEU HA H 1 3.729 0.01 . . . . . A 13 LEU HA . 19340 1 132 . 1 1 13 13 LEU HB2 H 1 1.791122 0.01 . . . . . A 13 LEU HB2 . 19340 1 133 . 1 1 13 13 LEU HB3 H 1 1.416893 0.01 . . . . . A 13 LEU HB3 . 19340 1 134 . 1 1 13 13 LEU HG H 1 1.947517 0.01 . . . . . A 13 LEU HG . 19340 1 135 . 1 1 13 13 LEU HD11 H 1 0.886269 0.01 . . . . . A 13 LEU HD11 . 19340 1 136 . 1 1 13 13 LEU HD12 H 1 0.886269 0.01 . . . . . A 13 LEU HD12 . 19340 1 137 . 1 1 13 13 LEU HD13 H 1 0.886269 0.01 . . . . . A 13 LEU HD13 . 19340 1 138 . 1 1 13 13 LEU HD21 H 1 0.7969 0.01 . . . . . A 13 LEU HD21 . 19340 1 139 . 1 1 13 13 LEU HD22 H 1 0.7969 0.01 . . . . . A 13 LEU HD22 . 19340 1 140 . 1 1 13 13 LEU HD23 H 1 0.7969 0.01 . . . . . A 13 LEU HD23 . 19340 1 141 . 1 1 13 13 LEU CA C 13 58.02 0.3 . . . . . A 13 LEU CA . 19340 1 142 . 1 1 13 13 LEU CB C 13 43.685045 0.3 . . . . . A 13 LEU CB . 19340 1 143 . 1 1 13 13 LEU CG C 13 26.69717 0.3 . . . . . A 13 LEU CG . 19340 1 144 . 1 1 13 13 LEU CD1 C 13 25.443966 0.3 . . . . . A 13 LEU CD1 . 19340 1 145 . 1 1 13 13 LEU CD2 C 13 24.719893 0.3 . . . . . A 13 LEU CD2 . 19340 1 146 . 1 1 13 13 LEU N N 15 124.662 0.3 . . . . . A 13 LEU N . 19340 1 147 . 1 1 14 14 ARG H H 1 8.168 0.01 . . . . . A 14 ARG H . 19340 1 148 . 1 1 14 14 ARG HA H 1 4.288 0.01 . . . . . A 14 ARG HA . 19340 1 149 . 1 1 14 14 ARG HB2 H 1 1.975444 0.01 . . . . . A 14 ARG HB2 . 19340 1 150 . 1 1 14 14 ARG HB3 H 1 1.70734 0.01 . . . . . A 14 ARG HB3 . 19340 1 151 . 1 1 14 14 ARG HG2 H 1 1.612386 0.01 . . . . . A 14 ARG HG2 . 19340 1 152 . 1 1 14 14 ARG HG3 H 1 1.612386 0.01 . . . . . A 14 ARG HG3 . 19340 1 153 . 1 1 14 14 ARG HD2 H 1 3.198673 0.01 . . . . . A 14 ARG HD2 . 19340 1 154 . 1 1 14 14 ARG HD3 H 1 3.198673 0.01 . . . . . A 14 ARG HD3 . 19340 1 155 . 1 1 14 14 ARG HE H 1 7.116346 0.01 . . . . . A 14 ARG HE . 19340 1 156 . 1 1 14 14 ARG CA C 13 56.39 0.3 . . . . . A 14 ARG CA . 19340 1 157 . 1 1 14 14 ARG CB C 13 30.039047 0.3 . . . . . A 14 ARG CB . 19340 1 158 . 1 1 14 14 ARG CG C 13 27.588337 0.3 . . . . . A 14 ARG CG . 19340 1 159 . 1 1 14 14 ARG CD C 13 43.991383 0.3 . . . . . A 14 ARG CD . 19340 1 160 . 1 1 14 14 ARG N N 15 113.070549 0.3 . . . . . A 14 ARG N . 19340 1 161 . 1 1 14 14 ARG NE N 15 84.747657 0.3 . . . . . A 14 ARG NE . 19340 1 162 . 1 1 15 15 SER H H 1 8.264 0.01 . . . . . A 15 SER H . 19340 1 163 . 1 1 15 15 SER HA H 1 4.69 0.01 . . . . . A 15 SER HA . 19340 1 164 . 1 1 15 15 SER HB2 H 1 4.433072 0.01 . . . . . A 15 SER HB2 . 19340 1 165 . 1 1 15 15 SER HB3 H 1 4.0365 0.01 . . . . . A 15 SER HB3 . 19340 1 166 . 1 1 15 15 SER CA C 13 57.52 0.3 . . . . . A 15 SER CA . 19340 1 167 . 1 1 15 15 SER CB C 13 65.462943 0.3 . . . . . A 15 SER CB . 19340 1 168 . 1 1 15 15 SER N N 15 118.055 0.3 . . . . . A 15 SER N . 19340 1 169 . 1 1 16 16 PRO HA H 1 4.377217 0.01 . . . . . A 16 PRO HA . 19340 1 170 . 1 1 16 16 PRO HB2 H 1 1.964273 0.01 . . . . . A 16 PRO HB2 . 19340 1 171 . 1 1 16 16 PRO HB3 H 1 2.4167 0.01 . . . . . A 16 PRO HB3 . 19340 1 172 . 1 1 16 16 PRO HG2 H 1 2.107879 0.01 . . . . . A 16 PRO HG2 . 19340 1 173 . 1 1 16 16 PRO HG3 H 1 2.204754 0.01 . . . . . A 16 PRO HG3 . 19340 1 174 . 1 1 16 16 PRO HD2 H 1 4.008573 0.01 . . . . . A 16 PRO HD2 . 19340 1 175 . 1 1 16 16 PRO HD3 H 1 4.008573 0.01 . . . . . A 16 PRO HD3 . 19340 1 176 . 1 1 16 16 PRO CA C 13 65.354 0.3 . . . . . A 16 PRO CA . 19340 1 177 . 1 1 16 16 PRO CB C 13 31.765684 0.3 . . . . . A 16 PRO CB . 19340 1 178 . 1 1 16 16 PRO CG C 13 27.916468 0.3 . . . . . A 16 PRO CG . 19340 1 179 . 1 1 16 16 PRO CD C 13 50.730835 0.3 . . . . . A 16 PRO CD . 19340 1 180 . 1 1 17 17 GLN H H 1 8.661 0.01 . . . . . A 17 GLN H . 19340 1 181 . 1 1 17 17 GLN HA H 1 4.115 0.01 . . . . . A 17 GLN HA . 19340 1 182 . 1 1 17 17 GLN HB2 H 1 2.131839 0.01 . . . . . A 17 GLN HB2 . 19340 1 183 . 1 1 17 17 GLN HB3 H 1 2.131839 0.01 . . . . . A 17 GLN HB3 . 19340 1 184 . 1 1 17 17 GLN HG2 H 1 2.634535 0.01 . . . . . A 17 GLN HG2 . 19340 1 185 . 1 1 17 17 GLN HG3 H 1 2.444628 0.01 . . . . . A 17 GLN HG3 . 19340 1 186 . 1 1 17 17 GLN HE21 H 1 7.538839 0.01 . . . . . A 17 GLN HE21 . 19340 1 187 . 1 1 17 17 GLN HE22 H 1 6.863398 0.01 . . . . . A 17 GLN HE22 . 19340 1 188 . 1 1 17 17 GLN CA C 13 59.271 0.3 . . . . . A 17 GLN CA . 19340 1 189 . 1 1 17 17 GLN CB C 13 27.893677 0.3 . . . . . A 17 GLN CB . 19340 1 190 . 1 1 17 17 GLN CG C 13 34.745524 0.3 . . . . . A 17 GLN CG . 19340 1 191 . 1 1 17 17 GLN N N 15 117.374 0.3 . . . . . A 17 GLN N . 19340 1 192 . 1 1 17 17 GLN NE2 N 15 111.856091 0.3 . . . . . A 17 GLN NE2 . 19340 1 193 . 1 1 18 18 ALA H H 1 7.785 0.01 . . . . . A 18 ALA H . 19340 1 194 . 1 1 18 18 ALA HA H 1 3.869 0.01 . . . . . A 18 ALA HA . 19340 1 195 . 1 1 18 18 ALA HB1 H 1 1.338695 0.01 . . . . . A 18 ALA HB1 . 19340 1 196 . 1 1 18 18 ALA HB2 H 1 1.338695 0.01 . . . . . A 18 ALA HB2 . 19340 1 197 . 1 1 18 18 ALA HB3 H 1 1.338695 0.01 . . . . . A 18 ALA HB3 . 19340 1 198 . 1 1 18 18 ALA CA C 13 55.389 0.3 . . . . . A 18 ALA CA . 19340 1 199 . 1 1 18 18 ALA CB C 13 19.317192 0.3 . . . . . A 18 ALA CB . 19340 1 200 . 1 1 18 18 ALA N N 15 122.904 0.3 . . . . . A 18 ALA N . 19340 1 201 . 1 1 19 19 LYS H H 1 7.41 0.01 . . . . . A 19 LYS H . 19340 1 202 . 1 1 19 19 LYS HA H 1 3.752 0.01 . . . . . A 19 LYS HA . 19340 1 203 . 1 1 19 19 LYS HB2 H 1 1.872488 0.01 . . . . . A 19 LYS HB2 . 19340 1 204 . 1 1 19 19 LYS HB3 H 1 1.934087 0.01 . . . . . A 19 LYS HB3 . 19340 1 205 . 1 1 19 19 LYS HG2 H 1 1.455991 0.01 . . . . . A 19 LYS HG2 . 19340 1 206 . 1 1 19 19 LYS HG3 H 1 1.317198 0.01 . . . . . A 19 LYS HG3 . 19340 1 207 . 1 1 19 19 LYS HD2 H 1 1.679412 0.01 . . . . . A 19 LYS HD2 . 19340 1 208 . 1 1 19 19 LYS HD3 H 1 1.679412 0.01 . . . . . A 19 LYS HD3 . 19340 1 209 . 1 1 19 19 LYS HE2 H 1 2.958495 0.01 . . . . . A 19 LYS HE2 . 19340 1 210 . 1 1 19 19 LYS HE3 H 1 2.958495 0.01 . . . . . A 19 LYS HE3 . 19340 1 211 . 1 1 19 19 LYS CA C 13 60.73 0.3 . . . . . A 19 LYS CA . 19340 1 212 . 1 1 19 19 LYS CB C 13 31.59859 0.3 . . . . . A 19 LYS CB . 19340 1 213 . 1 1 19 19 LYS CG C 13 25.358916 0.3 . . . . . A 19 LYS CG . 19340 1 214 . 1 1 19 19 LYS CD C 13 29.704859 0.3 . . . . . A 19 LYS CD . 19340 1 215 . 1 1 19 19 LYS CE C 13 42.376143 0.3 . . . . . A 19 LYS CE . 19340 1 216 . 1 1 19 19 LYS N N 15 116.947 0.3 . . . . . A 19 LYS N . 19340 1 217 . 1 1 20 20 ALA H H 1 7.362 0.01 . . . . . A 20 ALA H . 19340 1 218 . 1 1 20 20 ALA HA H 1 4.171 0.01 . . . . . A 20 ALA HA . 19340 1 219 . 1 1 20 20 ALA HB1 H 1 1.467162 0.01 . . . . . A 20 ALA HB1 . 19340 1 220 . 1 1 20 20 ALA HB2 H 1 1.467162 0.01 . . . . . A 20 ALA HB2 . 19340 1 221 . 1 1 20 20 ALA HB3 H 1 1.467162 0.01 . . . . . A 20 ALA HB3 . 19340 1 222 . 1 1 20 20 ALA CA C 13 55.009 0.3 . . . . . A 20 ALA CA . 19340 1 223 . 1 1 20 20 ALA CB C 13 18.28678 0.3 . . . . . A 20 ALA CB . 19340 1 224 . 1 1 20 20 ALA N N 15 119.887 0.3 . . . . . A 20 ALA N . 19340 1 225 . 1 1 21 21 ARG H H 1 7.502 0.01 . . . . . A 21 ARG H . 19340 1 226 . 1 1 21 21 ARG HA H 1 4.048 0.01 . . . . . A 21 ARG HA . 19340 1 227 . 1 1 21 21 ARG HB2 H 1 2.277062 0.01 . . . . . A 21 ARG HB2 . 19340 1 228 . 1 1 21 21 ARG HB3 H 1 1.785537 0.01 . . . . . A 21 ARG HB3 . 19340 1 229 . 1 1 21 21 ARG HG2 H 1 1.863734 0.01 . . . . . A 21 ARG HG2 . 19340 1 230 . 1 1 21 21 ARG HG3 H 1 1.467162 0.01 . . . . . A 21 ARG HG3 . 19340 1 231 . 1 1 21 21 ARG HD2 H 1 3.494705 0.01 . . . . . A 21 ARG HD2 . 19340 1 232 . 1 1 21 21 ARG HD3 H 1 3.081377 0.01 . . . . . A 21 ARG HD3 . 19340 1 233 . 1 1 21 21 ARG HE H 1 10.091568 0.01 . . . . . A 21 ARG HE . 19340 1 234 . 1 1 21 21 ARG CA C 13 60.592 0.3 . . . . . A 21 ARG CA . 19340 1 235 . 1 1 21 21 ARG CB C 13 32.016324 0.3 . . . . . A 21 ARG CB . 19340 1 236 . 1 1 21 21 ARG CG C 13 29.509917 0.3 . . . . . A 21 ARG CG . 19340 1 237 . 1 1 21 21 ARG CD C 13 43.629347 0.3 . . . . . A 21 ARG CD . 19340 1 238 . 1 1 21 21 ARG N N 15 118.182 0.3 . . . . . A 21 ARG N . 19340 1 239 . 1 1 21 21 ARG NE N 15 85.007898 0.3 . . . . . A 21 ARG NE . 19340 1 240 . 1 1 22 22 ILE H H 1 9.258 0.01 . . . . . A 22 ILE H . 19340 1 241 . 1 1 22 22 ILE HA H 1 3.545 0.01 . . . . . A 22 ILE HA . 19340 1 242 . 1 1 22 22 ILE HB H 1 1.802293 0.01 . . . . . A 22 ILE HB . 19340 1 243 . 1 1 22 22 ILE HG12 H 1 1.858149 0.01 . . . . . A 22 ILE HG12 . 19340 1 244 . 1 1 22 22 ILE HG13 H 1 1.020321 0.01 . . . . . A 22 ILE HG13 . 19340 1 245 . 1 1 22 22 ILE HG21 H 1 0.741045 0.01 . . . . . A 22 ILE HG21 . 19340 1 246 . 1 1 22 22 ILE HG22 H 1 0.741045 0.01 . . . . . A 22 ILE HG22 . 19340 1 247 . 1 1 22 22 ILE HG23 H 1 0.741045 0.01 . . . . . A 22 ILE HG23 . 19340 1 248 . 1 1 22 22 ILE HD11 H 1 0.791315 0.01 . . . . . A 22 ILE HD11 . 19340 1 249 . 1 1 22 22 ILE HD12 H 1 0.791315 0.01 . . . . . A 22 ILE HD12 . 19340 1 250 . 1 1 22 22 ILE HD13 H 1 0.791315 0.01 . . . . . A 22 ILE HD13 . 19340 1 251 . 1 1 22 22 ILE CA C 13 66.01 0.3 . . . . . A 22 ILE CA . 19340 1 252 . 1 1 22 22 ILE CB C 13 38.003854 0.3 . . . . . A 22 ILE CB . 19340 1 253 . 1 1 22 22 ILE CG1 C 13 30.122594 0.3 . . . . . A 22 ILE CG1 . 19340 1 254 . 1 1 22 22 ILE CG2 C 13 17.646253 0.3 . . . . . A 22 ILE CG2 . 19340 1 255 . 1 1 22 22 ILE CD1 C 13 14.722111 0.3 . . . . . A 22 ILE CD1 . 19340 1 256 . 1 1 22 22 ILE N N 15 122.484 0.3 . . . . . A 22 ILE N . 19340 1 257 . 1 1 23 23 ASN H H 1 8.395 0.01 . . . . . A 23 ASN H . 19340 1 258 . 1 1 23 23 ASN HA H 1 4.277 0.01 . . . . . A 23 ASN HA . 19340 1 259 . 1 1 23 23 ASN HB2 H 1 2.919397 0.01 . . . . . A 23 ASN HB2 . 19340 1 260 . 1 1 23 23 ASN HB3 H 1 2.707147 0.01 . . . . . A 23 ASN HB3 . 19340 1 261 . 1 1 23 23 ASN HD21 H 1 7.397426 0.01 . . . . . A 23 ASN HD21 . 19340 1 262 . 1 1 23 23 ASN HD22 H 1 6.680271 0.01 . . . . . A 23 ASN HD22 . 19340 1 263 . 1 1 23 23 ASN CA C 13 57.158 0.3 . . . . . A 23 ASN CA . 19340 1 264 . 1 1 23 23 ASN CB C 13 38.950719 0.3 . . . . . A 23 ASN CB . 19340 1 265 . 1 1 23 23 ASN N N 15 119.721 0.3 . . . . . A 23 ASN N . 19340 1 266 . 1 1 23 23 ASN ND2 N 15 111.241141 0.3 . . . . . A 23 ASN ND2 . 19340 1 267 . 1 1 24 24 ASN H H 1 8.002 0.01 . . . . . A 24 ASN H . 19340 1 268 . 1 1 24 24 ASN HA H 1 4.495 0.01 . . . . . A 24 ASN HA . 19340 1 269 . 1 1 24 24 ASN HB2 H 1 2.854747 0.01 . . . . . A 24 ASN HB2 . 19340 1 270 . 1 1 24 24 ASN HB3 H 1 2.78104 0.01 . . . . . A 24 ASN HB3 . 19340 1 271 . 1 1 24 24 ASN HD21 H 1 7.627712 0.01 . . . . . A 24 ASN HD21 . 19340 1 272 . 1 1 24 24 ASN HD22 H 1 6.939966 0.01 . . . . . A 24 ASN HD22 . 19340 1 273 . 1 1 24 24 ASN CA C 13 56.459 0.3 . . . . . A 24 ASN CA . 19340 1 274 . 1 1 24 24 ASN CB C 13 37.953539 0.3 . . . . . A 24 ASN CB . 19340 1 275 . 1 1 24 24 ASN N N 15 117.554 0.3 . . . . . A 24 ASN N . 19340 1 276 . 1 1 24 24 ASN ND2 N 15 111.791031 0.3 . . . . . A 24 ASN ND2 . 19340 1 277 . 1 1 25 25 LEU H H 1 8.235 0.01 . . . . . A 25 LEU H . 19340 1 278 . 1 1 25 25 LEU HA H 1 4.154 0.01 . . . . . A 25 LEU HA . 19340 1 279 . 1 1 25 25 LEU HB2 H 1 1.355452 0.01 . . . . . A 25 LEU HB2 . 19340 1 280 . 1 1 25 25 LEU HB3 H 1 1.846978 0.01 . . . . . A 25 LEU HB3 . 19340 1 281 . 1 1 25 25 LEU HG H 1 1.562116 0.01 . . . . . A 25 LEU HG . 19340 1 282 . 1 1 25 25 LEU HD11 H 1 0.869512 0.01 . . . . . A 25 LEU HD11 . 19340 1 283 . 1 1 25 25 LEU HD12 H 1 0.869512 0.01 . . . . . A 25 LEU HD12 . 19340 1 284 . 1 1 25 25 LEU HD13 H 1 0.869512 0.01 . . . . . A 25 LEU HD13 . 19340 1 285 . 1 1 25 25 LEU HD21 H 1 0.785729 0.01 . . . . . A 25 LEU HD21 . 19340 1 286 . 1 1 25 25 LEU HD22 H 1 0.785729 0.01 . . . . . A 25 LEU HD22 . 19340 1 287 . 1 1 25 25 LEU HD23 H 1 0.785729 0.01 . . . . . A 25 LEU HD23 . 19340 1 288 . 1 1 25 25 LEU CA C 13 57.917 0.3 . . . . . A 25 LEU CA . 19340 1 289 . 1 1 25 25 LEU CB C 13 42.933122 0.3 . . . . . A 25 LEU CB . 19340 1 290 . 1 1 25 25 LEU CG C 13 27.644035 0.3 . . . . . A 25 LEU CG . 19340 1 291 . 1 1 25 25 LEU CD1 C 13 25.833852 0.3 . . . . . A 25 LEU CD1 . 19340 1 292 . 1 1 25 25 LEU CD2 C 13 23.967971 0.3 . . . . . A 25 LEU CD2 . 19340 1 293 . 1 1 25 25 LEU N N 15 123.367 0.3 . . . . . A 25 LEU N . 19340 1 294 . 1 1 26 26 ALA H H 1 9.068 0.01 . . . . . A 26 ALA H . 19340 1 295 . 1 1 26 26 ALA HA H 1 3.869 0.01 . . . . . A 26 ALA HA . 19340 1 296 . 1 1 26 26 ALA HB1 H 1 1.44482 0.01 . . . . . A 26 ALA HB1 . 19340 1 297 . 1 1 26 26 ALA HB2 H 1 1.44482 0.01 . . . . . A 26 ALA HB2 . 19340 1 298 . 1 1 26 26 ALA HB3 H 1 1.44482 0.01 . . . . . A 26 ALA HB3 . 19340 1 299 . 1 1 26 26 ALA CA C 13 55.708 0.3 . . . . . A 26 ALA CA . 19340 1 300 . 1 1 26 26 ALA CB C 13 16.950029 0.3 . . . . . A 26 ALA CB . 19340 1 301 . 1 1 26 26 ALA N N 15 123.137 0.3 . . . . . A 26 ALA N . 19340 1 302 . 1 1 27 27 SER H H 1 8.004 0.01 . . . . . A 27 SER H . 19340 1 303 . 1 1 27 27 SER HA H 1 4.182 0.01 . . . . . A 27 SER HA . 19340 1 304 . 1 1 27 27 SER HB2 H 1 4.033115 0.01 . . . . . A 27 SER HB2 . 19340 1 305 . 1 1 27 27 SER HB3 H 1 3.87452 0.01 . . . . . A 27 SER HB3 . 19340 1 306 . 1 1 27 27 SER CA C 13 62.075 0.3 . . . . . A 27 SER CA . 19340 1 307 . 1 1 27 27 SER CB C 13 62.928686 0.3 . . . . . A 27 SER CB . 19340 1 308 . 1 1 27 27 SER N N 15 113.809 0.3 . . . . . A 27 SER N . 19340 1 309 . 1 1 28 28 ALA H H 1 7.97 0.01 . . . . . A 28 ALA H . 19340 1 310 . 1 1 28 28 ALA HA H 1 4.204 0.01 . . . . . A 28 ALA HA . 19340 1 311 . 1 1 28 28 ALA HB1 H 1 1.517432 0.01 . . . . . A 28 ALA HB1 . 19340 1 312 . 1 1 28 28 ALA HB2 H 1 1.517432 0.01 . . . . . A 28 ALA HB2 . 19340 1 313 . 1 1 28 28 ALA HB3 H 1 1.517432 0.01 . . . . . A 28 ALA HB3 . 19340 1 314 . 1 1 28 28 ALA CA C 13 55.26 0.3 . . . . . A 28 ALA CA . 19340 1 315 . 1 1 28 28 ALA CB C 13 17.701951 0.3 . . . . . A 28 ALA CB . 19340 1 316 . 1 1 28 28 ALA N N 15 124.782 0.3 . . . . . A 28 ALA N . 19340 1 317 . 1 1 29 29 LEU H H 1 8.960334 0.01 . . . . . A 29 LEU H . 19340 1 318 . 1 1 29 29 LEU HA H 1 3.824 0.01 . . . . . A 29 LEU HA . 19340 1 319 . 1 1 29 29 LEU HB2 H 1 1.903601 0.01 . . . . . A 29 LEU HB2 . 19340 1 320 . 1 1 29 29 LEU HB3 H 1 1.020321 0.01 . . . . . A 29 LEU HB3 . 19340 1 321 . 1 1 29 29 LEU HG H 1 1.796708 0.01 . . . . . A 29 LEU HG . 19340 1 322 . 1 1 29 29 LEU HD11 H 1 0.629335 0.01 . . . . . A 29 LEU HD11 . 19340 1 323 . 1 1 29 29 LEU HD12 H 1 0.629335 0.01 . . . . . A 29 LEU HD12 . 19340 1 324 . 1 1 29 29 LEU HD13 H 1 0.629335 0.01 . . . . . A 29 LEU HD13 . 19340 1 325 . 1 1 29 29 LEU HD21 H 1 0.433842 0.01 . . . . . A 29 LEU HD21 . 19340 1 326 . 1 1 29 29 LEU HD22 H 1 0.433842 0.01 . . . . . A 29 LEU HD22 . 19340 1 327 . 1 1 29 29 LEU HD23 H 1 0.433842 0.01 . . . . . A 29 LEU HD23 . 19340 1 328 . 1 1 29 29 LEU CA C 13 57.995 0.3 . . . . . A 29 LEU CA . 19340 1 329 . 1 1 29 29 LEU CB C 13 42.52601 0.3 . . . . . A 29 LEU CB . 19340 1 330 . 1 1 29 29 LEU CG C 13 26.892113 0.3 . . . . . A 29 LEU CG . 19340 1 331 . 1 1 29 29 LEU CD1 C 13 25.360419 0.3 . . . . . A 29 LEU CD1 . 19340 1 332 . 1 1 29 29 LEU CD2 C 13 23.383142 0.3 . . . . . A 29 LEU CD2 . 19340 1 333 . 1 1 29 29 LEU N N 15 117.907 0.3 . . . . . A 29 LEU N . 19340 1 334 . 1 1 30 30 SER H H 1 7.951 0.01 . . . . . A 30 SER H . 19340 1 335 . 1 1 30 30 SER HA H 1 4.076 0.01 . . . . . A 30 SER HA . 19340 1 336 . 1 1 30 30 SER HB2 H 1 4.019744 0.01 . . . . . A 30 SER HB2 . 19340 1 337 . 1 1 30 30 SER HB3 H 1 4.019744 0.01 . . . . . A 30 SER HB3 . 19340 1 338 . 1 1 30 30 SER CA C 13 61.998 0.3 . . . . . A 30 SER CA . 19340 1 339 . 1 1 30 30 SER CB C 13 63.012233 0.3 . . . . . A 30 SER CB . 19340 1 340 . 1 1 30 30 SER N N 15 112.859 0.3 . . . . . A 30 SER N . 19340 1 341 . 1 1 31 31 THR H H 1 7.164 0.01 . . . . . A 31 THR H . 19340 1 342 . 1 1 31 31 THR HA H 1 4.472 0.01 . . . . . A 31 THR HA . 19340 1 343 . 1 1 31 31 THR HB H 1 4.332533 0.01 . . . . . A 31 THR HB . 19340 1 344 . 1 1 31 31 THR HG21 H 1 1.199058 0.01 . . . . . A 31 THR HG21 . 19340 1 345 . 1 1 31 31 THR HG22 H 1 1.199058 0.01 . . . . . A 31 THR HG22 . 19340 1 346 . 1 1 31 31 THR HG23 H 1 1.199058 0.01 . . . . . A 31 THR HG23 . 19340 1 347 . 1 1 31 31 THR CA C 13 62.731 0.3 . . . . . A 31 THR CA . 19340 1 348 . 1 1 31 31 THR CB C 13 69.361799 0.3 . . . . . A 31 THR CB . 19340 1 349 . 1 1 31 31 THR CG2 C 13 22.018542 0.3 . . . . . A 31 THR CG2 . 19340 1 350 . 1 1 31 31 THR N N 15 109.8204 0.3 . . . . . A 31 THR N . 19340 1 351 . 1 1 32 32 ALA H H 1 7.997 0.01 . . . . . A 32 ALA H . 19340 1 352 . 1 1 32 32 ALA HA H 1 4.427 0.01 . . . . . A 32 ALA HA . 19340 1 353 . 1 1 32 32 ALA HB1 H 1 1.428064 0.01 . . . . . A 32 ALA HB1 . 19340 1 354 . 1 1 32 32 ALA HB2 H 1 1.428064 0.01 . . . . . A 32 ALA HB2 . 19340 1 355 . 1 1 32 32 ALA HB3 H 1 1.428064 0.01 . . . . . A 32 ALA HB3 . 19340 1 356 . 1 1 32 32 ALA CA C 13 53.085 0.3 . . . . . A 32 ALA CA . 19340 1 357 . 1 1 32 32 ALA CB C 13 20.626094 0.3 . . . . . A 32 ALA CB . 19340 1 358 . 1 1 32 32 ALA N N 15 122.926 0.3 . . . . . A 32 ALA N . 19340 1 359 . 1 1 33 33 VAL H H 1 7.55 0.01 . . . . . A 33 VAL H . 19340 1 360 . 1 1 33 33 VAL HA H 1 4.461 0.01 . . . . . A 33 VAL HA . 19340 1 361 . 1 1 33 33 VAL HB H 1 1.964273 0.01 . . . . . A 33 VAL HB . 19340 1 362 . 1 1 33 33 VAL HG11 H 1 0.763387 0.01 . . . . . A 33 VAL HG11 . 19340 1 363 . 1 1 33 33 VAL HG12 H 1 0.763387 0.01 . . . . . A 33 VAL HG12 . 19340 1 364 . 1 1 33 33 VAL HG13 H 1 0.763387 0.01 . . . . . A 33 VAL HG13 . 19340 1 365 . 1 1 33 33 VAL HG21 H 1 0.763387 0.01 . . . . . A 33 VAL HG21 . 19340 1 366 . 1 1 33 33 VAL HG22 H 1 0.763387 0.01 . . . . . A 33 VAL HG22 . 19340 1 367 . 1 1 33 33 VAL HG23 H 1 0.763387 0.01 . . . . . A 33 VAL HG23 . 19340 1 368 . 1 1 33 33 VAL CA C 13 61.601 0.3 . . . . . A 33 VAL CA . 19340 1 369 . 1 1 33 33 VAL CB C 13 32.629002 0.3 . . . . . A 33 VAL CB . 19340 1 370 . 1 1 33 33 VAL CG1 C 13 21.990693 0.3 . . . . . A 33 VAL CG1 . 19340 1 371 . 1 1 33 33 VAL N N 15 116.339 0.3 . . . . . A 33 VAL N . 19340 1 372 . 1 1 34 34 GLY H H 1 7.886 0.01 . . . . . A 34 GLY H . 19340 1 373 . 1 1 34 34 GLY HA2 H 1 4.433072 0.01 . . . . . A 34 GLY HA2 . 19340 1 374 . 1 1 34 34 GLY HA3 H 1 4.047671 0.01 . . . . . A 34 GLY HA3 . 19340 1 375 . 1 1 34 34 GLY CA C 13 45.269 0.3 . . . . . A 34 GLY CA . 19340 1 376 . 1 1 34 34 GLY N N 15 113.113923 0.3 . . . . . A 34 GLY N . 19340 1 377 . 1 1 35 35 ARG H H 1 8.773 0.01 . . . . . A 35 ARG H . 19340 1 378 . 1 1 35 35 ARG HA H 1 4.383 0.01 . . . . . A 35 ARG HA . 19340 1 379 . 1 1 35 35 ARG HB2 H 1 1.841392 0.01 . . . . . A 35 ARG HB2 . 19340 1 380 . 1 1 35 35 ARG HB3 H 1 1.841392 0.01 . . . . . A 35 ARG HB3 . 19340 1 381 . 1 1 35 35 ARG HG2 H 1 1.724096 0.01 . . . . . A 35 ARG HG2 . 19340 1 382 . 1 1 35 35 ARG HG3 H 1 1.724096 0.01 . . . . . A 35 ARG HG3 . 19340 1 383 . 1 1 35 35 ARG HD2 H 1 3.28587 0.01 . . . . . A 35 ARG HD2 . 19340 1 384 . 1 1 35 35 ARG HD3 H 1 3.230562 0.01 . . . . . A 35 ARG HD3 . 19340 1 385 . 1 1 35 35 ARG HE H 1 7.188813 0.01 . . . . . A 35 ARG HE . 19340 1 386 . 1 1 35 35 ARG CA C 13 57.9 0.3 . . . . . A 35 ARG CA . 19340 1 387 . 1 1 35 35 ARG CB C 13 29.871953 0.3 . . . . . A 35 ARG CB . 19340 1 388 . 1 1 35 35 ARG CG C 13 26.836415 0.3 . . . . . A 35 ARG CG . 19340 1 389 . 1 1 35 35 ARG CD C 13 43.152089 0.3 . . . . . A 35 ARG CD . 19340 1 390 . 1 1 35 35 ARG N N 15 120.709 0.3 . . . . . A 35 ARG N . 19340 1 391 . 1 1 35 35 ARG NE N 15 84.704283 0.3 . . . . . A 35 ARG NE . 19340 1 392 . 1 1 36 36 ASN H H 1 8.628 0.01 . . . . . A 36 ASN H . 19340 1 393 . 1 1 36 36 ASN HA H 1 4.824 0.01 . . . . . A 36 ASN HA . 19340 1 394 . 1 1 36 36 ASN HB2 H 1 2.919397 0.01 . . . . . A 36 ASN HB2 . 19340 1 395 . 1 1 36 36 ASN HB3 H 1 2.712733 0.01 . . . . . A 36 ASN HB3 . 19340 1 396 . 1 1 36 36 ASN HD21 H 1 7.556613 0.01 . . . . . A 36 ASN HD21 . 19340 1 397 . 1 1 36 36 ASN HD22 H 1 6.857929 0.01 . . . . . A 36 ASN HD22 . 19340 1 398 . 1 1 36 36 ASN CA C 13 53.094 0.3 . . . . . A 36 ASN CA . 19340 1 399 . 1 1 36 36 ASN CB C 13 38.616531 0.3 . . . . . A 36 ASN CB . 19340 1 400 . 1 1 36 36 ASN N N 15 114.578 0.3 . . . . . A 36 ASN N . 19340 1 401 . 1 1 36 36 ASN ND2 N 15 112.831995 0.3 . . . . . A 36 ASN ND2 . 19340 1 402 . 1 1 37 37 GLY H H 1 7.88 0.01 . . . . . A 37 GLY H . 19340 1 403 . 1 1 37 37 GLY HA2 H 1 4.433072 0.01 . . . . . A 37 GLY HA2 . 19340 1 404 . 1 1 37 37 GLY HA3 H 1 3.746053 0.01 . . . . . A 37 GLY HA3 . 19340 1 405 . 1 1 37 37 GLY CA C 13 44.717 0.3 . . . . . A 37 GLY CA . 19340 1 406 . 1 1 37 37 GLY N N 15 108.462 0.3 . . . . . A 37 GLY N . 19340 1 407 . 1 1 38 38 VAL H H 1 8.565 0.01 . . . . . A 38 VAL H . 19340 1 408 . 1 1 38 38 VAL HA H 1 4.377 0.01 . . . . . A 38 VAL HA . 19340 1 409 . 1 1 38 38 VAL HB H 1 1.925175 0.01 . . . . . A 38 VAL HB . 19340 1 410 . 1 1 38 38 VAL HG11 H 1 0.802486 0.01 . . . . . A 38 VAL HG11 . 19340 1 411 . 1 1 38 38 VAL HG12 H 1 0.802486 0.01 . . . . . A 38 VAL HG12 . 19340 1 412 . 1 1 38 38 VAL HG13 H 1 0.802486 0.01 . . . . . A 38 VAL HG13 . 19340 1 413 . 1 1 38 38 VAL HG21 H 1 0.551138 0.01 . . . . . A 38 VAL HG21 . 19340 1 414 . 1 1 38 38 VAL HG22 H 1 0.551138 0.01 . . . . . A 38 VAL HG22 . 19340 1 415 . 1 1 38 38 VAL HG23 H 1 0.551138 0.01 . . . . . A 38 VAL HG23 . 19340 1 416 . 1 1 38 38 VAL CA C 13 61.066 0.3 . . . . . A 38 VAL CA . 19340 1 417 . 1 1 38 38 VAL CB C 13 33.77081 0.3 . . . . . A 38 VAL CB . 19340 1 418 . 1 1 38 38 VAL CG1 C 13 22.134572 0.3 . . . . . A 38 VAL CG1 . 19340 1 419 . 1 1 38 38 VAL CG2 C 13 20.542547 0.3 . . . . . A 38 VAL CG2 . 19340 1 420 . 1 1 38 38 VAL N N 15 121.761 0.3 . . . . . A 38 VAL N . 19340 1 421 . 1 1 39 39 ASP H H 1 9.007 0.01 . . . . . A 39 ASP H . 19340 1 422 . 1 1 39 39 ASP HA H 1 4.651 0.01 . . . . . A 39 ASP HA . 19340 1 423 . 1 1 39 39 ASP HB2 H 1 2.690391 0.01 . . . . . A 39 ASP HB2 . 19340 1 424 . 1 1 39 39 ASP HB3 H 1 2.964081 0.01 . . . . . A 39 ASP HB3 . 19340 1 425 . 1 1 39 39 ASP CA C 13 53.845 0.3 . . . . . A 39 ASP CA . 19340 1 426 . 1 1 39 39 ASP CB C 13 41.429278 0.3 . . . . . A 39 ASP CB . 19340 1 427 . 1 1 39 39 ASP N N 15 127.584603 0.3 . . . . . A 39 ASP N . 19340 1 428 . 1 1 40 40 VAL H H 1 8.632 0.01 . . . . . A 40 VAL H . 19340 1 429 . 1 1 40 40 VAL HA H 1 3.495 0.01 . . . . . A 40 VAL HA . 19340 1 430 . 1 1 40 40 VAL HB H 1 2.098326 0.01 . . . . . A 40 VAL HB . 19340 1 431 . 1 1 40 40 VAL HG11 H 1 1.271669 0.01 . . . . . A 40 VAL HG11 . 19340 1 432 . 1 1 40 40 VAL HG12 H 1 1.271669 0.01 . . . . . A 40 VAL HG12 . 19340 1 433 . 1 1 40 40 VAL HG13 H 1 1.271669 0.01 . . . . . A 40 VAL HG13 . 19340 1 434 . 1 1 40 40 VAL HG21 H 1 0.886269 0.01 . . . . . A 40 VAL HG21 . 19340 1 435 . 1 1 40 40 VAL HG22 H 1 0.886269 0.01 . . . . . A 40 VAL HG22 . 19340 1 436 . 1 1 40 40 VAL HG23 H 1 0.886269 0.01 . . . . . A 40 VAL HG23 . 19340 1 437 . 1 1 40 40 VAL CA C 13 67.399 0.3 . . . . . A 40 VAL CA . 19340 1 438 . 1 1 40 40 VAL CB C 13 32.350512 0.3 . . . . . A 40 VAL CB . 19340 1 439 . 1 1 40 40 VAL CG1 C 13 23.967971 0.3 . . . . . A 40 VAL CG1 . 19340 1 440 . 1 1 40 40 VAL CG2 C 13 21.461563 0.3 . . . . . A 40 VAL CG2 . 19340 1 441 . 1 1 40 40 VAL N N 15 129.021103 0.3 . . . . . A 40 VAL N . 19340 1 442 . 1 1 41 41 ASN H H 1 8.673 0.01 . . . . . A 41 ASN H . 19340 1 443 . 1 1 41 41 ASN HA H 1 4.45 0.01 . . . . . A 41 ASN HA . 19340 1 444 . 1 1 41 41 ASN HB2 H 1 2.848444 0.01 . . . . . A 41 ASN HB2 . 19340 1 445 . 1 1 41 41 ASN HB3 H 1 2.975252 0.01 . . . . . A 41 ASN HB3 . 19340 1 446 . 1 1 41 41 ASN HD21 H 1 7.864254 0.01 . . . . . A 41 ASN HD21 . 19340 1 447 . 1 1 41 41 ASN HD22 H 1 6.99329 0.01 . . . . . A 41 ASN HD22 . 19340 1 448 . 1 1 41 41 ASN CA C 13 57.011 0.3 . . . . . A 41 ASN CA . 19340 1 449 . 1 1 41 41 ASN CB C 13 37.83676 0.3 . . . . . A 41 ASN CB . 19340 1 450 . 1 1 41 41 ASN N N 15 122.301 0.3 . . . . . A 41 ASN N . 19340 1 451 . 1 1 41 41 ASN ND2 N 15 113.786212 0.3 . . . . . A 41 ASN ND2 . 19340 1 452 . 1 1 42 42 ALA H H 1 8.42 0.01 . . . . . A 42 ALA H . 19340 1 453 . 1 1 42 42 ALA HA H 1 4.198 0.01 . . . . . A 42 ALA HA . 19340 1 454 . 1 1 42 42 ALA HB1 H 1 1.433649 0.01 . . . . . A 42 ALA HB1 . 19340 1 455 . 1 1 42 42 ALA HB2 H 1 1.433649 0.01 . . . . . A 42 ALA HB2 . 19340 1 456 . 1 1 42 42 ALA HB3 H 1 1.433649 0.01 . . . . . A 42 ALA HB3 . 19340 1 457 . 1 1 42 42 ALA CA C 13 54.871 0.3 . . . . . A 42 ALA CA . 19340 1 458 . 1 1 42 42 ALA CB C 13 18.676665 0.3 . . . . . A 42 ALA CB . 19340 1 459 . 1 1 42 42 ALA N N 15 124.313 0.3 . . . . . A 42 ALA N . 19340 1 460 . 1 1 43 43 PHE H H 1 8.611 0.01 . . . . . A 43 PHE H . 19340 1 461 . 1 1 43 43 PHE HA H 1 4.483 0.01 . . . . . A 43 PHE HA . 19340 1 462 . 1 1 43 43 PHE HB2 H 1 3.042278 0.01 . . . . . A 43 PHE HB2 . 19340 1 463 . 1 1 43 43 PHE HB3 H 1 3.042278 0.01 . . . . . A 43 PHE HB3 . 19340 1 464 . 1 1 43 43 PHE HD1 H 1 6.978757 0.01 . . . . . A 43 PHE HD1 . 19340 1 465 . 1 1 43 43 PHE HD2 H 1 6.978757 0.01 . . . . . A 43 PHE HD2 . 19340 1 466 . 1 1 43 43 PHE HE1 H 1 6.995666 0.01 . . . . . A 43 PHE HE1 . 19340 1 467 . 1 1 43 43 PHE HE2 H 1 6.995666 0.01 . . . . . A 43 PHE HE2 . 19340 1 468 . 1 1 43 43 PHE HZ H 1 7.00241 0.01 . . . . . A 43 PHE HZ . 19340 1 469 . 1 1 43 43 PHE CA C 13 58.167 0.3 . . . . . A 43 PHE CA . 19340 1 470 . 1 1 43 43 PHE CB C 13 39.173511 0.3 . . . . . A 43 PHE CB . 19340 1 471 . 1 1 43 43 PHE CD1 C 13 130.962054 0.3 . . . . . A 43 PHE CD1 . 19340 1 472 . 1 1 43 43 PHE CE1 C 13 130.352397 0.3 . . . . . A 43 PHE CE1 . 19340 1 473 . 1 1 43 43 PHE CZ C 13 128.512022 0.3 . . . . . A 43 PHE CZ . 19340 1 474 . 1 1 43 43 PHE N N 15 119.198 0.3 . . . . . A 43 PHE N . 19340 1 475 . 1 1 44 44 THR H H 1 8.881 0.01 . . . . . A 44 THR H . 19340 1 476 . 1 1 44 44 THR HA H 1 4.349 0.01 . . . . . A 44 THR HA . 19340 1 477 . 1 1 44 44 THR HB H 1 3.427679 0.01 . . . . . A 44 THR HB . 19340 1 478 . 1 1 44 44 THR HG21 H 1 1.137617 0.01 . . . . . A 44 THR HG21 . 19340 1 479 . 1 1 44 44 THR HG22 H 1 1.137617 0.01 . . . . . A 44 THR HG22 . 19340 1 480 . 1 1 44 44 THR HG23 H 1 1.137617 0.01 . . . . . A 44 THR HG23 . 19340 1 481 . 1 1 44 44 THR CA C 13 68.443 0.3 . . . . . A 44 THR CA . 19340 1 482 . 1 1 44 44 THR CB C 13 68.24784 0.3 . . . . . A 44 THR CB . 19340 1 483 . 1 1 44 44 THR CG2 C 13 21.8236 0.3 . . . . . A 44 THR CG2 . 19340 1 484 . 1 1 44 44 THR N N 15 116.7 0.3 . . . . . A 44 THR N . 19340 1 485 . 1 1 45 45 SER H H 1 8.02 0.01 . . . . . A 45 SER H . 19340 1 486 . 1 1 45 45 SER HA H 1 4.117 0.01 . . . . . A 45 SER HA . 19340 1 487 . 1 1 45 45 SER HB2 H 1 3.963888 0.01 . . . . . A 45 SER HB2 . 19340 1 488 . 1 1 45 45 SER HB3 H 1 3.963888 0.01 . . . . . A 45 SER HB3 . 19340 1 489 . 1 1 45 45 SER CA C 13 62.507 0.3 . . . . . A 45 SER CA . 19340 1 490 . 1 1 45 45 SER CB C 13 62.705894 0.3 . . . . . A 45 SER CB . 19340 1 491 . 1 1 45 45 SER N N 15 116.018 0.3 . . . . . A 45 SER N . 19340 1 492 . 1 1 46 46 GLY H H 1 7.871 0.01 . . . . . A 46 GLY H . 19340 1 493 . 1 1 46 46 GLY HA2 H 1 3.986231 0.01 . . . . . A 46 GLY HA2 . 19340 1 494 . 1 1 46 46 GLY HA3 H 1 3.360653 0.01 . . . . . A 46 GLY HA3 . 19340 1 495 . 1 1 46 46 GLY CA C 13 47.106 0.3 . . . . . A 46 GLY CA . 19340 1 496 . 1 1 46 46 GLY N N 15 108.46 0.3 . . . . . A 46 GLY N . 19340 1 497 . 1 1 47 47 LEU H H 1 8.221 0.01 . . . . . A 47 LEU H . 19340 1 498 . 1 1 47 47 LEU HA H 1 3.83 0.01 . . . . . A 47 LEU HA . 19340 1 499 . 1 1 47 47 LEU HB2 H 1 0.830413 0.01 . . . . . A 47 LEU HB2 . 19340 1 500 . 1 1 47 47 LEU HB3 H 1 1.790051 0.01 . . . . . A 47 LEU HB3 . 19340 1 501 . 1 1 47 47 LEU HG H 1 1.266084 0.01 . . . . . A 47 LEU HG . 19340 1 502 . 1 1 47 47 LEU HD11 H 1 -0.018585 0.01 . . . . . A 47 LEU HD11 . 19340 1 503 . 1 1 47 47 LEU HD12 H 1 -0.018585 0.01 . . . . . A 47 LEU HD12 . 19340 1 504 . 1 1 47 47 LEU HD13 H 1 -0.018585 0.01 . . . . . A 47 LEU HD13 . 19340 1 505 . 1 1 47 47 LEU HD21 H 1 0.461769 0.01 . . . . . A 47 LEU HD21 . 19340 1 506 . 1 1 47 47 LEU HD22 H 1 0.461769 0.01 . . . . . A 47 LEU HD22 . 19340 1 507 . 1 1 47 47 LEU HD23 H 1 0.461769 0.01 . . . . . A 47 LEU HD23 . 19340 1 508 . 1 1 47 47 LEU CA C 13 58.34 0.3 . . . . . A 47 LEU CA . 19340 1 509 . 1 1 47 47 LEU CB C 13 42.431841 0.3 . . . . . A 47 LEU CB . 19340 1 510 . 1 1 47 47 LEU CG C 13 25.471815 0.3 . . . . . A 47 LEU CG . 19340 1 511 . 1 1 47 47 LEU CD1 C 13 25.638909 0.3 . . . . . A 47 LEU CD1 . 19340 1 512 . 1 1 47 47 LEU CD2 C 13 22.018542 0.3 . . . . . A 47 LEU CD2 . 19340 1 513 . 1 1 47 47 LEU N N 15 123.148 0.3 . . . . . A 47 LEU N . 19340 1 514 . 1 1 48 48 ARG H H 1 8.646 0.01 . . . . . A 48 ARG H . 19340 1 515 . 1 1 48 48 ARG HA H 1 3.847 0.01 . . . . . A 48 ARG HA . 19340 1 516 . 1 1 48 48 ARG HB2 H 1 1.86932 0.01 . . . . . A 48 ARG HB2 . 19340 1 517 . 1 1 48 48 ARG HB3 H 1 1.86932 0.01 . . . . . A 48 ARG HB3 . 19340 1 518 . 1 1 48 48 ARG HG2 H 1 1.807879 0.01 . . . . . A 48 ARG HG2 . 19340 1 519 . 1 1 48 48 ARG HG3 H 1 1.673826 0.01 . . . . . A 48 ARG HG3 . 19340 1 520 . 1 1 48 48 ARG HD2 H 1 3.187502 0.01 . . . . . A 48 ARG HD2 . 19340 1 521 . 1 1 48 48 ARG HD3 H 1 3.187502 0.01 . . . . . A 48 ARG HD3 . 19340 1 522 . 1 1 48 48 ARG HE H 1 7.243504 0.01 . . . . . A 48 ARG HE . 19340 1 523 . 1 1 48 48 ARG CA C 13 60.238 0.3 . . . . . A 48 ARG CA . 19340 1 524 . 1 1 48 48 ARG CB C 13 30.345386 0.3 . . . . . A 48 ARG CB . 19340 1 525 . 1 1 48 48 ARG CG C 13 28.563051 0.3 . . . . . A 48 ARG CG . 19340 1 526 . 1 1 48 48 ARG CD C 13 43.740743 0.3 . . . . . A 48 ARG CD . 19340 1 527 . 1 1 48 48 ARG N N 15 118.694 0.3 . . . . . A 48 ARG N . 19340 1 528 . 1 1 48 48 ARG NE N 15 84.162114 0.3 . . . . . A 48 ARG NE . 19340 1 529 . 1 1 49 49 ALA H H 1 8.078 0.01 . . . . . A 49 ALA H . 19340 1 530 . 1 1 49 49 ALA HA H 1 4.159 0.01 . . . . . A 49 ALA HA . 19340 1 531 . 1 1 49 49 ALA HB1 H 1 1.49509 0.01 . . . . . A 49 ALA HB1 . 19340 1 532 . 1 1 49 49 ALA HB2 H 1 1.49509 0.01 . . . . . A 49 ALA HB2 . 19340 1 533 . 1 1 49 49 ALA HB3 H 1 1.49509 0.01 . . . . . A 49 ALA HB3 . 19340 1 534 . 1 1 49 49 ALA CA C 13 55.208 0.3 . . . . . A 49 ALA CA . 19340 1 535 . 1 1 49 49 ALA CB C 13 18.091837 0.3 . . . . . A 49 ALA CB . 19340 1 536 . 1 1 49 49 ALA N N 15 122.114 0.3 . . . . . A 49 ALA N . 19340 1 537 . 1 1 50 50 THR H H 1 7.577 0.01 . . . . . A 50 THR H . 19340 1 538 . 1 1 50 50 THR HA H 1 3.696 0.01 . . . . . A 50 THR HA . 19340 1 539 . 1 1 50 50 THR HB H 1 4.301277 0.01 . . . . . A 50 THR HB . 19340 1 540 . 1 1 50 50 THR HG21 H 1 1.266084 0.01 . . . . . A 50 THR HG21 . 19340 1 541 . 1 1 50 50 THR HG22 H 1 1.266084 0.01 . . . . . A 50 THR HG22 . 19340 1 542 . 1 1 50 50 THR HG23 H 1 1.266084 0.01 . . . . . A 50 THR HG23 . 19340 1 543 . 1 1 50 50 THR CA C 13 67.692 0.3 . . . . . A 50 THR CA . 19340 1 544 . 1 1 50 50 THR CB C 13 68.599326 0.3 . . . . . A 50 THR CB . 19340 1 545 . 1 1 50 50 THR CG2 C 13 23.689481 0.3 . . . . . A 50 THR CG2 . 19340 1 546 . 1 1 50 50 THR N N 15 115.708 0.3 . . . . . A 50 THR N . 19340 1 547 . 1 1 51 51 LEU H H 1 8.014 0.01 . . . . . A 51 LEU H . 19340 1 548 . 1 1 51 51 LEU HA H 1 3.791 0.01 . . . . . A 51 LEU HA . 19340 1 549 . 1 1 51 51 LEU HB2 H 1 1.316353 0.01 . . . . . A 51 LEU HB2 . 19340 1 550 . 1 1 51 51 LEU HB3 H 1 1.958688 0.01 . . . . . A 51 LEU HB3 . 19340 1 551 . 1 1 51 51 LEU HG H 1 1.511846 0.01 . . . . . A 51 LEU HG . 19340 1 552 . 1 1 51 51 LEU HD11 H 1 0.886269 0.01 . . . . . A 51 LEU HD11 . 19340 1 553 . 1 1 51 51 LEU HD12 H 1 0.886269 0.01 . . . . . A 51 LEU HD12 . 19340 1 554 . 1 1 51 51 LEU HD13 H 1 0.886269 0.01 . . . . . A 51 LEU HD13 . 19340 1 555 . 1 1 51 51 LEU HD21 H 1 0.718703 0.01 . . . . . A 51 LEU HD21 . 19340 1 556 . 1 1 51 51 LEU HD22 H 1 0.718703 0.01 . . . . . A 51 LEU HD22 . 19340 1 557 . 1 1 51 51 LEU HD23 H 1 0.718703 0.01 . . . . . A 51 LEU HD23 . 19340 1 558 . 1 1 51 51 LEU CA C 13 58.253 0.3 . . . . . A 51 LEU CA . 19340 1 559 . 1 1 51 51 LEU CB C 13 41.986257 0.3 . . . . . A 51 LEU CB . 19340 1 560 . 1 1 51 51 LEU CG C 13 26.725019 0.3 . . . . . A 51 LEU CG . 19340 1 561 . 1 1 51 51 LEU CD1 C 13 25.88955 0.3 . . . . . A 51 LEU CD1 . 19340 1 562 . 1 1 51 51 LEU CD2 C 13 23.967971 0.3 . . . . . A 51 LEU CD2 . 19340 1 563 . 1 1 51 51 LEU N N 15 121.108 0.3 . . . . . A 51 LEU N . 19340 1 564 . 1 1 52 52 SER H H 1 8.442 0.01 . . . . . A 52 SER H . 19340 1 565 . 1 1 52 52 SER HA H 1 4.154 0.01 . . . . . A 52 SER HA . 19340 1 566 . 1 1 52 52 SER HB2 H 1 3.97506 0.01 . . . . . A 52 SER HB2 . 19340 1 567 . 1 1 52 52 SER HB3 H 1 3.97506 0.01 . . . . . A 52 SER HB3 . 19340 1 568 . 1 1 52 52 SER CA C 13 61.765 0.3 . . . . . A 52 SER CA . 19340 1 569 . 1 1 52 52 SER CB C 13 62.900837 0.3 . . . . . A 52 SER CB . 19340 1 570 . 1 1 52 52 SER N N 15 115.122 0.3 . . . . . A 52 SER N . 19340 1 571 . 1 1 53 53 ASN H H 1 7.705 0.01 . . . . . A 53 ASN H . 19340 1 572 . 1 1 53 53 ASN HA H 1 4.64 0.01 . . . . . A 53 ASN HA . 19340 1 573 . 1 1 53 53 ASN HB2 H 1 2.916832 0.01 . . . . . A 53 ASN HB2 . 19340 1 574 . 1 1 53 53 ASN HB3 H 1 2.815403 0.01 . . . . . A 53 ASN HB3 . 19340 1 575 . 1 1 53 53 ASN HD21 H 1 7.605836 0.01 . . . . . A 53 ASN HD21 . 19340 1 576 . 1 1 53 53 ASN HD22 H 1 6.935864 0.01 . . . . . A 53 ASN HD22 . 19340 1 577 . 1 1 53 53 ASN CA C 13 55.993 0.3 . . . . . A 53 ASN CA . 19340 1 578 . 1 1 53 53 ASN CB C 13 39.507698 0.3 . . . . . A 53 ASN CB . 19340 1 579 . 1 1 53 53 ASN N N 15 119.438 0.3 . . . . . A 53 ASN N . 19340 1 580 . 1 1 53 53 ASN ND2 N 15 112.159705 0.3 . . . . . A 53 ASN ND2 . 19340 1 581 . 1 1 54 54 LEU H H 1 7.811 0.01 . . . . . A 54 LEU H . 19340 1 582 . 1 1 54 54 LEU HA H 1 4.193 0.01 . . . . . A 54 LEU HA . 19340 1 583 . 1 1 54 54 LEU HB2 H 1 1.908418 0.01 . . . . . A 54 LEU HB2 . 19340 1 584 . 1 1 54 54 LEU HB3 H 1 1.461577 0.01 . . . . . A 54 LEU HB3 . 19340 1 585 . 1 1 54 54 LEU HG H 1 1.556531 0.01 . . . . . A 54 LEU HG . 19340 1 586 . 1 1 54 54 LEU HD11 H 1 0.791315 0.01 . . . . . A 54 LEU HD11 . 19340 1 587 . 1 1 54 54 LEU HD12 H 1 0.791315 0.01 . . . . . A 54 LEU HD12 . 19340 1 588 . 1 1 54 54 LEU HD13 H 1 0.791315 0.01 . . . . . A 54 LEU HD13 . 19340 1 589 . 1 1 54 54 LEU HD21 H 1 0.919782 0.01 . . . . . A 54 LEU HD21 . 19340 1 590 . 1 1 54 54 LEU HD22 H 1 0.919782 0.01 . . . . . A 54 LEU HD22 . 19340 1 591 . 1 1 54 54 LEU HD23 H 1 0.919782 0.01 . . . . . A 54 LEU HD23 . 19340 1 592 . 1 1 54 54 LEU CA C 13 57.115 0.3 . . . . . A 54 LEU CA . 19340 1 593 . 1 1 54 54 LEU CB C 13 42.98882 0.3 . . . . . A 54 LEU CB . 19340 1 594 . 1 1 54 54 LEU CG C 13 27.922525 0.3 . . . . . A 54 LEU CG . 19340 1 595 . 1 1 54 54 LEU CD1 C 13 27.25415 0.3 . . . . . A 54 LEU CD1 . 19340 1 596 . 1 1 54 54 LEU CD2 C 13 23.689481 0.3 . . . . . A 54 LEU CD2 . 19340 1 597 . 1 1 54 54 LEU N N 15 120.042 0.3 . . . . . A 54 LEU N . 19340 1 598 . 1 1 55 55 GLY H H 1 8.074 0.01 . . . . . A 55 GLY H . 19340 1 599 . 1 1 55 55 GLY HA2 H 1 3.975 0.01 . . . . . A 55 GLY HA2 . 19340 1 600 . 1 1 55 55 GLY CA C 13 47.676 0.3 . . . . . A 55 GLY CA . 19340 1 601 . 1 1 55 55 GLY N N 15 109.45 0.3 . . . . . A 55 GLY N . 19340 1 602 . 1 1 56 56 ASP H H 1 8.144 0.01 . . . . . A 56 ASP H . 19340 1 603 . 1 1 56 56 ASP HA H 1 4.757 0.01 . . . . . A 56 ASP HA . 19340 1 604 . 1 1 56 56 ASP HB2 H 1 2.735075 0.01 . . . . . A 56 ASP HB2 . 19340 1 605 . 1 1 56 56 ASP HB3 H 1 2.735075 0.01 . . . . . A 56 ASP HB3 . 19340 1 606 . 1 1 56 56 ASP CA C 13 54.811 0.3 . . . . . A 56 ASP CA . 19340 1 607 . 1 1 56 56 ASP CB C 13 40.538111 0.3 . . . . . A 56 ASP CB . 19340 1 608 . 1 1 56 56 ASP N N 15 121.016 0.3 . . . . . A 56 ASP N . 19340 1 609 . 1 1 57 57 SER H H 1 7.742 0.01 . . . . . A 57 SER H . 19340 1 610 . 1 1 57 57 SER HA H 1 4.305 0.01 . . . . . A 57 SER HA . 19340 1 611 . 1 1 57 57 SER HB2 H 1 3.980645 0.01 . . . . . A 57 SER HB2 . 19340 1 612 . 1 1 57 57 SER HB3 H 1 3.980645 0.01 . . . . . A 57 SER HB3 . 19340 1 613 . 1 1 57 57 SER CA C 13 60.031 0.3 . . . . . A 57 SER CA . 19340 1 614 . 1 1 57 57 SER CB C 13 65.212302 0.3 . . . . . A 57 SER CB . 19340 1 615 . 1 1 57 57 SER N N 15 113.978 0.3 . . . . . A 57 SER N . 19340 1 616 . 1 1 58 58 GLY H H 1 8.306 0.01 . . . . . A 58 GLY H . 19340 1 617 . 1 1 58 58 GLY HA2 H 1 4.24875 0.01 . . . . . A 58 GLY HA2 . 19340 1 618 . 1 1 58 58 GLY HA3 H 1 3.695784 0.01 . . . . . A 58 GLY HA3 . 19340 1 619 . 1 1 58 58 GLY CA C 13 45.690171 0.3 . . . . . A 58 GLY CA . 19340 1 620 . 1 1 58 58 GLY N N 15 110.315 0.3 . . . . . A 58 GLY N . 19340 1 621 . 1 1 59 59 MET H H 1 7.686 0.01 . . . . . A 59 MET H . 19340 1 622 . 1 1 59 59 MET HA H 1 4.416 0.01 . . . . . A 59 MET HA . 19340 1 623 . 1 1 59 59 MET HB2 H 1 1.740853 0.01 . . . . . A 59 MET HB2 . 19340 1 624 . 1 1 59 59 MET HB3 H 1 1.865509 0.01 . . . . . A 59 MET HB3 . 19340 1 625 . 1 1 59 59 MET HG2 H 1 2.530576 0.01 . . . . . A 59 MET HG2 . 19340 1 626 . 1 1 59 59 MET HG3 H 1 2.445903 0.01 . . . . . A 59 MET HG3 . 19340 1 627 . 1 1 59 59 MET HE1 H 1 1.852563 0.01 . . . . . A 59 MET HE1 . 19340 1 628 . 1 1 59 59 MET HE2 H 1 1.852563 0.01 . . . . . A 59 MET HE2 . 19340 1 629 . 1 1 59 59 MET HE3 H 1 1.852563 0.01 . . . . . A 59 MET HE3 . 19340 1 630 . 1 1 59 59 MET CA C 13 56.597 0.3 . . . . . A 59 MET CA . 19340 1 631 . 1 1 59 59 MET CB C 13 34.327789 0.3 . . . . . A 59 MET CB . 19340 1 632 . 1 1 59 59 MET CG C 13 33.755479 0.3 . . . . . A 59 MET CG . 19340 1 633 . 1 1 59 59 MET CE C 13 17.813347 0.3 . . . . . A 59 MET CE . 19340 1 634 . 1 1 59 59 MET N N 15 120.024 0.3 . . . . . A 59 MET N . 19340 1 635 . 1 1 60 60 SER H H 1 9.088 0.01 . . . . . A 60 SER H . 19340 1 636 . 1 1 60 60 SER HA H 1 4.601 0.01 . . . . . A 60 SER HA . 19340 1 637 . 1 1 60 60 SER HB2 H 1 4.215237 0.01 . . . . . A 60 SER HB2 . 19340 1 638 . 1 1 60 60 SER HB3 H 1 3.947132 0.01 . . . . . A 60 SER HB3 . 19340 1 639 . 1 1 60 60 SER CA C 13 57.598 0.3 . . . . . A 60 SER CA . 19340 1 640 . 1 1 60 60 SER CB C 13 62.510952 0.3 . . . . . A 60 SER CB . 19340 1 641 . 1 1 60 60 SER N N 15 122.795 0.3 . . . . . A 60 SER N . 19340 1 642 . 1 1 61 61 PRO HA H 1 4.215 0.01 . . . . . A 61 PRO HA . 19340 1 643 . 1 1 61 61 PRO HB2 H 1 2.30499 0.01 . . . . . A 61 PRO HB2 . 19340 1 644 . 1 1 61 61 PRO HB3 H 1 1.813464 0.01 . . . . . A 61 PRO HB3 . 19340 1 645 . 1 1 61 61 PRO HG2 H 1 2.036885 0.01 . . . . . A 61 PRO HG2 . 19340 1 646 . 1 1 61 61 PRO HG3 H 1 2.036885 0.01 . . . . . A 61 PRO HG3 . 19340 1 647 . 1 1 61 61 PRO HD2 H 1 3.790737 0.01 . . . . . A 61 PRO HD2 . 19340 1 648 . 1 1 61 61 PRO HD3 H 1 3.790737 0.01 . . . . . A 61 PRO HD3 . 19340 1 649 . 1 1 61 61 PRO CA C 13 66.622 0.3 . . . . . A 61 PRO CA . 19340 1 650 . 1 1 61 61 PRO CB C 13 31.960626 0.3 . . . . . A 61 PRO CB . 19340 1 651 . 1 1 61 61 PRO CG C 13 27.978223 0.3 . . . . . A 61 PRO CG . 19340 1 652 . 1 1 61 61 PRO CD C 13 50.118158 0.3 . . . . . A 61 PRO CD . 19340 1 653 . 1 1 62 62 ASN H H 1 8.389 0.01 . . . . . A 62 ASN H . 19340 1 654 . 1 1 62 62 ASN HA H 1 4.377 0.01 . . . . . A 62 ASN HA . 19340 1 655 . 1 1 62 62 ASN HB2 H 1 2.663318 0.01 . . . . . A 62 ASN HB2 . 19340 1 656 . 1 1 62 62 ASN HB3 H 1 2.542493 0.01 . . . . . A 62 ASN HB3 . 19340 1 657 . 1 1 62 62 ASN HD21 H 1 7.600367 0.01 . . . . . A 62 ASN HD21 . 19340 1 658 . 1 1 62 62 ASN HD22 H 1 7.063022 0.01 . . . . . A 62 ASN HD22 . 19340 1 659 . 1 1 62 62 ASN CA C 13 56.416 0.3 . . . . . A 62 ASN CA . 19340 1 660 . 1 1 62 62 ASN CB C 13 38.003854 0.3 . . . . . A 62 ASN CB . 19340 1 661 . 1 1 62 62 ASN N N 15 113.17 0.3 . . . . . A 62 ASN N . 19340 1 662 . 1 1 62 62 ASN ND2 N 15 112.983802 0.3 . . . . . A 62 ASN ND2 . 19340 1 663 . 1 1 63 63 GLU H H 1 7.428 0.01 . . . . . A 63 GLU H . 19340 1 664 . 1 1 63 63 GLU HA H 1 3.752 0.01 . . . . . A 63 GLU HA . 19340 1 665 . 1 1 63 63 GLU HB2 H 1 2.19328 0.01 . . . . . A 63 GLU HB2 . 19340 1 666 . 1 1 63 63 GLU HB3 H 1 2.19328 0.01 . . . . . A 63 GLU HB3 . 19340 1 667 . 1 1 63 63 GLU HG2 H 1 2.210036 0.01 . . . . . A 63 GLU HG2 . 19340 1 668 . 1 1 63 63 GLU HG3 H 1 1.964273 0.01 . . . . . A 63 GLU HG3 . 19340 1 669 . 1 1 63 63 GLU CA C 13 59.668 0.3 . . . . . A 63 GLU CA . 19340 1 670 . 1 1 63 63 GLU CB C 13 37.83676 0.3 . . . . . A 63 GLU CB . 19340 1 671 . 1 1 63 63 GLU CG C 13 30.122594 0.3 . . . . . A 63 GLU CG . 19340 1 672 . 1 1 63 63 GLU N N 15 120.222 0.3 . . . . . A 63 GLU N . 19340 1 673 . 1 1 64 64 ALA H H 1 8.64 0.01 . . . . . A 64 ALA H . 19340 1 674 . 1 1 64 64 ALA HA H 1 4.076 0.01 . . . . . A 64 ALA HA . 19340 1 675 . 1 1 64 64 ALA HB1 H 1 1.215814 0.01 . . . . . A 64 ALA HB1 . 19340 1 676 . 1 1 64 64 ALA HB2 H 1 1.215814 0.01 . . . . . A 64 ALA HB2 . 19340 1 677 . 1 1 64 64 ALA HB3 H 1 1.215814 0.01 . . . . . A 64 ALA HB3 . 19340 1 678 . 1 1 64 64 ALA CA C 13 54.82 0.3 . . . . . A 64 ALA CA . 19340 1 679 . 1 1 64 64 ALA CB C 13 18.342478 0.3 . . . . . A 64 ALA CB . 19340 1 680 . 1 1 64 64 ALA N N 15 120.568 0.3 . . . . . A 64 ALA N . 19340 1 681 . 1 1 65 65 LYS H H 1 7.472 0.01 . . . . . A 65 LYS H . 19340 1 682 . 1 1 65 65 LYS HA H 1 3.623 0.01 . . . . . A 65 LYS HA . 19340 1 683 . 1 1 65 65 LYS HB2 H 1 1.539774 0.01 . . . . . A 65 LYS HB2 . 19340 1 684 . 1 1 65 65 LYS HB3 H 1 1.210229 0.01 . . . . . A 65 LYS HB3 . 19340 1 685 . 1 1 65 65 LYS HG2 H 1 1.020321 0.01 . . . . . A 65 LYS HG2 . 19340 1 686 . 1 1 65 65 LYS HG3 H 1 1.752024 0.01 . . . . . A 65 LYS HG3 . 19340 1 687 . 1 1 65 65 LYS HD2 H 1 1.335814 0.01 . . . . . A 65 LYS HD2 . 19340 1 688 . 1 1 65 65 LYS HD3 H 1 1.444458 0.01 . . . . . A 65 LYS HD3 . 19340 1 689 . 1 1 65 65 LYS HE2 H 1 2.74066 0.01 . . . . . A 65 LYS HE2 . 19340 1 690 . 1 1 65 65 LYS HE3 H 1 2.74066 0.01 . . . . . A 65 LYS HE3 . 19340 1 691 . 1 1 65 65 LYS CA C 13 60.876 0.3 . . . . . A 65 LYS CA . 19340 1 692 . 1 1 65 65 LYS CB C 13 32.851794 0.3 . . . . . A 65 LYS CB . 19340 1 693 . 1 1 65 65 LYS CG C 13 27.031358 0.3 . . . . . A 65 LYS CG . 19340 1 694 . 1 1 65 65 LYS CD C 13 29.766395 0.3 . . . . . A 65 LYS CD . 19340 1 695 . 1 1 65 65 LYS CE C 13 42.960971 0.3 . . . . . A 65 LYS CE . 19340 1 696 . 1 1 65 65 LYS N N 15 115.104 0.3 . . . . . A 65 LYS N . 19340 1 697 . 1 1 66 66 VAL H H 1 7.045 0.01 . . . . . A 66 VAL H . 19340 1 698 . 1 1 66 66 VAL HA H 1 3.551 0.01 . . . . . A 66 VAL HA . 19340 1 699 . 1 1 66 66 VAL HB H 1 2.187694 0.01 . . . . . A 66 VAL HB . 19340 1 700 . 1 1 66 66 VAL HG11 H 1 1.070591 0.01 . . . . . A 66 VAL HG11 . 19340 1 701 . 1 1 66 66 VAL HG12 H 1 1.070591 0.01 . . . . . A 66 VAL HG12 . 19340 1 702 . 1 1 66 66 VAL HG13 H 1 1.070591 0.01 . . . . . A 66 VAL HG13 . 19340 1 703 . 1 1 66 66 VAL HG21 H 1 0.601407 0.01 . . . . . A 66 VAL HG21 . 19340 1 704 . 1 1 66 66 VAL HG22 H 1 0.601407 0.01 . . . . . A 66 VAL HG22 . 19340 1 705 . 1 1 66 66 VAL HG23 H 1 0.601407 0.01 . . . . . A 66 VAL HG23 . 19340 1 706 . 1 1 66 66 VAL CA C 13 67.304 0.3 . . . . . A 66 VAL CA . 19340 1 707 . 1 1 66 66 VAL CB C 13 31.542892 0.3 . . . . . A 66 VAL CB . 19340 1 708 . 1 1 66 66 VAL CG1 C 13 23.689481 0.3 . . . . . A 66 VAL CG1 . 19340 1 709 . 1 1 66 66 VAL CG2 C 13 21.740053 0.3 . . . . . A 66 VAL CG2 . 19340 1 710 . 1 1 66 66 VAL N N 15 116.911 0.3 . . . . . A 66 VAL N . 19340 1 711 . 1 1 67 67 GLU H H 1 8.439 0.01 . . . . . A 67 GLU H . 19340 1 712 . 1 1 67 67 GLU HA H 1 4.042 0.01 . . . . . A 67 GLU HA . 19340 1 713 . 1 1 67 67 GLU HB2 H 1 2.277062 0.01 . . . . . A 67 GLU HB2 . 19340 1 714 . 1 1 67 67 GLU HB3 H 1 2.165278 0.01 . . . . . A 67 GLU HB3 . 19340 1 715 . 1 1 67 67 GLU HG2 H 1 2.087155 0.01 . . . . . A 67 GLU HG2 . 19340 1 716 . 1 1 67 67 GLU HG3 H 1 2.087155 0.01 . . . . . A 67 GLU HG3 . 19340 1 717 . 1 1 67 67 GLU CA C 13 58.409 0.3 . . . . . A 67 GLU CA . 19340 1 718 . 1 1 67 67 GLU CB C 13 32.93534 0.3 . . . . . A 67 GLU CB . 19340 1 719 . 1 1 67 67 GLU CG C 13 26.641472 0.3 . . . . . A 67 GLU CG . 19340 1 720 . 1 1 67 67 GLU N N 15 120.755 0.3 . . . . . A 67 GLU N . 19340 1 721 . 1 1 68 68 VAL H H 1 8.473 0.01 . . . . . A 68 VAL H . 19340 1 722 . 1 1 68 68 VAL HA H 1 3.355 0.01 . . . . . A 68 VAL HA . 19340 1 723 . 1 1 68 68 VAL HB H 1 2.232378 0.01 . . . . . A 68 VAL HB . 19340 1 724 . 1 1 68 68 VAL HG11 H 1 0.942124 0.01 . . . . . A 68 VAL HG11 . 19340 1 725 . 1 1 68 68 VAL HG12 H 1 0.942124 0.01 . . . . . A 68 VAL HG12 . 19340 1 726 . 1 1 68 68 VAL HG13 H 1 0.942124 0.01 . . . . . A 68 VAL HG13 . 19340 1 727 . 1 1 68 68 VAL HG21 H 1 0.907833 0.01 . . . . . A 68 VAL HG21 . 19340 1 728 . 1 1 68 68 VAL HG22 H 1 0.907833 0.01 . . . . . A 68 VAL HG22 . 19340 1 729 . 1 1 68 68 VAL HG23 H 1 0.907833 0.01 . . . . . A 68 VAL HG23 . 19340 1 730 . 1 1 68 68 VAL CA C 13 67.433 0.3 . . . . . A 68 VAL CA . 19340 1 731 . 1 1 68 68 VAL CB C 13 30.651725 0.3 . . . . . A 68 VAL CB . 19340 1 732 . 1 1 68 68 VAL CG1 C 13 23.953879 0.3 . . . . . A 68 VAL CG1 . 19340 1 733 . 1 1 68 68 VAL CG2 C 13 23.936462 0.3 . . . . . A 68 VAL CG2 . 19340 1 734 . 1 1 68 68 VAL N N 15 119.28 0.3 . . . . . A 68 VAL N . 19340 1 735 . 1 1 69 69 LEU H H 1 7.292 0.01 . . . . . A 69 LEU H . 19340 1 736 . 1 1 69 69 LEU HA H 1 3.958 0.01 . . . . . A 69 LEU HA . 19340 1 737 . 1 1 69 69 LEU HB2 H 1 1.349866 0.01 . . . . . A 69 LEU HB2 . 19340 1 738 . 1 1 69 69 LEU HB3 H 1 2.260306 0.01 . . . . . A 69 LEU HB3 . 19340 1 739 . 1 1 69 69 LEU HG H 1 2.064813 0.01 . . . . . A 69 LEU HG . 19340 1 740 . 1 1 69 69 LEU HD11 H 1 0.89744 0.01 . . . . . A 69 LEU HD11 . 19340 1 741 . 1 1 69 69 LEU HD12 H 1 0.89744 0.01 . . . . . A 69 LEU HD12 . 19340 1 742 . 1 1 69 69 LEU HD13 H 1 0.89744 0.01 . . . . . A 69 LEU HD13 . 19340 1 743 . 1 1 69 69 LEU HD21 H 1 0.73546 0.01 . . . . . A 69 LEU HD21 . 19340 1 744 . 1 1 69 69 LEU HD22 H 1 0.73546 0.01 . . . . . A 69 LEU HD22 . 19340 1 745 . 1 1 69 69 LEU HD23 H 1 0.73546 0.01 . . . . . A 69 LEU HD23 . 19340 1 746 . 1 1 69 69 LEU CA C 13 58.357 0.3 . . . . . A 69 LEU CA . 19340 1 747 . 1 1 69 69 LEU CB C 13 42.097653 0.3 . . . . . A 69 LEU CB . 19340 1 748 . 1 1 69 69 LEU CG C 13 26.140191 0.3 . . . . . A 69 LEU CG . 19340 1 749 . 1 1 69 69 LEU CD1 C 13 26.585774 0.3 . . . . . A 69 LEU CD1 . 19340 1 750 . 1 1 69 69 LEU CD2 C 13 23.076803 0.3 . . . . . A 69 LEU CD2 . 19340 1 751 . 1 1 69 69 LEU N N 15 117.578 0.3 . . . . . A 69 LEU N . 19340 1 752 . 1 1 70 70 LEU H H 1 8.237 0.01 . . . . . A 70 LEU H . 19340 1 753 . 1 1 70 70 LEU HA H 1 3.981 0.01 . . . . . A 70 LEU HA . 19340 1 754 . 1 1 70 70 LEU HB2 H 1 1.338695 0.01 . . . . . A 70 LEU HB2 . 19340 1 755 . 1 1 70 70 LEU HB3 H 1 2.087155 0.01 . . . . . A 70 LEU HB3 . 19340 1 756 . 1 1 70 70 LEU HG H 1 1.746438 0.01 . . . . . A 70 LEU HG . 19340 1 757 . 1 1 70 70 LEU HD11 H 1 0.7969 0.01 . . . . . A 70 LEU HD11 . 19340 1 758 . 1 1 70 70 LEU HD12 H 1 0.7969 0.01 . . . . . A 70 LEU HD12 . 19340 1 759 . 1 1 70 70 LEU HD13 H 1 0.7969 0.01 . . . . . A 70 LEU HD13 . 19340 1 760 . 1 1 70 70 LEU HD21 H 1 0.7969 0.01 . . . . . A 70 LEU HD21 . 19340 1 761 . 1 1 70 70 LEU HD22 H 1 0.7969 0.01 . . . . . A 70 LEU HD22 . 19340 1 762 . 1 1 70 70 LEU HD23 H 1 0.7969 0.01 . . . . . A 70 LEU HD23 . 19340 1 763 . 1 1 70 70 LEU CA C 13 58.374 0.3 . . . . . A 70 LEU CA . 19340 1 764 . 1 1 70 70 LEU CB C 13 42.1812 0.3 . . . . . A 70 LEU CB . 19340 1 765 . 1 1 70 70 LEU CG C 13 26.725019 0.3 . . . . . A 70 LEU CG . 19340 1 766 . 1 1 70 70 LEU CD1 C 13 26.112342 0.3 . . . . . A 70 LEU CD1 . 19340 1 767 . 1 1 70 70 LEU CD2 C 13 24.80344 0.3 . . . . . A 70 LEU CD2 . 19340 1 768 . 1 1 70 70 LEU N N 15 118.482 0.3 . . . . . A 70 LEU N . 19340 1 769 . 1 1 71 71 GLU H H 1 8.915 0.01 . . . . . A 71 GLU H . 19340 1 770 . 1 1 71 71 GLU HA H 1 3.724 0.01 . . . . . A 71 GLU HA . 19340 1 771 . 1 1 71 71 GLU HB2 H 1 2.718318 0.01 . . . . . A 71 GLU HB2 . 19340 1 772 . 1 1 71 71 GLU HB3 H 1 1.897247 0.01 . . . . . A 71 GLU HB3 . 19340 1 773 . 1 1 71 71 GLU HG2 H 1 1.934425 0.01 . . . . . A 71 GLU HG2 . 19340 1 774 . 1 1 71 71 GLU HG3 H 1 1.836794 0.01 . . . . . A 71 GLU HG3 . 19340 1 775 . 1 1 71 71 GLU CA C 13 61.083 0.3 . . . . . A 71 GLU CA . 19340 1 776 . 1 1 71 71 GLU CB C 13 37.30763 0.3 . . . . . A 71 GLU CB . 19340 1 777 . 1 1 71 71 GLU CG C 13 27.959246 0.3 . . . . . A 71 GLU CG . 19340 1 778 . 1 1 71 71 GLU N N 15 123.582 0.3 . . . . . A 71 GLU N . 19340 1 779 . 1 1 72 72 ALA H H 1 8.994 0.01 . . . . . A 72 ALA H . 19340 1 780 . 1 1 72 72 ALA HA H 1 4.064 0.01 . . . . . A 72 ALA HA . 19340 1 781 . 1 1 72 72 ALA HB1 H 1 1.467162 0.01 . . . . . A 72 ALA HB1 . 19340 1 782 . 1 1 72 72 ALA HB2 H 1 1.467162 0.01 . . . . . A 72 ALA HB2 . 19340 1 783 . 1 1 72 72 ALA HB3 H 1 1.467162 0.01 . . . . . A 72 ALA HB3 . 19340 1 784 . 1 1 72 72 ALA CA C 13 55.7 0.3 . . . . . A 72 ALA CA . 19340 1 785 . 1 1 72 72 ALA CB C 13 17.841196 0.3 . . . . . A 72 ALA CB . 19340 1 786 . 1 1 72 72 ALA N N 15 123.321 0.3 . . . . . A 72 ALA N . 19340 1 787 . 1 1 73 73 LEU H H 1 8.544 0.01 . . . . . A 73 LEU H . 19340 1 788 . 1 1 73 73 LEU HA H 1 3.958 0.01 . . . . . A 73 LEU HA . 19340 1 789 . 1 1 73 73 LEU HB2 H 1 2.19328 0.01 . . . . . A 73 LEU HB2 . 19340 1 790 . 1 1 73 73 LEU HB3 H 1 1.539774 0.01 . . . . . A 73 LEU HB3 . 19340 1 791 . 1 1 73 73 LEU HG H 1 1.578873 0.01 . . . . . A 73 LEU HG . 19340 1 792 . 1 1 73 73 LEU HD11 H 1 0.992393 0.01 . . . . . A 73 LEU HD11 . 19340 1 793 . 1 1 73 73 LEU HD12 H 1 0.992393 0.01 . . . . . A 73 LEU HD12 . 19340 1 794 . 1 1 73 73 LEU HD13 H 1 0.992393 0.01 . . . . . A 73 LEU HD13 . 19340 1 795 . 1 1 73 73 LEU HD21 H 1 0.841584 0.01 . . . . . A 73 LEU HD21 . 19340 1 796 . 1 1 73 73 LEU HD22 H 1 0.841584 0.01 . . . . . A 73 LEU HD22 . 19340 1 797 . 1 1 73 73 LEU HD23 H 1 0.841584 0.01 . . . . . A 73 LEU HD23 . 19340 1 798 . 1 1 73 73 LEU CA C 13 58.236 0.3 . . . . . A 73 LEU CA . 19340 1 799 . 1 1 73 73 LEU CB C 13 42.348294 0.3 . . . . . A 73 LEU CB . 19340 1 800 . 1 1 73 73 LEU CG C 13 27.226301 0.3 . . . . . A 73 LEU CG . 19340 1 801 . 1 1 73 73 LEU CD1 C 13 26.056644 0.3 . . . . . A 73 LEU CD1 . 19340 1 802 . 1 1 73 73 LEU CD2 C 13 22.881861 0.3 . . . . . A 73 LEU CD2 . 19340 1 803 . 1 1 73 73 LEU N N 15 118.574 0.3 . . . . . A 73 LEU N . 19340 1 804 . 1 1 74 74 THR H H 1 8.137 0.01 . . . . . A 74 THR H . 19340 1 805 . 1 1 74 74 THR HA H 1 3.578 0.01 . . . . . A 74 THR HA . 19340 1 806 . 1 1 74 74 THR HB H 1 4.181724 0.01 . . . . . A 74 THR HB . 19340 1 807 . 1 1 74 74 THR HG21 H 1 1.098518 0.01 . . . . . A 74 THR HG21 . 19340 1 808 . 1 1 74 74 THR HG22 H 1 1.098518 0.01 . . . . . A 74 THR HG22 . 19340 1 809 . 1 1 74 74 THR HG23 H 1 1.098518 0.01 . . . . . A 74 THR HG23 . 19340 1 810 . 1 1 74 74 THR CA C 13 68.727 0.3 . . . . . A 74 THR CA . 19340 1 811 . 1 1 74 74 THR CB C 13 67.690861 0.3 . . . . . A 74 THR CB . 19340 1 812 . 1 1 74 74 THR CG2 C 13 22.408428 0.3 . . . . . A 74 THR CG2 . 19340 1 813 . 1 1 74 74 THR N N 15 115.785 0.3 . . . . . A 74 THR N . 19340 1 814 . 1 1 75 75 ALA H H 1 8.585 0.01 . . . . . A 75 ALA H . 19340 1 815 . 1 1 75 75 ALA HA H 1 3.696 0.01 . . . . . A 75 ALA HA . 19340 1 816 . 1 1 75 75 ALA HB1 H 1 1.428064 0.01 . . . . . A 75 ALA HB1 . 19340 1 817 . 1 1 75 75 ALA HB2 H 1 1.428064 0.01 . . . . . A 75 ALA HB2 . 19340 1 818 . 1 1 75 75 ALA HB3 H 1 1.428064 0.01 . . . . . A 75 ALA HB3 . 19340 1 819 . 1 1 75 75 ALA CA C 13 55.562 0.3 . . . . . A 75 ALA CA . 19340 1 820 . 1 1 75 75 ALA CB C 13 19.37289 0.3 . . . . . A 75 ALA CB . 19340 1 821 . 1 1 75 75 ALA N N 15 123.543 0.3 . . . . . A 75 ALA N . 19340 1 822 . 1 1 76 76 ALA H H 1 8.199 0.01 . . . . . A 76 ALA H . 19340 1 823 . 1 1 76 76 ALA HA H 1 3.774 0.01 . . . . . A 76 ALA HA . 19340 1 824 . 1 1 76 76 ALA HB1 H 1 1.249327 0.01 . . . . . A 76 ALA HB1 . 19340 1 825 . 1 1 76 76 ALA HB2 H 1 1.249327 0.01 . . . . . A 76 ALA HB2 . 19340 1 826 . 1 1 76 76 ALA HB3 H 1 1.249327 0.01 . . . . . A 76 ALA HB3 . 19340 1 827 . 1 1 76 76 ALA CA C 13 55.441 0.3 . . . . . A 76 ALA CA . 19340 1 828 . 1 1 76 76 ALA CB C 13 18.147535 0.3 . . . . . A 76 ALA CB . 19340 1 829 . 1 1 76 76 ALA N N 15 118.729 0.3 . . . . . A 76 ALA N . 19340 1 830 . 1 1 77 77 LEU H H 1 8.26487 0.01 . . . . . A 77 LEU H . 19340 1 831 . 1 1 77 77 LEU HA H 1 3.875 0.01 . . . . . A 77 LEU HA . 19340 1 832 . 1 1 77 77 LEU HB2 H 1 1.712925 0.01 . . . . . A 77 LEU HB2 . 19340 1 833 . 1 1 77 77 LEU HB3 H 1 1.070591 0.01 . . . . . A 77 LEU HB3 . 19340 1 834 . 1 1 77 77 LEU HG H 1 1.746438 0.01 . . . . . A 77 LEU HG . 19340 1 835 . 1 1 77 77 LEU HD11 H 1 0.417085 0.01 . . . . . A 77 LEU HD11 . 19340 1 836 . 1 1 77 77 LEU HD12 H 1 0.417085 0.01 . . . . . A 77 LEU HD12 . 19340 1 837 . 1 1 77 77 LEU HD13 H 1 0.417085 0.01 . . . . . A 77 LEU HD13 . 19340 1 838 . 1 1 77 77 LEU HD21 H 1 0.456184 0.01 . . . . . A 77 LEU HD21 . 19340 1 839 . 1 1 77 77 LEU HD22 H 1 0.456184 0.01 . . . . . A 77 LEU HD22 . 19340 1 840 . 1 1 77 77 LEU HD23 H 1 0.456184 0.01 . . . . . A 77 LEU HD23 . 19340 1 841 . 1 1 77 77 LEU CA C 13 58.202 0.3 . . . . . A 77 LEU CA . 19340 1 842 . 1 1 77 77 LEU CB C 13 40.621657 0.3 . . . . . A 77 LEU CB . 19340 1 843 . 1 1 77 77 LEU CG C 13 27.449092 0.3 . . . . . A 77 LEU CG . 19340 1 844 . 1 1 77 77 LEU CD1 C 13 25.861701 0.3 . . . . . A 77 LEU CD1 . 19340 1 845 . 1 1 77 77 LEU CD2 C 13 23.689481 0.3 . . . . . A 77 LEU CD2 . 19340 1 846 . 1 1 77 77 LEU N N 15 117.321152 0.3 . . . . . A 77 LEU N . 19340 1 847 . 1 1 78 78 GLN H H 1 8.776 0.01 . . . . . A 78 GLN H . 19340 1 848 . 1 1 78 78 GLN HA H 1 3.813 0.01 . . . . . A 78 GLN HA . 19340 1 849 . 1 1 78 78 GLN HB2 H 1 1.953647 0.01 . . . . . A 78 GLN HB2 . 19340 1 850 . 1 1 78 78 GLN HB3 H 1 2.060747 0.01 . . . . . A 78 GLN HB3 . 19340 1 851 . 1 1 78 78 GLN HG2 H 1 2.215622 0.01 . . . . . A 78 GLN HG2 . 19340 1 852 . 1 1 78 78 GLN HG3 H 1 2.098326 0.01 . . . . . A 78 GLN HG3 . 19340 1 853 . 1 1 78 78 GLN HE21 H 1 7.065757 0.01 . . . . . A 78 GLN HE21 . 19340 1 854 . 1 1 78 78 GLN HE22 H 1 6.872969 0.01 . . . . . A 78 GLN HE22 . 19340 1 855 . 1 1 78 78 GLN CA C 13 58.633 0.3 . . . . . A 78 GLN CA . 19340 1 856 . 1 1 78 78 GLN CB C 13 32.439497 0.3 . . . . . A 78 GLN CB . 19340 1 857 . 1 1 78 78 GLN CG C 13 27.50479 0.3 . . . . . A 78 GLN CG . 19340 1 858 . 1 1 78 78 GLN N N 15 121.687 0.3 . . . . . A 78 GLN N . 19340 1 859 . 1 1 78 78 GLN NE2 N 15 112.52838 0.3 . . . . . A 78 GLN NE2 . 19340 1 860 . 1 1 79 79 LEU H H 1 7.99 0.01 . . . . . A 79 LEU H . 19340 1 861 . 1 1 79 79 LEU HA H 1 4.008 0.01 . . . . . A 79 LEU HA . 19340 1 862 . 1 1 79 79 LEU HB2 H 1 1.874905 0.01 . . . . . A 79 LEU HB2 . 19340 1 863 . 1 1 79 79 LEU HB3 H 1 1.344281 0.01 . . . . . A 79 LEU HB3 . 19340 1 864 . 1 1 79 79 LEU HG H 1 1.70734 0.01 . . . . . A 79 LEU HG . 19340 1 865 . 1 1 79 79 LEU HD11 H 1 0.886269 0.01 . . . . . A 79 LEU HD11 . 19340 1 866 . 1 1 79 79 LEU HD12 H 1 0.886269 0.01 . . . . . A 79 LEU HD12 . 19340 1 867 . 1 1 79 79 LEU HD13 H 1 0.886269 0.01 . . . . . A 79 LEU HD13 . 19340 1 868 . 1 1 79 79 LEU HD21 H 1 0.780144 0.01 . . . . . A 79 LEU HD21 . 19340 1 869 . 1 1 79 79 LEU HD22 H 1 0.780144 0.01 . . . . . A 79 LEU HD22 . 19340 1 870 . 1 1 79 79 LEU HD23 H 1 0.780144 0.01 . . . . . A 79 LEU HD23 . 19340 1 871 . 1 1 79 79 LEU CA C 13 57.736 0.3 . . . . . A 79 LEU CA . 19340 1 872 . 1 1 79 79 LEU CB C 13 42.543237 0.3 . . . . . A 79 LEU CB . 19340 1 873 . 1 1 79 79 LEU CG C 13 26.947811 0.3 . . . . . A 79 LEU CG . 19340 1 874 . 1 1 79 79 LEU CD1 C 13 25.806003 0.3 . . . . . A 79 LEU CD1 . 19340 1 875 . 1 1 79 79 LEU CD2 C 13 23.967971 0.3 . . . . . A 79 LEU CD2 . 19340 1 876 . 1 1 79 79 LEU N N 15 120.042 0.3 . . . . . A 79 LEU N . 19340 1 877 . 1 1 80 80 LEU H H 1 8.454 0.01 . . . . . A 80 LEU H . 19340 1 878 . 1 1 80 80 LEU HA H 1 3.824 0.01 . . . . . A 80 LEU HA . 19340 1 879 . 1 1 80 80 LEU HB2 H 1 1.835806 0.01 . . . . . A 80 LEU HB2 . 19340 1 880 . 1 1 80 80 LEU HB3 H 1 1.411307 0.01 . . . . . A 80 LEU HB3 . 19340 1 881 . 1 1 80 80 LEU HG H 1 1.640313 0.01 . . . . . A 80 LEU HG . 19340 1 882 . 1 1 80 80 LEU HD11 H 1 0.791315 0.01 . . . . . A 80 LEU HD11 . 19340 1 883 . 1 1 80 80 LEU HD12 H 1 0.791315 0.01 . . . . . A 80 LEU HD12 . 19340 1 884 . 1 1 80 80 LEU HD13 H 1 0.791315 0.01 . . . . . A 80 LEU HD13 . 19340 1 885 . 1 1 80 80 LEU HD21 H 1 0.668433 0.01 . . . . . A 80 LEU HD21 . 19340 1 886 . 1 1 80 80 LEU HD22 H 1 0.668433 0.01 . . . . . A 80 LEU HD22 . 19340 1 887 . 1 1 80 80 LEU HD23 H 1 0.668433 0.01 . . . . . A 80 LEU HD23 . 19340 1 888 . 1 1 80 80 LEU CA C 13 58.089 0.3 . . . . . A 80 LEU CA . 19340 1 889 . 1 1 80 80 LEU CB C 13 42.403992 0.3 . . . . . A 80 LEU CB . 19340 1 890 . 1 1 80 80 LEU CG C 13 26.947811 0.3 . . . . . A 80 LEU CG . 19340 1 891 . 1 1 80 80 LEU CD1 C 13 25.026232 0.3 . . . . . A 80 LEU CD1 . 19340 1 892 . 1 1 80 80 LEU CD2 C 13 24.24646 0.3 . . . . . A 80 LEU CD2 . 19340 1 893 . 1 1 80 80 LEU N N 15 122.157 0.3 . . . . . A 80 LEU N . 19340 1 894 . 1 1 81 81 SER H H 1 8.006 0.01 . . . . . A 81 SER H . 19340 1 895 . 1 1 81 81 SER HA H 1 3.897 0.01 . . . . . A 81 SER HA . 19340 1 896 . 1 1 81 81 SER HB2 H 1 3.852178 0.01 . . . . . A 81 SER HB2 . 19340 1 897 . 1 1 81 81 SER HB3 H 1 4.017644 0.01 . . . . . A 81 SER HB3 . 19340 1 898 . 1 1 81 81 SER CA C 13 61.756 0.3 . . . . . A 81 SER CA . 19340 1 899 . 1 1 81 81 SER CB C 13 63.485666 0.3 . . . . . A 81 SER CB . 19340 1 900 . 1 1 81 81 SER N N 15 114.179 0.3 . . . . . A 81 SER N . 19340 1 901 . 1 1 82 82 SER H H 1 7.16 0.01 . . . . . A 82 SER H . 19340 1 902 . 1 1 82 82 SER HA H 1 4.718 0.01 . . . . . A 82 SER HA . 19340 1 903 . 1 1 82 82 SER HB2 H 1 3.97506 0.01 . . . . . A 82 SER HB2 . 19340 1 904 . 1 1 82 82 SER HB3 H 1 3.97506 0.01 . . . . . A 82 SER HB3 . 19340 1 905 . 1 1 82 82 SER CA C 13 57.718 0.3 . . . . . A 82 SER CA . 19340 1 906 . 1 1 82 82 SER CB C 13 64.376833 0.3 . . . . . A 82 SER CB . 19340 1 907 . 1 1 82 82 SER N N 15 113.392 0.3 . . . . . A 82 SER N . 19340 1 908 . 1 1 83 83 SER H H 1 7.369 0.01 . . . . . A 83 SER H . 19340 1 909 . 1 1 83 83 SER HA H 1 4.885 0.01 . . . . . A 83 SER HA . 19340 1 910 . 1 1 83 83 SER HB2 H 1 3.695784 0.01 . . . . . A 83 SER HB2 . 19340 1 911 . 1 1 83 83 SER HB3 H 1 3.695784 0.01 . . . . . A 83 SER HB3 . 19340 1 912 . 1 1 83 83 SER CA C 13 59.263 0.3 . . . . . A 83 SER CA . 19340 1 913 . 1 1 83 83 SER CB C 13 65.351547 0.3 . . . . . A 83 SER CB . 19340 1 914 . 1 1 83 83 SER N N 15 117.607 0.3 . . . . . A 83 SER N . 19340 1 915 . 1 1 84 84 THR H H 1 8.488 0.01 . . . . . A 84 THR H . 19340 1 916 . 1 1 84 84 THR HA H 1 4.545 0.01 . . . . . A 84 THR HA . 19340 1 917 . 1 1 84 84 THR HB H 1 3.997402 0.01 . . . . . A 84 THR HB . 19340 1 918 . 1 1 84 84 THR HG21 H 1 1.210229 0.01 . . . . . A 84 THR HG21 . 19340 1 919 . 1 1 84 84 THR HG22 H 1 1.210229 0.01 . . . . . A 84 THR HG22 . 19340 1 920 . 1 1 84 84 THR HG23 H 1 1.210229 0.01 . . . . . A 84 THR HG23 . 19340 1 921 . 1 1 84 84 THR CA C 13 62.006 0.3 . . . . . A 84 THR CA . 19340 1 922 . 1 1 84 84 THR CB C 13 69.723836 0.3 . . . . . A 84 THR CB . 19340 1 923 . 1 1 84 84 THR CG2 C 13 21.712204 0.3 . . . . . A 84 THR CG2 . 19340 1 924 . 1 1 84 84 THR N N 15 117.656 0.3 . . . . . A 84 THR N . 19340 1 925 . 1 1 85 85 LEU H H 1 8.878 0.01 . . . . . A 85 LEU H . 19340 1 926 . 1 1 85 85 LEU HA H 1 4.288 0.01 . . . . . A 85 LEU HA . 19340 1 927 . 1 1 85 85 LEU HB2 H 1 1.635392 0.01 . . . . . A 85 LEU HB2 . 19340 1 928 . 1 1 85 85 LEU HB3 H 1 1.554047 0.01 . . . . . A 85 LEU HB3 . 19340 1 929 . 1 1 85 85 LEU HG H 1 1.785537 0.01 . . . . . A 85 LEU HG . 19340 1 930 . 1 1 85 85 LEU HD11 H 1 0.880683 0.01 . . . . . A 85 LEU HD11 . 19340 1 931 . 1 1 85 85 LEU HD12 H 1 0.880683 0.01 . . . . . A 85 LEU HD12 . 19340 1 932 . 1 1 85 85 LEU HD13 H 1 0.880683 0.01 . . . . . A 85 LEU HD13 . 19340 1 933 . 1 1 85 85 LEU HD21 H 1 0.780144 0.01 . . . . . A 85 LEU HD21 . 19340 1 934 . 1 1 85 85 LEU HD22 H 1 0.780144 0.01 . . . . . A 85 LEU HD22 . 19340 1 935 . 1 1 85 85 LEU HD23 H 1 0.780144 0.01 . . . . . A 85 LEU HD23 . 19340 1 936 . 1 1 85 85 LEU CA C 13 56.295 0.3 . . . . . A 85 LEU CA . 19340 1 937 . 1 1 85 85 LEU CB C 13 42.389935 0.3 . . . . . A 85 LEU CB . 19340 1 938 . 1 1 85 85 LEU CG C 13 27.365546 0.3 . . . . . A 85 LEU CG . 19340 1 939 . 1 1 85 85 LEU CD1 C 13 25.88955 0.3 . . . . . A 85 LEU CD1 . 19340 1 940 . 1 1 85 85 LEU CD2 C 13 24.859138 0.3 . . . . . A 85 LEU CD2 . 19340 1 941 . 1 1 85 85 LEU N N 15 130.429403 0.3 . . . . . A 85 LEU N . 19340 1 942 . 1 1 86 86 GLY H H 1 7.901 0.01 . . . . . A 86 GLY H . 19340 1 943 . 1 1 86 86 GLY HA2 H 1 3.695784 0.01 . . . . . A 86 GLY HA2 . 19340 1 944 . 1 1 86 86 GLY HA3 H 1 4.405144 0.01 . . . . . A 86 GLY HA3 . 19340 1 945 . 1 1 86 86 GLY CA C 13 43.802 0.3 . . . . . A 86 GLY CA . 19340 1 946 . 1 1 86 86 GLY N N 15 112.15 0.3 . . . . . A 86 GLY N . 19340 1 947 . 1 1 87 87 ALA H H 1 8.113 0.01 . . . . . A 87 ALA H . 19340 1 948 . 1 1 87 87 ALA HA H 1 4.284 0.01 . . . . . A 87 ALA HA . 19340 1 949 . 1 1 87 87 ALA HB1 H 1 1.299597 0.01 . . . . . A 87 ALA HB1 . 19340 1 950 . 1 1 87 87 ALA HB2 H 1 1.299597 0.01 . . . . . A 87 ALA HB2 . 19340 1 951 . 1 1 87 87 ALA HB3 H 1 1.299597 0.01 . . . . . A 87 ALA HB3 . 19340 1 952 . 1 1 87 87 ALA CA C 13 51.955 0.3 . . . . . A 87 ALA CA . 19340 1 953 . 1 1 87 87 ALA CB C 13 19.345041 0.3 . . . . . A 87 ALA CB . 19340 1 954 . 1 1 87 87 ALA N N 15 122.559 0.3 . . . . . A 87 ALA N . 19340 1 955 . 1 1 88 88 VAL H H 1 8.447 0.01 . . . . . A 88 VAL H . 19340 1 956 . 1 1 88 88 VAL HA H 1 3.807 0.01 . . . . . A 88 VAL HA . 19340 1 957 . 1 1 88 88 VAL HB H 1 1.964273 0.01 . . . . . A 88 VAL HB . 19340 1 958 . 1 1 88 88 VAL HG11 H 1 0.886269 0.01 . . . . . A 88 VAL HG11 . 19340 1 959 . 1 1 88 88 VAL HG12 H 1 0.886269 0.01 . . . . . A 88 VAL HG12 . 19340 1 960 . 1 1 88 88 VAL HG13 H 1 0.886269 0.01 . . . . . A 88 VAL HG13 . 19340 1 961 . 1 1 88 88 VAL HG21 H 1 0.729874 0.01 . . . . . A 88 VAL HG21 . 19340 1 962 . 1 1 88 88 VAL HG22 H 1 0.729874 0.01 . . . . . A 88 VAL HG22 . 19340 1 963 . 1 1 88 88 VAL HG23 H 1 0.729874 0.01 . . . . . A 88 VAL HG23 . 19340 1 964 . 1 1 88 88 VAL CA C 13 62.964 0.3 . . . . . A 88 VAL CA . 19340 1 965 . 1 1 88 88 VAL CB C 13 32.629002 0.3 . . . . . A 88 VAL CB . 19340 1 966 . 1 1 88 88 VAL CG1 C 13 22.320248 0.3 . . . . . A 88 VAL CG1 . 19340 1 967 . 1 1 88 88 VAL CG2 C 13 21.183073 0.3 . . . . . A 88 VAL CG2 . 19340 1 968 . 1 1 88 88 VAL N N 15 122.375 0.3 . . . . . A 88 VAL N . 19340 1 969 . 1 1 89 89 ASP H H 1 8.57 0.01 . . . . . A 89 ASP H . 19340 1 970 . 1 1 89 89 ASP HA H 1 4.858 0.01 . . . . . A 89 ASP HA . 19340 1 971 . 1 1 89 89 ASP HB2 H 1 2.830029 0.01 . . . . . A 89 ASP HB2 . 19340 1 972 . 1 1 89 89 ASP HB3 H 1 2.595437 0.01 . . . . . A 89 ASP HB3 . 19340 1 973 . 1 1 89 89 ASP CA C 13 52.602 0.3 . . . . . A 89 ASP CA . 19340 1 974 . 1 1 89 89 ASP CB C 13 40.8166 0.3 . . . . . A 89 ASP CB . 19340 1 975 . 1 1 89 89 ASP N N 15 127.408103 0.3 . . . . . A 89 ASP N . 19340 1 976 . 1 1 90 90 THR H H 1 8.539 0.01 . . . . . A 90 THR H . 19340 1 977 . 1 1 90 90 THR HA H 1 3.953 0.01 . . . . . A 90 THR HA . 19340 1 978 . 1 1 90 90 THR HB H 1 4.293434 0.01 . . . . . A 90 THR HB . 19340 1 979 . 1 1 90 90 THR HG21 H 1 1.199058 0.01 . . . . . A 90 THR HG21 . 19340 1 980 . 1 1 90 90 THR HG22 H 1 1.199058 0.01 . . . . . A 90 THR HG22 . 19340 1 981 . 1 1 90 90 THR HG23 H 1 1.199058 0.01 . . . . . A 90 THR HG23 . 19340 1 982 . 1 1 90 90 THR CA C 13 63.879 0.3 . . . . . A 90 THR CA . 19340 1 983 . 1 1 90 90 THR CB C 13 68.832669 0.3 . . . . . A 90 THR CB . 19340 1 984 . 1 1 90 90 THR CG2 C 13 22.046391 0.3 . . . . . A 90 THR CG2 . 19340 1 985 . 1 1 90 90 THR N N 15 116.481 0.3 . . . . . A 90 THR N . 19340 1 986 . 1 1 91 91 THR H H 1 8.335 0.01 . . . . . A 91 THR H . 19340 1 987 . 1 1 91 91 THR HA H 1 4.182 0.01 . . . . . A 91 THR HA . 19340 1 988 . 1 1 91 91 THR HB H 1 4.276677 0.01 . . . . . A 91 THR HB . 19340 1 989 . 1 1 91 91 THR HG21 H 1 1.271669 0.01 . . . . . A 91 THR HG21 . 19340 1 990 . 1 1 91 91 THR HG22 H 1 1.271669 0.01 . . . . . A 91 THR HG22 . 19340 1 991 . 1 1 91 91 THR HG23 H 1 1.271669 0.01 . . . . . A 91 THR HG23 . 19340 1 992 . 1 1 91 91 THR CA C 13 64.75 0.3 . . . . . A 91 THR CA . 19340 1 993 . 1 1 91 91 THR CB C 13 69.055461 0.3 . . . . . A 91 THR CB . 19340 1 994 . 1 1 91 91 THR CG2 C 13 21.990693 0.3 . . . . . A 91 THR CG2 . 19340 1 995 . 1 1 91 91 THR N N 15 114.681 0.3 . . . . . A 91 THR N . 19340 1 996 . 1 1 92 92 SER H H 1 7.642 0.01 . . . . . A 92 SER H . 19340 1 997 . 1 1 92 92 SER HA H 1 4.668 0.01 . . . . . A 92 SER HA . 19340 1 998 . 1 1 92 92 SER HB2 H 1 4.241809 0.01 . . . . . A 92 SER HB2 . 19340 1 999 . 1 1 92 92 SER HB3 H 1 3.868935 0.01 . . . . . A 92 SER HB3 . 19340 1 1000 . 1 1 92 92 SER CA C 13 58.46 0.3 . . . . . A 92 SER CA . 19340 1 1001 . 1 1 92 92 SER CB C 13 64.432531 0.3 . . . . . A 92 SER CB . 19340 1 1002 . 1 1 92 92 SER N N 15 114.236 0.3 . . . . . A 92 SER N . 19340 1 1003 . 1 1 93 93 ILE H H 1 7.276 0.01 . . . . . A 93 ILE H . 19340 1 1004 . 1 1 93 93 ILE HA H 1 3.813 0.01 . . . . . A 93 ILE HA . 19340 1 1005 . 1 1 93 93 ILE HB H 1 1.690583 0.01 . . . . . A 93 ILE HB . 19340 1 1006 . 1 1 93 93 ILE HG12 H 1 1.690583 0.01 . . . . . A 93 ILE HG12 . 19340 1 1007 . 1 1 93 93 ILE HG13 H 1 0.7969 0.01 . . . . . A 93 ILE HG13 . 19340 1 1008 . 1 1 93 93 ILE HG21 H 1 0.863927 0.01 . . . . . A 93 ILE HG21 . 19340 1 1009 . 1 1 93 93 ILE HG22 H 1 0.863927 0.01 . . . . . A 93 ILE HG22 . 19340 1 1010 . 1 1 93 93 ILE HG23 H 1 0.863927 0.01 . . . . . A 93 ILE HG23 . 19340 1 1011 . 1 1 93 93 ILE HD11 H 1 0.852755 0.01 . . . . . A 93 ILE HD11 . 19340 1 1012 . 1 1 93 93 ILE HD12 H 1 0.852755 0.01 . . . . . A 93 ILE HD12 . 19340 1 1013 . 1 1 93 93 ILE HD13 H 1 0.852755 0.01 . . . . . A 93 ILE HD13 . 19340 1 1014 . 1 1 93 93 ILE CA C 13 65.13 0.3 . . . . . A 93 ILE CA . 19340 1 1015 . 1 1 93 93 ILE CB C 13 38.198797 0.3 . . . . . A 93 ILE CB . 19340 1 1016 . 1 1 93 93 ILE CG1 C 13 30.011198 0.3 . . . . . A 93 ILE CG1 . 19340 1 1017 . 1 1 93 93 ILE CG2 C 13 18.147535 0.3 . . . . . A 93 ILE CG2 . 19340 1 1018 . 1 1 93 93 ILE CD1 C 13 13.858793 0.3 . . . . . A 93 ILE CD1 . 19340 1 1019 . 1 1 93 93 ILE N N 15 122.128 0.3 . . . . . A 93 ILE N . 19340 1 1020 . 1 1 94 94 GLY H H 1 8.756 0.01 . . . . . A 94 GLY H . 19340 1 1021 . 1 1 94 94 GLY HA2 H 1 3.908557 0.01 . . . . . A 94 GLY HA2 . 19340 1 1022 . 1 1 94 94 GLY HA3 H 1 3.797687 0.01 . . . . . A 94 GLY HA3 . 19340 1 1023 . 1 1 94 94 GLY CA C 13 46.999073 0.3 . . . . . A 94 GLY CA . 19340 1 1024 . 1 1 94 94 GLY N N 15 108.426 0.3 . . . . . A 94 GLY N . 19340 1 1025 . 1 1 95 95 LEU H H 1 7.568 0.01 . . . . . A 95 LEU H . 19340 1 1026 . 1 1 95 95 LEU HA H 1 4.282 0.01 . . . . . A 95 LEU HA . 19340 1 1027 . 1 1 95 95 LEU HB2 H 1 1.964273 0.01 . . . . . A 95 LEU HB2 . 19340 1 1028 . 1 1 95 95 LEU HB3 H 1 1.757609 0.01 . . . . . A 95 LEU HB3 . 19340 1 1029 . 1 1 95 95 LEU HG H 1 1.735267 0.01 . . . . . A 95 LEU HG . 19340 1 1030 . 1 1 95 95 LEU HD11 H 1 0.964466 0.01 . . . . . A 95 LEU HD11 . 19340 1 1031 . 1 1 95 95 LEU HD12 H 1 0.964466 0.01 . . . . . A 95 LEU HD12 . 19340 1 1032 . 1 1 95 95 LEU HD13 H 1 0.964466 0.01 . . . . . A 95 LEU HD13 . 19340 1 1033 . 1 1 95 95 LEU HD21 H 1 0.908611 0.01 . . . . . A 95 LEU HD21 . 19340 1 1034 . 1 1 95 95 LEU HD22 H 1 0.908611 0.01 . . . . . A 95 LEU HD22 . 19340 1 1035 . 1 1 95 95 LEU HD23 H 1 0.908611 0.01 . . . . . A 95 LEU HD23 . 19340 1 1036 . 1 1 95 95 LEU CA C 13 58.029 0.3 . . . . . A 95 LEU CA . 19340 1 1037 . 1 1 95 95 LEU CB C 13 41.262184 0.3 . . . . . A 95 LEU CB . 19340 1 1038 . 1 1 95 95 LEU CG C 13 27.170603 0.3 . . . . . A 95 LEU CG . 19340 1 1039 . 1 1 95 95 LEU CD1 C 13 24.831289 0.3 . . . . . A 95 LEU CD1 . 19340 1 1040 . 1 1 95 95 LEU CD2 C 13 23.774132 0.3 . . . . . A 95 LEU CD2 . 19340 1 1041 . 1 1 95 95 LEU N N 15 123.674 0.3 . . . . . A 95 LEU N . 19340 1 1042 . 1 1 96 96 THR H H 1 8.43 0.01 . . . . . A 96 THR H . 19340 1 1043 . 1 1 96 96 THR HA H 1 3.837 0.01 . . . . . A 96 THR HA . 19340 1 1044 . 1 1 96 96 THR HB H 1 4.181724 0.01 . . . . . A 96 THR HB . 19340 1 1045 . 1 1 96 96 THR HG21 H 1 1.12086 0.01 . . . . . A 96 THR HG21 . 19340 1 1046 . 1 1 96 96 THR HG22 H 1 1.12086 0.01 . . . . . A 96 THR HG22 . 19340 1 1047 . 1 1 96 96 THR HG23 H 1 1.12086 0.01 . . . . . A 96 THR HG23 . 19340 1 1048 . 1 1 96 96 THR CA C 13 66.683 0.3 . . . . . A 96 THR CA . 19340 1 1049 . 1 1 96 96 THR CB C 13 67.969351 0.3 . . . . . A 96 THR CB . 19340 1 1050 . 1 1 96 96 THR CG2 C 13 23.466689 0.3 . . . . . A 96 THR CG2 . 19340 1 1051 . 1 1 96 96 THR N N 15 119.717 0.3 . . . . . A 96 THR N . 19340 1 1052 . 1 1 97 97 SER H H 1 9 0.01 . . . . . A 97 SER H . 19340 1 1053 . 1 1 97 97 SER HA H 1 4.094 0.01 . . . . . A 97 SER HA . 19340 1 1054 . 1 1 97 97 SER HB2 H 1 4.008573 0.01 . . . . . A 97 SER HB2 . 19340 1 1055 . 1 1 97 97 SER HB3 H 1 4.008573 0.01 . . . . . A 97 SER HB3 . 19340 1 1056 . 1 1 97 97 SER CA C 13 62.507 0.3 . . . . . A 97 SER CA . 19340 1 1057 . 1 1 97 97 SER CB C 13 62.845139 0.3 . . . . . A 97 SER CB . 19340 1 1058 . 1 1 97 97 SER N N 15 117.285 0.3 . . . . . A 97 SER N . 19340 1 1059 . 1 1 98 98 ASN H H 1 7.939 0.01 . . . . . A 98 ASN H . 19340 1 1060 . 1 1 98 98 ASN HA H 1 4.388 0.01 . . . . . A 98 ASN HA . 19340 1 1061 . 1 1 98 98 ASN HB2 H 1 3.01956 0.01 . . . . . A 98 ASN HB2 . 19340 1 1062 . 1 1 98 98 ASN HB3 H 1 2.898532 0.01 . . . . . A 98 ASN HB3 . 19340 1 1063 . 1 1 98 98 ASN HD21 H 1 7.723423 0.01 . . . . . A 98 ASN HD21 . 19340 1 1064 . 1 1 98 98 ASN HD22 H 1 6.898947 0.01 . . . . . A 98 ASN HD22 . 19340 1 1065 . 1 1 98 98 ASN CA C 13 56.882 0.3 . . . . . A 98 ASN CA . 19340 1 1066 . 1 1 98 98 ASN CB C 13 38.834233 0.3 . . . . . A 98 ASN CB . 19340 1 1067 . 1 1 98 98 ASN N N 15 121.846 0.3 . . . . . A 98 ASN N . 19340 1 1068 . 1 1 98 98 ASN ND2 N 15 111.986211 0.3 . . . . . A 98 ASN ND2 . 19340 1 1069 . 1 1 99 99 SER H H 1 8.369604 0.01 . . . . . A 99 SER H . 19340 1 1070 . 1 1 99 99 SER HA H 1 4.204 0.01 . . . . . A 99 SER HA . 19340 1 1071 . 1 1 99 99 SER HB2 H 1 3.796323 0.01 . . . . . A 99 SER HB2 . 19340 1 1072 . 1 1 99 99 SER HB3 H 1 3.796323 0.01 . . . . . A 99 SER HB3 . 19340 1 1073 . 1 1 99 99 SER CA C 13 62.886 0.3 . . . . . A 99 SER CA . 19340 1 1074 . 1 1 99 99 SER CB C 13 62.984384 0.3 . . . . . A 99 SER CB . 19340 1 1075 . 1 1 99 99 SER N N 15 117.585 0.3 . . . . . A 99 SER N . 19340 1 1076 . 1 1 100 100 VAL H H 1 8.565 0.01 . . . . . A 100 VAL H . 19340 1 1077 . 1 1 100 100 VAL HA H 1 3.551 0.01 . . . . . A 100 VAL HA . 19340 1 1078 . 1 1 100 100 VAL HB H 1 2.159766 0.01 . . . . . A 100 VAL HB . 19340 1 1079 . 1 1 100 100 VAL HG11 H 1 1.079187 0.01 . . . . . A 100 VAL HG11 . 19340 1 1080 . 1 1 100 100 VAL HG12 H 1 1.079187 0.01 . . . . . A 100 VAL HG12 . 19340 1 1081 . 1 1 100 100 VAL HG13 H 1 1.079187 0.01 . . . . . A 100 VAL HG13 . 19340 1 1082 . 1 1 100 100 VAL HG21 H 1 0.863799 0.01 . . . . . A 100 VAL HG21 . 19340 1 1083 . 1 1 100 100 VAL HG22 H 1 0.863799 0.01 . . . . . A 100 VAL HG22 . 19340 1 1084 . 1 1 100 100 VAL HG23 H 1 0.863799 0.01 . . . . . A 100 VAL HG23 . 19340 1 1085 . 1 1 100 100 VAL CA C 13 67.951 0.3 . . . . . A 100 VAL CA . 19340 1 1086 . 1 1 100 100 VAL CB C 13 31.654288 0.3 . . . . . A 100 VAL CB . 19340 1 1087 . 1 1 100 100 VAL CG1 C 13 24.536579 0.3 . . . . . A 100 VAL CG1 . 19340 1 1088 . 1 1 100 100 VAL CG2 C 13 21.38712 0.3 . . . . . A 100 VAL CG2 . 19340 1 1089 . 1 1 100 100 VAL N N 15 121.524 0.3 . . . . . A 100 VAL N . 19340 1 1090 . 1 1 101 101 SER H H 1 8.272 0.01 . . . . . A 101 SER H . 19340 1 1091 . 1 1 101 101 SER HA H 1 3.875 0.01 . . . . . A 101 SER HA . 19340 1 1092 . 1 1 101 101 SER HB2 H 1 4.030915 0.01 . . . . . A 101 SER HB2 . 19340 1 1093 . 1 1 101 101 SER HB3 H 1 4.030915 0.01 . . . . . A 101 SER HB3 . 19340 1 1094 . 1 1 101 101 SER CA C 13 62.326 0.3 . . . . . A 101 SER CA . 19340 1 1095 . 1 1 101 101 SER CB C 13 63.262874 0.3 . . . . . A 101 SER CB . 19340 1 1096 . 1 1 101 101 SER N N 15 113.005489 0.3 . . . . . A 101 SER N . 19340 1 1097 . 1 1 102 102 LYS H H 1 7.953 0.01 . . . . . A 102 LYS H . 19340 1 1098 . 1 1 102 102 LYS HA H 1 4.02 0.01 . . . . . A 102 LYS HA . 19340 1 1099 . 1 1 102 102 LYS HB2 H 1 1.919316 0.01 . . . . . A 102 LYS HB2 . 19340 1 1100 . 1 1 102 102 LYS HB3 H 1 1.820904 0.01 . . . . . A 102 LYS HB3 . 19340 1 1101 . 1 1 102 102 LYS HG2 H 1 1.366623 0.01 . . . . . A 102 LYS HG2 . 19340 1 1102 . 1 1 102 102 LYS HG3 H 1 1.573287 0.01 . . . . . A 102 LYS HG3 . 19340 1 1103 . 1 1 102 102 LYS HD2 H 1 1.684998 0.01 . . . . . A 102 LYS HD2 . 19340 1 1104 . 1 1 102 102 LYS HD3 H 1 1.684998 0.01 . . . . . A 102 LYS HD3 . 19340 1 1105 . 1 1 102 102 LYS HE2 H 1 2.964081 0.01 . . . . . A 102 LYS HE2 . 19340 1 1106 . 1 1 102 102 LYS HE3 H 1 2.964081 0.01 . . . . . A 102 LYS HE3 . 19340 1 1107 . 1 1 102 102 LYS CA C 13 59.599 0.3 . . . . . A 102 LYS CA . 19340 1 1108 . 1 1 102 102 LYS CB C 13 33.143407 0.3 . . . . . A 102 LYS CB . 19340 1 1109 . 1 1 102 102 LYS CG C 13 25.360419 0.3 . . . . . A 102 LYS CG . 19340 1 1110 . 1 1 102 102 LYS CD C 13 29.509917 0.3 . . . . . A 102 LYS CD . 19340 1 1111 . 1 1 102 102 LYS CE C 13 42.320445 0.3 . . . . . A 102 LYS CE . 19340 1 1112 . 1 1 102 102 LYS N N 15 119.357 0.3 . . . . . A 102 LYS N . 19340 1 1113 . 1 1 103 103 ALA H H 1 8.049 0.01 . . . . . A 103 ALA H . 19340 1 1114 . 1 1 103 103 ALA HA H 1 4.243164 0.01 . . . . . A 103 ALA HA . 19340 1 1115 . 1 1 103 103 ALA HB1 H 1 1.232571 0.01 . . . . . A 103 ALA HB1 . 19340 1 1116 . 1 1 103 103 ALA HB2 H 1 1.232571 0.01 . . . . . A 103 ALA HB2 . 19340 1 1117 . 1 1 103 103 ALA HB3 H 1 1.232571 0.01 . . . . . A 103 ALA HB3 . 19340 1 1118 . 1 1 103 103 ALA CA C 13 54.587 0.3 . . . . . A 103 ALA CA . 19340 1 1119 . 1 1 103 103 ALA CB C 13 20.626094 0.3 . . . . . A 103 ALA CB . 19340 1 1120 . 1 1 103 103 ALA N N 15 120.882 0.3 . . . . . A 103 ALA N . 19340 1 1121 . 1 1 104 104 VAL H H 1 8.572 0.01 . . . . . A 104 VAL H . 19340 1 1122 . 1 1 104 104 VAL HA H 1 3.249 0.01 . . . . . A 104 VAL HA . 19340 1 1123 . 1 1 104 104 VAL HB H 1 2.09274 0.01 . . . . . A 104 VAL HB . 19340 1 1124 . 1 1 104 104 VAL HG11 H 1 0.830413 0.01 . . . . . A 104 VAL HG11 . 19340 1 1125 . 1 1 104 104 VAL HG12 H 1 0.830413 0.01 . . . . . A 104 VAL HG12 . 19340 1 1126 . 1 1 104 104 VAL HG13 H 1 0.830413 0.01 . . . . . A 104 VAL HG13 . 19340 1 1127 . 1 1 104 104 VAL HG21 H 1 0.911859 0.01 . . . . . A 104 VAL HG21 . 19340 1 1128 . 1 1 104 104 VAL HG22 H 1 0.911859 0.01 . . . . . A 104 VAL HG22 . 19340 1 1129 . 1 1 104 104 VAL HG23 H 1 0.911859 0.01 . . . . . A 104 VAL HG23 . 19340 1 1130 . 1 1 104 104 VAL CA C 13 67.114 0.3 . . . . . A 104 VAL CA . 19340 1 1131 . 1 1 104 104 VAL CB C 13 31.013761 0.3 . . . . . A 104 VAL CB . 19340 1 1132 . 1 1 104 104 VAL CG1 C 13 23.281014 0.3 . . . . . A 104 VAL CG1 . 19340 1 1133 . 1 1 104 104 VAL CG2 C 13 22.756479 0.3 . . . . . A 104 VAL CG2 . 19340 1 1134 . 1 1 104 104 VAL N N 15 116.191 0.3 . . . . . A 104 VAL N . 19340 1 1135 . 1 1 105 105 ALA H H 1 8.347 0.01 . . . . . A 105 ALA H . 19340 1 1136 . 1 1 105 105 ALA HA H 1 3.891 0.01 . . . . . A 105 ALA HA . 19340 1 1137 . 1 1 105 105 ALA HB1 H 1 1.467162 0.01 . . . . . A 105 ALA HB1 . 19340 1 1138 . 1 1 105 105 ALA HB2 H 1 1.467162 0.01 . . . . . A 105 ALA HB2 . 19340 1 1139 . 1 1 105 105 ALA HB3 H 1 1.467162 0.01 . . . . . A 105 ALA HB3 . 19340 1 1140 . 1 1 105 105 ALA CA C 13 55.303 0.3 . . . . . A 105 ALA CA . 19340 1 1141 . 1 1 105 105 ALA CB C 13 18.481723 0.3 . . . . . A 105 ALA CB . 19340 1 1142 . 1 1 105 105 ALA N N 15 121.884 0.3 . . . . . A 105 ALA N . 19340 1 1143 . 1 1 106 106 GLN H H 1 7.838 0.01 . . . . . A 106 GLN H . 19340 1 1144 . 1 1 106 106 GLN HA H 1 4.031 0.01 . . . . . A 106 GLN HA . 19340 1 1145 . 1 1 106 106 GLN HB2 H 1 2.656877 0.01 . . . . . A 106 GLN HB2 . 19340 1 1146 . 1 1 106 106 GLN HB3 H 1 2.316161 0.01 . . . . . A 106 GLN HB3 . 19340 1 1147 . 1 1 106 106 GLN HG2 H 1 1.98103 0.01 . . . . . A 106 GLN HG2 . 19340 1 1148 . 1 1 106 106 GLN HG3 H 1 2.115082 0.01 . . . . . A 106 GLN HG3 . 19340 1 1149 . 1 1 106 106 GLN HE21 H 1 7.012432 0.01 . . . . . A 106 GLN HE21 . 19340 1 1150 . 1 1 106 106 GLN HE22 H 1 6.879805 0.01 . . . . . A 106 GLN HE22 . 19340 1 1151 . 1 1 106 106 GLN CA C 13 58.348 0.3 . . . . . A 106 GLN CA . 19340 1 1152 . 1 1 106 106 GLN CB C 13 35.246805 0.3 . . . . . A 106 GLN CB . 19340 1 1153 . 1 1 106 106 GLN CG C 13 29.621313 0.3 . . . . . A 106 GLN CG . 19340 1 1154 . 1 1 106 106 GLN N N 15 113.657 0.3 . . . . . A 106 GLN N . 19340 1 1155 . 1 1 106 106 GLN NE2 N 15 110.099464 0.3 . . . . . A 106 GLN NE2 . 19340 1 1156 . 1 1 107 107 ALA H H 1 8.145 0.01 . . . . . A 107 ALA H . 19340 1 1157 . 1 1 107 107 ALA HA H 1 4.254 0.01 . . . . . A 107 ALA HA . 19340 1 1158 . 1 1 107 107 ALA HB1 H 1 1.338695 0.01 . . . . . A 107 ALA HB1 . 19340 1 1159 . 1 1 107 107 ALA HB2 H 1 1.338695 0.01 . . . . . A 107 ALA HB2 . 19340 1 1160 . 1 1 107 107 ALA HB3 H 1 1.338695 0.01 . . . . . A 107 ALA HB3 . 19340 1 1161 . 1 1 107 107 ALA CA C 13 54.155 0.3 . . . . . A 107 ALA CA . 19340 1 1162 . 1 1 107 107 ALA CB C 13 22.157787 0.3 . . . . . A 107 ALA CB . 19340 1 1163 . 1 1 107 107 ALA N N 15 117.818 0.3 . . . . . A 107 ALA N . 19340 1 1164 . 1 1 108 108 LEU H H 1 8.341 0.01 . . . . . A 108 LEU H . 19340 1 1165 . 1 1 108 108 LEU HA H 1 4.422 0.01 . . . . . A 108 LEU HA . 19340 1 1166 . 1 1 108 108 LEU HB2 H 1 1.310768 0.01 . . . . . A 108 LEU HB2 . 19340 1 1167 . 1 1 108 108 LEU HB3 H 1 1.774366 0.01 . . . . . A 108 LEU HB3 . 19340 1 1168 . 1 1 108 108 LEU HG H 1 1.562116 0.01 . . . . . A 108 LEU HG . 19340 1 1169 . 1 1 108 108 LEU HD11 H 1 0.791315 0.01 . . . . . A 108 LEU HD11 . 19340 1 1170 . 1 1 108 108 LEU HD12 H 1 0.791315 0.01 . . . . . A 108 LEU HD12 . 19340 1 1171 . 1 1 108 108 LEU HD13 H 1 0.791315 0.01 . . . . . A 108 LEU HD13 . 19340 1 1172 . 1 1 108 108 LEU HD21 H 1 0.696361 0.01 . . . . . A 108 LEU HD21 . 19340 1 1173 . 1 1 108 108 LEU HD22 H 1 0.696361 0.01 . . . . . A 108 LEU HD22 . 19340 1 1174 . 1 1 108 108 LEU HD23 H 1 0.696361 0.01 . . . . . A 108 LEU HD23 . 19340 1 1175 . 1 1 108 108 LEU CA C 13 54.405 0.3 . . . . . A 108 LEU CA . 19340 1 1176 . 1 1 108 108 LEU CB C 13 42.654633 0.3 . . . . . A 108 LEU CB . 19340 1 1177 . 1 1 108 108 LEU CG C 13 27.421244 0.3 . . . . . A 108 LEU CG . 19340 1 1178 . 1 1 108 108 LEU CD1 C 13 25.778154 0.3 . . . . . A 108 LEU CD1 . 19340 1 1179 . 1 1 108 108 LEU CD2 C 13 23.967971 0.3 . . . . . A 108 LEU CD2 . 19340 1 1180 . 1 1 108 108 LEU N N 15 113.428 0.3 . . . . . A 108 LEU N . 19340 1 1181 . 1 1 109 109 ALA H H 1 7.152 0.01 . . . . . A 109 ALA H . 19340 1 1182 . 1 1 109 109 ALA HA H 1 4.081 0.01 . . . . . A 109 ALA HA . 19340 1 1183 . 1 1 109 109 ALA HB1 H 1 1.400136 0.01 . . . . . A 109 ALA HB1 . 19340 1 1184 . 1 1 109 109 ALA HB2 H 1 1.400136 0.01 . . . . . A 109 ALA HB2 . 19340 1 1185 . 1 1 109 109 ALA HB3 H 1 1.400136 0.01 . . . . . A 109 ALA HB3 . 19340 1 1186 . 1 1 109 109 ALA CA C 13 54.906 0.3 . . . . . A 109 ALA CA . 19340 1 1187 . 1 1 109 109 ALA CB C 13 19.957718 0.3 . . . . . A 109 ALA CB . 19340 1 1188 . 1 1 109 109 ALA N N 15 126.317503 0.3 . . . . . A 109 ALA N . 19340 1 stop_ save_