data_18811 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18811 _Entry.Title ; Structural Characterization of Minor Ampullate Spidroin Domains and their Distinct Roles in Fibroin Solubility and Fiber Formation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-30 _Entry.Accession_date 2012-10-30 _Entry.Last_release_date 2013-02-21 _Entry.Original_release_date 2013-02-21 _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 Daiwen Yang . . . 18811 2 Zhenwei Gao . . . 18811 3 Zhi Lin . . . 18811 4 Weidong Huang . . . 18811 5 'Chong Cheong' Lai . . . 18811 6 Jing-song Fan . . . 18811 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' . 18811 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CTD . 18811 Dimer . 18811 MiSp1 . 18811 'Spider silk protein' . 18811 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18811 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 313 18811 '15N chemical shifts' 112 18811 '1H chemical shifts' 678 18811 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-02-21 2012-10-30 original author . 18811 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M0M 'BMRB Entry Tracking System' 18811 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18811 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23418525 _Citation.Full_citation . _Citation.Title 'Structural characterization of minor ampullate spidroin domains and their distinct roles in fibroin solubility and fiber formation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 8 _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 e56142 _Citation.Page_last e56142 _Citation.Year 2013 _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 Zhenwei Gao . . . 18811 1 2 Zhi Lin . . . 18811 1 3 Weidong Huang . . . 18811 1 4 'Chong Cheong' Lai . . . 18811 1 5 Jing-Song Fan . . . 18811 1 6 Daiwen Yang . . . 18811 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18811 _Assembly.ID 1 _Assembly.Name Spidroin _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 Spidroin_1 1 $Spidroin A . yes native no no . . . 18811 1 2 Spidroin_2 1 $Spidroin B . yes native no no . . . 18811 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Spidroin _Entity.Sf_category entity _Entity.Sf_framecode Spidroin _Entity.Entry_ID 18811 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Spidroin _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 ; VGTTVASTTSRLSTAEASSR ISTAASTLVSGGYLNTAALP SVIADLFAQVGASSPGVSDS EVLIQVLLEIVSSLIHILSS SSVGQVDFSSVGSSAAAVGQ SMQVVMG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10505.787 _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 2M0M . "Structural Characterization Of Minor Ampullate Spidroin Domains And Their Distinct Roles In Fibroin Solubility And Fiber Format" . . . . . 100.00 107 100.00 100.00 3.13e-53 . . . . 18811 1 2 no GB AAC14589 . "minor ampullate silk protein MiSp1 [Nephila clavipes]" . . . . . 97.20 988 97.12 100.00 4.49e-36 . . . . 18811 1 3 no GB ABC72645 . "minor ampullate fibroin 1 [Nephila antipodiana]" . . . . . 100.00 356 100.00 100.00 1.03e-50 . . . . 18811 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 17 VAL . 18811 1 2 18 GLY . 18811 1 3 19 THR . 18811 1 4 20 THR . 18811 1 5 21 VAL . 18811 1 6 22 ALA . 18811 1 7 23 SER . 18811 1 8 24 THR . 18811 1 9 25 THR . 18811 1 10 26 SER . 18811 1 11 27 ARG . 18811 1 12 28 LEU . 18811 1 13 29 SER . 18811 1 14 30 THR . 18811 1 15 31 ALA . 18811 1 16 32 GLU . 18811 1 17 33 ALA . 18811 1 18 34 SER . 18811 1 19 35 SER . 18811 1 20 36 ARG . 18811 1 21 37 ILE . 18811 1 22 38 SER . 18811 1 23 39 THR . 18811 1 24 40 ALA . 18811 1 25 41 ALA . 18811 1 26 42 SER . 18811 1 27 43 THR . 18811 1 28 44 LEU . 18811 1 29 45 VAL . 18811 1 30 46 SER . 18811 1 31 47 GLY . 18811 1 32 48 GLY . 18811 1 33 49 TYR . 18811 1 34 50 LEU . 18811 1 35 51 ASN . 18811 1 36 52 THR . 18811 1 37 53 ALA . 18811 1 38 54 ALA . 18811 1 39 55 LEU . 18811 1 40 56 PRO . 18811 1 41 57 SER . 18811 1 42 58 VAL . 18811 1 43 59 ILE . 18811 1 44 60 ALA . 18811 1 45 61 ASP . 18811 1 46 62 LEU . 18811 1 47 63 PHE . 18811 1 48 64 ALA . 18811 1 49 65 GLN . 18811 1 50 66 VAL . 18811 1 51 67 GLY . 18811 1 52 68 ALA . 18811 1 53 69 SER . 18811 1 54 70 SER . 18811 1 55 71 PRO . 18811 1 56 72 GLY . 18811 1 57 73 VAL . 18811 1 58 74 SER . 18811 1 59 75 ASP . 18811 1 60 76 SER . 18811 1 61 77 GLU . 18811 1 62 78 VAL . 18811 1 63 79 LEU . 18811 1 64 80 ILE . 18811 1 65 81 GLN . 18811 1 66 82 VAL . 18811 1 67 83 LEU . 18811 1 68 84 LEU . 18811 1 69 85 GLU . 18811 1 70 86 ILE . 18811 1 71 87 VAL . 18811 1 72 88 SER . 18811 1 73 89 SER . 18811 1 74 90 LEU . 18811 1 75 91 ILE . 18811 1 76 92 HIS . 18811 1 77 93 ILE . 18811 1 78 94 LEU . 18811 1 79 95 SER . 18811 1 80 96 SER . 18811 1 81 97 SER . 18811 1 82 98 SER . 18811 1 83 99 VAL . 18811 1 84 100 GLY . 18811 1 85 101 GLN . 18811 1 86 102 VAL . 18811 1 87 103 ASP . 18811 1 88 104 PHE . 18811 1 89 105 SER . 18811 1 90 106 SER . 18811 1 91 107 VAL . 18811 1 92 108 GLY . 18811 1 93 109 SER . 18811 1 94 110 SER . 18811 1 95 111 ALA . 18811 1 96 112 ALA . 18811 1 97 113 ALA . 18811 1 98 114 VAL . 18811 1 99 115 GLY . 18811 1 100 116 GLN . 18811 1 101 117 SER . 18811 1 102 118 MET . 18811 1 103 119 GLN . 18811 1 104 120 VAL . 18811 1 105 121 VAL . 18811 1 106 122 MET . 18811 1 107 123 GLY . 18811 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 . VAL 1 1 18811 1 . GLY 2 2 18811 1 . THR 3 3 18811 1 . THR 4 4 18811 1 . VAL 5 5 18811 1 . ALA 6 6 18811 1 . SER 7 7 18811 1 . THR 8 8 18811 1 . THR 9 9 18811 1 . SER 10 10 18811 1 . ARG 11 11 18811 1 . LEU 12 12 18811 1 . SER 13 13 18811 1 . THR 14 14 18811 1 . ALA 15 15 18811 1 . GLU 16 16 18811 1 . ALA 17 17 18811 1 . SER 18 18 18811 1 . SER 19 19 18811 1 . ARG 20 20 18811 1 . ILE 21 21 18811 1 . SER 22 22 18811 1 . THR 23 23 18811 1 . ALA 24 24 18811 1 . ALA 25 25 18811 1 . SER 26 26 18811 1 . THR 27 27 18811 1 . LEU 28 28 18811 1 . VAL 29 29 18811 1 . SER 30 30 18811 1 . GLY 31 31 18811 1 . GLY 32 32 18811 1 . TYR 33 33 18811 1 . LEU 34 34 18811 1 . ASN 35 35 18811 1 . THR 36 36 18811 1 . ALA 37 37 18811 1 . ALA 38 38 18811 1 . LEU 39 39 18811 1 . PRO 40 40 18811 1 . SER 41 41 18811 1 . VAL 42 42 18811 1 . ILE 43 43 18811 1 . ALA 44 44 18811 1 . ASP 45 45 18811 1 . LEU 46 46 18811 1 . PHE 47 47 18811 1 . ALA 48 48 18811 1 . GLN 49 49 18811 1 . VAL 50 50 18811 1 . GLY 51 51 18811 1 . ALA 52 52 18811 1 . SER 53 53 18811 1 . SER 54 54 18811 1 . PRO 55 55 18811 1 . GLY 56 56 18811 1 . VAL 57 57 18811 1 . SER 58 58 18811 1 . ASP 59 59 18811 1 . SER 60 60 18811 1 . GLU 61 61 18811 1 . VAL 62 62 18811 1 . LEU 63 63 18811 1 . ILE 64 64 18811 1 . GLN 65 65 18811 1 . VAL 66 66 18811 1 . LEU 67 67 18811 1 . LEU 68 68 18811 1 . GLU 69 69 18811 1 . ILE 70 70 18811 1 . VAL 71 71 18811 1 . SER 72 72 18811 1 . SER 73 73 18811 1 . LEU 74 74 18811 1 . ILE 75 75 18811 1 . HIS 76 76 18811 1 . ILE 77 77 18811 1 . LEU 78 78 18811 1 . SER 79 79 18811 1 . SER 80 80 18811 1 . SER 81 81 18811 1 . SER 82 82 18811 1 . VAL 83 83 18811 1 . GLY 84 84 18811 1 . GLN 85 85 18811 1 . VAL 86 86 18811 1 . ASP 87 87 18811 1 . PHE 88 88 18811 1 . SER 89 89 18811 1 . SER 90 90 18811 1 . VAL 91 91 18811 1 . GLY 92 92 18811 1 . SER 93 93 18811 1 . SER 94 94 18811 1 . ALA 95 95 18811 1 . ALA 96 96 18811 1 . ALA 97 97 18811 1 . VAL 98 98 18811 1 . GLY 99 99 18811 1 . GLN 100 100 18811 1 . SER 101 101 18811 1 . MET 102 102 18811 1 . GLN 103 103 18811 1 . VAL 104 104 18811 1 . VAL 105 105 18811 1 . MET 106 106 18811 1 . GLY 107 107 18811 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 18811 _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 $Spidroin . 171624 organism . 'Nephila antipodiana' Spiders . . Eukaryota Metazoa Nephila antipodiana . . . . . . . . . . . . . . . . . . . . . 18811 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 18811 _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 $Spidroin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET-32a derived' . . . . . . 18811 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18811 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 CTD '[U-100% 13C; U-100% 15N]' . . . . . . 1 . . mM . . . . 18811 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18811 1 3 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 18811 1 4 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 18811 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18811 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18811 1 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 18811 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18811 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.06 . M 18811 1 pH 6.8 . pH 18811 1 pressure 1 . atm 18811 1 temperature 307 . K 18811 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18811 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18811 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18811 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18811 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18811 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18811 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18811 _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' . . 18811 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18811 3 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 18811 _Software.ID 4 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 18811 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18811 4 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18811 _Software.ID 5 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18811 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18811 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18811 _Software.ID 6 _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' . . 18811 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18811 6 stop_ save_ save_NMRspy _Software.Sf_category software _Software.Sf_framecode NMRspy _Software.Entry_ID 18811 _Software.ID 7 _Software.Name NMRspy _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Daiwen Yang, Yu Zheng' . . 18811 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18811 7 'NOE assignment' 18811 7 'peak picking' 18811 7 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 18811 _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 18811 _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 . . . 18811 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 18811 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18811 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18811 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18811 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18811 1 5 '3D MQ-CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18811 1 6 '4D 13C, 15N-edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18811 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18811 _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 carbon' . . . . ppm 0 external direct 0.04 . . . . . . . . . 18811 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 18811 1 N 15 DSS 'methyl carbon' . . . . ppm 0 external indirect 0.1 . . . . . . . . . 18811 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 18811 _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 6 '4D 13C, 15N-edited NOESY' . . . 18811 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 VAL HA H 1 4.05791 0.03 . 1 . . . A 17 VAL HA . 18811 1 2 . 1 1 1 1 VAL HB H 1 2.147487 0.03 . 1 . . . A 17 VAL HB . 18811 1 3 . 1 1 1 1 VAL HG11 H 1 0.973685 0.03 . 1 . . . A 17 VAL HG11 . 18811 1 4 . 1 1 1 1 VAL HG12 H 1 0.973685 0.03 . 1 . . . A 17 VAL HG12 . 18811 1 5 . 1 1 1 1 VAL HG13 H 1 0.973685 0.03 . 1 . . . A 17 VAL HG13 . 18811 1 6 . 1 1 1 1 VAL HG21 H 1 0.877864 0.03 . 1 . . . A 17 VAL HG21 . 18811 1 7 . 1 1 1 1 VAL HG22 H 1 0.877864 0.03 . 1 . . . A 17 VAL HG22 . 18811 1 8 . 1 1 1 1 VAL HG23 H 1 0.877864 0.03 . 1 . . . A 17 VAL HG23 . 18811 1 9 . 1 1 1 1 VAL H H 1 8.547 0.03 . 1 . . . A 17 VAL H1 . 18811 1 10 . 1 1 1 1 VAL CA C 13 64.431531 0.3 . 1 . . . A 17 VAL CA . 18811 1 11 . 1 1 1 1 VAL CB C 13 32.233229 0.3 . 1 . . . A 17 VAL CB . 18811 1 12 . 1 1 1 1 VAL CG1 C 13 22.602371 0.3 . 1 . . . A 17 VAL CG1 . 18811 1 13 . 1 1 1 1 VAL CG2 C 13 21.237772 0.3 . 1 . . . A 17 VAL CG2 . 18811 1 14 . 1 1 1 1 VAL N N 15 121.456692 0.3 . 1 . . . A 17 VAL N . 18811 1 15 . 1 1 2 2 GLY H H 1 8.462713 0.03 . 1 . . . A 18 GLY H . 18811 1 16 . 1 1 2 2 GLY HA2 H 1 3.740505 0.03 . 1 . . . A 18 GLY HA2 . 18811 1 17 . 1 1 2 2 GLY HA3 H 1 4.027967 0.03 . 1 . . . A 18 GLY HA3 . 18811 1 18 . 1 1 2 2 GLY CA C 13 47.610751 0.3 . 1 . . . A 18 GLY CA . 18811 1 19 . 1 1 2 2 GLY N N 15 109.816 0.3 . 1 . . . A 18 GLY N . 18811 1 20 . 1 1 3 3 THR H H 1 8.029 0.03 . 1 . . . A 19 THR H . 18811 1 21 . 1 1 3 3 THR HA H 1 4.063899 0.03 . 1 . . . A 19 THR HA . 18811 1 22 . 1 1 3 3 THR HB H 1 4.279496 0.03 . 1 . . . A 19 THR HB . 18811 1 23 . 1 1 3 3 THR HG21 H 1 1.261147 0.03 . 1 . . . A 19 THR HG21 . 18811 1 24 . 1 1 3 3 THR HG22 H 1 1.261147 0.03 . 1 . . . A 19 THR HG22 . 18811 1 25 . 1 1 3 3 THR HG23 H 1 1.261147 0.03 . 1 . . . A 19 THR HG23 . 18811 1 26 . 1 1 3 3 THR CA C 13 65.907527 0.3 . 1 . . . A 19 THR CA . 18811 1 27 . 1 1 3 3 THR CB C 13 68.469633 0.3 . 1 . . . A 19 THR CB . 18811 1 28 . 1 1 3 3 THR CG2 C 13 22.323882 0.3 . 1 . . . A 19 THR CG2 . 18811 1 29 . 1 1 3 3 THR N N 15 116.547 0.3 . 1 . . . A 19 THR N . 18811 1 30 . 1 1 4 4 THR H H 1 7.786 0.03 . 1 . . . A 20 THR H . 18811 1 31 . 1 1 4 4 THR HA H 1 4.045933 0.03 . 1 . . . A 20 THR HA . 18811 1 32 . 1 1 4 4 THR HB H 1 4.153731 0.03 . 1 . . . A 20 THR HB . 18811 1 33 . 1 1 4 4 THR HG21 H 1 1.09945 0.03 . 1 . . . A 20 THR HG21 . 18811 1 34 . 1 1 4 4 THR HG22 H 1 1.09945 0.03 . 1 . . . A 20 THR HG22 . 18811 1 35 . 1 1 4 4 THR HG23 H 1 1.09945 0.03 . 1 . . . A 20 THR HG23 . 18811 1 36 . 1 1 4 4 THR CA C 13 66.353111 0.3 . 1 . . . A 20 THR CA . 18811 1 37 . 1 1 4 4 THR CB C 13 68.386086 0.3 . 1 . . . A 20 THR CB . 18811 1 38 . 1 1 4 4 THR CG2 C 13 22.825163 0.3 . 1 . . . A 20 THR CG2 . 18811 1 39 . 1 1 4 4 THR N N 15 120.442 0.3 . 1 . . . A 20 THR N . 18811 1 40 . 1 1 5 5 VAL H H 1 8.731 0.03 . 1 . . . A 21 VAL H . 18811 1 41 . 1 1 5 5 VAL HA H 1 3.41711 0.03 . 1 . . . A 21 VAL HA . 18811 1 42 . 1 1 5 5 VAL HB H 1 2.129521 0.03 . 1 . . . A 21 VAL HB . 18811 1 43 . 1 1 5 5 VAL HG11 H 1 0.823965 0.03 . 1 . . . A 21 VAL HG11 . 18811 1 44 . 1 1 5 5 VAL HG12 H 1 0.823965 0.03 . 1 . . . A 21 VAL HG12 . 18811 1 45 . 1 1 5 5 VAL HG13 H 1 0.823965 0.03 . 1 . . . A 21 VAL HG13 . 18811 1 46 . 1 1 5 5 VAL HG21 H 1 0.734133 0.03 . 1 . . . A 21 VAL HG21 . 18811 1 47 . 1 1 5 5 VAL HG22 H 1 0.734133 0.03 . 1 . . . A 21 VAL HG22 . 18811 1 48 . 1 1 5 5 VAL HG23 H 1 0.734133 0.03 . 1 . . . A 21 VAL HG23 . 18811 1 49 . 1 1 5 5 VAL CA C 13 67.272127 0.3 . 1 . . . A 21 VAL CA . 18811 1 50 . 1 1 5 5 VAL CB C 13 31.458345 0.3 . 1 . . . A 21 VAL CB . 18811 1 51 . 1 1 5 5 VAL CG1 C 13 23.966971 0.3 . 1 . . . A 21 VAL CG1 . 18811 1 52 . 1 1 5 5 VAL CG2 C 13 22.184637 0.3 . 1 . . . A 21 VAL CG2 . 18811 1 53 . 1 1 5 5 VAL N N 15 123.898 0.3 . 1 . . . A 21 VAL N . 18811 1 54 . 1 1 6 6 ALA H H 1 8.386 0.03 . 1 . . . A 22 ALA H . 18811 1 55 . 1 1 6 6 ALA HA H 1 4.045933 0.03 . 1 . . . A 22 ALA HA . 18811 1 56 . 1 1 6 6 ALA HB1 H 1 1.470754 0.03 . 1 . . . A 22 ALA HB1 . 18811 1 57 . 1 1 6 6 ALA HB2 H 1 1.470754 0.03 . 1 . . . A 22 ALA HB2 . 18811 1 58 . 1 1 6 6 ALA HB3 H 1 1.470754 0.03 . 1 . . . A 22 ALA HB3 . 18811 1 59 . 1 1 6 6 ALA CA C 13 55.965443 0.3 . 1 . . . A 22 ALA CA . 18811 1 60 . 1 1 6 6 ALA CB C 13 18.174384 0.3 . 1 . . . A 22 ALA CB . 18811 1 61 . 1 1 6 6 ALA N N 15 125.683 0.3 . 1 . . . A 22 ALA N . 18811 1 62 . 1 1 7 7 SER H H 1 8.043886 0.03 . 1 . . . A 23 SER H . 18811 1 63 . 1 1 7 7 SER HA H 1 4.189664 0.03 . 1 . . . A 23 SER HA . 18811 1 64 . 1 1 7 7 SER HB2 H 1 3.980056 0.03 . 1 . . . A 23 SER HB2 . 18811 1 65 . 1 1 7 7 SER HB3 H 1 3.980056 0.03 . 1 . . . A 23 SER HB3 . 18811 1 66 . 1 1 7 7 SER CA C 13 61.522 0.3 . 1 . . . A 23 SER CA . 18811 1 67 . 1 1 7 7 SER CB C 13 62.983385 0.3 . 1 . . . A 23 SER CB . 18811 1 68 . 1 1 7 7 SER N N 15 112.71304 0.3 . 1 . . . A 23 SER N . 18811 1 69 . 1 1 8 8 THR H H 1 8.269 0.03 . 1 . . . A 24 THR H . 18811 1 70 . 1 1 8 8 THR HA H 1 4.471137 0.03 . 1 . . . A 24 THR HA . 18811 1 71 . 1 1 8 8 THR HB H 1 3.806381 0.03 . 1 . . . A 24 THR HB . 18811 1 72 . 1 1 8 8 THR HG21 H 1 1.321035 0.03 . 1 . . . A 24 THR HG21 . 18811 1 73 . 1 1 8 8 THR HG22 H 1 1.321035 0.03 . 1 . . . A 24 THR HG22 . 18811 1 74 . 1 1 8 8 THR HG23 H 1 1.321035 0.03 . 1 . . . A 24 THR HG23 . 18811 1 75 . 1 1 8 8 THR CA C 13 64.542927 0.3 . 1 . . . A 24 THR CA . 18811 1 76 . 1 1 8 8 THR CB C 13 69.332951 0.3 . 1 . . . A 24 THR CB . 18811 1 77 . 1 1 8 8 THR CG2 C 13 23.688481 0.3 . 1 . . . A 24 THR CG2 . 18811 1 78 . 1 1 8 8 THR N N 15 112.668 0.3 . 1 . . . A 24 THR N . 18811 1 79 . 1 1 9 9 THR H H 1 8.317 0.03 . 1 . . . A 25 THR H . 18811 1 80 . 1 1 9 9 THR HA H 1 3.950112 0.03 . 1 . . . A 25 THR HA . 18811 1 81 . 1 1 9 9 THR HB H 1 4.117798 0.03 . 1 . . . A 25 THR HB . 18811 1 82 . 1 1 9 9 THR HG21 H 1 1.267136 0.03 . 1 . . . A 25 THR HG21 . 18811 1 83 . 1 1 9 9 THR HG22 H 1 1.267136 0.03 . 1 . . . A 25 THR HG22 . 18811 1 84 . 1 1 9 9 THR HG23 H 1 1.267136 0.03 . 1 . . . A 25 THR HG23 . 18811 1 85 . 1 1 9 9 THR CA C 13 66.575902 0.3 . 1 . . . A 25 THR CA . 18811 1 86 . 1 1 9 9 THR CB C 13 68.413935 0.3 . 1 . . . A 25 THR CB . 18811 1 87 . 1 1 9 9 THR CG2 C 13 23.215049 0.3 . 1 . . . A 25 THR CG2 . 18811 1 88 . 1 1 9 9 THR N N 15 114.255 0.3 . 1 . . . A 25 THR N . 18811 1 89 . 1 1 10 10 SER H H 1 7.622 0.03 . 1 . . . A 26 SER H . 18811 1 90 . 1 1 10 10 SER HA H 1 4.321417 0.03 . 1 . . . A 26 SER HA . 18811 1 91 . 1 1 10 10 SER HB2 H 1 3.992034 0.03 . 1 . . . A 26 SER HB2 . 18811 1 92 . 1 1 10 10 SER HB3 H 1 3.992034 0.03 . 1 . . . A 26 SER HB3 . 18811 1 93 . 1 1 10 10 SER CA C 13 61.925124 0.3 . 1 . . . A 26 SER CA . 18811 1 94 . 1 1 10 10 SER CB C 13 62.816291 0.3 . 1 . . . A 26 SER CB . 18811 1 95 . 1 1 10 10 SER N N 15 118.135 0.3 . 1 . . . A 26 SER N . 18811 1 96 . 1 1 11 11 ARG H H 1 7.822 0.03 . 1 . . . A 27 ARG H . 18811 1 97 . 1 1 11 11 ARG HA H 1 4.081866 0.03 . 1 . . . A 27 ARG HA . 18811 1 98 . 1 1 11 11 ARG HB2 H 1 2.081611 0.03 . 1 . . . A 27 ARG HB2 . 18811 1 99 . 1 1 11 11 ARG HB3 H 1 1.877992 0.03 . 1 . . . A 27 ARG HB3 . 18811 1 100 . 1 1 11 11 ARG HG3 H 1 1.368945 0.03 . 1 . . . A 27 ARG HG3 . 18811 1 101 . 1 1 11 11 ARG HD2 H 1 3.261402 0.03 . 1 . . . A 27 ARG HD2 . 18811 1 102 . 1 1 11 11 ARG HD3 H 1 2.782299 0.03 . 1 . . . A 27 ARG HD3 . 18811 1 103 . 1 1 11 11 ARG CA C 13 59.474414 0.3 . 1 . . . A 27 ARG CA . 18811 1 104 . 1 1 11 11 ARG CB C 13 29.007636 0.3 . 1 . . . A 27 ARG CB . 18811 1 105 . 1 1 11 11 ARG CG C 13 29.508917 0.3 . 1 . . . A 27 ARG CG . 18811 1 106 . 1 1 11 11 ARG CD C 13 42.542237 0.3 . 1 . . . A 27 ARG CD . 18811 1 107 . 1 1 11 11 ARG N N 15 123.397 0.3 . 1 . . . A 27 ARG N . 18811 1 108 . 1 1 12 12 LEU H H 1 8.098 0.03 . 1 . . . A 28 LEU H . 18811 1 109 . 1 1 12 12 LEU HA H 1 3.818359 0.03 . 1 . . . A 28 LEU HA . 18811 1 110 . 1 1 12 12 LEU HB2 H 1 1.74025 0.03 . 1 . . . A 28 LEU HB2 . 18811 1 111 . 1 1 12 12 LEU HB3 H 1 1.74025 0.03 . 1 . . . A 28 LEU HB3 . 18811 1 112 . 1 1 12 12 LEU HG H 1 1.794149 0.03 . 1 . . . A 28 LEU HG . 18811 1 113 . 1 1 12 12 LEU HD11 H 1 0.817977 0.03 . 1 . . . A 28 LEU HD11 . 18811 1 114 . 1 1 12 12 LEU HD12 H 1 0.817977 0.03 . 1 . . . A 28 LEU HD12 . 18811 1 115 . 1 1 12 12 LEU HD13 H 1 0.817977 0.03 . 1 . . . A 28 LEU HD13 . 18811 1 116 . 1 1 12 12 LEU CA C 13 56.57812 0.3 . 1 . . . A 28 LEU CA . 18811 1 117 . 1 1 12 12 LEU CB C 13 43.377707 0.3 . 1 . . . A 28 LEU CB . 18811 1 118 . 1 1 12 12 LEU CG C 13 26.668322 0.3 . 1 . . . A 28 LEU CG . 18811 1 119 . 1 1 12 12 LEU CD1 C 13 25.053081 0.3 . 1 . . . A 28 LEU CD1 . 18811 1 120 . 1 1 12 12 LEU N N 15 119.406 0.3 . 1 . . . A 28 LEU N . 18811 1 121 . 1 1 13 13 SER H H 1 7.121 0.03 . 1 . . . A 29 SER H . 18811 1 122 . 1 1 13 13 SER HA H 1 4.50707 0.03 . 1 . . . A 29 SER HA . 18811 1 123 . 1 1 13 13 SER HB2 H 1 3.992034 0.03 . 1 . . . A 29 SER HB2 . 18811 1 124 . 1 1 13 13 SER HB3 H 1 3.992034 0.03 . 1 . . . A 29 SER HB3 . 18811 1 125 . 1 1 13 13 SER CA C 13 58.611096 0.3 . 1 . . . A 29 SER CA . 18811 1 126 . 1 1 13 13 SER CB C 13 64.320135 0.3 . 1 . . . A 29 SER CB . 18811 1 127 . 1 1 13 13 SER N N 15 109.586 0.3 . 1 . . . A 29 SER N . 18811 1 128 . 1 1 14 14 THR H H 1 7.399 0.03 . 1 . . . A 30 THR H . 18811 1 129 . 1 1 14 14 THR HA H 1 4.465148 0.03 . 1 . . . A 30 THR HA . 18811 1 130 . 1 1 14 14 THR HB H 1 4.770576 0.03 . 1 . . . A 30 THR HB . 18811 1 131 . 1 1 14 14 THR HG21 H 1 1.452788 0.03 . 1 . . . A 30 THR HG21 . 18811 1 132 . 1 1 14 14 THR HG22 H 1 1.452788 0.03 . 1 . . . A 30 THR HG22 . 18811 1 133 . 1 1 14 14 THR HG23 H 1 1.452788 0.03 . 1 . . . A 30 THR HG23 . 18811 1 134 . 1 1 14 14 THR CA C 13 61.312446 0.3 . 1 . . . A 30 THR CA . 18811 1 135 . 1 1 14 14 THR CB C 13 73.14826 0.3 . 1 . . . A 30 THR CB . 18811 1 136 . 1 1 14 14 THR CG2 C 13 22.42586 0.3 . 1 . . . A 30 THR CG2 . 18811 1 137 . 1 1 14 14 THR N N 15 111.114 0.3 . 1 . . . A 30 THR N . 18811 1 138 . 1 1 15 15 ALA H H 1 9.066076 0.03 . 1 . . . A 31 ALA H . 18811 1 139 . 1 1 15 15 ALA HA H 1 4.117798 0.03 . 1 . . . A 31 ALA HA . 18811 1 140 . 1 1 15 15 ALA HB1 H 1 1.416855 0.03 . 1 . . . A 31 ALA HB1 . 18811 1 141 . 1 1 15 15 ALA HB2 H 1 1.416855 0.03 . 1 . . . A 31 ALA HB2 . 18811 1 142 . 1 1 15 15 ALA HB3 H 1 1.416855 0.03 . 1 . . . A 31 ALA HB3 . 18811 1 143 . 1 1 15 15 ALA CA C 13 55.129974 0.3 . 1 . . . A 31 ALA CA . 18811 1 144 . 1 1 15 15 ALA CB C 13 18.230082 0.3 . 1 . . . A 31 ALA CB . 18811 1 145 . 1 1 15 15 ALA N N 15 125.939902 0.3 . 1 . . . A 31 ALA N . 18811 1 146 . 1 1 16 16 GLU H H 1 9.041 0.03 . 1 . . . A 32 GLU H . 18811 1 147 . 1 1 16 16 GLU HA H 1 3.986045 0.03 . 1 . . . A 32 GLU HA . 18811 1 148 . 1 1 16 16 GLU HB2 H 1 2.081611 0.03 . 1 . . . A 32 GLU HB2 . 18811 1 149 . 1 1 16 16 GLU HB3 H 1 1.883981 0.03 . 1 . . . A 32 GLU HB3 . 18811 1 150 . 1 1 16 16 GLU HG2 H 1 2.476871 0.03 . 1 . . . A 32 GLU HG2 . 18811 1 151 . 1 1 16 16 GLU HG3 H 1 2.261274 0.03 . 1 . . . A 32 GLU HG3 . 18811 1 152 . 1 1 16 16 GLU CA C 13 60.659 0.3 . 1 . . . A 32 GLU CA . 18811 1 153 . 1 1 16 16 GLU CB C 13 28.673448 0.3 . 1 . . . A 32 GLU CB . 18811 1 154 . 1 1 16 16 GLU CG C 13 37.390177 0.3 . 1 . . . A 32 GLU CG . 18811 1 155 . 1 1 16 16 GLU N N 15 118.148 0.3 . 1 . . . A 32 GLU N . 18811 1 156 . 1 1 17 17 ALA H H 1 7.392898 0.03 . 1 . . . A 33 ALA H . 18811 1 157 . 1 1 17 17 ALA HA H 1 3.992 0.03 . 1 . . . A 33 ALA HA . 18811 1 158 . 1 1 17 17 ALA HB1 H 1 1.38425 0.03 . 1 . . . A 33 ALA HB1 . 18811 1 159 . 1 1 17 17 ALA HB2 H 1 1.38425 0.03 . 1 . . . A 33 ALA HB2 . 18811 1 160 . 1 1 17 17 ALA HB3 H 1 1.38425 0.03 . 1 . . . A 33 ALA HB3 . 18811 1 161 . 1 1 17 17 ALA CA C 13 55.547708 0.3 . 1 . . . A 33 ALA CA . 18811 1 162 . 1 1 17 17 ALA CB C 13 19.538984 0.3 . 1 . . . A 33 ALA CB . 18811 1 163 . 1 1 17 17 ALA N N 15 122.626225 0.3 . 1 . . . A 33 ALA N . 18811 1 164 . 1 1 18 18 SER H H 1 7.924 0.03 . 1 . . . A 34 SER H . 18811 1 165 . 1 1 18 18 SER HA H 1 3.986 0.03 . 1 . . . A 34 SER HA . 18811 1 166 . 1 1 18 18 SER CA C 13 63.23 0.3 . 1 . . . A 34 SER CA . 18811 1 167 . 1 1 18 18 SER N N 15 113.076 0.3 . 1 . . . A 34 SER N . 18811 1 168 . 1 1 19 19 SER H H 1 7.862 0.03 . 1 . . . A 35 SER H . 18811 1 169 . 1 1 19 19 SER HA H 1 4.196 0.03 . 1 . . . A 35 SER HA . 18811 1 170 . 1 1 19 19 SER HB2 H 1 3.96209 0.03 . 1 . . . A 35 SER HB2 . 18811 1 171 . 1 1 19 19 SER HB3 H 1 3.96209 0.03 . 1 . . . A 35 SER HB3 . 18811 1 172 . 1 1 19 19 SER CA C 13 62.008671 0.3 . 1 . . . A 35 SER CA . 18811 1 173 . 1 1 19 19 SER CB C 13 62.927687 0.3 . 1 . . . A 35 SER CB . 18811 1 174 . 1 1 19 19 SER N N 15 116.04 0.3 . 1 . . . A 35 SER N . 18811 1 175 . 1 1 20 20 ARG H H 1 7.672 0.03 . 1 . . . A 36 ARG H . 18811 1 176 . 1 1 20 20 ARG HA H 1 3.974 0.03 . 1 . . . A 36 ARG HA . 18811 1 177 . 1 1 20 20 ARG HB2 H 1 2.261274 0.03 . 1 . . . A 36 ARG HB2 . 18811 1 178 . 1 1 20 20 ARG HB3 H 1 1.614485 0.03 . 1 . . . A 36 ARG HB3 . 18811 1 179 . 1 1 20 20 ARG HG2 H 1 1.83607 0.03 . 1 . . . A 36 ARG HG2 . 18811 1 180 . 1 1 20 20 ARG HG3 H 1 1.315046 0.03 . 1 . . . A 36 ARG HG3 . 18811 1 181 . 1 1 20 20 ARG HD2 H 1 3.125108 0.03 . 1 . . . A 36 ARG HD2 . 18811 1 182 . 1 1 20 20 ARG HD3 H 1 2.830209 0.03 . 1 . . . A 36 ARG HD3 . 18811 1 183 . 1 1 20 20 ARG HE H 1 11.666801 0.03 . 1 . . . A 36 ARG HE . 18811 1 184 . 1 1 20 20 ARG CA C 13 60.922561 0.3 . 1 . . . A 36 ARG CA . 18811 1 185 . 1 1 20 20 ARG CB C 13 31.152007 0.3 . 1 . . . A 36 ARG CB . 18811 1 186 . 1 1 20 20 ARG CG C 13 29.810111 0.3 . 1 . . . A 36 ARG CG . 18811 1 187 . 1 1 20 20 ARG CD C 13 44.036435 0.3 . 1 . . . A 36 ARG CD . 18811 1 188 . 1 1 20 20 ARG N N 15 122.686 0.3 . 1 . . . A 36 ARG N . 18811 1 189 . 1 1 20 20 ARG NE N 15 89.01127 0.3 . 1 . . . A 36 ARG NE . 18811 1 190 . 1 1 21 21 ILE H H 1 8.765 0.03 . 1 . . . A 37 ILE H . 18811 1 191 . 1 1 21 21 ILE HA H 1 3.507 0.03 . 1 . . . A 37 ILE HA . 18811 1 192 . 1 1 21 21 ILE HB H 1 1.734261 0.03 . 1 . . . A 37 ILE HB . 18811 1 193 . 1 1 21 21 ILE HG12 H 1 1.93788 0.03 . 1 . . . A 37 ILE HG12 . 18811 1 194 . 1 1 21 21 ILE HG13 H 1 1.165326 0.03 . 1 . . . A 37 ILE HG13 . 18811 1 195 . 1 1 21 21 ILE HG21 H 1 0.7521 0.03 . 1 . . . A 37 ILE HG21 . 18811 1 196 . 1 1 21 21 ILE HG22 H 1 0.7521 0.03 . 1 . . . A 37 ILE HG22 . 18811 1 197 . 1 1 21 21 ILE HG23 H 1 0.7521 0.03 . 1 . . . A 37 ILE HG23 . 18811 1 198 . 1 1 21 21 ILE HD11 H 1 0.80001 0.03 . 1 . . . A 37 ILE HD11 . 18811 1 199 . 1 1 21 21 ILE HD12 H 1 0.80001 0.03 . 1 . . . A 37 ILE HD12 . 18811 1 200 . 1 1 21 21 ILE HD13 H 1 0.80001 0.03 . 1 . . . A 37 ILE HD13 . 18811 1 201 . 1 1 21 21 ILE CA C 13 65.350547 0.3 . 1 . . . A 37 ILE CA . 18811 1 202 . 1 1 21 21 ILE CB C 13 39.005418 0.3 . 1 . . . A 37 ILE CB . 18811 1 203 . 1 1 21 21 ILE CG1 C 13 29.063334 0.3 . 1 . . . A 37 ILE CG1 . 18811 1 204 . 1 1 21 21 ILE CG2 C 13 16.809785 0.3 . 1 . . . A 37 ILE CG2 . 18811 1 205 . 1 1 21 21 ILE CD1 C 13 15.083148 0.3 . 1 . . . A 37 ILE CD1 . 18811 1 206 . 1 1 21 21 ILE N N 15 120.723 0.3 . 1 . . . A 37 ILE N . 18811 1 207 . 1 1 22 22 SER H H 1 8.497 0.03 . 1 . . . A 38 SER H . 18811 1 208 . 1 1 22 22 SER HA H 1 4.046 0.03 . 1 . . . A 38 SER HA . 18811 1 209 . 1 1 22 22 SER CA C 13 62.824 0.3 . 1 . . . A 38 SER CA . 18811 1 210 . 1 1 22 22 SER N N 15 115.092 0.3 . 1 . . . A 38 SER N . 18811 1 211 . 1 1 23 23 THR H H 1 7.993689 0.03 . 1 . . . A 39 THR H . 18811 1 212 . 1 1 23 23 THR HA H 1 3.83 0.03 . 1 . . . A 39 THR HA . 18811 1 213 . 1 1 23 23 THR HB H 1 4.249552 0.03 . 1 . . . A 39 THR HB . 18811 1 214 . 1 1 23 23 THR HG21 H 1 1.153349 0.03 . 1 . . . A 39 THR HG21 . 18811 1 215 . 1 1 23 23 THR HG22 H 1 1.153349 0.03 . 1 . . . A 39 THR HG22 . 18811 1 216 . 1 1 23 23 THR HG23 H 1 1.153349 0.03 . 1 . . . A 39 THR HG23 . 18811 1 217 . 1 1 23 23 THR CA C 13 66.826543 0.3 . 1 . . . A 39 THR CA . 18811 1 218 . 1 1 23 23 THR CB C 13 68.608878 0.3 . 1 . . . A 39 THR CB . 18811 1 219 . 1 1 23 23 THR CG2 C 13 22.045392 0.3 . 1 . . . A 39 THR CG2 . 18811 1 220 . 1 1 23 23 THR N N 15 117.669633 0.3 . 1 . . . A 39 THR N . 18811 1 221 . 1 1 24 24 ALA H H 1 8.582 0.03 . 1 . . . A 40 ALA H . 18811 1 222 . 1 1 24 24 ALA HA H 1 3.974067 0.03 . 1 . . . A 40 ALA HA . 18811 1 223 . 1 1 24 24 ALA HB1 H 1 1.416855 0.03 . 1 . . . A 40 ALA HB1 . 18811 1 224 . 1 1 24 24 ALA HB2 H 1 1.416855 0.03 . 1 . . . A 40 ALA HB2 . 18811 1 225 . 1 1 24 24 ALA HB3 H 1 1.416855 0.03 . 1 . . . A 40 ALA HB3 . 18811 1 226 . 1 1 24 24 ALA CA C 13 55.965443 0.3 . 1 . . . A 40 ALA CA . 18811 1 227 . 1 1 24 24 ALA CB C 13 18.174384 0.3 . 1 . . . A 40 ALA CB . 18811 1 228 . 1 1 24 24 ALA N N 15 126.493 0.3 . 1 . . . A 40 ALA N . 18811 1 229 . 1 1 25 25 ALA H H 1 8.569 0.03 . 1 . . . A 41 ALA H . 18811 1 230 . 1 1 25 25 ALA HA H 1 3.992034 0.03 . 1 . . . A 41 ALA HA . 18811 1 231 . 1 1 25 25 ALA HB1 H 1 1.644429 0.03 . 1 . . . A 41 ALA HB1 . 18811 1 232 . 1 1 25 25 ALA HB2 H 1 1.644429 0.03 . 1 . . . A 41 ALA HB2 . 18811 1 233 . 1 1 25 25 ALA HB3 H 1 1.644429 0.03 . 1 . . . A 41 ALA HB3 . 18811 1 234 . 1 1 25 25 ALA CA C 13 55.659104 0.3 . 1 . . . A 41 ALA CA . 18811 1 235 . 1 1 25 25 ALA CB C 13 18.090838 0.3 . 1 . . . A 41 ALA CB . 18811 1 236 . 1 1 25 25 ALA N N 15 117.43 0.3 . 1 . . . A 41 ALA N . 18811 1 237 . 1 1 26 26 SER H H 1 7.819 0.03 . 1 . . . A 42 SER H . 18811 1 238 . 1 1 26 26 SER HA H 1 3.530897 0.03 . 1 . . . A 42 SER HA . 18811 1 239 . 1 1 26 26 SER HB2 H 1 3.339256 0.03 . 1 . . . A 42 SER HB2 . 18811 1 240 . 1 1 26 26 SER HB3 H 1 3.153604 0.03 . 1 . . . A 42 SER HB3 . 18811 1 241 . 1 1 26 26 SER CA C 13 61.061805 0.3 . 1 . . . A 42 SER CA . 18811 1 242 . 1 1 26 26 SER CB C 13 62.509952 0.3 . 1 . . . A 42 SER CB . 18811 1 243 . 1 1 26 26 SER N N 15 109.526 0.3 . 1 . . . A 42 SER N . 18811 1 244 . 1 1 27 27 THR H H 1 7.928 0.03 . 1 . . . A 43 THR H . 18811 1 245 . 1 1 27 27 THR HA H 1 3.920168 0.03 . 1 . . . A 43 THR HA . 18811 1 246 . 1 1 27 27 THR HB H 1 4.15972 0.03 . 1 . . . A 43 THR HB . 18811 1 247 . 1 1 27 27 THR HG21 H 1 1.117416 0.03 . 1 . . . A 43 THR HG21 . 18811 1 248 . 1 1 27 27 THR HG22 H 1 1.117416 0.03 . 1 . . . A 43 THR HG22 . 18811 1 249 . 1 1 27 27 THR HG23 H 1 1.117416 0.03 . 1 . . . A 43 THR HG23 . 18811 1 250 . 1 1 27 27 THR CA C 13 66.38096 0.3 . 1 . . . A 43 THR CA . 18811 1 251 . 1 1 27 27 THR CB C 13 68.692424 0.3 . 1 . . . A 43 THR CB . 18811 1 252 . 1 1 27 27 THR CG2 C 13 22.10109 0.3 . 1 . . . A 43 THR CG2 . 18811 1 253 . 1 1 27 27 THR N N 15 117.562 0.3 . 1 . . . A 43 THR N . 18811 1 254 . 1 1 28 28 LEU H H 1 7.859 0.03 . 1 . . . A 44 LEU H . 18811 1 255 . 1 1 28 28 LEU HA H 1 4.01 0.03 . 1 . . . A 44 LEU HA . 18811 1 256 . 1 1 28 28 LEU HB2 H 1 1.93788 0.03 . 1 . . . A 44 LEU HB2 . 18811 1 257 . 1 1 28 28 LEU HB3 H 1 1.285102 0.03 . 1 . . . A 44 LEU HB3 . 18811 1 258 . 1 1 28 28 LEU HG H 1 1.919913 0.03 . 1 . . . A 44 LEU HG . 18811 1 259 . 1 1 28 28 LEU HD11 H 1 0.656279 0.03 . 1 . . . A 44 LEU HD11 . 18811 1 260 . 1 1 28 28 LEU HD12 H 1 0.656279 0.03 . 1 . . . A 44 LEU HD12 . 18811 1 261 . 1 1 28 28 LEU HD13 H 1 0.656279 0.03 . 1 . . . A 44 LEU HD13 . 18811 1 262 . 1 1 28 28 LEU HD21 H 1 0.680469 0.03 . 1 . . . A 44 LEU HD21 . 18811 1 263 . 1 1 28 28 LEU HD22 H 1 0.680469 0.03 . 1 . . . A 44 LEU HD22 . 18811 1 264 . 1 1 28 28 LEU HD23 H 1 0.680469 0.03 . 1 . . . A 44 LEU HD23 . 18811 1 265 . 1 1 28 28 LEU CA C 13 57.775626 0.3 . 1 . . . A 44 LEU CA . 18811 1 266 . 1 1 28 28 LEU CB C 13 42.848576 0.3 . 1 . . . A 44 LEU CB . 18811 1 267 . 1 1 28 28 LEU CG C 13 26.835416 0.3 . 1 . . . A 44 LEU CG . 18811 1 268 . 1 1 28 28 LEU CD1 C 13 25.136628 0.3 . 1 . . . A 44 LEU CD1 . 18811 1 269 . 1 1 28 28 LEU CD2 C 13 22.843001 0.3 . 1 . . . A 44 LEU CD2 . 18811 1 270 . 1 1 28 28 LEU N N 15 119.551 0.3 . 1 . . . A 44 LEU N . 18811 1 271 . 1 1 29 29 VAL H H 1 7.091 0.03 . 1 . . . A 45 VAL H . 18811 1 272 . 1 1 29 29 VAL HA H 1 5.052049 0.03 . 1 . . . A 45 VAL HA . 18811 1 273 . 1 1 29 29 VAL HB H 1 2.285229 0.03 . 1 . . . A 45 VAL HB . 18811 1 274 . 1 1 29 29 VAL HG11 H 1 0.817977 0.03 . 1 . . . A 45 VAL HG11 . 18811 1 275 . 1 1 29 29 VAL HG12 H 1 0.817977 0.03 . 1 . . . A 45 VAL HG12 . 18811 1 276 . 1 1 29 29 VAL HG13 H 1 0.817977 0.03 . 1 . . . A 45 VAL HG13 . 18811 1 277 . 1 1 29 29 VAL HG21 H 1 1.039562 0.03 . 1 . . . A 45 VAL HG21 . 18811 1 278 . 1 1 29 29 VAL HG22 H 1 1.039562 0.03 . 1 . . . A 45 VAL HG22 . 18811 1 279 . 1 1 29 29 VAL HG23 H 1 1.039562 0.03 . 1 . . . A 45 VAL HG23 . 18811 1 280 . 1 1 29 29 VAL CA C 13 60.003544 0.3 . 1 . . . A 45 VAL CA . 18811 1 281 . 1 1 29 29 VAL CB C 13 32.238117 0.3 . 1 . . . A 45 VAL CB . 18811 1 282 . 1 1 29 29 VAL CG1 C 13 22.073241 0.3 . 1 . . . A 45 VAL CG1 . 18811 1 283 . 1 1 29 29 VAL CG2 C 13 19.761776 0.3 . 1 . . . A 45 VAL CG2 . 18811 1 284 . 1 1 29 29 VAL N N 15 108.675366 0.3 . 1 . . . A 45 VAL N . 18811 1 285 . 1 1 30 30 SER H H 1 7.683 0.03 . 1 . . . A 46 SER H . 18811 1 286 . 1 1 30 30 SER HA H 1 4.399271 0.03 . 1 . . . A 46 SER HA . 18811 1 287 . 1 1 30 30 SER HB2 H 1 3.938135 0.03 . 1 . . . A 46 SER HB2 . 18811 1 288 . 1 1 30 30 SER HB3 H 1 3.938135 0.03 . 1 . . . A 46 SER HB3 . 18811 1 289 . 1 1 30 30 SER CA C 13 60.087091 0.3 . 1 . . . A 46 SER CA . 18811 1 290 . 1 1 30 30 SER CB C 13 63.568213 0.3 . 1 . . . A 46 SER CB . 18811 1 291 . 1 1 30 30 SER N N 15 119.6467 0.3 . 1 . . . A 46 SER N . 18811 1 292 . 1 1 31 31 GLY H H 1 9.021 0.03 . 1 . . . A 47 GLY H . 18811 1 293 . 1 1 31 31 GLY HA2 H 1 3.884236 0.03 . 1 . . . A 47 GLY HA2 . 18811 1 294 . 1 1 31 31 GLY HA3 H 1 4.087854 0.03 . 1 . . . A 47 GLY HA3 . 18811 1 295 . 1 1 31 31 GLY CA C 13 45.967661 0.3 . 1 . . . A 47 GLY CA . 18811 1 296 . 1 1 31 31 GLY N N 15 113.261 0.3 . 1 . . . A 47 GLY N . 18811 1 297 . 1 1 32 32 GLY H H 1 8.377 0.03 . 1 . . . A 48 GLY H . 18811 1 298 . 1 1 32 32 GLY HA2 H 1 3.734516 0.03 . 1 . . . A 48 GLY HA2 . 18811 1 299 . 1 1 32 32 GLY HA3 H 1 4.243563 0.03 . 1 . . . A 48 GLY HA3 . 18811 1 300 . 1 1 32 32 GLY CA C 13 45.18789 0.3 . 1 . . . A 48 GLY CA . 18811 1 301 . 1 1 32 32 GLY N N 15 106.767 0.3 . 1 . . . A 48 GLY N . 18811 1 302 . 1 1 33 33 TYR H H 1 7.172 0.03 . 1 . . . A 49 TYR H . 18811 1 303 . 1 1 33 33 TYR HA H 1 4.782554 0.03 . 1 . . . A 49 TYR HA . 18811 1 304 . 1 1 33 33 TYR HB2 H 1 3.153604 0.03 . 1 . . . A 49 TYR HB2 . 18811 1 305 . 1 1 33 33 TYR HB3 H 1 2.884108 0.03 . 1 . . . A 49 TYR HB3 . 18811 1 306 . 1 1 33 33 TYR HD1 H 1 7.046315 0.03 . 1 . . . A 49 TYR HD1 . 18811 1 307 . 1 1 33 33 TYR HE1 H 1 6.812753 0.03 . 1 . . . A 49 TYR HE1 . 18811 1 308 . 1 1 33 33 TYR CA C 13 55.49201 0.3 . 1 . . . A 49 TYR CA . 18811 1 309 . 1 1 33 33 TYR CB C 13 40.982695 0.3 . 1 . . . A 49 TYR CB . 18811 1 310 . 1 1 33 33 TYR CD1 C 13 134.248911 0.3 . 1 . . . A 49 TYR CD1 . 18811 1 311 . 1 1 33 33 TYR CE1 C 13 117.901563 0.3 . 1 . . . A 49 TYR CE1 . 18811 1 312 . 1 1 33 33 TYR N N 15 115.928 0.3 . 1 . . . A 49 TYR N . 18811 1 313 . 1 1 34 34 LEU H H 1 8.778011 0.03 . 1 . . . A 50 LEU H . 18811 1 314 . 1 1 34 34 LEU HA H 1 4.411249 0.03 . 1 . . . A 50 LEU HA . 18811 1 315 . 1 1 34 34 LEU HB2 H 1 1.895958 0.03 . 1 . . . A 50 LEU HB2 . 18811 1 316 . 1 1 34 34 LEU HB3 H 1 1.138044 0.03 . 1 . . . A 50 LEU HB3 . 18811 1 317 . 1 1 34 34 LEU HG H 1 0.883853 0.03 . 1 . . . A 50 LEU HG . 18811 1 318 . 1 1 34 34 LEU HD11 H 1 0.788033 0.03 . 1 . . . A 50 LEU HD11 . 18811 1 319 . 1 1 34 34 LEU HD12 H 1 0.788033 0.03 . 1 . . . A 50 LEU HD12 . 18811 1 320 . 1 1 34 34 LEU HD13 H 1 0.788033 0.03 . 1 . . . A 50 LEU HD13 . 18811 1 321 . 1 1 34 34 LEU HD21 H 1 0.793765 0.03 . 1 . . . A 50 LEU HD21 . 18811 1 322 . 1 1 34 34 LEU HD22 H 1 0.793765 0.03 . 1 . . . A 50 LEU HD22 . 18811 1 323 . 1 1 34 34 LEU HD23 H 1 0.793765 0.03 . 1 . . . A 50 LEU HD23 . 18811 1 324 . 1 1 34 34 LEU CA C 13 55.408464 0.3 . 1 . . . A 50 LEU CA . 18811 1 325 . 1 1 34 34 LEU CB C 13 41.92683 0.3 . 1 . . . A 50 LEU CB . 18811 1 326 . 1 1 34 34 LEU CG C 13 27.225301 0.3 . 1 . . . A 50 LEU CG . 18811 1 327 . 1 1 34 34 LEU CD1 C 13 23.688481 0.3 . 1 . . . A 50 LEU CD1 . 18811 1 328 . 1 1 34 34 LEU CD2 C 13 23.647601 0.3 . 1 . . . A 50 LEU CD2 . 18811 1 329 . 1 1 34 34 LEU N N 15 121.178232 0.3 . 1 . . . A 50 LEU N . 18811 1 330 . 1 1 35 35 ASN H H 1 8.889 0.03 . 1 . . . A 51 ASN H . 18811 1 331 . 1 1 35 35 ASN HA H 1 5.111937 0.03 . 1 . . . A 51 ASN HA . 18811 1 332 . 1 1 35 35 ASN HB2 H 1 3.093716 0.03 . 1 . . . A 51 ASN HB2 . 18811 1 333 . 1 1 35 35 ASN HB3 H 1 2.548736 0.03 . 1 . . . A 51 ASN HB3 . 18811 1 334 . 1 1 35 35 ASN HD21 H 1 7.522761 0.03 . 1 . . . A 51 ASN HD21 . 18811 1 335 . 1 1 35 35 ASN HD22 H 1 7.036482 0.03 . 1 . . . A 51 ASN HD22 . 18811 1 336 . 1 1 35 35 ASN CA C 13 50.729836 0.3 . 1 . . . A 51 ASN CA . 18811 1 337 . 1 1 35 35 ASN CB C 13 37.891459 0.3 . 1 . . . A 51 ASN CB . 18811 1 338 . 1 1 35 35 ASN N N 15 127.387896 0.3 . 1 . . . A 51 ASN N . 18811 1 339 . 1 1 35 35 ASN ND2 N 15 110.397499 0.3 . 1 . . . A 51 ASN ND2 . 18811 1 340 . 1 1 36 36 THR H H 1 8.487 0.03 . 1 . . . A 52 THR H . 18811 1 341 . 1 1 36 36 THR HA H 1 3.596462 0.03 . 1 . . . A 52 THR HA . 18811 1 342 . 1 1 36 36 THR HB H 1 4.177686 0.03 . 1 . . . A 52 THR HB . 18811 1 343 . 1 1 36 36 THR HG21 H 1 1.189281 0.03 . 1 . . . A 52 THR HG21 . 18811 1 344 . 1 1 36 36 THR HG22 H 1 1.189281 0.03 . 1 . . . A 52 THR HG22 . 18811 1 345 . 1 1 36 36 THR HG23 H 1 1.189281 0.03 . 1 . . . A 52 THR HG23 . 18811 1 346 . 1 1 36 36 THR CA C 13 66.088385 0.3 . 1 . . . A 52 THR CA . 18811 1 347 . 1 1 36 36 THR CB C 13 67.968351 0.3 . 1 . . . A 52 THR CB . 18811 1 348 . 1 1 36 36 THR CG2 C 13 23.1872 0.3 . 1 . . . A 52 THR CG2 . 18811 1 349 . 1 1 36 36 THR N N 15 116.91 0.3 . 1 . . . A 52 THR N . 18811 1 350 . 1 1 37 37 ALA H H 1 8.196 0.03 . 1 . . . A 53 ALA H . 18811 1 351 . 1 1 37 37 ALA HA H 1 4.219608 0.03 . 1 . . . A 53 ALA HA . 18811 1 352 . 1 1 37 37 ALA HB1 H 1 1.476743 0.03 . 1 . . . A 53 ALA HB1 . 18811 1 353 . 1 1 37 37 ALA HB2 H 1 1.476743 0.03 . 1 . . . A 53 ALA HB2 . 18811 1 354 . 1 1 37 37 ALA HB3 H 1 1.476743 0.03 . 1 . . . A 53 ALA HB3 . 18811 1 355 . 1 1 37 37 ALA CA C 13 54.071713 0.3 . 1 . . . A 53 ALA CA . 18811 1 356 . 1 1 37 37 ALA CB C 13 18.090838 0.3 . 1 . . . A 53 ALA CB . 18811 1 357 . 1 1 37 37 ALA N N 15 123.549 0.3 . 1 . . . A 53 ALA N . 18811 1 358 . 1 1 38 38 ALA H H 1 7.453 0.03 . 1 . . . A 54 ALA H . 18811 1 359 . 1 1 38 38 ALA HA H 1 4.429215 0.03 . 1 . . . A 54 ALA HA . 18811 1 360 . 1 1 38 38 ALA HB1 H 1 1.428833 0.03 . 1 . . . A 54 ALA HB1 . 18811 1 361 . 1 1 38 38 ALA HB2 H 1 1.428833 0.03 . 1 . . . A 54 ALA HB2 . 18811 1 362 . 1 1 38 38 ALA HB3 H 1 1.428833 0.03 . 1 . . . A 54 ALA HB3 . 18811 1 363 . 1 1 38 38 ALA CA C 13 52.345076 0.3 . 1 . . . A 54 ALA CA . 18811 1 364 . 1 1 38 38 ALA CB C 13 19.511135 0.3 . 1 . . . A 54 ALA CB . 18811 1 365 . 1 1 38 38 ALA N N 15 117.819 0.3 . 1 . . . A 54 ALA N . 18811 1 366 . 1 1 39 39 LEU H H 1 7.541919 0.03 . 1 . . . A 55 LEU H . 18811 1 367 . 1 1 39 39 LEU HA H 1 4.075877 0.03 . 1 . . . A 55 LEU HA . 18811 1 368 . 1 1 39 39 LEU HB2 H 1 2.063644 0.03 . 1 . . . A 55 LEU HB2 . 18811 1 369 . 1 1 39 39 LEU HB3 H 1 1.494709 0.03 . 1 . . . A 55 LEU HB3 . 18811 1 370 . 1 1 39 39 LEU HG H 1 1.668384 0.03 . 1 . . . A 55 LEU HG . 18811 1 371 . 1 1 39 39 LEU HD11 H 1 0.811988 0.03 . 1 . . . A 55 LEU HD11 . 18811 1 372 . 1 1 39 39 LEU HD12 H 1 0.811988 0.03 . 1 . . . A 55 LEU HD12 . 18811 1 373 . 1 1 39 39 LEU HD13 H 1 0.811988 0.03 . 1 . . . A 55 LEU HD13 . 18811 1 374 . 1 1 39 39 LEU HD21 H 1 0.868554 0.03 . 1 . . . A 55 LEU HD21 . 18811 1 375 . 1 1 39 39 LEU HD22 H 1 0.868554 0.03 . 1 . . . A 55 LEU HD22 . 18811 1 376 . 1 1 39 39 LEU HD23 H 1 0.868554 0.03 . 1 . . . A 55 LEU HD23 . 18811 1 377 . 1 1 39 39 LEU CA C 13 60.142789 0.3 . 1 . . . A 55 LEU CA . 18811 1 378 . 1 1 39 39 LEU CB C 13 40.147225 0.3 . 1 . . . A 55 LEU CB . 18811 1 379 . 1 1 39 39 LEU CG C 13 27.141754 0.3 . 1 . . . A 55 LEU CG . 18811 1 380 . 1 1 39 39 LEU CD1 C 13 25.025232 0.3 . 1 . . . A 55 LEU CD1 . 18811 1 381 . 1 1 39 39 LEU CD2 C 13 23.713507 0.3 . 1 . . . A 55 LEU CD2 . 18811 1 382 . 1 1 39 39 LEU N N 15 118.839166 0.3 . 1 . . . A 55 LEU N . 18811 1 383 . 1 1 40 40 PRO HA H 1 4.226 0.03 . 1 . . . A 56 PRO HA . 18811 1 384 . 1 1 40 40 PRO HB2 H 1 2.369072 0.03 . 1 . . . A 56 PRO HB2 . 18811 1 385 . 1 1 40 40 PRO HB3 H 1 1.98579 0.03 . 1 . . . A 56 PRO HB3 . 18811 1 386 . 1 1 40 40 PRO HG2 H 1 2.195398 0.03 . 1 . . . A 56 PRO HG2 . 18811 1 387 . 1 1 40 40 PRO HG3 H 1 1.98579 0.03 . 1 . . . A 56 PRO HG3 . 18811 1 388 . 1 1 40 40 PRO HD2 H 1 3.752482 0.03 . 1 . . . A 56 PRO HD2 . 18811 1 389 . 1 1 40 40 PRO HD3 H 1 3.752482 0.03 . 1 . . . A 56 PRO HD3 . 18811 1 390 . 1 1 40 40 PRO CA C 13 67.18858 0.3 . 1 . . . A 56 PRO CA . 18811 1 391 . 1 1 40 40 PRO CB C 13 30.455782 0.3 . 1 . . . A 56 PRO CB . 18811 1 392 . 1 1 40 40 PRO CG C 13 28.422807 0.3 . 1 . . . A 56 PRO CG . 18811 1 393 . 1 1 40 40 PRO CD C 13 49.309538 0.3 . 1 . . . A 56 PRO CD . 18811 1 394 . 1 1 41 41 SER H H 1 7.464 0.03 . 1 . . . A 57 SER H . 18811 1 395 . 1 1 41 41 SER HA H 1 4.177686 0.03 . 1 . . . A 57 SER HA . 18811 1 396 . 1 1 41 41 SER HB2 H 1 3.968079 0.03 . 1 . . . A 57 SER HB2 . 18811 1 397 . 1 1 41 41 SER HB3 H 1 3.968079 0.03 . 1 . . . A 57 SER HB3 . 18811 1 398 . 1 1 41 41 SER CA C 13 61.813728 0.3 . 1 . . . A 57 SER CA . 18811 1 399 . 1 1 41 41 SER CB C 13 62.899838 0.3 . 1 . . . A 57 SER CB . 18811 1 400 . 1 1 41 41 SER N N 15 111.792 0.3 . 1 . . . A 57 SER N . 18811 1 401 . 1 1 42 42 VAL H H 1 7.947 0.03 . 1 . . . A 58 VAL H . 18811 1 402 . 1 1 42 42 VAL HA H 1 3.800393 0.03 . 1 . . . A 58 VAL HA . 18811 1 403 . 1 1 42 42 VAL HB H 1 2.201386 0.03 . 1 . . . A 58 VAL HB . 18811 1 404 . 1 1 42 42 VAL HG11 H 1 1.033573 0.03 . 1 . . . A 58 VAL HG11 . 18811 1 405 . 1 1 42 42 VAL HG12 H 1 1.033573 0.03 . 1 . . . A 58 VAL HG12 . 18811 1 406 . 1 1 42 42 VAL HG13 H 1 1.033573 0.03 . 1 . . . A 58 VAL HG13 . 18811 1 407 . 1 1 42 42 VAL HG21 H 1 0.913797 0.03 . 1 . . . A 58 VAL HG21 . 18811 1 408 . 1 1 42 42 VAL HG22 H 1 0.913797 0.03 . 1 . . . A 58 VAL HG22 . 18811 1 409 . 1 1 42 42 VAL HG23 H 1 0.913797 0.03 . 1 . . . A 58 VAL HG23 . 18811 1 410 . 1 1 42 42 VAL CA C 13 66.575902 0.3 . 1 . . . A 58 VAL CA . 18811 1 411 . 1 1 42 42 VAL CB C 13 32.15457 0.3 . 1 . . . A 58 VAL CB . 18811 1 412 . 1 1 42 42 VAL CG1 C 13 23.688481 0.3 . 1 . . . A 58 VAL CG1 . 18811 1 413 . 1 1 42 42 VAL CG2 C 13 22.045392 0.3 . 1 . . . A 58 VAL CG2 . 18811 1 414 . 1 1 42 42 VAL N N 15 123.061 0.3 . 1 . . . A 58 VAL N . 18811 1 415 . 1 1 43 43 ILE H H 1 8.373 0.03 . 1 . . . A 59 ILE H . 18811 1 416 . 1 1 43 43 ILE HA H 1 3.429088 0.03 . 1 . . . A 59 ILE HA . 18811 1 417 . 1 1 43 43 ILE HB H 1 1.848048 0.03 . 1 . . . A 59 ILE HB . 18811 1 418 . 1 1 43 43 ILE HG12 H 1 1.722283 0.03 . 1 . . . A 59 ILE HG12 . 18811 1 419 . 1 1 43 43 ILE HG13 H 1 0.80001 0.03 . 1 . . . A 59 ILE HG13 . 18811 1 420 . 1 1 43 43 ILE HG21 H 1 0.7521 0.03 . 1 . . . A 59 ILE HG21 . 18811 1 421 . 1 1 43 43 ILE HG22 H 1 0.7521 0.03 . 1 . . . A 59 ILE HG22 . 18811 1 422 . 1 1 43 43 ILE HG23 H 1 0.7521 0.03 . 1 . . . A 59 ILE HG23 . 18811 1 423 . 1 1 43 43 ILE HD11 H 1 0.644302 0.03 . 1 . . . A 59 ILE HD11 . 18811 1 424 . 1 1 43 43 ILE HD12 H 1 0.644302 0.03 . 1 . . . A 59 ILE HD12 . 18811 1 425 . 1 1 43 43 ILE HD13 H 1 0.644302 0.03 . 1 . . . A 59 ILE HD13 . 18811 1 426 . 1 1 43 43 ILE CA C 13 66.130319 0.3 . 1 . . . A 59 ILE CA . 18811 1 427 . 1 1 43 43 ILE CB C 13 37.640818 0.3 . 1 . . . A 59 ILE CB . 18811 1 428 . 1 1 43 43 ILE CG1 C 13 29.676011 0.3 . 1 . . . A 59 ILE CG1 . 18811 1 429 . 1 1 43 43 ILE CG2 C 13 17.617405 0.3 . 1 . . . A 59 ILE CG2 . 18811 1 430 . 1 1 43 43 ILE CD1 C 13 13.523606 0.3 . 1 . . . A 59 ILE CD1 . 18811 1 431 . 1 1 43 43 ILE N N 15 119.546 0.3 . 1 . . . A 59 ILE N . 18811 1 432 . 1 1 44 44 ALA H H 1 8.329 0.03 . 1 . . . A 60 ALA H . 18811 1 433 . 1 1 44 44 ALA HA H 1 3.908191 0.03 . 1 . . . A 60 ALA HA . 18811 1 434 . 1 1 44 44 ALA HB1 H 1 1.470754 0.03 . 1 . . . A 60 ALA HB1 . 18811 1 435 . 1 1 44 44 ALA HB2 H 1 1.470754 0.03 . 1 . . . A 60 ALA HB2 . 18811 1 436 . 1 1 44 44 ALA HB3 H 1 1.470754 0.03 . 1 . . . A 60 ALA HB3 . 18811 1 437 . 1 1 44 44 ALA CA C 13 55.826198 0.3 . 1 . . . A 60 ALA CA . 18811 1 438 . 1 1 44 44 ALA CB C 13 18.536421 0.3 . 1 . . . A 60 ALA CB . 18811 1 439 . 1 1 44 44 ALA N N 15 120.585 0.3 . 1 . . . A 60 ALA N . 18811 1 440 . 1 1 45 45 ASP H H 1 8.292 0.03 . 1 . . . A 61 ASP H . 18811 1 441 . 1 1 45 45 ASP HA H 1 4.525036 0.03 . 1 . . . A 61 ASP HA . 18811 1 442 . 1 1 45 45 ASP HB2 H 1 2.848175 0.03 . 1 . . . A 61 ASP HB2 . 18811 1 443 . 1 1 45 45 ASP HB3 H 1 2.644557 0.03 . 1 . . . A 61 ASP HB3 . 18811 1 444 . 1 1 45 45 ASP CA C 13 57.441439 0.3 . 1 . . . A 61 ASP CA . 18811 1 445 . 1 1 45 45 ASP CB C 13 40.982695 0.3 . 1 . . . A 61 ASP CB . 18811 1 446 . 1 1 45 45 ASP N N 15 119.393 0.3 . 1 . . . A 61 ASP N . 18811 1 447 . 1 1 46 46 LEU H H 1 8.48 0.03 . 1 . . . A 62 LEU H . 18811 1 448 . 1 1 46 46 LEU HA H 1 3.980056 0.03 . 1 . . . A 62 LEU HA . 18811 1 449 . 1 1 46 46 LEU HB2 H 1 2.051667 0.03 . 1 . . . A 62 LEU HB2 . 18811 1 450 . 1 1 46 46 LEU HB3 H 1 1.386911 0.03 . 1 . . . A 62 LEU HB3 . 18811 1 451 . 1 1 46 46 LEU HG H 1 1.895958 0.03 . 1 . . . A 62 LEU HG . 18811 1 452 . 1 1 46 46 LEU HD11 H 1 0.829954 0.03 . 1 . . . A 62 LEU HD11 . 18811 1 453 . 1 1 46 46 LEU HD12 H 1 0.829954 0.03 . 1 . . . A 62 LEU HD12 . 18811 1 454 . 1 1 46 46 LEU HD13 H 1 0.829954 0.03 . 1 . . . A 62 LEU HD13 . 18811 1 455 . 1 1 46 46 LEU HD21 H 1 0.925775 0.03 . 1 . . . A 62 LEU HD21 . 18811 1 456 . 1 1 46 46 LEU HD22 H 1 0.925775 0.03 . 1 . . . A 62 LEU HD22 . 18811 1 457 . 1 1 46 46 LEU HD23 H 1 0.925775 0.03 . 1 . . . A 62 LEU HD23 . 18811 1 458 . 1 1 46 46 LEU CA C 13 58.973132 0.3 . 1 . . . A 62 LEU CA . 18811 1 459 . 1 1 46 46 LEU CB C 13 43.238462 0.3 . 1 . . . A 62 LEU CB . 18811 1 460 . 1 1 46 46 LEU CG C 13 28.116468 0.3 . 1 . . . A 62 LEU CG . 18811 1 461 . 1 1 46 46 LEU CD1 C 13 26.222738 0.3 . 1 . . . A 62 LEU CD1 . 18811 1 462 . 1 1 46 46 LEU CD2 C 13 24.774591 0.3 . 1 . . . A 62 LEU CD2 . 18811 1 463 . 1 1 46 46 LEU N N 15 120.124 0.3 . 1 . . . A 62 LEU N . 18811 1 464 . 1 1 47 47 PHE H H 1 8.862 0.03 . 1 . . . A 63 PHE H . 18811 1 465 . 1 1 47 47 PHE HA H 1 3.746494 0.03 . 1 . . . A 63 PHE HA . 18811 1 466 . 1 1 47 47 PHE HB2 H 1 3.045805 0.03 . 1 . . . A 63 PHE HB2 . 18811 1 467 . 1 1 47 47 PHE HB3 H 1 3.045805 0.03 . 1 . . . A 63 PHE HB3 . 18811 1 468 . 1 1 47 47 PHE HD2 H 1 7.088237 0.03 . 1 . . . A 63 PHE HD2 . 18811 1 469 . 1 1 47 47 PHE CA C 13 62.342858 0.3 . 1 . . . A 63 PHE CA . 18811 1 470 . 1 1 47 47 PHE CB C 13 39.896585 0.3 . 1 . . . A 63 PHE CB . 18811 1 471 . 1 1 47 47 PHE CD2 C 13 132.048842 0.3 . 1 . . . A 63 PHE CD2 . 18811 1 472 . 1 1 47 47 PHE N N 15 119.683 0.3 . 1 . . . A 63 PHE N . 18811 1 473 . 1 1 48 48 ALA H H 1 7.99212 0.03 . 1 . . . A 64 ALA H . 18811 1 474 . 1 1 48 48 ALA HA H 1 4.094 0.03 . 1 . . . A 64 ALA HA . 18811 1 475 . 1 1 48 48 ALA HB1 H 1 1.596519 0.03 . 1 . . . A 64 ALA HB1 . 18811 1 476 . 1 1 48 48 ALA HB2 H 1 1.596519 0.03 . 1 . . . A 64 ALA HB2 . 18811 1 477 . 1 1 48 48 ALA HB3 H 1 1.596519 0.03 . 1 . . . A 64 ALA HB3 . 18811 1 478 . 1 1 48 48 ALA CA C 13 55.146 0.3 . 1 . . . A 64 ALA CA . 18811 1 479 . 1 1 48 48 ALA CB C 13 18.536421 0.3 . 1 . . . A 64 ALA CB . 18811 1 480 . 1 1 48 48 ALA N N 15 121.094694 0.3 . 1 . . . A 64 ALA N . 18811 1 481 . 1 1 49 49 GLN H H 1 8.427 0.03 . 1 . . . A 65 GLN H . 18811 1 482 . 1 1 49 49 GLN HA H 1 4.039944 0.03 . 1 . . . A 65 GLN HA . 18811 1 483 . 1 1 49 49 GLN HB2 H 1 2.177431 0.03 . 1 . . . A 65 GLN HB2 . 18811 1 484 . 1 1 49 49 GLN HB3 H 1 1.961835 0.03 . 1 . . . A 65 GLN HB3 . 18811 1 485 . 1 1 49 49 GLN HG2 H 1 2.686478 0.03 . 1 . . . A 65 GLN HG2 . 18811 1 486 . 1 1 49 49 GLN HG3 H 1 2.303196 0.03 . 1 . . . A 65 GLN HG3 . 18811 1 487 . 1 1 49 49 GLN HE21 H 1 6.707066 0.03 . 1 . . . A 65 GLN HE21 . 18811 1 488 . 1 1 49 49 GLN HE22 H 1 7.416428 0.03 . 1 . . . A 65 GLN HE22 . 18811 1 489 . 1 1 49 49 GLN CA C 13 59.363018 0.3 . 1 . . . A 65 GLN CA . 18811 1 490 . 1 1 49 49 GLN CB C 13 30.121595 0.3 . 1 . . . A 65 GLN CB . 18811 1 491 . 1 1 49 49 GLN CG C 13 34.772373 0.3 . 1 . . . A 65 GLN CG . 18811 1 492 . 1 1 49 49 GLN N N 15 117.555 0.3 . 1 . . . A 65 GLN N . 18811 1 493 . 1 1 49 49 GLN NE2 N 15 110.954419 0.3 . 1 . . . A 65 GLN NE2 . 18811 1 494 . 1 1 50 50 VAL H H 1 9.233 0.03 . 1 . . . A 66 VAL H . 18811 1 495 . 1 1 50 50 VAL HA H 1 3.261402 0.03 . 1 . . . A 66 VAL HA . 18811 1 496 . 1 1 50 50 VAL HB H 1 1.782171 0.03 . 1 . . . A 66 VAL HB . 18811 1 497 . 1 1 50 50 VAL HG11 H 1 0.82786 0.03 . 1 . . . A 66 VAL HG11 . 18811 1 498 . 1 1 50 50 VAL HG12 H 1 0.82786 0.03 . 1 . . . A 66 VAL HG12 . 18811 1 499 . 1 1 50 50 VAL HG13 H 1 0.82786 0.03 . 1 . . . A 66 VAL HG13 . 18811 1 500 . 1 1 50 50 VAL HG21 H 1 0.709945 0.03 . 1 . . . A 66 VAL HG21 . 18811 1 501 . 1 1 50 50 VAL HG22 H 1 0.709945 0.03 . 1 . . . A 66 VAL HG22 . 18811 1 502 . 1 1 50 50 VAL HG23 H 1 0.709945 0.03 . 1 . . . A 66 VAL HG23 . 18811 1 503 . 1 1 50 50 VAL CA C 13 67.216429 0.3 . 1 . . . A 66 VAL CA . 18811 1 504 . 1 1 50 50 VAL CB C 13 30.845668 0.3 . 1 . . . A 66 VAL CB . 18811 1 505 . 1 1 50 50 VAL CG1 C 13 22.959554 0.3 . 1 . . . A 66 VAL CG1 . 18811 1 506 . 1 1 50 50 VAL CG2 C 13 22.609683 0.3 . 1 . . . A 66 VAL CG2 . 18811 1 507 . 1 1 50 50 VAL N N 15 121.105 0.3 . 1 . . . A 66 VAL N . 18811 1 508 . 1 1 51 51 GLY H H 1 7.921 0.03 . 1 . . . A 67 GLY H . 18811 1 509 . 1 1 51 51 GLY HA2 H 1 3.453043 0.03 . 1 . . . A 67 GLY HA2 . 18811 1 510 . 1 1 51 51 GLY HA3 H 1 3.860281 0.03 . 1 . . . A 67 GLY HA3 . 18811 1 511 . 1 1 51 51 GLY CA C 13 47.36011 0.3 . 1 . . . A 67 GLY CA . 18811 1 512 . 1 1 51 51 GLY N N 15 106.747 0.3 . 1 . . . A 67 GLY N . 18811 1 513 . 1 1 52 52 ALA H H 1 7.681 0.03 . 1 . . . A 68 ALA H . 18811 1 514 . 1 1 52 52 ALA HA H 1 4.129776 0.03 . 1 . . . A 68 ALA HA . 18811 1 515 . 1 1 52 52 ALA HB1 H 1 1.434822 0.03 . 1 . . . A 68 ALA HB1 . 18811 1 516 . 1 1 52 52 ALA HB2 H 1 1.434822 0.03 . 1 . . . A 68 ALA HB2 . 18811 1 517 . 1 1 52 52 ALA HB3 H 1 1.434822 0.03 . 1 . . . A 68 ALA HB3 . 18811 1 518 . 1 1 52 52 ALA CA C 13 54.322354 0.3 . 1 . . . A 68 ALA CA . 18811 1 519 . 1 1 52 52 ALA CB C 13 18.759213 0.3 . 1 . . . A 68 ALA CB . 18811 1 520 . 1 1 52 52 ALA N N 15 121.263 0.3 . 1 . . . A 68 ALA N . 18811 1 521 . 1 1 53 53 SER H H 1 7.444 0.03 . 1 . . . A 69 SER H . 18811 1 522 . 1 1 53 53 SER HA H 1 4.489103 0.03 . 1 . . . A 69 SER HA . 18811 1 523 . 1 1 53 53 SER HB2 H 1 3.974067 0.03 . 1 . . . A 69 SER HB2 . 18811 1 524 . 1 1 53 53 SER HB3 H 1 3.974067 0.03 . 1 . . . A 69 SER HB3 . 18811 1 525 . 1 1 53 53 SER CA C 13 59.223773 0.3 . 1 . . . A 69 SER CA . 18811 1 526 . 1 1 53 53 SER CB C 13 64.626474 0.3 . 1 . . . A 69 SER CB . 18811 1 527 . 1 1 53 53 SER N N 15 110.165 0.3 . 1 . . . A 69 SER N . 18811 1 528 . 1 1 54 54 SER H H 1 7.258 0.03 . 1 . . . A 70 SER H . 18811 1 529 . 1 1 54 54 SER HA H 1 4.944251 0.03 . 1 . . . A 70 SER HA . 18811 1 530 . 1 1 54 54 SER HB2 H 1 3.632707 0.03 . 1 . . . A 70 SER HB2 . 18811 1 531 . 1 1 54 54 SER HB3 H 1 3.632707 0.03 . 1 . . . A 70 SER HB3 . 18811 1 532 . 1 1 54 54 SER CA C 13 55.016 0.3 . 1 . . . A 70 SER CA . 18811 1 533 . 1 1 54 54 SER CB C 13 63.596062 0.3 . 1 . . . A 70 SER CB . 18811 1 534 . 1 1 54 54 SER N N 15 116.277331 0.3 . 1 . . . A 70 SER N . 18811 1 535 . 1 1 55 55 PRO HA H 1 4.399271 0.03 . 1 . . . A 71 PRO HA . 18811 1 536 . 1 1 55 55 PRO HB2 H 1 2.189409 0.03 . 1 . . . A 71 PRO HB2 . 18811 1 537 . 1 1 55 55 PRO HB3 H 1 1.889969 0.03 . 1 . . . A 71 PRO HB3 . 18811 1 538 . 1 1 55 55 PRO HG2 H 1 1.955846 0.03 . 1 . . . A 71 PRO HG2 . 18811 1 539 . 1 1 55 55 PRO HG3 H 1 1.955846 0.03 . 1 . . . A 71 PRO HG3 . 18811 1 540 . 1 1 55 55 PRO HD2 H 1 3.572819 0.03 . 1 . . . A 71 PRO HD2 . 18811 1 541 . 1 1 55 55 PRO HD3 H 1 3.352968 0.03 . 1 . . . A 71 PRO HD3 . 18811 1 542 . 1 1 55 55 PRO CA C 13 63.846703 0.3 . 1 . . . A 71 PRO CA . 18811 1 543 . 1 1 55 55 PRO CB C 13 31.486194 0.3 . 1 . . . A 71 PRO CB . 18811 1 544 . 1 1 55 55 PRO CG C 13 27.53164 0.3 . 1 . . . A 71 PRO CG . 18811 1 545 . 1 1 55 55 PRO CD C 13 50.190512 0.3 . 1 . . . A 71 PRO CD . 18811 1 546 . 1 1 56 56 GLY H H 1 8.754 0.03 . 1 . . . A 72 GLY H . 18811 1 547 . 1 1 56 56 GLY HA2 H 1 3.752482 0.03 . 1 . . . A 72 GLY HA2 . 18811 1 548 . 1 1 56 56 GLY HA3 H 1 3.986045 0.03 . 1 . . . A 72 GLY HA3 . 18811 1 549 . 1 1 56 56 GLY CA C 13 45.967661 0.3 . 1 . . . A 72 GLY CA . 18811 1 550 . 1 1 56 56 GLY N N 15 110.119 0.3 . 1 . . . A 72 GLY N . 18811 1 551 . 1 1 57 57 VAL H H 1 7.162 0.03 . 1 . . . A 73 VAL H . 18811 1 552 . 1 1 57 57 VAL HA H 1 4.177686 0.03 . 1 . . . A 73 VAL HA . 18811 1 553 . 1 1 57 57 VAL HB H 1 1.98579 0.03 . 1 . . . A 73 VAL HB . 18811 1 554 . 1 1 57 57 VAL HG11 H 1 0.788033 0.03 . 1 . . . A 73 VAL HG11 . 18811 1 555 . 1 1 57 57 VAL HG12 H 1 0.788033 0.03 . 1 . . . A 73 VAL HG12 . 18811 1 556 . 1 1 57 57 VAL HG13 H 1 0.788033 0.03 . 1 . . . A 73 VAL HG13 . 18811 1 557 . 1 1 57 57 VAL HG21 H 1 0.87188 0.03 . 1 . . . A 73 VAL HG21 . 18811 1 558 . 1 1 57 57 VAL HG22 H 1 0.87188 0.03 . 1 . . . A 73 VAL HG22 . 18811 1 559 . 1 1 57 57 VAL HG23 H 1 0.87188 0.03 . 1 . . . A 73 VAL HG23 . 18811 1 560 . 1 1 57 57 VAL CA C 13 61.702332 0.3 . 1 . . . A 73 VAL CA . 18811 1 561 . 1 1 57 57 VAL CB C 13 32.321664 0.3 . 1 . . . A 73 VAL CB . 18811 1 562 . 1 1 57 57 VAL CG1 C 13 21.404866 0.3 . 1 . . . A 73 VAL CG1 . 18811 1 563 . 1 1 57 57 VAL CG2 C 13 21.73905 0.3 . 1 . . . A 73 VAL CG2 . 18811 1 564 . 1 1 57 57 VAL N N 15 118.846 0.3 . 1 . . . A 73 VAL N . 18811 1 565 . 1 1 58 58 SER H H 1 8.819 0.03 . 1 . . . A 74 SER H . 18811 1 566 . 1 1 58 58 SER HA H 1 4.345372 0.03 . 1 . . . A 74 SER HA . 18811 1 567 . 1 1 58 58 SER HB2 H 1 4.30944 0.03 . 1 . . . A 74 SER HB2 . 18811 1 568 . 1 1 58 58 SER HB3 H 1 4.075877 0.03 . 1 . . . A 74 SER HB3 . 18811 1 569 . 1 1 58 58 SER CA C 13 58.555398 0.3 . 1 . . . A 74 SER CA . 18811 1 570 . 1 1 58 58 SER CB C 13 65.127756 0.3 . 1 . . . A 74 SER CB . 18811 1 571 . 1 1 58 58 SER N N 15 122.172 0.3 . 1 . . . A 74 SER N . 18811 1 572 . 1 1 59 59 ASP H H 1 8.863 0.03 . 1 . . . A 75 ASP H . 18811 1 573 . 1 1 59 59 ASP HA H 1 4.32766 0.03 . 1 . . . A 75 ASP HA . 18811 1 574 . 1 1 59 59 ASP HB2 H 1 2.740377 0.03 . 1 . . . A 75 ASP HB2 . 18811 1 575 . 1 1 59 59 ASP HB3 H 1 2.740377 0.03 . 1 . . . A 75 ASP HB3 . 18811 1 576 . 1 1 59 59 ASP CA C 13 57.623223 0.3 . 1 . . . A 75 ASP CA . 18811 1 577 . 1 1 59 59 ASP CB C 13 40.481413 0.3 . 1 . . . A 75 ASP CB . 18811 1 578 . 1 1 59 59 ASP N N 15 121.814369 0.3 . 1 . . . A 75 ASP N . 18811 1 579 . 1 1 60 60 SER H H 1 8.258 0.03 . 1 . . . A 76 SER H . 18811 1 580 . 1 1 60 60 SER HA H 1 4.045933 0.03 . 1 . . . A 76 SER HA . 18811 1 581 . 1 1 60 60 SER HB2 H 1 3.800393 0.03 . 1 . . . A 76 SER HB2 . 18811 1 582 . 1 1 60 60 SER HB3 H 1 3.800393 0.03 . 1 . . . A 76 SER HB3 . 18811 1 583 . 1 1 60 60 SER CA C 13 62.426405 0.3 . 1 . . . A 76 SER CA . 18811 1 584 . 1 1 60 60 SER CB C 13 62.677046 0.3 . 1 . . . A 76 SER CB . 18811 1 585 . 1 1 60 60 SER N N 15 113.63 0.3 . 1 . . . A 76 SER N . 18811 1 586 . 1 1 61 61 GLU H H 1 7.58 0.03 . 1 . . . A 77 GLU H . 18811 1 587 . 1 1 61 61 GLU HA H 1 3.746494 0.03 . 1 . . . A 77 GLU HA . 18811 1 588 . 1 1 61 61 GLU HB2 H 1 2.021723 0.03 . 1 . . . A 77 GLU HB2 . 18811 1 589 . 1 1 61 61 GLU HB3 H 1 2.021723 0.03 . 1 . . . A 77 GLU HB3 . 18811 1 590 . 1 1 61 61 GLU HG2 H 1 2.13551 0.03 . 1 . . . A 77 GLU HG2 . 18811 1 591 . 1 1 61 61 GLU HG3 H 1 1.931891 0.03 . 1 . . . A 77 GLU HG3 . 18811 1 592 . 1 1 61 61 GLU CA C 13 60.421279 0.3 . 1 . . . A 77 GLU CA . 18811 1 593 . 1 1 61 61 GLU CB C 13 28.088619 0.3 . 1 . . . A 77 GLU CB . 18811 1 594 . 1 1 61 61 GLU CG C 13 37.445875 0.3 . 1 . . . A 77 GLU CG . 18811 1 595 . 1 1 61 61 GLU N N 15 122.877 0.3 . 1 . . . A 77 GLU N . 18811 1 596 . 1 1 62 62 VAL H H 1 8.16 0.03 . 1 . . . A 78 VAL H . 18811 1 597 . 1 1 62 62 VAL HA H 1 3.273379 0.03 . 1 . . . A 78 VAL HA . 18811 1 598 . 1 1 62 62 VAL HB H 1 2.069633 0.03 . 1 . . . A 78 VAL HB . 18811 1 599 . 1 1 62 62 VAL HG11 H 1 0.770066 0.03 . 1 . . . A 78 VAL HG11 . 18811 1 600 . 1 1 62 62 VAL HG12 H 1 0.770066 0.03 . 1 . . . A 78 VAL HG12 . 18811 1 601 . 1 1 62 62 VAL HG13 H 1 0.770066 0.03 . 1 . . . A 78 VAL HG13 . 18811 1 602 . 1 1 62 62 VAL HG21 H 1 0.320907 0.03 . 1 . . . A 78 VAL HG21 . 18811 1 603 . 1 1 62 62 VAL HG22 H 1 0.320907 0.03 . 1 . . . A 78 VAL HG22 . 18811 1 604 . 1 1 62 62 VAL HG23 H 1 0.320907 0.03 . 1 . . . A 78 VAL HG23 . 18811 1 605 . 1 1 62 62 VAL CA C 13 67.46707 0.3 . 1 . . . A 78 VAL CA . 18811 1 606 . 1 1 62 62 VAL CB C 13 31.040611 0.3 . 1 . . . A 78 VAL CB . 18811 1 607 . 1 1 62 62 VAL CG1 C 13 23.493539 0.3 . 1 . . . A 78 VAL CG1 . 18811 1 608 . 1 1 62 62 VAL CG2 C 13 21.739053 0.3 . 1 . . . A 78 VAL CG2 . 18811 1 609 . 1 1 62 62 VAL N N 15 119.972 0.3 . 1 . . . A 78 VAL N . 18811 1 610 . 1 1 63 63 LEU H H 1 7.971728 0.03 . 1 . . . A 79 LEU H . 18811 1 611 . 1 1 63 63 LEU HA H 1 3.998023 0.03 . 1 . . . A 79 LEU HA . 18811 1 612 . 1 1 63 63 LEU HB2 H 1 1.901947 0.03 . 1 . . . A 79 LEU HB2 . 18811 1 613 . 1 1 63 63 LEU HB3 H 1 1.716295 0.03 . 1 . . . A 79 LEU HB3 . 18811 1 614 . 1 1 63 63 LEU HG H 1 1.662396 0.03 . 1 . . . A 79 LEU HG . 18811 1 615 . 1 1 63 63 LEU HD11 H 1 0.801304 0.03 . 1 . . . A 79 LEU HD11 . 18811 1 616 . 1 1 63 63 LEU HD12 H 1 0.801304 0.03 . 1 . . . A 79 LEU HD12 . 18811 1 617 . 1 1 63 63 LEU HD13 H 1 0.801304 0.03 . 1 . . . A 79 LEU HD13 . 18811 1 618 . 1 1 63 63 LEU HD21 H 1 0.88385 0.03 . 1 . . . A 79 LEU HD21 . 18811 1 619 . 1 1 63 63 LEU HD22 H 1 0.88385 0.03 . 1 . . . A 79 LEU HD22 . 18811 1 620 . 1 1 63 63 LEU HD23 H 1 0.88385 0.03 . 1 . . . A 79 LEU HD23 . 18811 1 621 . 1 1 63 63 LEU CA C 13 58.4997 0.3 . 1 . . . A 79 LEU CA . 18811 1 622 . 1 1 63 63 LEU CB C 13 42.180201 0.3 . 1 . . . A 79 LEU CB . 18811 1 623 . 1 1 63 63 LEU CG C 13 27.280999 0.3 . 1 . . . A 79 LEU CG . 18811 1 624 . 1 1 63 63 LEU CD1 C 13 25.791913 0.3 . 1 . . . A 79 LEU CD1 . 18811 1 625 . 1 1 63 63 LEU CD2 C 13 24.068357 0.3 . 1 . . . A 79 LEU CD2 . 18811 1 626 . 1 1 63 63 LEU N N 15 118.031631 0.3 . 1 . . . A 79 LEU N . 18811 1 627 . 1 1 64 64 ILE H H 1 8.087 0.03 . 1 . . . A 80 ILE H . 18811 1 628 . 1 1 64 64 ILE HA H 1 3.363211 0.03 . 1 . . . A 80 ILE HA . 18811 1 629 . 1 1 64 64 ILE HB H 1 1.818104 0.03 . 1 . . . A 80 ILE HB . 18811 1 630 . 1 1 64 64 ILE HG12 H 1 1.854037 0.03 . 1 . . . A 80 ILE HG12 . 18811 1 631 . 1 1 64 64 ILE HG13 H 1 0.692212 0.03 . 1 . . . A 80 ILE HG13 . 18811 1 632 . 1 1 64 64 ILE HG21 H 1 0.740122 0.03 . 1 . . . A 80 ILE HG21 . 18811 1 633 . 1 1 64 64 ILE HG22 H 1 0.740122 0.03 . 1 . . . A 80 ILE HG22 . 18811 1 634 . 1 1 64 64 ILE HG23 H 1 0.740122 0.03 . 1 . . . A 80 ILE HG23 . 18811 1 635 . 1 1 64 64 ILE HD11 H 1 0.770066 0.03 . 1 . . . A 80 ILE HD11 . 18811 1 636 . 1 1 64 64 ILE HD12 H 1 0.770066 0.03 . 1 . . . A 80 ILE HD12 . 18811 1 637 . 1 1 64 64 ILE HD13 H 1 0.770066 0.03 . 1 . . . A 80 ILE HD13 . 18811 1 638 . 1 1 64 64 ILE CA C 13 66.770845 0.3 . 1 . . . A 80 ILE CA . 18811 1 639 . 1 1 64 64 ILE CB C 13 37.891459 0.3 . 1 . . . A 80 ILE CB . 18811 1 640 . 1 1 64 64 ILE CG1 C 13 31.848231 0.3 . 1 . . . A 80 ILE CG1 . 18811 1 641 . 1 1 64 64 ILE CG2 C 13 17.283217 0.3 . 1 . . . A 80 ILE CG2 . 18811 1 642 . 1 1 64 64 ILE CD1 C 13 13.857793 0.3 . 1 . . . A 80 ILE CD1 . 18811 1 643 . 1 1 64 64 ILE N N 15 118.839 0.3 . 1 . . . A 80 ILE N . 18811 1 644 . 1 1 65 65 GLN H H 1 8.539577 0.03 . 1 . . . A 81 GLN H . 18811 1 645 . 1 1 65 65 GLN HA H 1 3.572819 0.03 . 1 . . . A 81 GLN HA . 18811 1 646 . 1 1 65 65 GLN HB2 H 1 2.285229 0.03 . 1 . . . A 81 GLN HB2 . 18811 1 647 . 1 1 65 65 GLN HB3 H 1 2.285229 0.03 . 1 . . . A 81 GLN HB3 . 18811 1 648 . 1 1 65 65 GLN HG2 H 1 2.375061 0.03 . 1 . . . A 81 GLN HG2 . 18811 1 649 . 1 1 65 65 GLN HG3 H 1 1.949857 0.03 . 1 . . . A 81 GLN HG3 . 18811 1 650 . 1 1 65 65 GLN HE21 H 1 9.712118 0.03 . 1 . . . A 81 GLN HE21 . 18811 1 651 . 1 1 65 65 GLN HE22 H 1 5.640388 0.03 . 1 . . . A 81 GLN HE22 . 18811 1 652 . 1 1 65 65 GLN CA C 13 59.836451 0.3 . 1 . . . A 81 GLN CA . 18811 1 653 . 1 1 65 65 GLN CB C 13 28.450656 0.3 . 1 . . . A 81 GLN CB . 18811 1 654 . 1 1 65 65 GLN CG C 13 33.24068 0.3 . 1 . . . A 81 GLN CG . 18811 1 655 . 1 1 65 65 GLN N N 15 120.370697 0.3 . 1 . . . A 81 GLN N . 18811 1 656 . 1 1 65 65 GLN NE2 N 15 111.382031 0.3 . 1 . . . A 81 GLN NE2 . 18811 1 657 . 1 1 66 66 VAL H H 1 8.54238 0.03 . 1 . . . A 82 VAL H . 18811 1 658 . 1 1 66 66 VAL HA H 1 3.327278 0.03 . 1 . . . A 82 VAL HA . 18811 1 659 . 1 1 66 66 VAL HB H 1 2.434949 0.03 . 1 . . . A 82 VAL HB . 18811 1 660 . 1 1 66 66 VAL HG11 H 1 0.92577 0.03 . 1 . . . A 82 VAL HG11 . 18811 1 661 . 1 1 66 66 VAL HG12 H 1 0.92577 0.03 . 1 . . . A 82 VAL HG12 . 18811 1 662 . 1 1 66 66 VAL HG13 H 1 0.92577 0.03 . 1 . . . A 82 VAL HG13 . 18811 1 663 . 1 1 66 66 VAL HG21 H 1 0.92577 0.03 . 1 . . . A 82 VAL HG21 . 18811 1 664 . 1 1 66 66 VAL HG22 H 1 0.92577 0.03 . 1 . . . A 82 VAL HG22 . 18811 1 665 . 1 1 66 66 VAL HG23 H 1 0.92577 0.03 . 1 . . . A 82 VAL HG23 . 18811 1 666 . 1 1 66 66 VAL CA C 13 67.105033 0.3 . 1 . . . A 82 VAL CA . 18811 1 667 . 1 1 66 66 VAL CB C 13 31.681137 0.3 . 1 . . . A 82 VAL CB . 18811 1 668 . 1 1 66 66 VAL CG1 C 13 23.96697 0.3 . 1 . . . A 82 VAL CG1 . 18811 1 669 . 1 1 66 66 VAL CG2 C 13 21.265621 0.3 . 1 . . . A 82 VAL CG2 . 18811 1 670 . 1 1 66 66 VAL N N 15 117.586095 0.3 . 1 . . . A 82 VAL N . 18811 1 671 . 1 1 67 67 LEU H H 1 8.29 0.03 . 1 . . . A 83 LEU H . 18811 1 672 . 1 1 67 67 LEU HA H 1 3.980056 0.03 . 1 . . . A 83 LEU HA . 18811 1 673 . 1 1 67 67 LEU HB2 H 1 2.081611 0.03 . 1 . . . A 83 LEU HB2 . 18811 1 674 . 1 1 67 67 LEU HB3 H 1 1.159337 0.03 . 1 . . . A 83 LEU HB3 . 18811 1 675 . 1 1 67 67 LEU HG H 1 0.84792 0.03 . 1 . . . A 83 LEU HG . 18811 1 676 . 1 1 67 67 LEU HD11 H 1 0.764077 0.03 . 1 . . . A 83 LEU HD11 . 18811 1 677 . 1 1 67 67 LEU HD12 H 1 0.764077 0.03 . 1 . . . A 83 LEU HD12 . 18811 1 678 . 1 1 67 67 LEU HD13 H 1 0.764077 0.03 . 1 . . . A 83 LEU HD13 . 18811 1 679 . 1 1 67 67 LEU CA C 13 58.360455 0.3 . 1 . . . A 83 LEU CA . 18811 1 680 . 1 1 67 67 LEU CB C 13 42.625784 0.3 . 1 . . . A 83 LEU CB . 18811 1 681 . 1 1 67 67 LEU CG C 13 27.169603 0.3 . 1 . . . A 83 LEU CG . 18811 1 682 . 1 1 67 67 LEU CD1 C 13 22.546674 0.3 . 1 . . . A 83 LEU CD1 . 18811 1 683 . 1 1 67 67 LEU N N 15 117.549 0.3 . 1 . . . A 83 LEU N . 18811 1 684 . 1 1 68 68 LEU H H 1 8.842325 0.03 . 1 . . . A 84 LEU H . 18811 1 685 . 1 1 68 68 LEU HA H 1 3.91418 0.03 . 1 . . . A 84 LEU HA . 18811 1 686 . 1 1 68 68 LEU HB2 H 1 2.105566 0.03 . 1 . . . A 84 LEU HB2 . 18811 1 687 . 1 1 68 68 LEU HB3 H 1 1.249169 0.03 . 1 . . . A 84 LEU HB3 . 18811 1 688 . 1 1 68 68 LEU HG H 1 1.877992 0.03 . 1 . . . A 84 LEU HG . 18811 1 689 . 1 1 68 68 LEU HD11 H 1 0.698201 0.03 . 1 . . . A 84 LEU HD11 . 18811 1 690 . 1 1 68 68 LEU HD12 H 1 0.698201 0.03 . 1 . . . A 84 LEU HD12 . 18811 1 691 . 1 1 68 68 LEU HD13 H 1 0.698201 0.03 . 1 . . . A 84 LEU HD13 . 18811 1 692 . 1 1 68 68 LEU CA C 13 58.444002 0.3 . 1 . . . A 84 LEU CA . 18811 1 693 . 1 1 68 68 LEU CB C 13 42.792878 0.3 . 1 . . . A 84 LEU CB . 18811 1 694 . 1 1 68 68 LEU CG C 13 26.16704 0.3 . 1 . . . A 84 LEU CG . 18811 1 695 . 1 1 68 68 LEU CD1 C 13 23.966971 0.3 . 1 . . . A 84 LEU CD1 . 18811 1 696 . 1 1 68 68 LEU N N 15 119.869469 0.3 . 1 . . . A 84 LEU N . 18811 1 697 . 1 1 69 69 GLU H H 1 8.559 0.03 . 1 . . . A 85 GLU H . 18811 1 698 . 1 1 69 69 GLU HA H 1 3.752482 0.03 . 1 . . . A 85 GLU HA . 18811 1 699 . 1 1 69 69 GLU HB2 H 1 2.099577 0.03 . 1 . . . A 85 GLU HB2 . 18811 1 700 . 1 1 69 69 GLU HB3 H 1 1.883981 0.03 . 1 . . . A 85 GLU HB3 . 18811 1 701 . 1 1 69 69 GLU HG2 H 1 2.620602 0.03 . 1 . . . A 85 GLU HG2 . 18811 1 702 . 1 1 69 69 GLU HG3 H 1 1.824093 0.03 . 1 . . . A 85 GLU HG3 . 18811 1 703 . 1 1 69 69 GLU CA C 13 61.590936 0.3 . 1 . . . A 85 GLU CA . 18811 1 704 . 1 1 69 69 GLU CB C 13 28.61775 0.3 . 1 . . . A 85 GLU CB . 18811 1 705 . 1 1 69 69 GLU CG C 13 39.20036 0.3 . 1 . . . A 85 GLU CG . 18811 1 706 . 1 1 69 69 GLU N N 15 124.649 0.3 . 1 . . . A 85 GLU N . 18811 1 707 . 1 1 70 70 ILE H H 1 8.721 0.03 . 1 . . . A 86 ILE H . 18811 1 708 . 1 1 70 70 ILE HA H 1 3.740505 0.03 . 1 . . . A 86 ILE HA . 18811 1 709 . 1 1 70 70 ILE HB H 1 2.009745 0.03 . 1 . . . A 86 ILE HB . 18811 1 710 . 1 1 70 70 ILE HG12 H 1 1.668384 0.03 . 1 . . . A 86 ILE HG12 . 18811 1 711 . 1 1 70 70 ILE HG13 H 1 0.985663 0.03 . 1 . . . A 86 ILE HG13 . 18811 1 712 . 1 1 70 70 ILE HG21 H 1 0.817977 0.03 . 1 . . . A 86 ILE HG21 . 18811 1 713 . 1 1 70 70 ILE HG22 H 1 0.817977 0.03 . 1 . . . A 86 ILE HG22 . 18811 1 714 . 1 1 70 70 ILE HG23 H 1 0.817977 0.03 . 1 . . . A 86 ILE HG23 . 18811 1 715 . 1 1 70 70 ILE HD11 H 1 0.674246 0.03 . 1 . . . A 86 ILE HD11 . 18811 1 716 . 1 1 70 70 ILE HD12 H 1 0.674246 0.03 . 1 . . . A 86 ILE HD12 . 18811 1 717 . 1 1 70 70 ILE HD13 H 1 0.674246 0.03 . 1 . . . A 86 ILE HD13 . 18811 1 718 . 1 1 70 70 ILE CA C 13 65.099907 0.3 . 1 . . . A 86 ILE CA . 18811 1 719 . 1 1 70 70 ILE CB C 13 36.805349 0.3 . 1 . . . A 86 ILE CB . 18811 1 720 . 1 1 70 70 ILE CG1 C 13 29.091183 0.3 . 1 . . . A 86 ILE CG1 . 18811 1 721 . 1 1 70 70 ILE CG2 C 13 18.090838 0.3 . 1 . . . A 86 ILE CG2 . 18811 1 722 . 1 1 70 70 ILE CD1 C 13 13.6907 0.3 . 1 . . . A 86 ILE CD1 . 18811 1 723 . 1 1 70 70 ILE N N 15 122.1 0.3 . 1 . . . A 86 ILE N . 18811 1 724 . 1 1 71 71 VAL H H 1 9.057 0.03 . 1 . . . A 87 VAL H . 18811 1 725 . 1 1 71 71 VAL HA H 1 3.333267 0.03 . 1 . . . A 87 VAL HA . 18811 1 726 . 1 1 71 71 VAL HB H 1 2.255285 0.03 . 1 . . . A 87 VAL HB . 18811 1 727 . 1 1 71 71 VAL HG11 H 1 1.039562 0.03 . 1 . . . A 87 VAL HG11 . 18811 1 728 . 1 1 71 71 VAL HG12 H 1 1.039562 0.03 . 1 . . . A 87 VAL HG12 . 18811 1 729 . 1 1 71 71 VAL HG13 H 1 1.039562 0.03 . 1 . . . A 87 VAL HG13 . 18811 1 730 . 1 1 71 71 VAL HG21 H 1 0.80001 0.03 . 1 . . . A 87 VAL HG21 . 18811 1 731 . 1 1 71 71 VAL HG22 H 1 0.80001 0.03 . 1 . . . A 87 VAL HG22 . 18811 1 732 . 1 1 71 71 VAL HG23 H 1 0.80001 0.03 . 1 . . . A 87 VAL HG23 . 18811 1 733 . 1 1 71 71 VAL CA C 13 68.497482 0.3 . 1 . . . A 87 VAL CA . 18811 1 734 . 1 1 71 71 VAL CB C 13 31.486194 0.3 . 1 . . . A 87 VAL CB . 18811 1 735 . 1 1 71 71 VAL CG1 C 13 25.860701 0.3 . 1 . . . A 87 VAL CG1 . 18811 1 736 . 1 1 71 71 VAL CG2 C 13 22.351731 0.3 . 1 . . . A 87 VAL CG2 . 18811 1 737 . 1 1 71 71 VAL N N 15 121.777 0.3 . 1 . . . A 87 VAL N . 18811 1 738 . 1 1 72 72 SER H H 1 8.231 0.03 . 1 . . . A 88 SER H . 18811 1 739 . 1 1 72 72 SER HA H 1 3.992034 0.03 . 1 . . . A 88 SER HA . 18811 1 740 . 1 1 72 72 SER CA C 13 63.985948 0.3 . 1 . . . A 88 SER CA . 18811 1 741 . 1 1 72 72 SER N N 15 114.46 0.3 . 1 . . . A 88 SER N . 18811 1 742 . 1 1 73 73 SER H H 1 8.345065 0.03 . 1 . . . A 89 SER H . 18811 1 743 . 1 1 73 73 SER HA H 1 4.05791 0.03 . 1 . . . A 89 SER HA . 18811 1 744 . 1 1 73 73 SER HB2 H 1 3.866269 0.03 . 1 . . . A 89 SER HB2 . 18811 1 745 . 1 1 73 73 SER HB3 H 1 3.866269 0.03 . 1 . . . A 89 SER HB3 . 18811 1 746 . 1 1 73 73 SER CA C 13 63.735307 0.3 . 1 . . . A 89 SER CA . 18811 1 747 . 1 1 73 73 SER CB C 13 63.735307 0.3 . 1 . . . A 89 SER CB . 18811 1 748 . 1 1 73 73 SER N N 15 119.006242 0.3 . 1 . . . A 89 SER N . 18811 1 749 . 1 1 74 74 LEU H H 1 8.107 0.03 . 1 . . . A 90 LEU H . 18811 1 750 . 1 1 74 74 LEU HA H 1 4.004011 0.03 . 1 . . . A 90 LEU HA . 18811 1 751 . 1 1 74 74 LEU HB2 H 1 2.051667 0.03 . 1 . . . A 90 LEU HB2 . 18811 1 752 . 1 1 74 74 LEU HB3 H 1 1.165326 0.03 . 1 . . . A 90 LEU HB3 . 18811 1 753 . 1 1 74 74 LEU HG H 1 0.865887 0.03 . 1 . . . A 90 LEU HG . 18811 1 754 . 1 1 74 74 LEU HD11 H 1 1.93788 0.03 . 1 . . . A 90 LEU HD11 . 18811 1 755 . 1 1 74 74 LEU HD12 H 1 1.93788 0.03 . 1 . . . A 90 LEU HD12 . 18811 1 756 . 1 1 74 74 LEU HD13 H 1 1.93788 0.03 . 1 . . . A 90 LEU HD13 . 18811 1 757 . 1 1 74 74 LEU HD21 H 1 0.674246 0.03 . 1 . . . A 90 LEU HD21 . 18811 1 758 . 1 1 74 74 LEU HD22 H 1 0.674246 0.03 . 1 . . . A 90 LEU HD22 . 18811 1 759 . 1 1 74 74 LEU HD23 H 1 0.674246 0.03 . 1 . . . A 90 LEU HD23 . 18811 1 760 . 1 1 74 74 LEU CA C 13 57.998418 0.3 . 1 . . . A 90 LEU CA . 18811 1 761 . 1 1 74 74 LEU CB C 13 43.043519 0.3 . 1 . . . A 90 LEU CB . 18811 1 762 . 1 1 74 74 LEU CG C 13 28.450656 0.3 . 1 . . . A 90 LEU CG . 18811 1 763 . 1 1 74 74 LEU CD1 C 13 26.72402 0.3 . 1 . . . A 90 LEU CD1 . 18811 1 764 . 1 1 74 74 LEU CD2 C 13 23.437841 0.3 . 1 . . . A 90 LEU CD2 . 18811 1 765 . 1 1 74 74 LEU N N 15 120.763 0.3 . 1 . . . A 90 LEU N . 18811 1 766 . 1 1 75 75 ILE H H 1 8.848 0.03 . 1 . . . A 91 ILE H . 18811 1 767 . 1 1 75 75 ILE HA H 1 3.692594 0.03 . 1 . . . A 91 ILE HA . 18811 1 768 . 1 1 75 75 ILE HB H 1 2.165454 0.03 . 1 . . . A 91 ILE HB . 18811 1 769 . 1 1 75 75 ILE HG12 H 1 1.54262 0.03 . 1 . . . A 91 ILE HG12 . 18811 1 770 . 1 1 75 75 ILE HG13 H 1 1.410866 0.03 . 1 . . . A 91 ILE HG13 . 18811 1 771 . 1 1 75 75 ILE HG21 H 1 0.865887 0.03 . 1 . . . A 91 ILE HG21 . 18811 1 772 . 1 1 75 75 ILE HG22 H 1 0.865887 0.03 . 1 . . . A 91 ILE HG22 . 18811 1 773 . 1 1 75 75 ILE HG23 H 1 0.865887 0.03 . 1 . . . A 91 ILE HG23 . 18811 1 774 . 1 1 75 75 ILE HD11 H 1 0.716167 0.03 . 1 . . . A 91 ILE HD11 . 18811 1 775 . 1 1 75 75 ILE HD12 H 1 0.716167 0.03 . 1 . . . A 91 ILE HD12 . 18811 1 776 . 1 1 75 75 ILE HD13 H 1 0.716167 0.03 . 1 . . . A 91 ILE HD13 . 18811 1 777 . 1 1 75 75 ILE CA C 13 63.484666 0.3 . 1 . . . A 91 ILE CA . 18811 1 778 . 1 1 75 75 ILE CB C 13 36.387614 0.3 . 1 . . . A 91 ILE CB . 18811 1 779 . 1 1 75 75 ILE CG1 C 13 28.088619 0.3 . 1 . . . A 91 ILE CG1 . 18811 1 780 . 1 1 75 75 ILE CG2 C 13 16.39205 0.3 . 1 . . . A 91 ILE CG2 . 18811 1 781 . 1 1 75 75 ILE CD1 C 13 11.936214 0.3 . 1 . . . A 91 ILE CD1 . 18811 1 782 . 1 1 75 75 ILE N N 15 119.966 0.3 . 1 . . . A 91 ILE N . 18811 1 783 . 1 1 76 76 HIS H H 1 8.449 0.03 . 1 . . . A 92 HIS H . 18811 1 784 . 1 1 76 76 HIS HA H 1 4.177686 0.03 . 1 . . . A 92 HIS HA . 18811 1 785 . 1 1 76 76 HIS HB2 H 1 3.12366 0.03 . 1 . . . A 92 HIS HB2 . 18811 1 786 . 1 1 76 76 HIS HB3 H 1 3.12366 0.03 . 1 . . . A 92 HIS HB3 . 18811 1 787 . 1 1 76 76 HIS HD2 H 1 6.165964 0.03 . 1 . . . A 92 HIS HD2 . 18811 1 788 . 1 1 76 76 HIS HE1 H 1 7.76497 0.03 . 1 . . . A 92 HIS HE1 . 18811 1 789 . 1 1 76 76 HIS CA C 13 61.618785 0.3 . 1 . . . A 92 HIS CA . 18811 1 790 . 1 1 76 76 HIS CB C 13 31.179856 0.3 . 1 . . . A 92 HIS CB . 18811 1 791 . 1 1 76 76 HIS CD2 C 13 115.116665 0.3 . 1 . . . A 92 HIS CD2 . 18811 1 792 . 1 1 76 76 HIS CE1 C 13 140.904816 0.3 . 1 . . . A 92 HIS CE1 . 18811 1 793 . 1 1 76 76 HIS N N 15 122.35 0.3 . 1 . . . A 92 HIS N . 18811 1 794 . 1 1 77 77 ILE H H 1 8.027 0.03 . 1 . . . A 93 ILE H . 18811 1 795 . 1 1 77 77 ILE HA H 1 3.435077 0.03 . 1 . . . A 93 ILE HA . 18811 1 796 . 1 1 77 77 ILE HB H 1 1.746239 0.03 . 1 . . . A 93 ILE HB . 18811 1 797 . 1 1 77 77 ILE HG12 H 1 2.087599 0.03 . 1 . . . A 93 ILE HG12 . 18811 1 798 . 1 1 77 77 ILE HG13 H 1 0.919786 0.03 . 1 . . . A 93 ILE HG13 . 18811 1 799 . 1 1 77 77 ILE HG21 H 1 0.805999 0.03 . 1 . . . A 93 ILE HG21 . 18811 1 800 . 1 1 77 77 ILE HG22 H 1 0.805999 0.03 . 1 . . . A 93 ILE HG22 . 18811 1 801 . 1 1 77 77 ILE HG23 H 1 0.805999 0.03 . 1 . . . A 93 ILE HG23 . 18811 1 802 . 1 1 77 77 ILE HD11 H 1 0.967696 0.03 . 1 . . . A 93 ILE HD11 . 18811 1 803 . 1 1 77 77 ILE HD12 H 1 0.967696 0.03 . 1 . . . A 93 ILE HD12 . 18811 1 804 . 1 1 77 77 ILE HD13 H 1 0.967696 0.03 . 1 . . . A 93 ILE HD13 . 18811 1 805 . 1 1 77 77 ILE CA C 13 65.434094 0.3 . 1 . . . A 93 ILE CA . 18811 1 806 . 1 1 77 77 ILE CB C 13 39.47885 0.3 . 1 . . . A 93 ILE CB . 18811 1 807 . 1 1 77 77 ILE CG1 C 13 28.979787 0.3 . 1 . . . A 93 ILE CG1 . 18811 1 808 . 1 1 77 77 ILE CG2 C 13 20.318756 0.3 . 1 . . . A 93 ILE CG2 . 18811 1 809 . 1 1 77 77 ILE CD1 C 13 14.916054 0.3 . 1 . . . A 93 ILE CD1 . 18811 1 810 . 1 1 77 77 ILE N N 15 116.982 0.3 . 1 . . . A 93 ILE N . 18811 1 811 . 1 1 78 78 LEU H H 1 8.730952 0.03 . 1 . . . A 94 LEU H . 18811 1 812 . 1 1 78 78 LEU HA H 1 3.908191 0.03 . 1 . . . A 94 LEU HA . 18811 1 813 . 1 1 78 78 LEU HB2 H 1 1.806126 0.03 . 1 . . . A 94 LEU HB2 . 18811 1 814 . 1 1 78 78 LEU HB3 H 1 1.578553 0.03 . 1 . . . A 94 LEU HB3 . 18811 1 815 . 1 1 78 78 LEU HG H 1 1.59053 0.03 . 1 . . . A 94 LEU HG . 18811 1 816 . 1 1 78 78 LEU HD11 H 1 0.782044 0.03 . 1 . . . A 94 LEU HD11 . 18811 1 817 . 1 1 78 78 LEU HD12 H 1 0.782044 0.03 . 1 . . . A 94 LEU HD12 . 18811 1 818 . 1 1 78 78 LEU HD13 H 1 0.782044 0.03 . 1 . . . A 94 LEU HD13 . 18811 1 819 . 1 1 78 78 LEU HD21 H 1 0.865887 0.03 . 1 . . . A 94 LEU HD21 . 18811 1 820 . 1 1 78 78 LEU HD22 H 1 0.865887 0.03 . 1 . . . A 94 LEU HD22 . 18811 1 821 . 1 1 78 78 LEU HD23 H 1 0.865887 0.03 . 1 . . . A 94 LEU HD23 . 18811 1 822 . 1 1 78 78 LEU CA C 13 58.109814 0.3 . 1 . . . A 94 LEU CA . 18811 1 823 . 1 1 78 78 LEU CB C 13 42.73718 0.3 . 1 . . . A 94 LEU CB . 18811 1 824 . 1 1 78 78 LEU CG C 13 28.06077 0.3 . 1 . . . A 94 LEU CG . 18811 1 825 . 1 1 78 78 LEU CD1 C 13 26.250587 0.3 . 1 . . . A 94 LEU CD1 . 18811 1 826 . 1 1 78 78 LEU CD2 C 13 25.08093 0.3 . 1 . . . A 94 LEU CD2 . 18811 1 827 . 1 1 78 78 LEU N N 15 121.957921 0.3 . 1 . . . A 94 LEU N . 18811 1 828 . 1 1 79 79 SER H H 1 8.324 0.03 . 1 . . . A 95 SER H . 18811 1 829 . 1 1 79 79 SER HA H 1 4.351361 0.03 . 1 . . . A 95 SER HA . 18811 1 830 . 1 1 79 79 SER HB2 H 1 3.920168 0.03 . 1 . . . A 95 SER HB2 . 18811 1 831 . 1 1 79 79 SER HB3 H 1 3.920168 0.03 . 1 . . . A 95 SER HB3 . 18811 1 832 . 1 1 79 79 SER CA C 13 62.147915 0.3 . 1 . . . A 95 SER CA . 18811 1 833 . 1 1 79 79 SER CB C 13 63.484666 0.3 . 1 . . . A 95 SER CB . 18811 1 834 . 1 1 79 79 SER N N 15 116.1 0.3 . 1 . . . A 95 SER N . 18811 1 835 . 1 1 80 80 SER H H 1 7.14819 0.03 . 1 . . . A 96 SER H . 18811 1 836 . 1 1 80 80 SER HA H 1 4.776565 0.03 . 1 . . . A 96 SER HA . 18811 1 837 . 1 1 80 80 SER HB2 H 1 3.950112 0.03 . 1 . . . A 96 SER HB2 . 18811 1 838 . 1 1 80 80 SER HB3 H 1 3.459032 0.03 . 1 . . . A 96 SER HB3 . 18811 1 839 . 1 1 80 80 SER CA C 13 57.41359 0.3 . 1 . . . A 96 SER CA . 18811 1 840 . 1 1 80 80 SER CB C 13 64.431531 0.3 . 1 . . . A 96 SER CB . 18811 1 841 . 1 1 80 80 SER N N 15 115.636873 0.3 . 1 . . . A 96 SER N . 18811 1 842 . 1 1 81 81 SER H H 1 7.22 0.03 . 1 . . . A 97 SER H . 18811 1 843 . 1 1 81 81 SER HA H 1 5.016116 0.03 . 1 . . . A 97 SER HA . 18811 1 844 . 1 1 81 81 SER HB2 H 1 3.626718 0.03 . 1 . . . A 97 SER HB2 . 18811 1 845 . 1 1 81 81 SER HB3 H 1 3.626718 0.03 . 1 . . . A 97 SER HB3 . 18811 1 846 . 1 1 81 81 SER CA C 13 58.555398 0.3 . 1 . . . A 97 SER CA . 18811 1 847 . 1 1 81 81 SER CB C 13 65.517641 0.3 . 1 . . . A 97 SER CB . 18811 1 848 . 1 1 81 81 SER N N 15 114.673 0.3 . 1 . . . A 97 SER N . 18811 1 849 . 1 1 82 82 SER H H 1 8.509 0.03 . 1 . . . A 98 SER H . 18811 1 850 . 1 1 82 82 SER HA H 1 4.812498 0.03 . 1 . . . A 98 SER HA . 18811 1 851 . 1 1 82 82 SER HB2 H 1 3.788415 0.03 . 1 . . . A 98 SER HB2 . 18811 1 852 . 1 1 82 82 SER HB3 H 1 3.788415 0.03 . 1 . . . A 98 SER HB3 . 18811 1 853 . 1 1 82 82 SER CA C 13 56.605969 0.3 . 1 . . . A 98 SER CA . 18811 1 854 . 1 1 82 82 SER CB C 13 63.985948 0.3 . 1 . . . A 98 SER CB . 18811 1 855 . 1 1 82 82 SER N N 15 117.029174 0.3 . 1 . . . A 98 SER N . 18811 1 856 . 1 1 83 83 VAL H H 1 8.816 0.03 . 1 . . . A 99 VAL H . 18811 1 857 . 1 1 83 83 VAL HA H 1 4.027967 0.03 . 1 . . . A 99 VAL HA . 18811 1 858 . 1 1 83 83 VAL HB H 1 1.782171 0.03 . 1 . . . A 99 VAL HB . 18811 1 859 . 1 1 83 83 VAL HG11 H 1 0.88385 0.03 . 1 . . . A 99 VAL HG11 . 18811 1 860 . 1 1 83 83 VAL HG12 H 1 0.88385 0.03 . 1 . . . A 99 VAL HG12 . 18811 1 861 . 1 1 83 83 VAL HG13 H 1 0.88385 0.03 . 1 . . . A 99 VAL HG13 . 18811 1 862 . 1 1 83 83 VAL HG21 H 1 0.758089 0.03 . 1 . . . A 99 VAL HG21 . 18811 1 863 . 1 1 83 83 VAL HG22 H 1 0.758089 0.03 . 1 . . . A 99 VAL HG22 . 18811 1 864 . 1 1 83 83 VAL HG23 H 1 0.758089 0.03 . 1 . . . A 99 VAL HG23 . 18811 1 865 . 1 1 83 83 VAL CA C 13 63.484666 0.3 . 1 . . . A 99 VAL CA . 18811 1 866 . 1 1 83 83 VAL CB C 13 32.043174 0.3 . 1 . . . A 99 VAL CB . 18811 1 867 . 1 1 83 83 VAL CG1 C 13 21.7112 0.3 . 1 . . . A 99 VAL CG1 . 18811 1 868 . 1 1 83 83 VAL CG2 C 13 21.265621 0.3 . 1 . . . A 99 VAL CG2 . 18811 1 869 . 1 1 83 83 VAL N N 15 129.587732 0.3 . 1 . . . A 99 VAL N . 18811 1 870 . 1 1 84 84 GLY H H 1 7.721 0.03 . 1 . . . A 100 GLY H . 18811 1 871 . 1 1 84 84 GLY HA2 H 1 3.686606 0.03 . 1 . . . A 100 GLY HA2 . 18811 1 872 . 1 1 84 84 GLY HA3 H 1 4.399271 0.03 . 1 . . . A 100 GLY HA3 . 18811 1 873 . 1 1 84 84 GLY CA C 13 44.575212 0.3 . 1 . . . A 100 GLY CA . 18811 1 874 . 1 1 84 84 GLY N N 15 117.022 0.3 . 1 . . . A 100 GLY N . 18811 1 875 . 1 1 85 85 GLN H H 1 8.307 0.03 . 1 . . . A 101 GLN H . 18811 1 876 . 1 1 85 85 GLN HA H 1 4.243563 0.03 . 1 . . . A 101 GLN HA . 18811 1 877 . 1 1 85 85 GLN HB2 H 1 1.907936 0.03 . 1 . . . A 101 GLN HB2 . 18811 1 878 . 1 1 85 85 GLN HB3 H 1 1.907936 0.03 . 1 . . . A 101 GLN HB3 . 18811 1 879 . 1 1 85 85 GLN HG2 H 1 2.255285 0.03 . 1 . . . A 101 GLN HG2 . 18811 1 880 . 1 1 85 85 GLN HG3 H 1 2.255285 0.03 . 1 . . . A 101 GLN HG3 . 18811 1 881 . 1 1 85 85 GLN HE21 H 1 7.538448 0.03 . 1 . . . A 101 GLN HE21 . 18811 1 882 . 1 1 85 85 GLN CA C 13 55.436313 0.3 . 1 . . . A 101 GLN CA . 18811 1 883 . 1 1 85 85 GLN CB C 13 27.949375 0.3 . 1 . . . A 101 GLN CB . 18811 1 884 . 1 1 85 85 GLN CG C 13 33.936904 0.3 . 1 . . . A 101 GLN CG . 18811 1 885 . 1 1 85 85 GLN N N 15 121.79 0.3 . 1 . . . A 101 GLN N . 18811 1 886 . 1 1 85 85 GLN NE2 N 15 112.625181 0.3 . 1 . . . A 101 GLN NE2 . 18811 1 887 . 1 1 86 86 VAL H H 1 7.934 0.03 . 1 . . . A 102 VAL H . 18811 1 888 . 1 1 86 86 VAL HA H 1 3.512931 0.03 . 1 . . . A 102 VAL HA . 18811 1 889 . 1 1 86 86 VAL HB H 1 1.327023 0.03 . 1 . . . A 102 VAL HB . 18811 1 890 . 1 1 86 86 VAL HG11 H 1 0.674246 0.03 . 1 . . . A 102 VAL HG11 . 18811 1 891 . 1 1 86 86 VAL HG12 H 1 0.674246 0.03 . 1 . . . A 102 VAL HG12 . 18811 1 892 . 1 1 86 86 VAL HG13 H 1 0.674246 0.03 . 1 . . . A 102 VAL HG13 . 18811 1 893 . 1 1 86 86 VAL HG21 H 1 0.087344 0.03 . 1 . . . A 102 VAL HG21 . 18811 1 894 . 1 1 86 86 VAL HG22 H 1 0.087344 0.03 . 1 . . . A 102 VAL HG22 . 18811 1 895 . 1 1 86 86 VAL HG23 H 1 0.087344 0.03 . 1 . . . A 102 VAL HG23 . 18811 1 896 . 1 1 86 86 VAL CA C 13 62.120066 0.3 . 1 . . . A 102 VAL CA . 18811 1 897 . 1 1 86 86 VAL CB C 13 32.767247 0.3 . 1 . . . A 102 VAL CB . 18811 1 898 . 1 1 86 86 VAL CG1 C 13 22.212486 0.3 . 1 . . . A 102 VAL CG1 . 18811 1 899 . 1 1 86 86 VAL CG2 C 13 22.518825 0.3 . 1 . . . A 102 VAL CG2 . 18811 1 900 . 1 1 86 86 VAL N N 15 126.466 0.3 . 1 . . . A 102 VAL N . 18811 1 901 . 1 1 87 87 ASP H H 1 8.504 0.03 . 1 . . . A 103 ASP H . 18811 1 902 . 1 1 87 87 ASP HA H 1 4.7047 0.03 . 1 . . . A 103 ASP HA . 18811 1 903 . 1 1 87 87 ASP HB2 H 1 2.991906 0.03 . 1 . . . A 103 ASP HB2 . 18811 1 904 . 1 1 87 87 ASP HB3 H 1 2.512803 0.03 . 1 . . . A 103 ASP HB3 . 18811 1 905 . 1 1 87 87 ASP CA C 13 52.094436 0.3 . 1 . . . A 103 ASP CA . 18811 1 906 . 1 1 87 87 ASP CB C 13 40.425715 0.3 . 1 . . . A 103 ASP CB . 18811 1 907 . 1 1 87 87 ASP N N 15 125.676 0.3 . 1 . . . A 103 ASP N . 18811 1 908 . 1 1 88 88 PHE H H 1 8.586 0.03 . 1 . . . A 104 PHE H . 18811 1 909 . 1 1 88 88 PHE HA H 1 4.195653 0.03 . 1 . . . A 104 PHE HA . 18811 1 910 . 1 1 88 88 PHE HB2 H 1 3.405133 0.03 . 1 . . . A 104 PHE HB2 . 18811 1 911 . 1 1 88 88 PHE HB3 H 1 2.878119 0.03 . 1 . . . A 104 PHE HB3 . 18811 1 912 . 1 1 88 88 PHE HD1 H 1 7.243945 0.03 . 1 . . . A 104 PHE HD1 . 18811 1 913 . 1 1 88 88 PHE HE1 H 1 7.21999 0.03 . 1 . . . A 104 PHE HE1 . 18811 1 914 . 1 1 88 88 PHE HZ H 1 7.034338 0.03 . 1 . . . A 104 PHE HZ . 18811 1 915 . 1 1 88 88 PHE CA C 13 60.894712 0.3 . 1 . . . A 104 PHE CA . 18811 1 916 . 1 1 88 88 PHE CB C 13 38.225646 0.3 . 1 . . . A 104 PHE CB . 18811 1 917 . 1 1 88 88 PHE CD1 C 13 131.631107 0.3 . 1 . . . A 104 PHE CD1 . 18811 1 918 . 1 1 88 88 PHE CE1 C 13 129.820924 0.3 . 1 . . . A 104 PHE CE1 . 18811 1 919 . 1 1 88 88 PHE CZ C 13 132.605821 0.3 . 1 . . . A 104 PHE CZ . 18811 1 920 . 1 1 88 88 PHE N N 15 125.083 0.3 . 1 . . . A 104 PHE N . 18811 1 921 . 1 1 89 89 SER H H 1 8.697 0.03 . 1 . . . A 105 SER H . 18811 1 922 . 1 1 89 89 SER HA H 1 4.483114 0.03 . 1 . . . A 105 SER HA . 18811 1 923 . 1 1 89 89 SER HB2 H 1 4.027967 0.03 . 1 . . . A 105 SER HB2 . 18811 1 924 . 1 1 89 89 SER HB3 H 1 4.027967 0.03 . 1 . . . A 105 SER HB3 . 18811 1 925 . 1 1 89 89 SER CA C 13 60.616222 0.3 . 1 . . . A 105 SER CA . 18811 1 926 . 1 1 89 89 SER CB C 13 63.958099 0.3 . 1 . . . A 105 SER CB . 18811 1 927 . 1 1 89 89 SER N N 15 115.34 0.3 . 1 . . . A 105 SER N . 18811 1 928 . 1 1 90 90 SER H H 1 7.251 0.03 . 1 . . . A 106 SER H . 18811 1 929 . 1 1 90 90 SER HA H 1 4.868706 0.03 . 1 . . . A 106 SER HA . 18811 1 930 . 1 1 90 90 SER HB2 H 1 4.171697 0.03 . 1 . . . A 106 SER HB2 . 18811 1 931 . 1 1 90 90 SER HB3 H 1 3.794404 0.03 . 1 . . . A 106 SER HB3 . 18811 1 932 . 1 1 90 90 SER CA C 13 57.298271 0.3 . 1 . . . A 106 SER CA . 18811 1 933 . 1 1 90 90 SER CB C 13 63.540364 0.3 . 1 . . . A 106 SER CB . 18811 1 934 . 1 1 90 90 SER N N 15 114.94 0.3 . 1 . . . A 106 SER N . 18811 1 935 . 1 1 91 91 VAL H H 1 7.046 0.03 . 1 . . . A 107 VAL H . 18811 1 936 . 1 1 91 91 VAL HA H 1 3.153604 0.03 . 1 . . . A 107 VAL HA . 18811 1 937 . 1 1 91 91 VAL HB H 1 1.860026 0.03 . 1 . . . A 107 VAL HB . 18811 1 938 . 1 1 91 91 VAL HG11 H 1 0.560459 0.03 . 1 . . . A 107 VAL HG11 . 18811 1 939 . 1 1 91 91 VAL HG12 H 1 0.560459 0.03 . 1 . . . A 107 VAL HG12 . 18811 1 940 . 1 1 91 91 VAL HG13 H 1 0.560459 0.03 . 1 . . . A 107 VAL HG13 . 18811 1 941 . 1 1 91 91 VAL HG21 H 1 0.835943 0.03 . 1 . . . A 107 VAL HG21 . 18811 1 942 . 1 1 91 91 VAL HG22 H 1 0.835943 0.03 . 1 . . . A 107 VAL HG22 . 18811 1 943 . 1 1 91 91 VAL HG23 H 1 0.835943 0.03 . 1 . . . A 107 VAL HG23 . 18811 1 944 . 1 1 91 91 VAL CA C 13 63.512515 0.3 . 1 . . . A 107 VAL CA . 18811 1 945 . 1 1 91 91 VAL CB C 13 31.681137 0.3 . 1 . . . A 107 VAL CB . 18811 1 946 . 1 1 91 91 VAL CG1 C 13 20.875735 0.3 . 1 . . . A 107 VAL CG1 . 18811 1 947 . 1 1 91 91 VAL CG2 C 13 19.399739 0.3 . 1 . . . A 107 VAL CG2 . 18811 1 948 . 1 1 91 91 VAL N N 15 115.164 0.3 . 1 . . . A 107 VAL N . 18811 1 949 . 1 1 92 92 GLY H H 1 8.902 0.03 . 1 . . . A 108 GLY H . 18811 1 950 . 1 1 92 92 GLY HA2 H 1 3.818359 0.03 . 1 . . . A 108 GLY HA2 . 18811 1 951 . 1 1 92 92 GLY HA3 H 1 3.932146 0.03 . 1 . . . A 108 GLY HA3 . 18811 1 952 . 1 1 92 92 GLY CA C 13 46.942375 0.3 . 1 . . . A 108 GLY CA . 18811 1 953 . 1 1 92 92 GLY N N 15 109.872745 0.3 . 1 . . . A 108 GLY N . 18811 1 954 . 1 1 93 93 SER H H 1 8.272 0.03 . 1 . . . A 109 SER H . 18811 1 955 . 1 1 93 93 SER HA H 1 4.381305 0.03 . 1 . . . A 109 SER HA . 18811 1 956 . 1 1 93 93 SER HB2 H 1 4.051922 0.03 . 1 . . . A 109 SER HB2 . 18811 1 957 . 1 1 93 93 SER HB3 H 1 4.051922 0.03 . 1 . . . A 109 SER HB3 . 18811 1 958 . 1 1 93 93 SER CA C 13 61.590936 0.3 . 1 . . . A 109 SER CA . 18811 1 959 . 1 1 93 93 SER CB C 13 62.677046 0.3 . 1 . . . A 109 SER CB . 18811 1 960 . 1 1 93 93 SER N N 15 117.265 0.3 . 1 . . . A 109 SER N . 18811 1 961 . 1 1 94 94 SER H H 1 7.388192 0.03 . 1 . . . A 110 SER H . 18811 1 962 . 1 1 94 94 SER HA H 1 4.345372 0.03 . 1 . . . A 110 SER HA . 18811 1 963 . 1 1 94 94 SER HB2 H 1 4.105821 0.03 . 1 . . . A 110 SER HB2 . 18811 1 964 . 1 1 94 94 SER HB3 H 1 4.105821 0.03 . 1 . . . A 110 SER HB3 . 18811 1 965 . 1 1 94 94 SER CA C 13 62.983385 0.3 . 1 . . . A 110 SER CA . 18811 1 966 . 1 1 94 94 SER CB C 13 62.147915 0.3 . 1 . . . A 110 SER CB . 18811 1 967 . 1 1 94 94 SER N N 15 122.459149 0.3 . 1 . . . A 110 SER N . 18811 1 968 . 1 1 95 95 ALA H H 1 7.955 0.03 . 1 . . . A 111 ALA H . 18811 1 969 . 1 1 95 95 ALA HA H 1 4.30944 0.03 . 1 . . . A 111 ALA HA . 18811 1 970 . 1 1 95 95 ALA HB1 H 1 1.339001 0.03 . 1 . . . A 111 ALA HB1 . 18811 1 971 . 1 1 95 95 ALA HB2 H 1 1.339001 0.03 . 1 . . . A 111 ALA HB2 . 18811 1 972 . 1 1 95 95 ALA HB3 H 1 1.339001 0.03 . 1 . . . A 111 ALA HB3 . 18811 1 973 . 1 1 95 95 ALA CA C 13 54.656541 0.3 . 1 . . . A 111 ALA CA . 18811 1 974 . 1 1 95 95 ALA CB C 13 18.397176 0.3 . 1 . . . A 111 ALA CB . 18811 1 975 . 1 1 95 95 ALA N N 15 124.155 0.3 . 1 . . . A 111 ALA N . 18811 1 976 . 1 1 96 96 ALA H H 1 8.086 0.03 . 1 . . . A 112 ALA H . 18811 1 977 . 1 1 96 96 ALA HA H 1 4.099832 0.03 . 1 . . . A 112 ALA HA . 18811 1 978 . 1 1 96 96 ALA HB1 H 1 1.434822 0.03 . 1 . . . A 112 ALA HB1 . 18811 1 979 . 1 1 96 96 ALA HB2 H 1 1.434822 0.03 . 1 . . . A 112 ALA HB2 . 18811 1 980 . 1 1 96 96 ALA HB3 H 1 1.434822 0.03 . 1 . . . A 112 ALA HB3 . 18811 1 981 . 1 1 96 96 ALA CA C 13 54.879333 0.3 . 1 . . . A 112 ALA CA . 18811 1 982 . 1 1 96 96 ALA CB C 13 18.090838 0.3 . 1 . . . A 112 ALA CB . 18811 1 983 . 1 1 96 96 ALA N N 15 118.477167 0.3 . 1 . . . A 112 ALA N . 18811 1 984 . 1 1 97 97 ALA H H 1 7.465 0.03 . 1 . . . A 113 ALA H . 18811 1 985 . 1 1 97 97 ALA HA H 1 4.177686 0.03 . 1 . . . A 113 ALA HA . 18811 1 986 . 1 1 97 97 ALA HB1 H 1 1.524653 0.03 . 1 . . . A 113 ALA HB1 . 18811 1 987 . 1 1 97 97 ALA HB2 H 1 1.524653 0.03 . 1 . . . A 113 ALA HB2 . 18811 1 988 . 1 1 97 97 ALA HB3 H 1 1.524653 0.03 . 1 . . . A 113 ALA HB3 . 18811 1 989 . 1 1 97 97 ALA CA C 13 55.129974 0.3 . 1 . . . A 113 ALA CA . 18811 1 990 . 1 1 97 97 ALA CB C 13 17.561707 0.3 . 1 . . . A 113 ALA CB . 18811 1 991 . 1 1 97 97 ALA N N 15 120.688 0.3 . 1 . . . A 113 ALA N . 18811 1 992 . 1 1 98 98 VAL H H 1 7.985 0.03 . 1 . . . A 114 VAL H . 18811 1 993 . 1 1 98 98 VAL HA H 1 3.339256 0.03 . 1 . . . A 114 VAL HA . 18811 1 994 . 1 1 98 98 VAL HB H 1 2.267263 0.03 . 1 . . . A 114 VAL HB . 18811 1 995 . 1 1 98 98 VAL HG11 H 1 0.961707 0.03 . 1 . . . A 114 VAL HG11 . 18811 1 996 . 1 1 98 98 VAL HG12 H 1 0.961707 0.03 . 1 . . . A 114 VAL HG12 . 18811 1 997 . 1 1 98 98 VAL HG13 H 1 0.961707 0.03 . 1 . . . A 114 VAL HG13 . 18811 1 998 . 1 1 98 98 VAL HG21 H 1 0.722156 0.03 . 1 . . . A 114 VAL HG21 . 18811 1 999 . 1 1 98 98 VAL HG22 H 1 0.722156 0.03 . 1 . . . A 114 VAL HG22 . 18811 1 1000 . 1 1 98 98 VAL HG23 H 1 0.722156 0.03 . 1 . . . A 114 VAL HG23 . 18811 1 1001 . 1 1 98 98 VAL CA C 13 67.689861 0.3 . 1 . . . A 114 VAL CA . 18811 1 1002 . 1 1 98 98 VAL CB C 13 31.207705 0.3 . 1 . . . A 114 VAL CB . 18811 1 1003 . 1 1 98 98 VAL CG1 C 13 24.663196 0.3 . 1 . . . A 114 VAL CG1 . 18811 1 1004 . 1 1 98 98 VAL CG2 C 13 21.571959 0.3 . 1 . . . A 114 VAL CG2 . 18811 1 1005 . 1 1 98 98 VAL N N 15 121.278 0.3 . 1 . . . A 114 VAL N . 18811 1 1006 . 1 1 99 99 GLY H H 1 8.85 0.03 . 1 . . . A 115 GLY H . 18811 1 1007 . 1 1 99 99 GLY HA2 H 1 3.423099 0.03 . 1 . . . A 115 GLY HA2 . 18811 1 1008 . 1 1 99 99 GLY HA3 H 1 4.11181 0.03 . 1 . . . A 115 GLY HA3 . 18811 1 1009 . 1 1 99 99 GLY CA C 13 47.722147 0.3 . 1 . . . A 115 GLY CA . 18811 1 1010 . 1 1 99 99 GLY N N 15 107.544 0.3 . 1 . . . A 115 GLY N . 18811 1 1011 . 1 1 100 100 GLN H H 1 8.502 0.03 . 1 . . . A 116 GLN H . 18811 1 1012 . 1 1 100 100 GLN HA H 1 4.069888 0.03 . 1 . . . A 116 GLN HA . 18811 1 1013 . 1 1 100 100 GLN HB2 H 1 2.123532 0.03 . 1 . . . A 116 GLN HB2 . 18811 1 1014 . 1 1 100 100 GLN HB3 H 1 2.123532 0.03 . 1 . . . A 116 GLN HB3 . 18811 1 1015 . 1 1 100 100 GLN HG2 H 1 2.416983 0.03 . 1 . . . A 116 GLN HG2 . 18811 1 1016 . 1 1 100 100 GLN HG3 H 1 2.416983 0.03 . 1 . . . A 116 GLN HG3 . 18811 1 1017 . 1 1 100 100 GLN HE21 H 1 6.769812 0.03 . 1 . . . A 116 GLN HE21 . 18811 1 1018 . 1 1 100 100 GLN HE22 H 1 7.396035 0.03 . 1 . . . A 116 GLN HE22 . 18811 1 1019 . 1 1 100 100 GLN CA C 13 58.666794 0.3 . 1 . . . A 116 GLN CA . 18811 1 1020 . 1 1 100 100 GLN CB C 13 28.450656 0.3 . 1 . . . A 116 GLN CB . 18811 1 1021 . 1 1 100 100 GLN CG C 13 34.187545 0.3 . 1 . . . A 116 GLN CG . 18811 1 1022 . 1 1 100 100 GLN N N 15 119.287 0.3 . 1 . . . A 116 GLN N . 18811 1 1023 . 1 1 100 100 GLN NE2 N 15 111.23288 0.3 . 1 . . . A 116 GLN NE2 . 18811 1 1024 . 1 1 101 101 SER H H 1 7.851 0.03 . 1 . . . A 117 SER H . 18811 1 1025 . 1 1 101 101 SER HA H 1 4.129306 0.03 . 1 . . . A 117 SER HA . 18811 1 1026 . 1 1 101 101 SER HB2 H 1 3.93215 0.03 . 1 . . . A 117 SER HB2 . 18811 1 1027 . 1 1 101 101 SER HB3 H 1 3.93215 0.03 . 1 . . . A 117 SER HB3 . 18811 1 1028 . 1 1 101 101 SER CA C 13 63.106612 0.3 . 1 . . . A 117 SER CA . 18811 1 1029 . 1 1 101 101 SER CB C 13 63.20618 0.3 . 1 . . . A 117 SER CB . 18811 1 1030 . 1 1 101 101 SER N N 15 116.633 0.3 . 1 . . . A 117 SER N . 18811 1 1031 . 1 1 102 102 MET H H 1 7.535645 0.03 . 1 . . . A 118 MET H . 18811 1 1032 . 1 1 102 102 MET HA H 1 4.363339 0.03 . 1 . . . A 118 MET HA . 18811 1 1033 . 1 1 102 102 MET HB2 H 1 2.572691 0.03 . 1 . . . A 118 MET HB2 . 18811 1 1034 . 1 1 102 102 MET HB3 H 1 2.405005 0.03 . 1 . . . A 118 MET HB3 . 18811 1 1035 . 1 1 102 102 MET HG2 H 1 2.105566 0.03 . 1 . . . A 118 MET HG2 . 18811 1 1036 . 1 1 102 102 MET HG3 H 1 1.83607 0.03 . 1 . . . A 118 MET HG3 . 18811 1 1037 . 1 1 102 102 MET HE1 H 1 1.782171 0.03 . 1 . . . A 118 MET HE1 . 18811 1 1038 . 1 1 102 102 MET HE2 H 1 1.782171 0.03 . 1 . . . A 118 MET HE2 . 18811 1 1039 . 1 1 102 102 MET HE3 H 1 1.782171 0.03 . 1 . . . A 118 MET HE3 . 18811 1 1040 . 1 1 102 102 MET CA C 13 55.102125 0.3 . 1 . . . A 118 MET CA . 18811 1 1041 . 1 1 102 102 MET CB C 13 32.321664 0.3 . 1 . . . A 118 MET CB . 18811 1 1042 . 1 1 102 102 MET CG C 13 30.957064 0.3 . 1 . . . A 118 MET CG . 18811 1 1043 . 1 1 102 102 MET CE C 13 16.419899 0.3 . 1 . . . A 118 MET CE . 18811 1 1044 . 1 1 102 102 MET N N 15 115.943179 0.3 . 1 . . . A 118 MET N . 18811 1 1045 . 1 1 103 103 GLN H H 1 7.535 0.03 . 1 . . . A 119 GLN H . 18811 1 1046 . 1 1 103 103 GLN HA H 1 3.824348 0.03 . 1 . . . A 119 GLN HA . 18811 1 1047 . 1 1 103 103 GLN HB2 H 1 2.081611 0.03 . 1 . . . A 119 GLN HB2 . 18811 1 1048 . 1 1 103 103 GLN HB3 H 1 2.081611 0.03 . 1 . . . A 119 GLN HB3 . 18811 1 1049 . 1 1 103 103 GLN HG2 H 1 2.512803 0.03 . 1 . . . A 119 GLN HG2 . 18811 1 1050 . 1 1 103 103 GLN HG3 H 1 2.512803 0.03 . 1 . . . A 119 GLN HG3 . 18811 1 1051 . 1 1 103 103 GLN HE21 H 1 7.318837 0.03 . 1 . . . A 119 GLN HE21 . 18811 1 1052 . 1 1 103 103 GLN HE22 H 1 6.47177 0.03 . 1 . . . A 119 GLN HE22 . 18811 1 1053 . 1 1 103 103 GLN CA C 13 58.081965 0.3 . 1 . . . A 119 GLN CA . 18811 1 1054 . 1 1 103 103 GLN CB C 13 27.893677 0.3 . 1 . . . A 119 GLN CB . 18811 1 1055 . 1 1 103 103 GLN CG C 13 33.936904 0.3 . 1 . . . A 119 GLN CG . 18811 1 1056 . 1 1 103 103 GLN N N 15 115.309 0.3 . 1 . . . A 119 GLN N . 18811 1 1057 . 1 1 103 103 GLN NE2 N 15 110.954419 0.3 . 1 . . . A 119 GLN NE2 . 18811 1 1058 . 1 1 104 104 VAL H H 1 7.434 0.03 . 1 . . . A 120 VAL H . 18811 1 1059 . 1 1 104 104 VAL HA H 1 4.004011 0.03 . 1 . . . A 120 VAL HA . 18811 1 1060 . 1 1 104 104 VAL HB H 1 2.255285 0.03 . 1 . . . A 120 VAL HB . 18811 1 1061 . 1 1 104 104 VAL HG11 H 1 1.027584 0.03 . 1 . . . A 120 VAL HG11 . 18811 1 1062 . 1 1 104 104 VAL HG12 H 1 1.027584 0.03 . 1 . . . A 120 VAL HG12 . 18811 1 1063 . 1 1 104 104 VAL HG13 H 1 1.027584 0.03 . 1 . . . A 120 VAL HG13 . 18811 1 1064 . 1 1 104 104 VAL HG21 H 1 1.039562 0.03 . 1 . . . A 120 VAL HG21 . 18811 1 1065 . 1 1 104 104 VAL HG22 H 1 1.039562 0.03 . 1 . . . A 120 VAL HG22 . 18811 1 1066 . 1 1 104 104 VAL HG23 H 1 1.039562 0.03 . 1 . . . A 120 VAL HG23 . 18811 1 1067 . 1 1 104 104 VAL CA C 13 64.347984 0.3 . 1 . . . A 120 VAL CA . 18811 1 1068 . 1 1 104 104 VAL CB C 13 31.820382 0.3 . 1 . . . A 120 VAL CB . 18811 1 1069 . 1 1 104 104 VAL CG1 C 13 21.209923 0.3 . 1 . . . A 120 VAL CG1 . 18811 1 1070 . 1 1 104 104 VAL CG2 C 13 20.290907 0.3 . 1 . . . A 120 VAL CG2 . 18811 1 1071 . 1 1 104 104 VAL N N 15 114.558 0.3 . 1 . . . A 120 VAL N . 18811 1 1072 . 1 1 105 105 VAL H H 1 7.097 0.03 . 1 . . . A 121 VAL H . 18811 1 1073 . 1 1 105 105 VAL HA H 1 3.920168 0.03 . 1 . . . A 121 VAL HA . 18811 1 1074 . 1 1 105 105 VAL HB H 1 1.722283 0.03 . 1 . . . A 121 VAL HB . 18811 1 1075 . 1 1 105 105 VAL HG11 H 1 0.440683 0.03 . 1 . . . A 121 VAL HG11 . 18811 1 1076 . 1 1 105 105 VAL HG12 H 1 0.440683 0.03 . 1 . . . A 121 VAL HG12 . 18811 1 1077 . 1 1 105 105 VAL HG13 H 1 0.440683 0.03 . 1 . . . A 121 VAL HG13 . 18811 1 1078 . 1 1 105 105 VAL HG21 H 1 0.692212 0.03 . 1 . . . A 121 VAL HG21 . 18811 1 1079 . 1 1 105 105 VAL HG22 H 1 0.692212 0.03 . 1 . . . A 121 VAL HG22 . 18811 1 1080 . 1 1 105 105 VAL HG23 H 1 0.692212 0.03 . 1 . . . A 121 VAL HG23 . 18811 1 1081 . 1 1 105 105 VAL CA C 13 62.760593 0.3 . 1 . . . A 121 VAL CA . 18811 1 1082 . 1 1 105 105 VAL CB C 13 31.207705 0.3 . 1 . . . A 121 VAL CB . 18811 1 1083 . 1 1 105 105 VAL CG1 C 13 21.989694 0.3 . 1 . . . A 121 VAL CG1 . 18811 1 1084 . 1 1 105 105 VAL CG2 C 13 20.569396 0.3 . 1 . . . A 121 VAL CG2 . 18811 1 1085 . 1 1 105 105 VAL N N 15 114.479 0.3 . 1 . . . A 121 VAL N . 18811 1 1086 . 1 1 106 106 MET H H 1 7.422 0.03 . 1 . . . A 122 MET H . 18811 1 1087 . 1 1 106 106 MET HA H 1 4.333395 0.03 . 1 . . . A 122 MET HA . 18811 1 1088 . 1 1 106 106 MET HB2 H 1 2.410994 0.03 . 1 . . . A 122 MET HB2 . 18811 1 1089 . 1 1 106 106 MET HB3 H 1 2.410994 0.03 . 1 . . . A 122 MET HB3 . 18811 1 1090 . 1 1 106 106 MET HG2 H 1 2.015734 0.03 . 1 . . . A 122 MET HG2 . 18811 1 1091 . 1 1 106 106 MET HG3 H 1 2.015734 0.03 . 1 . . . A 122 MET HG3 . 18811 1 1092 . 1 1 106 106 MET HE1 H 1 1.883981 0.03 . 1 . . . A 122 MET HE1 . 18811 1 1093 . 1 1 106 106 MET HE2 H 1 1.883981 0.03 . 1 . . . A 122 MET HE2 . 18811 1 1094 . 1 1 106 106 MET HE3 H 1 1.883981 0.03 . 1 . . . A 122 MET HE3 . 18811 1 1095 . 1 1 106 106 MET CA C 13 55.686953 0.3 . 1 . . . A 122 MET CA . 18811 1 1096 . 1 1 106 106 MET CB C 13 32.405211 0.3 . 1 . . . A 122 MET CB . 18811 1 1097 . 1 1 106 106 MET CG C 13 33.157133 0.3 . 1 . . . A 122 MET CG . 18811 1 1098 . 1 1 106 106 MET CE C 13 17.032577 0.3 . 1 . . . A 122 MET CE . 18811 1 1099 . 1 1 106 106 MET N N 15 117.852 0.3 . 1 . . . A 122 MET N . 18811 1 1100 . 1 1 107 107 GLY H H 1 7.622 0.03 . 1 . . . A 123 GLY H . 18811 1 1101 . 1 1 107 107 GLY HA3 H 1 3.722538 0.03 . 1 . . . A 123 GLY HA3 . 18811 1 1102 . 1 1 107 107 GLY CA C 13 46.246151 0.3 . 1 . . . A 123 GLY CA . 18811 1 1103 . 1 1 107 107 GLY N N 15 113.882573 0.3 . 1 . . . A 123 GLY N . 18811 1 stop_ save_