data_10146 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10146 _Entry.Title ; Solution structure of the 21th filamin domain from human Filamin-B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-04 _Entry.Accession_date 2007-12-05 _Entry.Last_release_date 2008-12-10 _Entry.Original_release_date 2008-12-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 T. Tomizawa . . . 10146 2 S. Koshiba . . . 10146 3 S. Watanabe . . . 10146 4 T. Harada . . . 10146 5 T. Kigawa . . . 10146 6 S. Yokoyama . . . 10146 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10146 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 397 10146 '15N chemical shifts' 92 10146 '1H chemical shifts' 629 10146 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 . . 2008-12-10 2007-12-04 original author . 10146 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EE6 'BMRB Entry Tracking System' 10146 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10146 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the 21th filamin domain from human Filamin-B' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Tomizawa . . . 10146 1 2 S. Koshiba . . . 10146 1 3 S. Watanabe . . . 10146 1 4 T. Harada . . . 10146 1 5 T. Kigawa . . . 10146 1 6 S. Yokoyama . . . 10146 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10146 _Assembly.ID 1 _Assembly.Name Filamin-B _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Filamin-B 1 $entity_1 . . yes native no no . . . 10146 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2EE6 . . . . . . 10146 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10146 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'filamin domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGEGGAHKVRAGGPG LERGEAGVPAEFSIWTREAG AGGLSIAVEGPSKAEITFDD HKNGSCGVSYIAQEPGNYEV SIKFNDEHIPESPYLVPVIA PSDDA ; _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2EE6 . "Solution Structure Of The 21th Filamin Domain From Human Filamin-B" . . . . . 100.00 105 100.00 100.00 9.49e-67 . . . . 10146 1 2 no REF XP_006751735 . "PREDICTED: filamin-B-like, partial [Leptonychotes weddellii]" . . . . . 97.14 263 98.04 98.04 8.07e-63 . . . . 10146 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'filamin domain' . 10146 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10146 1 2 . SER . 10146 1 3 . SER . 10146 1 4 . GLY . 10146 1 5 . SER . 10146 1 6 . SER . 10146 1 7 . GLY . 10146 1 8 . GLU . 10146 1 9 . GLY . 10146 1 10 . GLY . 10146 1 11 . ALA . 10146 1 12 . HIS . 10146 1 13 . LYS . 10146 1 14 . VAL . 10146 1 15 . ARG . 10146 1 16 . ALA . 10146 1 17 . GLY . 10146 1 18 . GLY . 10146 1 19 . PRO . 10146 1 20 . GLY . 10146 1 21 . LEU . 10146 1 22 . GLU . 10146 1 23 . ARG . 10146 1 24 . GLY . 10146 1 25 . GLU . 10146 1 26 . ALA . 10146 1 27 . GLY . 10146 1 28 . VAL . 10146 1 29 . PRO . 10146 1 30 . ALA . 10146 1 31 . GLU . 10146 1 32 . PHE . 10146 1 33 . SER . 10146 1 34 . ILE . 10146 1 35 . TRP . 10146 1 36 . THR . 10146 1 37 . ARG . 10146 1 38 . GLU . 10146 1 39 . ALA . 10146 1 40 . GLY . 10146 1 41 . ALA . 10146 1 42 . GLY . 10146 1 43 . GLY . 10146 1 44 . LEU . 10146 1 45 . SER . 10146 1 46 . ILE . 10146 1 47 . ALA . 10146 1 48 . VAL . 10146 1 49 . GLU . 10146 1 50 . GLY . 10146 1 51 . PRO . 10146 1 52 . SER . 10146 1 53 . LYS . 10146 1 54 . ALA . 10146 1 55 . GLU . 10146 1 56 . ILE . 10146 1 57 . THR . 10146 1 58 . PHE . 10146 1 59 . ASP . 10146 1 60 . ASP . 10146 1 61 . HIS . 10146 1 62 . LYS . 10146 1 63 . ASN . 10146 1 64 . GLY . 10146 1 65 . SER . 10146 1 66 . CYS . 10146 1 67 . GLY . 10146 1 68 . VAL . 10146 1 69 . SER . 10146 1 70 . TYR . 10146 1 71 . ILE . 10146 1 72 . ALA . 10146 1 73 . GLN . 10146 1 74 . GLU . 10146 1 75 . PRO . 10146 1 76 . GLY . 10146 1 77 . ASN . 10146 1 78 . TYR . 10146 1 79 . GLU . 10146 1 80 . VAL . 10146 1 81 . SER . 10146 1 82 . ILE . 10146 1 83 . LYS . 10146 1 84 . PHE . 10146 1 85 . ASN . 10146 1 86 . ASP . 10146 1 87 . GLU . 10146 1 88 . HIS . 10146 1 89 . ILE . 10146 1 90 . PRO . 10146 1 91 . GLU . 10146 1 92 . SER . 10146 1 93 . PRO . 10146 1 94 . TYR . 10146 1 95 . LEU . 10146 1 96 . VAL . 10146 1 97 . PRO . 10146 1 98 . VAL . 10146 1 99 . ILE . 10146 1 100 . ALA . 10146 1 101 . PRO . 10146 1 102 . SER . 10146 1 103 . ASP . 10146 1 104 . ASP . 10146 1 105 . ALA . 10146 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10146 1 . SER 2 2 10146 1 . SER 3 3 10146 1 . GLY 4 4 10146 1 . SER 5 5 10146 1 . SER 6 6 10146 1 . GLY 7 7 10146 1 . GLU 8 8 10146 1 . GLY 9 9 10146 1 . GLY 10 10 10146 1 . ALA 11 11 10146 1 . HIS 12 12 10146 1 . LYS 13 13 10146 1 . VAL 14 14 10146 1 . ARG 15 15 10146 1 . ALA 16 16 10146 1 . GLY 17 17 10146 1 . GLY 18 18 10146 1 . PRO 19 19 10146 1 . GLY 20 20 10146 1 . LEU 21 21 10146 1 . GLU 22 22 10146 1 . ARG 23 23 10146 1 . GLY 24 24 10146 1 . GLU 25 25 10146 1 . ALA 26 26 10146 1 . GLY 27 27 10146 1 . VAL 28 28 10146 1 . PRO 29 29 10146 1 . ALA 30 30 10146 1 . GLU 31 31 10146 1 . PHE 32 32 10146 1 . SER 33 33 10146 1 . ILE 34 34 10146 1 . TRP 35 35 10146 1 . THR 36 36 10146 1 . ARG 37 37 10146 1 . GLU 38 38 10146 1 . ALA 39 39 10146 1 . GLY 40 40 10146 1 . ALA 41 41 10146 1 . GLY 42 42 10146 1 . GLY 43 43 10146 1 . LEU 44 44 10146 1 . SER 45 45 10146 1 . ILE 46 46 10146 1 . ALA 47 47 10146 1 . VAL 48 48 10146 1 . GLU 49 49 10146 1 . GLY 50 50 10146 1 . PRO 51 51 10146 1 . SER 52 52 10146 1 . LYS 53 53 10146 1 . ALA 54 54 10146 1 . GLU 55 55 10146 1 . ILE 56 56 10146 1 . THR 57 57 10146 1 . PHE 58 58 10146 1 . ASP 59 59 10146 1 . ASP 60 60 10146 1 . HIS 61 61 10146 1 . LYS 62 62 10146 1 . ASN 63 63 10146 1 . GLY 64 64 10146 1 . SER 65 65 10146 1 . CYS 66 66 10146 1 . GLY 67 67 10146 1 . VAL 68 68 10146 1 . SER 69 69 10146 1 . TYR 70 70 10146 1 . ILE 71 71 10146 1 . ALA 72 72 10146 1 . GLN 73 73 10146 1 . GLU 74 74 10146 1 . PRO 75 75 10146 1 . GLY 76 76 10146 1 . ASN 77 77 10146 1 . TYR 78 78 10146 1 . GLU 79 79 10146 1 . VAL 80 80 10146 1 . SER 81 81 10146 1 . ILE 82 82 10146 1 . LYS 83 83 10146 1 . PHE 84 84 10146 1 . ASN 85 85 10146 1 . ASP 86 86 10146 1 . GLU 87 87 10146 1 . HIS 88 88 10146 1 . ILE 89 89 10146 1 . PRO 90 90 10146 1 . GLU 91 91 10146 1 . SER 92 92 10146 1 . PRO 93 93 10146 1 . TYR 94 94 10146 1 . LEU 95 95 10146 1 . VAL 96 96 10146 1 . PRO 97 97 10146 1 . VAL 98 98 10146 1 . ILE 99 99 10146 1 . ALA 100 100 10146 1 . PRO 101 101 10146 1 . SER 102 102 10146 1 . ASP 103 103 10146 1 . ASP 104 104 10146 1 . ALA 105 105 10146 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 10146 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10146 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 10146 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P060508-07 . . . . . . 10146 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10146 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'filamin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.15 . . mM . . . . 10146 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10146 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10146 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10146 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10146 1 6 H2O . . . . . . solvent 90 . . % . . . . 10146 1 7 D2O . . . . . . solvent 10 . . % . . . . 10146 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10146 _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' 120 0.1 mM 10146 1 pH 7.0 0.05 pH 10146 1 pressure 1 0.001 atm 10146 1 temperature 296 0.1 K 10146 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10146 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10146 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10146 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10146 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060524 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F' . . 10146 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10146 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10146 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10146 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10146 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10146 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9823 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10146 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10146 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10146 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert, P.' . . 10146 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10146 5 'structure solution' 10146 5 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 10146 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 10146 _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 II' . 900 . . . 10146 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 10146 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10146 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10146 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10146 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10146 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10146 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10146 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10146 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10146 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10146 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 7 7 GLY N N 15 110.767 0.300 . 1 . . . . 7 GLY N . 10146 1 2 . 1 1 7 7 GLY H H 1 8.421 0.030 . 1 . . . . 7 GLY H . 10146 1 3 . 1 1 7 7 GLY CA C 13 45.393 0.300 . 1 . . . . 7 GLY CA . 10146 1 4 . 1 1 7 7 GLY HA2 H 1 4.003 0.030 . 1 . . . . 7 GLY HA2 . 10146 1 5 . 1 1 7 7 GLY HA3 H 1 4.003 0.030 . 1 . . . . 7 GLY HA3 . 10146 1 6 . 1 1 7 7 GLY C C 13 174.160 0.300 . 1 . . . . 7 GLY C . 10146 1 7 . 1 1 8 8 GLU N N 15 120.419 0.300 . 1 . . . . 8 GLU N . 10146 1 8 . 1 1 8 8 GLU H H 1 8.320 0.030 . 1 . . . . 8 GLU H . 10146 1 9 . 1 1 8 8 GLU CA C 13 56.499 0.300 . 1 . . . . 8 GLU CA . 10146 1 10 . 1 1 8 8 GLU HA H 1 4.390 0.030 . 1 . . . . 8 GLU HA . 10146 1 11 . 1 1 8 8 GLU CB C 13 30.615 0.300 . 1 . . . . 8 GLU CB . 10146 1 12 . 1 1 8 8 GLU HB2 H 1 1.951 0.030 . 2 . . . . 8 GLU HB2 . 10146 1 13 . 1 1 8 8 GLU HB3 H 1 2.123 0.030 . 2 . . . . 8 GLU HB3 . 10146 1 14 . 1 1 8 8 GLU CG C 13 36.187 0.300 . 1 . . . . 8 GLU CG . 10146 1 15 . 1 1 8 8 GLU HG2 H 1 2.280 0.030 . 1 . . . . 8 GLU HG2 . 10146 1 16 . 1 1 8 8 GLU HG3 H 1 2.280 0.030 . 1 . . . . 8 GLU HG3 . 10146 1 17 . 1 1 8 8 GLU C C 13 176.858 0.300 . 1 . . . . 8 GLU C . 10146 1 18 . 1 1 9 9 GLY N N 15 109.731 0.300 . 1 . . . . 9 GLY N . 10146 1 19 . 1 1 9 9 GLY H H 1 8.522 0.030 . 1 . . . . 9 GLY H . 10146 1 20 . 1 1 9 9 GLY CA C 13 45.110 0.300 . 1 . . . . 9 GLY CA . 10146 1 21 . 1 1 9 9 GLY HA2 H 1 4.090 0.030 . 2 . . . . 9 GLY HA2 . 10146 1 22 . 1 1 9 9 GLY HA3 H 1 3.931 0.030 . 2 . . . . 9 GLY HA3 . 10146 1 23 . 1 1 9 9 GLY C C 13 173.933 0.300 . 1 . . . . 9 GLY C . 10146 1 24 . 1 1 10 10 GLY N N 15 107.139 0.300 . 1 . . . . 10 GLY N . 10146 1 25 . 1 1 10 10 GLY H H 1 8.393 0.030 . 1 . . . . 10 GLY H . 10146 1 26 . 1 1 10 10 GLY CA C 13 45.039 0.300 . 1 . . . . 10 GLY CA . 10146 1 27 . 1 1 10 10 GLY HA2 H 1 3.868 0.030 . 2 . . . . 10 GLY HA2 . 10146 1 28 . 1 1 10 10 GLY HA3 H 1 4.528 0.030 . 2 . . . . 10 GLY HA3 . 10146 1 29 . 1 1 10 10 GLY C C 13 174.561 0.300 . 1 . . . . 10 GLY C . 10146 1 30 . 1 1 11 11 ALA N N 15 122.466 0.300 . 1 . . . . 11 ALA N . 10146 1 31 . 1 1 11 11 ALA H H 1 8.875 0.030 . 1 . . . . 11 ALA H . 10146 1 32 . 1 1 11 11 ALA CA C 13 55.391 0.300 . 1 . . . . 11 ALA CA . 10146 1 33 . 1 1 11 11 ALA HA H 1 3.803 0.030 . 1 . . . . 11 ALA HA . 10146 1 34 . 1 1 11 11 ALA CB C 13 19.583 0.300 . 1 . . . . 11 ALA CB . 10146 1 35 . 1 1 11 11 ALA HB1 H 1 1.657 0.030 . 1 . . . . 11 ALA HB . 10146 1 36 . 1 1 11 11 ALA HB2 H 1 1.657 0.030 . 1 . . . . 11 ALA HB . 10146 1 37 . 1 1 11 11 ALA HB3 H 1 1.657 0.030 . 1 . . . . 11 ALA HB . 10146 1 38 . 1 1 11 11 ALA C C 13 178.242 0.300 . 1 . . . . 11 ALA C . 10146 1 39 . 1 1 12 12 HIS N N 15 111.513 0.300 . 1 . . . . 12 HIS N . 10146 1 40 . 1 1 12 12 HIS H H 1 8.290 0.030 . 1 . . . . 12 HIS H . 10146 1 41 . 1 1 12 12 HIS CA C 13 57.847 0.300 . 1 . . . . 12 HIS CA . 10146 1 42 . 1 1 12 12 HIS HA H 1 4.443 0.030 . 1 . . . . 12 HIS HA . 10146 1 43 . 1 1 12 12 HIS CB C 13 29.321 0.300 . 1 . . . . 12 HIS CB . 10146 1 44 . 1 1 12 12 HIS HB2 H 1 3.105 0.030 . 2 . . . . 12 HIS HB2 . 10146 1 45 . 1 1 12 12 HIS HB3 H 1 3.247 0.030 . 2 . . . . 12 HIS HB3 . 10146 1 46 . 1 1 12 12 HIS CD2 C 13 119.005 0.300 . 1 . . . . 12 HIS CD2 . 10146 1 47 . 1 1 12 12 HIS HD2 H 1 7.020 0.030 . 1 . . . . 12 HIS HD2 . 10146 1 48 . 1 1 12 12 HIS CE1 C 13 139.011 0.300 . 1 . . . . 12 HIS CE1 . 10146 1 49 . 1 1 12 12 HIS HE1 H 1 7.887 0.030 . 1 . . . . 12 HIS HE1 . 10146 1 50 . 1 1 12 12 HIS C C 13 176.189 0.300 . 1 . . . . 12 HIS C . 10146 1 51 . 1 1 13 13 LYS N N 15 118.111 0.300 . 1 . . . . 13 LYS N . 10146 1 52 . 1 1 13 13 LYS H H 1 7.558 0.030 . 1 . . . . 13 LYS H . 10146 1 53 . 1 1 13 13 LYS CA C 13 54.660 0.300 . 1 . . . . 13 LYS CA . 10146 1 54 . 1 1 13 13 LYS HA H 1 4.202 0.030 . 1 . . . . 13 LYS HA . 10146 1 55 . 1 1 13 13 LYS CB C 13 32.655 0.300 . 1 . . . . 13 LYS CB . 10146 1 56 . 1 1 13 13 LYS HB2 H 1 1.662 0.030 . 2 . . . . 13 LYS HB2 . 10146 1 57 . 1 1 13 13 LYS HB3 H 1 1.364 0.030 . 2 . . . . 13 LYS HB3 . 10146 1 58 . 1 1 13 13 LYS CG C 13 24.191 0.300 . 1 . . . . 13 LYS CG . 10146 1 59 . 1 1 13 13 LYS HG2 H 1 0.979 0.030 . 2 . . . . 13 LYS HG2 . 10146 1 60 . 1 1 13 13 LYS HG3 H 1 0.779 0.030 . 2 . . . . 13 LYS HG3 . 10146 1 61 . 1 1 13 13 LYS CD C 13 28.412 0.300 . 1 . . . . 13 LYS CD . 10146 1 62 . 1 1 13 13 LYS HD2 H 1 1.437 0.030 . 2 . . . . 13 LYS HD2 . 10146 1 63 . 1 1 13 13 LYS HD3 H 1 1.529 0.030 . 2 . . . . 13 LYS HD3 . 10146 1 64 . 1 1 13 13 LYS CE C 13 42.058 0.300 . 1 . . . . 13 LYS CE . 10146 1 65 . 1 1 13 13 LYS HE2 H 1 2.908 0.030 . 2 . . . . 13 LYS HE2 . 10146 1 66 . 1 1 13 13 LYS HE3 H 1 2.940 0.030 . 2 . . . . 13 LYS HE3 . 10146 1 67 . 1 1 13 13 LYS C C 13 176.721 0.300 . 1 . . . . 13 LYS C . 10146 1 68 . 1 1 14 14 VAL N N 15 123.625 0.300 . 1 . . . . 14 VAL N . 10146 1 69 . 1 1 14 14 VAL H H 1 7.499 0.030 . 1 . . . . 14 VAL H . 10146 1 70 . 1 1 14 14 VAL CA C 13 63.247 0.300 . 1 . . . . 14 VAL CA . 10146 1 71 . 1 1 14 14 VAL HA H 1 3.907 0.030 . 1 . . . . 14 VAL HA . 10146 1 72 . 1 1 14 14 VAL CB C 13 31.649 0.300 . 1 . . . . 14 VAL CB . 10146 1 73 . 1 1 14 14 VAL HB H 1 2.072 0.030 . 1 . . . . 14 VAL HB . 10146 1 74 . 1 1 14 14 VAL CG1 C 13 23.522 0.300 . 2 . . . . 14 VAL CG1 . 10146 1 75 . 1 1 14 14 VAL HG11 H 1 0.844 0.030 . 1 . . . . 14 VAL HG1 . 10146 1 76 . 1 1 14 14 VAL HG12 H 1 0.844 0.030 . 1 . . . . 14 VAL HG1 . 10146 1 77 . 1 1 14 14 VAL HG13 H 1 0.844 0.030 . 1 . . . . 14 VAL HG1 . 10146 1 78 . 1 1 14 14 VAL CG2 C 13 23.650 0.300 . 2 . . . . 14 VAL CG2 . 10146 1 79 . 1 1 14 14 VAL HG21 H 1 0.307 0.030 . 1 . . . . 14 VAL HG2 . 10146 1 80 . 1 1 14 14 VAL HG22 H 1 0.307 0.030 . 1 . . . . 14 VAL HG2 . 10146 1 81 . 1 1 14 14 VAL HG23 H 1 0.307 0.030 . 1 . . . . 14 VAL HG2 . 10146 1 82 . 1 1 15 15 ARG H H 1 8.106 0.030 . 1 . . . . 15 ARG H . 10146 1 83 . 1 1 15 15 ARG CA C 13 53.791 0.300 . 1 . . . . 15 ARG CA . 10146 1 84 . 1 1 15 15 ARG HA H 1 5.021 0.030 . 1 . . . . 15 ARG HA . 10146 1 85 . 1 1 15 15 ARG CB C 13 34.207 0.300 . 1 . . . . 15 ARG CB . 10146 1 86 . 1 1 15 15 ARG HB2 H 1 2.059 0.030 . 1 . . . . 15 ARG HB2 . 10146 1 87 . 1 1 15 15 ARG HB3 H 1 2.059 0.030 . 1 . . . . 15 ARG HB3 . 10146 1 88 . 1 1 15 15 ARG CG C 13 27.323 0.300 . 1 . . . . 15 ARG CG . 10146 1 89 . 1 1 15 15 ARG HG2 H 1 1.651 0.030 . 2 . . . . 15 ARG HG2 . 10146 1 90 . 1 1 15 15 ARG HG3 H 1 1.722 0.030 . 2 . . . . 15 ARG HG3 . 10146 1 91 . 1 1 15 15 ARG CD C 13 42.775 0.300 . 1 . . . . 15 ARG CD . 10146 1 92 . 1 1 15 15 ARG HD2 H 1 3.246 0.030 . 2 . . . . 15 ARG HD2 . 10146 1 93 . 1 1 15 15 ARG HD3 H 1 3.210 0.030 . 2 . . . . 15 ARG HD3 . 10146 1 94 . 1 1 16 16 ALA N N 15 123.795 0.300 . 1 . . . . 16 ALA N . 10146 1 95 . 1 1 16 16 ALA H H 1 8.875 0.030 . 1 . . . . 16 ALA H . 10146 1 96 . 1 1 16 16 ALA CA C 13 51.092 0.300 . 1 . . . . 16 ALA CA . 10146 1 97 . 1 1 16 16 ALA HA H 1 5.569 0.030 . 1 . . . . 16 ALA HA . 10146 1 98 . 1 1 16 16 ALA CB C 13 23.845 0.300 . 1 . . . . 16 ALA CB . 10146 1 99 . 1 1 16 16 ALA HB1 H 1 1.345 0.030 . 1 . . . . 16 ALA HB . 10146 1 100 . 1 1 16 16 ALA HB2 H 1 1.345 0.030 . 1 . . . . 16 ALA HB . 10146 1 101 . 1 1 16 16 ALA HB3 H 1 1.345 0.030 . 1 . . . . 16 ALA HB . 10146 1 102 . 1 1 17 17 GLY N N 15 106.516 0.300 . 1 . . . . 17 GLY N . 10146 1 103 . 1 1 17 17 GLY H H 1 8.616 0.030 . 1 . . . . 17 GLY H . 10146 1 104 . 1 1 17 17 GLY CA C 13 46.205 0.300 . 1 . . . . 17 GLY CA . 10146 1 105 . 1 1 17 17 GLY HA2 H 1 4.289 0.030 . 2 . . . . 17 GLY HA2 . 10146 1 106 . 1 1 17 17 GLY HA3 H 1 4.226 0.030 . 2 . . . . 17 GLY HA3 . 10146 1 107 . 1 1 18 18 GLY N N 15 111.804 0.300 . 1 . . . . 18 GLY N . 10146 1 108 . 1 1 18 18 GLY H H 1 8.816 0.030 . 1 . . . . 18 GLY H . 10146 1 109 . 1 1 18 18 GLY CA C 13 44.595 0.300 . 1 . . . . 18 GLY CA . 10146 1 110 . 1 1 18 18 GLY HA2 H 1 4.105 0.030 . 1 . . . . 18 GLY HA2 . 10146 1 111 . 1 1 18 18 GLY HA3 H 1 4.105 0.030 . 1 . . . . 18 GLY HA3 . 10146 1 112 . 1 1 19 19 PRO CA C 13 65.526 0.300 . 1 . . . . 19 PRO CA . 10146 1 113 . 1 1 19 19 PRO HA H 1 4.335 0.030 . 1 . . . . 19 PRO HA . 10146 1 114 . 1 1 19 19 PRO CB C 13 31.790 0.300 . 1 . . . . 19 PRO CB . 10146 1 115 . 1 1 19 19 PRO HB2 H 1 2.247 0.030 . 2 . . . . 19 PRO HB2 . 10146 1 116 . 1 1 19 19 PRO HB3 H 1 2.415 0.030 . 2 . . . . 19 PRO HB3 . 10146 1 117 . 1 1 19 19 PRO CG C 13 27.459 0.300 . 1 . . . . 19 PRO CG . 10146 1 118 . 1 1 19 19 PRO HG2 H 1 2.004 0.030 . 1 . . . . 19 PRO HG2 . 10146 1 119 . 1 1 19 19 PRO HG3 H 1 2.004 0.030 . 1 . . . . 19 PRO HG3 . 10146 1 120 . 1 1 19 19 PRO CD C 13 49.667 0.300 . 1 . . . . 19 PRO CD . 10146 1 121 . 1 1 19 19 PRO HD2 H 1 3.597 0.030 . 1 . . . . 19 PRO HD2 . 10146 1 122 . 1 1 19 19 PRO HD3 H 1 3.597 0.030 . 1 . . . . 19 PRO HD3 . 10146 1 123 . 1 1 19 19 PRO C C 13 179.208 0.300 . 1 . . . . 19 PRO C . 10146 1 124 . 1 1 20 20 GLY N N 15 103.234 0.300 . 1 . . . . 20 GLY N . 10146 1 125 . 1 1 20 20 GLY H H 1 9.282 0.030 . 1 . . . . 20 GLY H . 10146 1 126 . 1 1 20 20 GLY CA C 13 46.361 0.300 . 1 . . . . 20 GLY CA . 10146 1 127 . 1 1 20 20 GLY HA2 H 1 3.214 0.030 . 2 . . . . 20 GLY HA2 . 10146 1 128 . 1 1 20 20 GLY HA3 H 1 4.184 0.030 . 2 . . . . 20 GLY HA3 . 10146 1 129 . 1 1 20 20 GLY C C 13 172.711 0.300 . 1 . . . . 20 GLY C . 10146 1 130 . 1 1 21 21 LEU N N 15 116.307 0.300 . 1 . . . . 21 LEU N . 10146 1 131 . 1 1 21 21 LEU H H 1 7.559 0.030 . 1 . . . . 21 LEU H . 10146 1 132 . 1 1 21 21 LEU CA C 13 53.980 0.300 . 1 . . . . 21 LEU CA . 10146 1 133 . 1 1 21 21 LEU HA H 1 4.166 0.030 . 1 . . . . 21 LEU HA . 10146 1 134 . 1 1 21 21 LEU CB C 13 40.135 0.300 . 1 . . . . 21 LEU CB . 10146 1 135 . 1 1 21 21 LEU HB2 H 1 1.300 0.030 . 2 . . . . 21 LEU HB2 . 10146 1 136 . 1 1 21 21 LEU HB3 H 1 1.055 0.030 . 2 . . . . 21 LEU HB3 . 10146 1 137 . 1 1 21 21 LEU CG C 13 25.879 0.300 . 1 . . . . 21 LEU CG . 10146 1 138 . 1 1 21 21 LEU HG H 1 0.303 0.030 . 1 . . . . 21 LEU HG . 10146 1 139 . 1 1 21 21 LEU CD1 C 13 23.932 0.300 . 2 . . . . 21 LEU CD1 . 10146 1 140 . 1 1 21 21 LEU HD11 H 1 -0.180 0.030 . 1 . . . . 21 LEU HD1 . 10146 1 141 . 1 1 21 21 LEU HD12 H 1 -0.180 0.030 . 1 . . . . 21 LEU HD1 . 10146 1 142 . 1 1 21 21 LEU HD13 H 1 -0.180 0.030 . 1 . . . . 21 LEU HD1 . 10146 1 143 . 1 1 21 21 LEU CD2 C 13 19.847 0.300 . 2 . . . . 21 LEU CD2 . 10146 1 144 . 1 1 21 21 LEU HD21 H 1 -0.864 0.030 . 1 . . . . 21 LEU HD2 . 10146 1 145 . 1 1 21 21 LEU HD22 H 1 -0.864 0.030 . 1 . . . . 21 LEU HD2 . 10146 1 146 . 1 1 21 21 LEU HD23 H 1 -0.864 0.030 . 1 . . . . 21 LEU HD2 . 10146 1 147 . 1 1 21 21 LEU C C 13 175.859 0.300 . 1 . . . . 21 LEU C . 10146 1 148 . 1 1 22 22 GLU N N 15 119.926 0.300 . 1 . . . . 22 GLU N . 10146 1 149 . 1 1 22 22 GLU H H 1 7.927 0.030 . 1 . . . . 22 GLU H . 10146 1 150 . 1 1 22 22 GLU CA C 13 57.490 0.300 . 1 . . . . 22 GLU CA . 10146 1 151 . 1 1 22 22 GLU HA H 1 4.511 0.030 . 1 . . . . 22 GLU HA . 10146 1 152 . 1 1 22 22 GLU CB C 13 32.057 0.300 . 1 . . . . 22 GLU CB . 10146 1 153 . 1 1 22 22 GLU HB2 H 1 2.126 0.030 . 2 . . . . 22 GLU HB2 . 10146 1 154 . 1 1 22 22 GLU HB3 H 1 2.213 0.030 . 2 . . . . 22 GLU HB3 . 10146 1 155 . 1 1 22 22 GLU CG C 13 35.667 0.300 . 1 . . . . 22 GLU CG . 10146 1 156 . 1 1 22 22 GLU HG2 H 1 2.382 0.030 . 2 . . . . 22 GLU HG2 . 10146 1 157 . 1 1 22 22 GLU HG3 H 1 2.206 0.030 . 2 . . . . 22 GLU HG3 . 10146 1 158 . 1 1 22 22 GLU C C 13 175.521 0.300 . 1 . . . . 22 GLU C . 10146 1 159 . 1 1 23 23 ARG N N 15 116.789 0.300 . 1 . . . . 23 ARG N . 10146 1 160 . 1 1 23 23 ARG H H 1 8.340 0.030 . 1 . . . . 23 ARG H . 10146 1 161 . 1 1 23 23 ARG CA C 13 56.464 0.300 . 1 . . . . 23 ARG CA . 10146 1 162 . 1 1 23 23 ARG HA H 1 4.688 0.030 . 1 . . . . 23 ARG HA . 10146 1 163 . 1 1 23 23 ARG CB C 13 32.571 0.300 . 1 . . . . 23 ARG CB . 10146 1 164 . 1 1 23 23 ARG HB2 H 1 1.973 0.030 . 1 . . . . 23 ARG HB2 . 10146 1 165 . 1 1 23 23 ARG HB3 H 1 1.973 0.030 . 1 . . . . 23 ARG HB3 . 10146 1 166 . 1 1 23 23 ARG CG C 13 26.544 0.300 . 1 . . . . 23 ARG CG . 10146 1 167 . 1 1 23 23 ARG HG2 H 1 1.631 0.030 . 2 . . . . 23 ARG HG2 . 10146 1 168 . 1 1 23 23 ARG HG3 H 1 1.679 0.030 . 2 . . . . 23 ARG HG3 . 10146 1 169 . 1 1 23 23 ARG CD C 13 43.603 0.300 . 1 . . . . 23 ARG CD . 10146 1 170 . 1 1 23 23 ARG HD2 H 1 3.204 0.030 . 1 . . . . 23 ARG HD2 . 10146 1 171 . 1 1 23 23 ARG HD3 H 1 3.204 0.030 . 1 . . . . 23 ARG HD3 . 10146 1 172 . 1 1 23 23 ARG NE N 15 84.505 0.300 . 1 . . . . 23 ARG NE . 10146 1 173 . 1 1 23 23 ARG HE H 1 7.251 0.030 . 1 . . . . 23 ARG HE . 10146 1 174 . 1 1 23 23 ARG C C 13 173.992 0.300 . 1 . . . . 23 ARG C . 10146 1 175 . 1 1 24 24 GLY N N 15 108.837 0.300 . 1 . . . . 24 GLY N . 10146 1 176 . 1 1 24 24 GLY H H 1 8.736 0.030 . 1 . . . . 24 GLY H . 10146 1 177 . 1 1 24 24 GLY CA C 13 43.943 0.300 . 1 . . . . 24 GLY CA . 10146 1 178 . 1 1 24 24 GLY HA2 H 1 3.510 0.030 . 2 . . . . 24 GLY HA2 . 10146 1 179 . 1 1 24 24 GLY HA3 H 1 4.679 0.030 . 2 . . . . 24 GLY HA3 . 10146 1 180 . 1 1 24 24 GLY C C 13 171.930 0.300 . 1 . . . . 24 GLY C . 10146 1 181 . 1 1 25 25 GLU N N 15 122.126 0.300 . 1 . . . . 25 GLU N . 10146 1 182 . 1 1 25 25 GLU H H 1 9.429 0.030 . 1 . . . . 25 GLU H . 10146 1 183 . 1 1 25 25 GLU CA C 13 54.209 0.300 . 1 . . . . 25 GLU CA . 10146 1 184 . 1 1 25 25 GLU HA H 1 5.049 0.030 . 1 . . . . 25 GLU HA . 10146 1 185 . 1 1 25 25 GLU CB C 13 32.945 0.300 . 1 . . . . 25 GLU CB . 10146 1 186 . 1 1 25 25 GLU HB2 H 1 1.703 0.030 . 2 . . . . 25 GLU HB2 . 10146 1 187 . 1 1 25 25 GLU HB3 H 1 1.773 0.030 . 2 . . . . 25 GLU HB3 . 10146 1 188 . 1 1 25 25 GLU CG C 13 36.708 0.300 . 1 . . . . 25 GLU CG . 10146 1 189 . 1 1 25 25 GLU HG2 H 1 2.093 0.030 . 1 . . . . 25 GLU HG2 . 10146 1 190 . 1 1 25 25 GLU HG3 H 1 2.093 0.030 . 1 . . . . 25 GLU HG3 . 10146 1 191 . 1 1 25 25 GLU C C 13 175.853 0.300 . 1 . . . . 25 GLU C . 10146 1 192 . 1 1 26 26 ALA N N 15 128.654 0.300 . 1 . . . . 26 ALA N . 10146 1 193 . 1 1 26 26 ALA H H 1 8.518 0.030 . 1 . . . . 26 ALA H . 10146 1 194 . 1 1 26 26 ALA CA C 13 53.187 0.300 . 1 . . . . 26 ALA CA . 10146 1 195 . 1 1 26 26 ALA HA H 1 3.855 0.030 . 1 . . . . 26 ALA HA . 10146 1 196 . 1 1 26 26 ALA CB C 13 17.420 0.300 . 1 . . . . 26 ALA CB . 10146 1 197 . 1 1 26 26 ALA HB1 H 1 1.044 0.030 . 1 . . . . 26 ALA HB . 10146 1 198 . 1 1 26 26 ALA HB2 H 1 1.044 0.030 . 1 . . . . 26 ALA HB . 10146 1 199 . 1 1 26 26 ALA HB3 H 1 1.044 0.030 . 1 . . . . 26 ALA HB . 10146 1 200 . 1 1 26 26 ALA C C 13 177.837 0.300 . 1 . . . . 26 ALA C . 10146 1 201 . 1 1 27 27 GLY N N 15 108.210 0.300 . 1 . . . . 27 GLY N . 10146 1 202 . 1 1 27 27 GLY H H 1 8.583 0.030 . 1 . . . . 27 GLY H . 10146 1 203 . 1 1 27 27 GLY CA C 13 45.619 0.300 . 1 . . . . 27 GLY CA . 10146 1 204 . 1 1 27 27 GLY HA2 H 1 3.364 0.030 . 2 . . . . 27 GLY HA2 . 10146 1 205 . 1 1 27 27 GLY HA3 H 1 4.158 0.030 . 2 . . . . 27 GLY HA3 . 10146 1 206 . 1 1 27 27 GLY C C 13 173.084 0.300 . 1 . . . . 27 GLY C . 10146 1 207 . 1 1 28 28 VAL N N 15 122.974 0.300 . 1 . . . . 28 VAL N . 10146 1 208 . 1 1 28 28 VAL H H 1 7.878 0.030 . 1 . . . . 28 VAL H . 10146 1 209 . 1 1 28 28 VAL CA C 13 59.182 0.300 . 1 . . . . 28 VAL CA . 10146 1 210 . 1 1 28 28 VAL HA H 1 4.510 0.030 . 1 . . . . 28 VAL HA . 10146 1 211 . 1 1 28 28 VAL CB C 13 34.549 0.300 . 1 . . . . 28 VAL CB . 10146 1 212 . 1 1 28 28 VAL HB H 1 2.027 0.030 . 1 . . . . 28 VAL HB . 10146 1 213 . 1 1 28 28 VAL CG1 C 13 20.430 0.300 . 2 . . . . 28 VAL CG1 . 10146 1 214 . 1 1 28 28 VAL HG11 H 1 0.957 0.030 . 1 . . . . 28 VAL HG1 . 10146 1 215 . 1 1 28 28 VAL HG12 H 1 0.957 0.030 . 1 . . . . 28 VAL HG1 . 10146 1 216 . 1 1 28 28 VAL HG13 H 1 0.957 0.030 . 1 . . . . 28 VAL HG1 . 10146 1 217 . 1 1 28 28 VAL CG2 C 13 20.793 0.300 . 2 . . . . 28 VAL CG2 . 10146 1 218 . 1 1 28 28 VAL HG21 H 1 0.777 0.030 . 1 . . . . 28 VAL HG2 . 10146 1 219 . 1 1 28 28 VAL HG22 H 1 0.777 0.030 . 1 . . . . 28 VAL HG2 . 10146 1 220 . 1 1 28 28 VAL HG23 H 1 0.777 0.030 . 1 . . . . 28 VAL HG2 . 10146 1 221 . 1 1 28 28 VAL C C 13 174.171 0.300 . 1 . . . . 28 VAL C . 10146 1 222 . 1 1 29 29 PRO CA C 13 64.354 0.300 . 1 . . . . 29 PRO CA . 10146 1 223 . 1 1 29 29 PRO HA H 1 4.064 0.030 . 1 . . . . 29 PRO HA . 10146 1 224 . 1 1 29 29 PRO CB C 13 31.464 0.300 . 1 . . . . 29 PRO CB . 10146 1 225 . 1 1 29 29 PRO HB2 H 1 1.986 0.030 . 2 . . . . 29 PRO HB2 . 10146 1 226 . 1 1 29 29 PRO HB3 H 1 1.715 0.030 . 2 . . . . 29 PRO HB3 . 10146 1 227 . 1 1 29 29 PRO CG C 13 27.731 0.300 . 1 . . . . 29 PRO CG . 10146 1 228 . 1 1 29 29 PRO HG2 H 1 1.773 0.030 . 2 . . . . 29 PRO HG2 . 10146 1 229 . 1 1 29 29 PRO HG3 H 1 2.041 0.030 . 2 . . . . 29 PRO HG3 . 10146 1 230 . 1 1 29 29 PRO CD C 13 51.104 0.300 . 1 . . . . 29 PRO CD . 10146 1 231 . 1 1 29 29 PRO HD2 H 1 3.601 0.030 . 2 . . . . 29 PRO HD2 . 10146 1 232 . 1 1 29 29 PRO HD3 H 1 3.788 0.030 . 2 . . . . 29 PRO HD3 . 10146 1 233 . 1 1 29 29 PRO C C 13 174.718 0.300 . 1 . . . . 29 PRO C . 10146 1 234 . 1 1 30 30 ALA N N 15 131.821 0.300 . 1 . . . . 30 ALA N . 10146 1 235 . 1 1 30 30 ALA H H 1 8.990 0.030 . 1 . . . . 30 ALA H . 10146 1 236 . 1 1 30 30 ALA CA C 13 50.482 0.300 . 1 . . . . 30 ALA CA . 10146 1 237 . 1 1 30 30 ALA HA H 1 4.558 0.030 . 1 . . . . 30 ALA HA . 10146 1 238 . 1 1 30 30 ALA CB C 13 18.793 0.300 . 1 . . . . 30 ALA CB . 10146 1 239 . 1 1 30 30 ALA HB1 H 1 0.613 0.030 . 1 . . . . 30 ALA HB . 10146 1 240 . 1 1 30 30 ALA HB2 H 1 0.613 0.030 . 1 . . . . 30 ALA HB . 10146 1 241 . 1 1 30 30 ALA HB3 H 1 0.613 0.030 . 1 . . . . 30 ALA HB . 10146 1 242 . 1 1 30 30 ALA C C 13 176.319 0.300 . 1 . . . . 30 ALA C . 10146 1 243 . 1 1 31 31 GLU N N 15 119.523 0.300 . 1 . . . . 31 GLU N . 10146 1 244 . 1 1 31 31 GLU H H 1 8.273 0.030 . 1 . . . . 31 GLU H . 10146 1 245 . 1 1 31 31 GLU CA C 13 55.261 0.300 . 1 . . . . 31 GLU CA . 10146 1 246 . 1 1 31 31 GLU HA H 1 5.290 0.030 . 1 . . . . 31 GLU HA . 10146 1 247 . 1 1 31 31 GLU CB C 13 33.484 0.300 . 1 . . . . 31 GLU CB . 10146 1 248 . 1 1 31 31 GLU HB2 H 1 1.981 0.030 . 1 . . . . 31 GLU HB2 . 10146 1 249 . 1 1 31 31 GLU HB3 H 1 1.981 0.030 . 1 . . . . 31 GLU HB3 . 10146 1 250 . 1 1 31 31 GLU CG C 13 36.582 0.300 . 1 . . . . 31 GLU CG . 10146 1 251 . 1 1 31 31 GLU HG2 H 1 2.052 0.030 . 1 . . . . 31 GLU HG2 . 10146 1 252 . 1 1 31 31 GLU HG3 H 1 2.052 0.030 . 1 . . . . 31 GLU HG3 . 10146 1 253 . 1 1 31 31 GLU C C 13 176.617 0.300 . 1 . . . . 31 GLU C . 10146 1 254 . 1 1 32 32 PHE N N 15 115.139 0.300 . 1 . . . . 32 PHE N . 10146 1 255 . 1 1 32 32 PHE H H 1 8.905 0.030 . 1 . . . . 32 PHE H . 10146 1 256 . 1 1 32 32 PHE CA C 13 57.490 0.300 . 1 . . . . 32 PHE CA . 10146 1 257 . 1 1 32 32 PHE HA H 1 5.031 0.030 . 1 . . . . 32 PHE HA . 10146 1 258 . 1 1 32 32 PHE CB C 13 39.989 0.300 . 1 . . . . 32 PHE CB . 10146 1 259 . 1 1 32 32 PHE HB2 H 1 2.835 0.030 . 1 . . . . 32 PHE HB2 . 10146 1 260 . 1 1 32 32 PHE HB3 H 1 2.835 0.030 . 1 . . . . 32 PHE HB3 . 10146 1 261 . 1 1 32 32 PHE CD1 C 13 132.532 0.300 . 1 . . . . 32 PHE CD1 . 10146 1 262 . 1 1 32 32 PHE HD1 H 1 6.710 0.030 . 1 . . . . 32 PHE HD1 . 10146 1 263 . 1 1 32 32 PHE CD2 C 13 132.532 0.300 . 1 . . . . 32 PHE CD2 . 10146 1 264 . 1 1 32 32 PHE HD2 H 1 6.710 0.030 . 1 . . . . 32 PHE HD2 . 10146 1 265 . 1 1 32 32 PHE CE1 C 13 130.495 0.300 . 1 . . . . 32 PHE CE1 . 10146 1 266 . 1 1 32 32 PHE HE1 H 1 6.962 0.030 . 1 . . . . 32 PHE HE1 . 10146 1 267 . 1 1 32 32 PHE CE2 C 13 130.495 0.300 . 1 . . . . 32 PHE CE2 . 10146 1 268 . 1 1 32 32 PHE HE2 H 1 6.962 0.030 . 1 . . . . 32 PHE HE2 . 10146 1 269 . 1 1 32 32 PHE CZ C 13 128.447 0.300 . 1 . . . . 32 PHE CZ . 10146 1 270 . 1 1 32 32 PHE HZ H 1 6.751 0.030 . 1 . . . . 32 PHE HZ . 10146 1 271 . 1 1 32 32 PHE C C 13 172.714 0.300 . 1 . . . . 32 PHE C . 10146 1 272 . 1 1 33 33 SER CA C 13 57.324 0.300 . 1 . . . . 33 SER CA . 10146 1 273 . 1 1 33 33 SER HA H 1 5.404 0.030 . 1 . . . . 33 SER HA . 10146 1 274 . 1 1 33 33 SER CB C 13 66.623 0.300 . 1 . . . . 33 SER CB . 10146 1 275 . 1 1 33 33 SER HB2 H 1 3.396 0.030 . 1 . . . . 33 SER HB2 . 10146 1 276 . 1 1 33 33 SER HB3 H 1 3.396 0.030 . 1 . . . . 33 SER HB3 . 10146 1 277 . 1 1 34 34 ILE N N 15 127.688 0.300 . 1 . . . . 34 ILE N . 10146 1 278 . 1 1 34 34 ILE H H 1 9.577 0.030 . 1 . . . . 34 ILE H . 10146 1 279 . 1 1 34 34 ILE CA C 13 60.614 0.300 . 1 . . . . 34 ILE CA . 10146 1 280 . 1 1 34 34 ILE HA H 1 4.668 0.030 . 1 . . . . 34 ILE HA . 10146 1 281 . 1 1 34 34 ILE CB C 13 41.681 0.300 . 1 . . . . 34 ILE CB . 10146 1 282 . 1 1 34 34 ILE HB H 1 1.483 0.030 . 1 . . . . 34 ILE HB . 10146 1 283 . 1 1 34 34 ILE CG1 C 13 27.887 0.300 . 1 . . . . 34 ILE CG1 . 10146 1 284 . 1 1 34 34 ILE HG12 H 1 1.035 0.030 . 2 . . . . 34 ILE HG12 . 10146 1 285 . 1 1 34 34 ILE HG13 H 1 1.635 0.030 . 2 . . . . 34 ILE HG13 . 10146 1 286 . 1 1 34 34 ILE CG2 C 13 19.269 0.300 . 1 . . . . 34 ILE CG2 . 10146 1 287 . 1 1 34 34 ILE HG21 H 1 0.888 0.030 . 1 . . . . 34 ILE HG2 . 10146 1 288 . 1 1 34 34 ILE HG22 H 1 0.888 0.030 . 1 . . . . 34 ILE HG2 . 10146 1 289 . 1 1 34 34 ILE HG23 H 1 0.888 0.030 . 1 . . . . 34 ILE HG2 . 10146 1 290 . 1 1 34 34 ILE CD1 C 13 17.213 0.300 . 1 . . . . 34 ILE CD1 . 10146 1 291 . 1 1 34 34 ILE HD11 H 1 0.967 0.030 . 1 . . . . 34 ILE HD1 . 10146 1 292 . 1 1 34 34 ILE HD12 H 1 0.967 0.030 . 1 . . . . 34 ILE HD1 . 10146 1 293 . 1 1 34 34 ILE HD13 H 1 0.967 0.030 . 1 . . . . 34 ILE HD1 . 10146 1 294 . 1 1 35 35 TRP CA C 13 58.440 0.300 . 1 . . . . 35 TRP CA . 10146 1 295 . 1 1 35 35 TRP HA H 1 5.262 0.030 . 1 . . . . 35 TRP HA . 10146 1 296 . 1 1 35 35 TRP CB C 13 30.511 0.300 . 1 . . . . 35 TRP CB . 10146 1 297 . 1 1 35 35 TRP HB2 H 1 3.178 0.030 . 2 . . . . 35 TRP HB2 . 10146 1 298 . 1 1 35 35 TRP HB3 H 1 3.459 0.030 . 2 . . . . 35 TRP HB3 . 10146 1 299 . 1 1 35 35 TRP CD1 C 13 127.133 0.300 . 1 . . . . 35 TRP CD1 . 10146 1 300 . 1 1 35 35 TRP HD1 H 1 7.227 0.030 . 1 . . . . 35 TRP HD1 . 10146 1 301 . 1 1 35 35 TRP NE1 N 15 129.625 0.300 . 1 . . . . 35 TRP NE1 . 10146 1 302 . 1 1 35 35 TRP HE1 H 1 10.399 0.030 . 1 . . . . 35 TRP HE1 . 10146 1 303 . 1 1 35 35 TRP CE3 C 13 120.691 0.300 . 1 . . . . 35 TRP CE3 . 10146 1 304 . 1 1 35 35 TRP HE3 H 1 7.436 0.030 . 1 . . . . 35 TRP HE3 . 10146 1 305 . 1 1 35 35 TRP CZ2 C 13 114.478 0.300 . 1 . . . . 35 TRP CZ2 . 10146 1 306 . 1 1 35 35 TRP HZ2 H 1 7.529 0.030 . 1 . . . . 35 TRP HZ2 . 10146 1 307 . 1 1 35 35 TRP CZ3 C 13 121.439 0.300 . 1 . . . . 35 TRP CZ3 . 10146 1 308 . 1 1 35 35 TRP HZ3 H 1 6.861 0.030 . 1 . . . . 35 TRP HZ3 . 10146 1 309 . 1 1 35 35 TRP CH2 C 13 124.455 0.300 . 1 . . . . 35 TRP CH2 . 10146 1 310 . 1 1 35 35 TRP HH2 H 1 7.183 0.030 . 1 . . . . 35 TRP HH2 . 10146 1 311 . 1 1 36 36 THR N N 15 114.021 0.300 . 1 . . . . 36 THR N . 10146 1 312 . 1 1 36 36 THR H H 1 8.680 0.030 . 1 . . . . 36 THR H . 10146 1 313 . 1 1 36 36 THR CA C 13 61.459 0.300 . 1 . . . . 36 THR CA . 10146 1 314 . 1 1 36 36 THR HA H 1 4.364 0.030 . 1 . . . . 36 THR HA . 10146 1 315 . 1 1 36 36 THR CB C 13 69.197 0.300 . 1 . . . . 36 THR CB . 10146 1 316 . 1 1 36 36 THR HB H 1 4.431 0.030 . 1 . . . . 36 THR HB . 10146 1 317 . 1 1 36 36 THR CG2 C 13 22.259 0.300 . 1 . . . . 36 THR CG2 . 10146 1 318 . 1 1 36 36 THR HG21 H 1 1.083 0.030 . 1 . . . . 36 THR HG2 . 10146 1 319 . 1 1 36 36 THR HG22 H 1 1.083 0.030 . 1 . . . . 36 THR HG2 . 10146 1 320 . 1 1 36 36 THR HG23 H 1 1.083 0.030 . 1 . . . . 36 THR HG2 . 10146 1 321 . 1 1 37 37 ARG CA C 13 56.501 0.300 . 1 . . . . 37 ARG CA . 10146 1 322 . 1 1 37 37 ARG HA H 1 4.207 0.030 . 1 . . . . 37 ARG HA . 10146 1 323 . 1 1 37 37 ARG CB C 13 30.884 0.300 . 1 . . . . 37 ARG CB . 10146 1 324 . 1 1 37 37 ARG HB2 H 1 1.824 0.030 . 2 . . . . 37 ARG HB2 . 10146 1 325 . 1 1 37 37 ARG HB3 H 1 1.744 0.030 . 2 . . . . 37 ARG HB3 . 10146 1 326 . 1 1 37 37 ARG CG C 13 27.077 0.300 . 1 . . . . 37 ARG CG . 10146 1 327 . 1 1 37 37 ARG HG2 H 1 1.595 0.030 . 1 . . . . 37 ARG HG2 . 10146 1 328 . 1 1 37 37 ARG HG3 H 1 1.595 0.030 . 1 . . . . 37 ARG HG3 . 10146 1 329 . 1 1 37 37 ARG CD C 13 43.431 0.300 . 1 . . . . 37 ARG CD . 10146 1 330 . 1 1 37 37 ARG HD2 H 1 3.179 0.030 . 1 . . . . 37 ARG HD2 . 10146 1 331 . 1 1 37 37 ARG HD3 H 1 3.179 0.030 . 1 . . . . 37 ARG HD3 . 10146 1 332 . 1 1 37 37 ARG C C 13 173.005 0.300 . 1 . . . . 37 ARG C . 10146 1 333 . 1 1 38 38 GLU H H 1 8.371 0.030 . 1 . . . . 38 GLU H . 10146 1 334 . 1 1 38 38 GLU CA C 13 56.895 0.300 . 1 . . . . 38 GLU CA . 10146 1 335 . 1 1 38 38 GLU HA H 1 4.270 0.030 . 1 . . . . 38 GLU HA . 10146 1 336 . 1 1 38 38 GLU CB C 13 30.001 0.300 . 1 . . . . 38 GLU CB . 10146 1 337 . 1 1 38 38 GLU HB2 H 1 1.867 0.030 . 2 . . . . 38 GLU HB2 . 10146 1 338 . 1 1 38 38 GLU HB3 H 1 2.190 0.030 . 2 . . . . 38 GLU HB3 . 10146 1 339 . 1 1 38 38 GLU CG C 13 37.234 0.300 . 1 . . . . 38 GLU CG . 10146 1 340 . 1 1 38 38 GLU HG2 H 1 2.282 0.030 . 1 . . . . 38 GLU HG2 . 10146 1 341 . 1 1 38 38 GLU HG3 H 1 2.282 0.030 . 1 . . . . 38 GLU HG3 . 10146 1 342 . 1 1 39 39 ALA N N 15 121.133 0.300 . 1 . . . . 39 ALA N . 10146 1 343 . 1 1 39 39 ALA H H 1 7.665 0.030 . 1 . . . . 39 ALA H . 10146 1 344 . 1 1 39 39 ALA CA C 13 52.963 0.300 . 1 . . . . 39 ALA CA . 10146 1 345 . 1 1 39 39 ALA HA H 1 3.964 0.030 . 1 . . . . 39 ALA HA . 10146 1 346 . 1 1 39 39 ALA CB C 13 21.097 0.300 . 1 . . . . 39 ALA CB . 10146 1 347 . 1 1 39 39 ALA HB1 H 1 0.690 0.030 . 1 . . . . 39 ALA HB . 10146 1 348 . 1 1 39 39 ALA HB2 H 1 0.690 0.030 . 1 . . . . 39 ALA HB . 10146 1 349 . 1 1 39 39 ALA HB3 H 1 0.690 0.030 . 1 . . . . 39 ALA HB . 10146 1 350 . 1 1 39 39 ALA C C 13 177.871 0.300 . 1 . . . . 39 ALA C . 10146 1 351 . 1 1 40 40 GLY N N 15 105.600 0.300 . 1 . . . . 40 GLY N . 10146 1 352 . 1 1 40 40 GLY H H 1 7.654 0.030 . 1 . . . . 40 GLY H . 10146 1 353 . 1 1 40 40 GLY CA C 13 44.261 0.300 . 1 . . . . 40 GLY CA . 10146 1 354 . 1 1 40 40 GLY HA2 H 1 3.766 0.030 . 2 . . . . 40 GLY HA2 . 10146 1 355 . 1 1 40 40 GLY HA3 H 1 4.196 0.030 . 2 . . . . 40 GLY HA3 . 10146 1 356 . 1 1 40 40 GLY C C 13 172.824 0.300 . 1 . . . . 40 GLY C . 10146 1 357 . 1 1 41 41 ALA N N 15 122.720 0.300 . 1 . . . . 41 ALA N . 10146 1 358 . 1 1 41 41 ALA H H 1 8.364 0.030 . 1 . . . . 41 ALA H . 10146 1 359 . 1 1 41 41 ALA CA C 13 52.502 0.300 . 1 . . . . 41 ALA CA . 10146 1 360 . 1 1 41 41 ALA HA H 1 4.396 0.030 . 1 . . . . 41 ALA HA . 10146 1 361 . 1 1 41 41 ALA CB C 13 19.295 0.300 . 1 . . . . 41 ALA CB . 10146 1 362 . 1 1 41 41 ALA HB1 H 1 1.371 0.030 . 1 . . . . 41 ALA HB . 10146 1 363 . 1 1 41 41 ALA HB2 H 1 1.371 0.030 . 1 . . . . 41 ALA HB . 10146 1 364 . 1 1 41 41 ALA HB3 H 1 1.371 0.030 . 1 . . . . 41 ALA HB . 10146 1 365 . 1 1 41 41 ALA C C 13 178.393 0.300 . 1 . . . . 41 ALA C . 10146 1 366 . 1 1 42 42 GLY N N 15 109.713 0.300 . 1 . . . . 42 GLY N . 10146 1 367 . 1 1 42 42 GLY H H 1 8.194 0.030 . 1 . . . . 42 GLY H . 10146 1 368 . 1 1 42 42 GLY CA C 13 45.853 0.300 . 1 . . . . 42 GLY CA . 10146 1 369 . 1 1 42 42 GLY HA2 H 1 3.616 0.030 . 2 . . . . 42 GLY HA2 . 10146 1 370 . 1 1 42 42 GLY HA3 H 1 3.761 0.030 . 2 . . . . 42 GLY HA3 . 10146 1 371 . 1 1 42 42 GLY C C 13 172.178 0.300 . 1 . . . . 42 GLY C . 10146 1 372 . 1 1 43 43 GLY N N 15 105.505 0.300 . 1 . . . . 43 GLY N . 10146 1 373 . 1 1 43 43 GLY H H 1 7.422 0.030 . 1 . . . . 43 GLY H . 10146 1 374 . 1 1 43 43 GLY CA C 13 44.382 0.300 . 1 . . . . 43 GLY CA . 10146 1 375 . 1 1 43 43 GLY HA2 H 1 3.420 0.030 . 2 . . . . 43 GLY HA2 . 10146 1 376 . 1 1 43 43 GLY HA3 H 1 4.295 0.030 . 2 . . . . 43 GLY HA3 . 10146 1 377 . 1 1 43 43 GLY C C 13 172.885 0.300 . 1 . . . . 43 GLY C . 10146 1 378 . 1 1 44 44 LEU N N 15 125.007 0.300 . 1 . . . . 44 LEU N . 10146 1 379 . 1 1 44 44 LEU H H 1 8.525 0.030 . 1 . . . . 44 LEU H . 10146 1 380 . 1 1 44 44 LEU CA C 13 53.589 0.300 . 1 . . . . 44 LEU CA . 10146 1 381 . 1 1 44 44 LEU HA H 1 5.357 0.030 . 1 . . . . 44 LEU HA . 10146 1 382 . 1 1 44 44 LEU CB C 13 45.602 0.300 . 1 . . . . 44 LEU CB . 10146 1 383 . 1 1 44 44 LEU HB2 H 1 1.364 0.030 . 2 . . . . 44 LEU HB2 . 10146 1 384 . 1 1 44 44 LEU HB3 H 1 1.708 0.030 . 2 . . . . 44 LEU HB3 . 10146 1 385 . 1 1 44 44 LEU CG C 13 27.365 0.300 . 1 . . . . 44 LEU CG . 10146 1 386 . 1 1 44 44 LEU HG H 1 1.723 0.030 . 1 . . . . 44 LEU HG . 10146 1 387 . 1 1 44 44 LEU CD1 C 13 26.026 0.300 . 2 . . . . 44 LEU CD1 . 10146 1 388 . 1 1 44 44 LEU HD11 H 1 1.006 0.030 . 1 . . . . 44 LEU HD1 . 10146 1 389 . 1 1 44 44 LEU HD12 H 1 1.006 0.030 . 1 . . . . 44 LEU HD1 . 10146 1 390 . 1 1 44 44 LEU HD13 H 1 1.006 0.030 . 1 . . . . 44 LEU HD1 . 10146 1 391 . 1 1 44 44 LEU CD2 C 13 25.257 0.300 . 2 . . . . 44 LEU CD2 . 10146 1 392 . 1 1 44 44 LEU HD21 H 1 1.004 0.030 . 1 . . . . 44 LEU HD2 . 10146 1 393 . 1 1 44 44 LEU HD22 H 1 1.004 0.030 . 1 . . . . 44 LEU HD2 . 10146 1 394 . 1 1 44 44 LEU HD23 H 1 1.004 0.030 . 1 . . . . 44 LEU HD2 . 10146 1 395 . 1 1 44 44 LEU C C 13 177.034 0.300 . 1 . . . . 44 LEU C . 10146 1 396 . 1 1 45 45 SER N N 15 117.626 0.300 . 1 . . . . 45 SER N . 10146 1 397 . 1 1 45 45 SER H H 1 9.010 0.030 . 1 . . . . 45 SER H . 10146 1 398 . 1 1 45 45 SER CA C 13 57.065 0.300 . 1 . . . . 45 SER CA . 10146 1 399 . 1 1 45 45 SER HA H 1 4.660 0.030 . 1 . . . . 45 SER HA . 10146 1 400 . 1 1 45 45 SER CB C 13 65.309 0.300 . 1 . . . . 45 SER CB . 10146 1 401 . 1 1 45 45 SER HB2 H 1 3.621 0.030 . 1 . . . . 45 SER HB2 . 10146 1 402 . 1 1 45 45 SER HB3 H 1 3.621 0.030 . 1 . . . . 45 SER HB3 . 10146 1 403 . 1 1 45 45 SER C C 13 172.724 0.300 . 1 . . . . 45 SER C . 10146 1 404 . 1 1 46 46 ILE N N 15 125.604 0.300 . 1 . . . . 46 ILE N . 10146 1 405 . 1 1 46 46 ILE H H 1 8.584 0.030 . 1 . . . . 46 ILE H . 10146 1 406 . 1 1 46 46 ILE CA C 13 59.369 0.300 . 1 . . . . 46 ILE CA . 10146 1 407 . 1 1 46 46 ILE HA H 1 5.182 0.030 . 1 . . . . 46 ILE HA . 10146 1 408 . 1 1 46 46 ILE CB C 13 40.879 0.300 . 1 . . . . 46 ILE CB . 10146 1 409 . 1 1 46 46 ILE HB H 1 1.740 0.030 . 1 . . . . 46 ILE HB . 10146 1 410 . 1 1 46 46 ILE CG1 C 13 29.081 0.300 . 1 . . . . 46 ILE CG1 . 10146 1 411 . 1 1 46 46 ILE HG12 H 1 1.459 0.030 . 2 . . . . 46 ILE HG12 . 10146 1 412 . 1 1 46 46 ILE HG13 H 1 1.247 0.030 . 2 . . . . 46 ILE HG13 . 10146 1 413 . 1 1 46 46 ILE CG2 C 13 18.504 0.300 . 1 . . . . 46 ILE CG2 . 10146 1 414 . 1 1 46 46 ILE HG21 H 1 0.897 0.030 . 1 . . . . 46 ILE HG2 . 10146 1 415 . 1 1 46 46 ILE HG22 H 1 0.897 0.030 . 1 . . . . 46 ILE HG2 . 10146 1 416 . 1 1 46 46 ILE HG23 H 1 0.897 0.030 . 1 . . . . 46 ILE HG2 . 10146 1 417 . 1 1 46 46 ILE CD1 C 13 15.343 0.300 . 1 . . . . 46 ILE CD1 . 10146 1 418 . 1 1 46 46 ILE HD11 H 1 0.819 0.030 . 1 . . . . 46 ILE HD1 . 10146 1 419 . 1 1 46 46 ILE HD12 H 1 0.819 0.030 . 1 . . . . 46 ILE HD1 . 10146 1 420 . 1 1 46 46 ILE HD13 H 1 0.819 0.030 . 1 . . . . 46 ILE HD1 . 10146 1 421 . 1 1 46 46 ILE C C 13 174.318 0.300 . 1 . . . . 46 ILE C . 10146 1 422 . 1 1 47 47 ALA N N 15 128.948 0.300 . 1 . . . . 47 ALA N . 10146 1 423 . 1 1 47 47 ALA H H 1 8.762 0.030 . 1 . . . . 47 ALA H . 10146 1 424 . 1 1 47 47 ALA CA C 13 51.123 0.300 . 1 . . . . 47 ALA CA . 10146 1 425 . 1 1 47 47 ALA HA H 1 4.724 0.030 . 1 . . . . 47 ALA HA . 10146 1 426 . 1 1 47 47 ALA CB C 13 22.575 0.300 . 1 . . . . 47 ALA CB . 10146 1 427 . 1 1 47 47 ALA HB1 H 1 1.379 0.030 . 1 . . . . 47 ALA HB . 10146 1 428 . 1 1 47 47 ALA HB2 H 1 1.379 0.030 . 1 . . . . 47 ALA HB . 10146 1 429 . 1 1 47 47 ALA HB3 H 1 1.379 0.030 . 1 . . . . 47 ALA HB . 10146 1 430 . 1 1 47 47 ALA C C 13 175.131 0.300 . 1 . . . . 47 ALA C . 10146 1 431 . 1 1 48 48 VAL N N 15 121.512 0.300 . 1 . . . . 48 VAL N . 10146 1 432 . 1 1 48 48 VAL H H 1 8.640 0.030 . 1 . . . . 48 VAL H . 10146 1 433 . 1 1 48 48 VAL CA C 13 61.770 0.300 . 1 . . . . 48 VAL CA . 10146 1 434 . 1 1 48 48 VAL HA H 1 4.749 0.030 . 1 . . . . 48 VAL HA . 10146 1 435 . 1 1 48 48 VAL CB C 13 33.642 0.300 . 1 . . . . 48 VAL CB . 10146 1 436 . 1 1 48 48 VAL HB H 1 1.696 0.030 . 1 . . . . 48 VAL HB . 10146 1 437 . 1 1 48 48 VAL CG1 C 13 21.264 0.300 . 2 . . . . 48 VAL CG1 . 10146 1 438 . 1 1 48 48 VAL HG11 H 1 0.405 0.030 . 1 . . . . 48 VAL HG1 . 10146 1 439 . 1 1 48 48 VAL HG12 H 1 0.405 0.030 . 1 . . . . 48 VAL HG1 . 10146 1 440 . 1 1 48 48 VAL HG13 H 1 0.405 0.030 . 1 . . . . 48 VAL HG1 . 10146 1 441 . 1 1 48 48 VAL CG2 C 13 19.931 0.300 . 2 . . . . 48 VAL CG2 . 10146 1 442 . 1 1 48 48 VAL HG21 H 1 0.412 0.030 . 1 . . . . 48 VAL HG2 . 10146 1 443 . 1 1 48 48 VAL HG22 H 1 0.412 0.030 . 1 . . . . 48 VAL HG2 . 10146 1 444 . 1 1 48 48 VAL HG23 H 1 0.412 0.030 . 1 . . . . 48 VAL HG2 . 10146 1 445 . 1 1 48 48 VAL C C 13 174.870 0.300 . 1 . . . . 48 VAL C . 10146 1 446 . 1 1 49 49 GLU N N 15 126.757 0.300 . 1 . . . . 49 GLU N . 10146 1 447 . 1 1 49 49 GLU H H 1 8.898 0.030 . 1 . . . . 49 GLU H . 10146 1 448 . 1 1 49 49 GLU CA C 13 54.457 0.300 . 1 . . . . 49 GLU CA . 10146 1 449 . 1 1 49 49 GLU HA H 1 5.003 0.030 . 1 . . . . 49 GLU HA . 10146 1 450 . 1 1 49 49 GLU CB C 13 33.209 0.300 . 1 . . . . 49 GLU CB . 10146 1 451 . 1 1 49 49 GLU HB2 H 1 1.906 0.030 . 2 . . . . 49 GLU HB2 . 10146 1 452 . 1 1 49 49 GLU HB3 H 1 2.096 0.030 . 2 . . . . 49 GLU HB3 . 10146 1 453 . 1 1 49 49 GLU CG C 13 35.970 0.300 . 1 . . . . 49 GLU CG . 10146 1 454 . 1 1 49 49 GLU HG2 H 1 2.213 0.030 . 2 . . . . 49 GLU HG2 . 10146 1 455 . 1 1 49 49 GLU HG3 H 1 2.263 0.030 . 2 . . . . 49 GLU HG3 . 10146 1 456 . 1 1 49 49 GLU C C 13 175.282 0.300 . 1 . . . . 49 GLU C . 10146 1 457 . 1 1 50 50 GLY N N 15 112.668 0.300 . 1 . . . . 50 GLY N . 10146 1 458 . 1 1 50 50 GLY H H 1 8.563 0.030 . 1 . . . . 50 GLY H . 10146 1 459 . 1 1 50 50 GLY CA C 13 45.534 0.300 . 1 . . . . 50 GLY CA . 10146 1 460 . 1 1 50 50 GLY HA2 H 1 3.481 0.030 . 2 . . . . 50 GLY HA2 . 10146 1 461 . 1 1 50 50 GLY HA3 H 1 3.836 0.030 . 2 . . . . 50 GLY HA3 . 10146 1 462 . 1 1 50 50 GLY C C 13 171.670 0.300 . 1 . . . . 50 GLY C . 10146 1 463 . 1 1 51 51 PRO CA C 13 64.371 0.300 . 1 . . . . 51 PRO CA . 10146 1 464 . 1 1 51 51 PRO HA H 1 4.309 0.030 . 1 . . . . 51 PRO HA . 10146 1 465 . 1 1 51 51 PRO CB C 13 32.183 0.300 . 1 . . . . 51 PRO CB . 10146 1 466 . 1 1 51 51 PRO HB2 H 1 1.959 0.030 . 2 . . . . 51 PRO HB2 . 10146 1 467 . 1 1 51 51 PRO HB3 H 1 2.263 0.030 . 2 . . . . 51 PRO HB3 . 10146 1 468 . 1 1 51 51 PRO CG C 13 26.829 0.300 . 1 . . . . 51 PRO CG . 10146 1 469 . 1 1 51 51 PRO HG2 H 1 1.888 0.030 . 2 . . . . 51 PRO HG2 . 10146 1 470 . 1 1 51 51 PRO HG3 H 1 1.719 0.030 . 2 . . . . 51 PRO HG3 . 10146 1 471 . 1 1 51 51 PRO CD C 13 49.461 0.300 . 1 . . . . 51 PRO CD . 10146 1 472 . 1 1 51 51 PRO HD2 H 1 2.979 0.030 . 2 . . . . 51 PRO HD2 . 10146 1 473 . 1 1 51 51 PRO HD3 H 1 2.080 0.030 . 2 . . . . 51 PRO HD3 . 10146 1 474 . 1 1 51 51 PRO C C 13 175.938 0.300 . 1 . . . . 51 PRO C . 10146 1 475 . 1 1 52 52 SER N N 15 109.776 0.300 . 1 . . . . 52 SER N . 10146 1 476 . 1 1 52 52 SER H H 1 7.281 0.030 . 1 . . . . 52 SER H . 10146 1 477 . 1 1 52 52 SER CA C 13 56.747 0.300 . 1 . . . . 52 SER CA . 10146 1 478 . 1 1 52 52 SER HA H 1 4.688 0.030 . 1 . . . . 52 SER HA . 10146 1 479 . 1 1 52 52 SER CB C 13 65.901 0.300 . 1 . . . . 52 SER CB . 10146 1 480 . 1 1 52 52 SER HB2 H 1 3.888 0.030 . 2 . . . . 52 SER HB2 . 10146 1 481 . 1 1 52 52 SER HB3 H 1 3.994 0.030 . 2 . . . . 52 SER HB3 . 10146 1 482 . 1 1 52 52 SER C C 13 172.748 0.300 . 1 . . . . 52 SER C . 10146 1 483 . 1 1 53 53 LYS N N 15 121.441 0.300 . 1 . . . . 53 LYS N . 10146 1 484 . 1 1 53 53 LYS H H 1 8.607 0.030 . 1 . . . . 53 LYS H . 10146 1 485 . 1 1 53 53 LYS CA C 13 56.641 0.300 . 1 . . . . 53 LYS CA . 10146 1 486 . 1 1 53 53 LYS HA H 1 4.391 0.030 . 1 . . . . 53 LYS HA . 10146 1 487 . 1 1 53 53 LYS CB C 13 32.323 0.300 . 1 . . . . 53 LYS CB . 10146 1 488 . 1 1 53 53 LYS HB2 H 1 1.859 0.030 . 1 . . . . 53 LYS HB2 . 10146 1 489 . 1 1 53 53 LYS HB3 H 1 1.859 0.030 . 1 . . . . 53 LYS HB3 . 10146 1 490 . 1 1 53 53 LYS CG C 13 24.799 0.300 . 1 . . . . 53 LYS CG . 10146 1 491 . 1 1 53 53 LYS HG2 H 1 1.432 0.030 . 2 . . . . 53 LYS HG2 . 10146 1 492 . 1 1 53 53 LYS HG3 H 1 1.524 0.030 . 2 . . . . 53 LYS HG3 . 10146 1 493 . 1 1 53 53 LYS CD C 13 29.212 0.300 . 1 . . . . 53 LYS CD . 10146 1 494 . 1 1 53 53 LYS HD2 H 1 1.763 0.030 . 1 . . . . 53 LYS HD2 . 10146 1 495 . 1 1 53 53 LYS HD3 H 1 1.763 0.030 . 1 . . . . 53 LYS HD3 . 10146 1 496 . 1 1 53 53 LYS CE C 13 42.250 0.300 . 1 . . . . 53 LYS CE . 10146 1 497 . 1 1 53 53 LYS HE2 H 1 3.058 0.030 . 1 . . . . 53 LYS HE2 . 10146 1 498 . 1 1 53 53 LYS HE3 H 1 3.058 0.030 . 1 . . . . 53 LYS HE3 . 10146 1 499 . 1 1 53 53 LYS C C 13 175.721 0.300 . 1 . . . . 53 LYS C . 10146 1 500 . 1 1 54 54 ALA N N 15 129.914 0.300 . 1 . . . . 54 ALA N . 10146 1 501 . 1 1 54 54 ALA H H 1 8.941 0.030 . 1 . . . . 54 ALA H . 10146 1 502 . 1 1 54 54 ALA CA C 13 50.924 0.300 . 1 . . . . 54 ALA CA . 10146 1 503 . 1 1 54 54 ALA HA H 1 4.962 0.030 . 1 . . . . 54 ALA HA . 10146 1 504 . 1 1 54 54 ALA CB C 13 20.004 0.300 . 1 . . . . 54 ALA CB . 10146 1 505 . 1 1 54 54 ALA HB1 H 1 1.136 0.030 . 1 . . . . 54 ALA HB . 10146 1 506 . 1 1 54 54 ALA HB2 H 1 1.136 0.030 . 1 . . . . 54 ALA HB . 10146 1 507 . 1 1 54 54 ALA HB3 H 1 1.136 0.030 . 1 . . . . 54 ALA HB . 10146 1 508 . 1 1 54 54 ALA C C 13 176.618 0.300 . 1 . . . . 54 ALA C . 10146 1 509 . 1 1 55 55 GLU N N 15 122.179 0.300 . 1 . . . . 55 GLU N . 10146 1 510 . 1 1 55 55 GLU H H 1 8.153 0.030 . 1 . . . . 55 GLU H . 10146 1 511 . 1 1 55 55 GLU CA C 13 55.689 0.300 . 1 . . . . 55 GLU CA . 10146 1 512 . 1 1 55 55 GLU HA H 1 4.569 0.030 . 1 . . . . 55 GLU HA . 10146 1 513 . 1 1 55 55 GLU CB C 13 31.003 0.300 . 1 . . . . 55 GLU CB . 10146 1 514 . 1 1 55 55 GLU HB2 H 1 1.917 0.030 . 2 . . . . 55 GLU HB2 . 10146 1 515 . 1 1 55 55 GLU HB3 H 1 2.024 0.030 . 2 . . . . 55 GLU HB3 . 10146 1 516 . 1 1 55 55 GLU CG C 13 35.868 0.300 . 1 . . . . 55 GLU CG . 10146 1 517 . 1 1 55 55 GLU HG2 H 1 2.214 0.030 . 2 . . . . 55 GLU HG2 . 10146 1 518 . 1 1 55 55 GLU HG3 H 1 2.297 0.030 . 2 . . . . 55 GLU HG3 . 10146 1 519 . 1 1 55 55 GLU C C 13 176.867 0.300 . 1 . . . . 55 GLU C . 10146 1 520 . 1 1 56 56 ILE N N 15 127.733 0.300 . 1 . . . . 56 ILE N . 10146 1 521 . 1 1 56 56 ILE H H 1 8.948 0.030 . 1 . . . . 56 ILE H . 10146 1 522 . 1 1 56 56 ILE CA C 13 61.345 0.300 . 1 . . . . 56 ILE CA . 10146 1 523 . 1 1 56 56 ILE HA H 1 4.744 0.030 . 1 . . . . 56 ILE HA . 10146 1 524 . 1 1 56 56 ILE CB C 13 40.978 0.300 . 1 . . . . 56 ILE CB . 10146 1 525 . 1 1 56 56 ILE HB H 1 1.685 0.030 . 1 . . . . 56 ILE HB . 10146 1 526 . 1 1 56 56 ILE CG1 C 13 27.932 0.300 . 1 . . . . 56 ILE CG1 . 10146 1 527 . 1 1 56 56 ILE HG12 H 1 1.615 0.030 . 2 . . . . 56 ILE HG12 . 10146 1 528 . 1 1 56 56 ILE HG13 H 1 0.727 0.030 . 2 . . . . 56 ILE HG13 . 10146 1 529 . 1 1 56 56 ILE CG2 C 13 17.839 0.300 . 1 . . . . 56 ILE CG2 . 10146 1 530 . 1 1 56 56 ILE HG21 H 1 0.711 0.030 . 1 . . . . 56 ILE HG2 . 10146 1 531 . 1 1 56 56 ILE HG22 H 1 0.711 0.030 . 1 . . . . 56 ILE HG2 . 10146 1 532 . 1 1 56 56 ILE HG23 H 1 0.711 0.030 . 1 . . . . 56 ILE HG2 . 10146 1 533 . 1 1 56 56 ILE CD1 C 13 14.781 0.300 . 1 . . . . 56 ILE CD1 . 10146 1 534 . 1 1 56 56 ILE HD11 H 1 0.869 0.030 . 1 . . . . 56 ILE HD1 . 10146 1 535 . 1 1 56 56 ILE HD12 H 1 0.869 0.030 . 1 . . . . 56 ILE HD1 . 10146 1 536 . 1 1 56 56 ILE HD13 H 1 0.869 0.030 . 1 . . . . 56 ILE HD1 . 10146 1 537 . 1 1 56 56 ILE C C 13 175.675 0.300 . 1 . . . . 56 ILE C . 10146 1 538 . 1 1 57 57 THR N N 15 124.172 0.300 . 1 . . . . 57 THR N . 10146 1 539 . 1 1 57 57 THR H H 1 9.410 0.030 . 1 . . . . 57 THR H . 10146 1 540 . 1 1 57 57 THR CA C 13 61.999 0.300 . 1 . . . . 57 THR CA . 10146 1 541 . 1 1 57 57 THR HA H 1 4.504 0.030 . 1 . . . . 57 THR HA . 10146 1 542 . 1 1 57 57 THR CB C 13 70.660 0.300 . 1 . . . . 57 THR CB . 10146 1 543 . 1 1 57 57 THR HB H 1 4.027 0.030 . 1 . . . . 57 THR HB . 10146 1 544 . 1 1 57 57 THR CG2 C 13 21.193 0.300 . 1 . . . . 57 THR CG2 . 10146 1 545 . 1 1 57 57 THR HG21 H 1 1.119 0.030 . 1 . . . . 57 THR HG2 . 10146 1 546 . 1 1 57 57 THR HG22 H 1 1.119 0.030 . 1 . . . . 57 THR HG2 . 10146 1 547 . 1 1 57 57 THR HG23 H 1 1.119 0.030 . 1 . . . . 57 THR HG2 . 10146 1 548 . 1 1 57 57 THR C C 13 172.131 0.300 . 1 . . . . 57 THR C . 10146 1 549 . 1 1 58 58 PHE N N 15 126.429 0.300 . 1 . . . . 58 PHE N . 10146 1 550 . 1 1 58 58 PHE H H 1 8.796 0.030 . 1 . . . . 58 PHE H . 10146 1 551 . 1 1 58 58 PHE CA C 13 56.680 0.300 . 1 . . . . 58 PHE CA . 10146 1 552 . 1 1 58 58 PHE HA H 1 4.981 0.030 . 1 . . . . 58 PHE HA . 10146 1 553 . 1 1 58 58 PHE CB C 13 42.400 0.300 . 1 . . . . 58 PHE CB . 10146 1 554 . 1 1 58 58 PHE HB2 H 1 2.782 0.030 . 2 . . . . 58 PHE HB2 . 10146 1 555 . 1 1 58 58 PHE HB3 H 1 2.972 0.030 . 2 . . . . 58 PHE HB3 . 10146 1 556 . 1 1 58 58 PHE CD1 C 13 131.845 0.300 . 1 . . . . 58 PHE CD1 . 10146 1 557 . 1 1 58 58 PHE HD1 H 1 7.059 0.030 . 1 . . . . 58 PHE HD1 . 10146 1 558 . 1 1 58 58 PHE CD2 C 13 131.845 0.300 . 1 . . . . 58 PHE CD2 . 10146 1 559 . 1 1 58 58 PHE HD2 H 1 7.059 0.030 . 1 . . . . 58 PHE HD2 . 10146 1 560 . 1 1 58 58 PHE CE1 C 13 131.003 0.300 . 1 . . . . 58 PHE CE1 . 10146 1 561 . 1 1 58 58 PHE HE1 H 1 7.173 0.030 . 1 . . . . 58 PHE HE1 . 10146 1 562 . 1 1 58 58 PHE CE2 C 13 131.003 0.300 . 1 . . . . 58 PHE CE2 . 10146 1 563 . 1 1 58 58 PHE HE2 H 1 7.173 0.030 . 1 . . . . 58 PHE HE2 . 10146 1 564 . 1 1 58 58 PHE CZ C 13 129.888 0.300 . 1 . . . . 58 PHE CZ . 10146 1 565 . 1 1 58 58 PHE HZ H 1 7.324 0.030 . 1 . . . . 58 PHE HZ . 10146 1 566 . 1 1 58 58 PHE C C 13 173.719 0.300 . 1 . . . . 58 PHE C . 10146 1 567 . 1 1 59 59 ASP N N 15 126.210 0.300 . 1 . . . . 59 ASP N . 10146 1 568 . 1 1 59 59 ASP H H 1 8.707 0.030 . 1 . . . . 59 ASP H . 10146 1 569 . 1 1 59 59 ASP CA C 13 52.784 0.300 . 1 . . . . 59 ASP CA . 10146 1 570 . 1 1 59 59 ASP HA H 1 4.677 0.030 . 1 . . . . 59 ASP HA . 10146 1 571 . 1 1 59 59 ASP CB C 13 42.738 0.300 . 1 . . . . 59 ASP CB . 10146 1 572 . 1 1 59 59 ASP HB2 H 1 2.217 0.030 . 2 . . . . 59 ASP HB2 . 10146 1 573 . 1 1 59 59 ASP HB3 H 1 2.376 0.030 . 2 . . . . 59 ASP HB3 . 10146 1 574 . 1 1 59 59 ASP C C 13 173.710 0.300 . 1 . . . . 59 ASP C . 10146 1 575 . 1 1 60 60 ASP N N 15 123.675 0.300 . 1 . . . . 60 ASP N . 10146 1 576 . 1 1 60 60 ASP H H 1 8.490 0.030 . 1 . . . . 60 ASP H . 10146 1 577 . 1 1 60 60 ASP CA C 13 53.871 0.300 . 1 . . . . 60 ASP CA . 10146 1 578 . 1 1 60 60 ASP HA H 1 4.447 0.030 . 1 . . . . 60 ASP HA . 10146 1 579 . 1 1 60 60 ASP CB C 13 41.108 0.300 . 1 . . . . 60 ASP CB . 10146 1 580 . 1 1 60 60 ASP HB2 H 1 2.823 0.030 . 2 . . . . 60 ASP HB2 . 10146 1 581 . 1 1 60 60 ASP HB3 H 1 2.553 0.030 . 2 . . . . 60 ASP HB3 . 10146 1 582 . 1 1 60 60 ASP C C 13 176.691 0.300 . 1 . . . . 60 ASP C . 10146 1 583 . 1 1 61 61 HIS N N 15 124.385 0.300 . 1 . . . . 61 HIS N . 10146 1 584 . 1 1 61 61 HIS H H 1 8.122 0.030 . 1 . . . . 61 HIS H . 10146 1 585 . 1 1 61 61 HIS CA C 13 55.608 0.300 . 1 . . . . 61 HIS CA . 10146 1 586 . 1 1 61 61 HIS HA H 1 4.769 0.030 . 1 . . . . 61 HIS HA . 10146 1 587 . 1 1 61 61 HIS CB C 13 28.607 0.300 . 1 . . . . 61 HIS CB . 10146 1 588 . 1 1 61 61 HIS HB2 H 1 3.131 0.030 . 2 . . . . 61 HIS HB2 . 10146 1 589 . 1 1 61 61 HIS HB3 H 1 3.304 0.030 . 2 . . . . 61 HIS HB3 . 10146 1 590 . 1 1 61 61 HIS CD2 C 13 119.782 0.300 . 1 . . . . 61 HIS CD2 . 10146 1 591 . 1 1 61 61 HIS HD2 H 1 7.021 0.030 . 1 . . . . 61 HIS HD2 . 10146 1 592 . 1 1 61 61 HIS CE1 C 13 138.349 0.300 . 1 . . . . 61 HIS CE1 . 10146 1 593 . 1 1 61 61 HIS HE1 H 1 7.874 0.030 . 1 . . . . 61 HIS HE1 . 10146 1 594 . 1 1 61 61 HIS C C 13 175.701 0.300 . 1 . . . . 61 HIS C . 10146 1 595 . 1 1 62 62 LYS N N 15 115.195 0.300 . 1 . . . . 62 LYS N . 10146 1 596 . 1 1 62 62 LYS H H 1 9.178 0.030 . 1 . . . . 62 LYS H . 10146 1 597 . 1 1 62 62 LYS CA C 13 57.585 0.300 . 1 . . . . 62 LYS CA . 10146 1 598 . 1 1 62 62 LYS HA H 1 4.028 0.030 . 1 . . . . 62 LYS HA . 10146 1 599 . 1 1 62 62 LYS CB C 13 29.373 0.300 . 1 . . . . 62 LYS CB . 10146 1 600 . 1 1 62 62 LYS HB2 H 1 1.963 0.030 . 2 . . . . 62 LYS HB2 . 10146 1 601 . 1 1 62 62 LYS HB3 H 1 2.082 0.030 . 2 . . . . 62 LYS HB3 . 10146 1 602 . 1 1 62 62 LYS CG C 13 24.783 0.300 . 1 . . . . 62 LYS CG . 10146 1 603 . 1 1 62 62 LYS HG2 H 1 1.285 0.030 . 2 . . . . 62 LYS HG2 . 10146 1 604 . 1 1 62 62 LYS HG3 H 1 1.351 0.030 . 2 . . . . 62 LYS HG3 . 10146 1 605 . 1 1 62 62 LYS CD C 13 28.754 0.300 . 1 . . . . 62 LYS CD . 10146 1 606 . 1 1 62 62 LYS HD2 H 1 1.686 0.030 . 2 . . . . 62 LYS HD2 . 10146 1 607 . 1 1 62 62 LYS HD3 H 1 1.613 0.030 . 2 . . . . 62 LYS HD3 . 10146 1 608 . 1 1 62 62 LYS CE C 13 42.240 0.300 . 1 . . . . 62 LYS CE . 10146 1 609 . 1 1 62 62 LYS HE2 H 1 2.997 0.030 . 1 . . . . 62 LYS HE2 . 10146 1 610 . 1 1 62 62 LYS HE3 H 1 2.997 0.030 . 1 . . . . 62 LYS HE3 . 10146 1 611 . 1 1 63 63 ASN N N 15 116.167 0.300 . 1 . . . . 63 ASN N . 10146 1 612 . 1 1 63 63 ASN H H 1 7.900 0.030 . 1 . . . . 63 ASN H . 10146 1 613 . 1 1 63 63 ASN CA C 13 52.056 0.300 . 1 . . . . 63 ASN CA . 10146 1 614 . 1 1 63 63 ASN HA H 1 4.835 0.030 . 1 . . . . 63 ASN HA . 10146 1 615 . 1 1 63 63 ASN CB C 13 38.468 0.300 . 1 . . . . 63 ASN CB . 10146 1 616 . 1 1 63 63 ASN HB2 H 1 2.744 0.030 . 2 . . . . 63 ASN HB2 . 10146 1 617 . 1 1 63 63 ASN HB3 H 1 3.214 0.030 . 2 . . . . 63 ASN HB3 . 10146 1 618 . 1 1 63 63 ASN ND2 N 15 110.992 0.300 . 1 . . . . 63 ASN ND2 . 10146 1 619 . 1 1 63 63 ASN HD21 H 1 7.655 0.030 . 2 . . . . 63 ASN HD21 . 10146 1 620 . 1 1 63 63 ASN HD22 H 1 6.998 0.030 . 2 . . . . 63 ASN HD22 . 10146 1 621 . 1 1 63 63 ASN C C 13 176.634 0.300 . 1 . . . . 63 ASN C . 10146 1 622 . 1 1 64 64 GLY N N 15 108.877 0.300 . 1 . . . . 64 GLY N . 10146 1 623 . 1 1 64 64 GLY H H 1 8.718 0.030 . 1 . . . . 64 GLY H . 10146 1 624 . 1 1 64 64 GLY CA C 13 45.534 0.300 . 1 . . . . 64 GLY CA . 10146 1 625 . 1 1 64 64 GLY HA2 H 1 3.619 0.030 . 2 . . . . 64 GLY HA2 . 10146 1 626 . 1 1 64 64 GLY HA3 H 1 4.247 0.030 . 2 . . . . 64 GLY HA3 . 10146 1 627 . 1 1 65 65 SER N N 15 115.229 0.300 . 1 . . . . 65 SER N . 10146 1 628 . 1 1 65 65 SER H H 1 7.962 0.030 . 1 . . . . 65 SER H . 10146 1 629 . 1 1 65 65 SER CA C 13 57.108 0.300 . 1 . . . . 65 SER CA . 10146 1 630 . 1 1 65 65 SER HA H 1 5.531 0.030 . 1 . . . . 65 SER HA . 10146 1 631 . 1 1 65 65 SER CB C 13 67.290 0.300 . 1 . . . . 65 SER CB . 10146 1 632 . 1 1 65 65 SER HB2 H 1 3.920 0.030 . 2 . . . . 65 SER HB2 . 10146 1 633 . 1 1 65 65 SER HB3 H 1 3.638 0.030 . 2 . . . . 65 SER HB3 . 10146 1 634 . 1 1 66 66 CYS N N 15 118.007 0.300 . 1 . . . . 66 CYS N . 10146 1 635 . 1 1 66 66 CYS H H 1 8.807 0.030 . 1 . . . . 66 CYS H . 10146 1 636 . 1 1 66 66 CYS CA C 13 56.476 0.300 . 1 . . . . 66 CYS CA . 10146 1 637 . 1 1 66 66 CYS HA H 1 4.672 0.030 . 1 . . . . 66 CYS HA . 10146 1 638 . 1 1 66 66 CYS CB C 13 31.077 0.300 . 1 . . . . 66 CYS CB . 10146 1 639 . 1 1 66 66 CYS HB2 H 1 2.352 0.030 . 2 . . . . 66 CYS HB2 . 10146 1 640 . 1 1 66 66 CYS HB3 H 1 2.472 0.030 . 2 . . . . 66 CYS HB3 . 10146 1 641 . 1 1 67 67 GLY N N 15 112.448 0.300 . 1 . . . . 67 GLY N . 10146 1 642 . 1 1 67 67 GLY H H 1 8.679 0.030 . 1 . . . . 67 GLY H . 10146 1 643 . 1 1 67 67 GLY CA C 13 45.004 0.300 . 1 . . . . 67 GLY CA . 10146 1 644 . 1 1 67 67 GLY HA2 H 1 3.629 0.030 . 2 . . . . 67 GLY HA2 . 10146 1 645 . 1 1 67 67 GLY HA3 H 1 4.645 0.030 . 2 . . . . 67 GLY HA3 . 10146 1 646 . 1 1 67 67 GLY C C 13 171.754 0.300 . 1 . . . . 67 GLY C . 10146 1 647 . 1 1 68 68 VAL N N 15 123.840 0.300 . 1 . . . . 68 VAL N . 10146 1 648 . 1 1 68 68 VAL H H 1 8.486 0.030 . 1 . . . . 68 VAL H . 10146 1 649 . 1 1 68 68 VAL CA C 13 60.143 0.300 . 1 . . . . 68 VAL CA . 10146 1 650 . 1 1 68 68 VAL HA H 1 4.579 0.030 . 1 . . . . 68 VAL HA . 10146 1 651 . 1 1 68 68 VAL CB C 13 33.946 0.300 . 1 . . . . 68 VAL CB . 10146 1 652 . 1 1 68 68 VAL HB H 1 -0.045 0.030 . 1 . . . . 68 VAL HB . 10146 1 653 . 1 1 68 68 VAL CG1 C 13 22.945 0.300 . 2 . . . . 68 VAL CG1 . 10146 1 654 . 1 1 68 68 VAL HG11 H 1 0.577 0.030 . 1 . . . . 68 VAL HG1 . 10146 1 655 . 1 1 68 68 VAL HG12 H 1 0.577 0.030 . 1 . . . . 68 VAL HG1 . 10146 1 656 . 1 1 68 68 VAL HG13 H 1 0.577 0.030 . 1 . . . . 68 VAL HG1 . 10146 1 657 . 1 1 68 68 VAL CG2 C 13 22.320 0.300 . 2 . . . . 68 VAL CG2 . 10146 1 658 . 1 1 68 68 VAL HG21 H 1 0.499 0.030 . 1 . . . . 68 VAL HG2 . 10146 1 659 . 1 1 68 68 VAL HG22 H 1 0.499 0.030 . 1 . . . . 68 VAL HG2 . 10146 1 660 . 1 1 68 68 VAL HG23 H 1 0.499 0.030 . 1 . . . . 68 VAL HG2 . 10146 1 661 . 1 1 68 68 VAL C C 13 174.396 0.300 . 1 . . . . 68 VAL C . 10146 1 662 . 1 1 69 69 SER N N 15 119.414 0.300 . 1 . . . . 69 SER N . 10146 1 663 . 1 1 69 69 SER H H 1 8.450 0.030 . 1 . . . . 69 SER H . 10146 1 664 . 1 1 69 69 SER CA C 13 56.169 0.300 . 1 . . . . 69 SER CA . 10146 1 665 . 1 1 69 69 SER HA H 1 5.442 0.030 . 1 . . . . 69 SER HA . 10146 1 666 . 1 1 69 69 SER CB C 13 65.640 0.300 . 1 . . . . 69 SER CB . 10146 1 667 . 1 1 69 69 SER HB2 H 1 3.442 0.030 . 2 . . . . 69 SER HB2 . 10146 1 668 . 1 1 69 69 SER HB3 H 1 3.585 0.030 . 2 . . . . 69 SER HB3 . 10146 1 669 . 1 1 69 69 SER C C 13 173.189 0.300 . 1 . . . . 69 SER C . 10146 1 670 . 1 1 70 70 TYR N N 15 119.504 0.300 . 1 . . . . 70 TYR N . 10146 1 671 . 1 1 70 70 TYR H H 1 8.771 0.030 . 1 . . . . 70 TYR H . 10146 1 672 . 1 1 70 70 TYR CA C 13 54.962 0.300 . 1 . . . . 70 TYR CA . 10146 1 673 . 1 1 70 70 TYR HA H 1 5.922 0.030 . 1 . . . . 70 TYR HA . 10146 1 674 . 1 1 70 70 TYR CB C 13 42.710 0.300 . 1 . . . . 70 TYR CB . 10146 1 675 . 1 1 70 70 TYR HB2 H 1 2.611 0.030 . 1 . . . . 70 TYR HB2 . 10146 1 676 . 1 1 70 70 TYR HB3 H 1 2.611 0.030 . 1 . . . . 70 TYR HB3 . 10146 1 677 . 1 1 70 70 TYR CD1 C 13 132.598 0.300 . 1 . . . . 70 TYR CD1 . 10146 1 678 . 1 1 70 70 TYR HD1 H 1 6.517 0.030 . 1 . . . . 70 TYR HD1 . 10146 1 679 . 1 1 70 70 TYR CD2 C 13 132.598 0.300 . 1 . . . . 70 TYR CD2 . 10146 1 680 . 1 1 70 70 TYR HD2 H 1 6.517 0.030 . 1 . . . . 70 TYR HD2 . 10146 1 681 . 1 1 70 70 TYR CE1 C 13 117.011 0.300 . 1 . . . . 70 TYR CE1 . 10146 1 682 . 1 1 70 70 TYR HE1 H 1 6.216 0.030 . 1 . . . . 70 TYR HE1 . 10146 1 683 . 1 1 70 70 TYR CE2 C 13 117.011 0.300 . 1 . . . . 70 TYR CE2 . 10146 1 684 . 1 1 70 70 TYR HE2 H 1 6.216 0.030 . 1 . . . . 70 TYR HE2 . 10146 1 685 . 1 1 70 70 TYR C C 13 173.056 0.300 . 1 . . . . 70 TYR C . 10146 1 686 . 1 1 71 71 ILE N N 15 117.727 0.300 . 1 . . . . 71 ILE N . 10146 1 687 . 1 1 71 71 ILE H H 1 8.196 0.030 . 1 . . . . 71 ILE H . 10146 1 688 . 1 1 71 71 ILE CA C 13 60.132 0.300 . 1 . . . . 71 ILE CA . 10146 1 689 . 1 1 71 71 ILE HA H 1 4.161 0.030 . 1 . . . . 71 ILE HA . 10146 1 690 . 1 1 71 71 ILE CB C 13 40.790 0.300 . 1 . . . . 71 ILE CB . 10146 1 691 . 1 1 71 71 ILE HB H 1 1.553 0.030 . 1 . . . . 71 ILE HB . 10146 1 692 . 1 1 71 71 ILE CG1 C 13 27.636 0.300 . 1 . . . . 71 ILE CG1 . 10146 1 693 . 1 1 71 71 ILE HG12 H 1 1.471 0.030 . 2 . . . . 71 ILE HG12 . 10146 1 694 . 1 1 71 71 ILE HG13 H 1 0.401 0.030 . 2 . . . . 71 ILE HG13 . 10146 1 695 . 1 1 71 71 ILE CG2 C 13 17.738 0.300 . 1 . . . . 71 ILE CG2 . 10146 1 696 . 1 1 71 71 ILE HG21 H 1 0.570 0.030 . 1 . . . . 71 ILE HG2 . 10146 1 697 . 1 1 71 71 ILE HG22 H 1 0.570 0.030 . 1 . . . . 71 ILE HG2 . 10146 1 698 . 1 1 71 71 ILE HG23 H 1 0.570 0.030 . 1 . . . . 71 ILE HG2 . 10146 1 699 . 1 1 71 71 ILE CD1 C 13 13.650 0.300 . 1 . . . . 71 ILE CD1 . 10146 1 700 . 1 1 71 71 ILE HD11 H 1 0.720 0.030 . 1 . . . . 71 ILE HD1 . 10146 1 701 . 1 1 71 71 ILE HD12 H 1 0.720 0.030 . 1 . . . . 71 ILE HD1 . 10146 1 702 . 1 1 71 71 ILE HD13 H 1 0.720 0.030 . 1 . . . . 71 ILE HD1 . 10146 1 703 . 1 1 71 71 ILE C C 13 175.114 0.300 . 1 . . . . 71 ILE C . 10146 1 704 . 1 1 72 72 ALA N N 15 133.145 0.300 . 1 . . . . 72 ALA N . 10146 1 705 . 1 1 72 72 ALA H H 1 9.466 0.030 . 1 . . . . 72 ALA H . 10146 1 706 . 1 1 72 72 ALA CA C 13 50.261 0.300 . 1 . . . . 72 ALA CA . 10146 1 707 . 1 1 72 72 ALA HA H 1 4.567 0.030 . 1 . . . . 72 ALA HA . 10146 1 708 . 1 1 72 72 ALA CB C 13 19.699 0.300 . 1 . . . . 72 ALA CB . 10146 1 709 . 1 1 72 72 ALA HB1 H 1 0.767 0.030 . 1 . . . . 72 ALA HB . 10146 1 710 . 1 1 72 72 ALA HB2 H 1 0.767 0.030 . 1 . . . . 72 ALA HB . 10146 1 711 . 1 1 72 72 ALA HB3 H 1 0.767 0.030 . 1 . . . . 72 ALA HB . 10146 1 712 . 1 1 72 72 ALA C C 13 177.170 0.300 . 1 . . . . 72 ALA C . 10146 1 713 . 1 1 73 73 GLN N N 15 120.464 0.300 . 1 . . . . 73 GLN N . 10146 1 714 . 1 1 73 73 GLN H H 1 8.649 0.030 . 1 . . . . 73 GLN H . 10146 1 715 . 1 1 73 73 GLN CA C 13 57.614 0.300 . 1 . . . . 73 GLN CA . 10146 1 716 . 1 1 73 73 GLN HA H 1 4.083 0.030 . 1 . . . . 73 GLN HA . 10146 1 717 . 1 1 73 73 GLN CB C 13 29.667 0.300 . 1 . . . . 73 GLN CB . 10146 1 718 . 1 1 73 73 GLN HB2 H 1 1.990 0.030 . 2 . . . . 73 GLN HB2 . 10146 1 719 . 1 1 73 73 GLN HB3 H 1 2.220 0.030 . 2 . . . . 73 GLN HB3 . 10146 1 720 . 1 1 73 73 GLN CG C 13 33.339 0.300 . 1 . . . . 73 GLN CG . 10146 1 721 . 1 1 73 73 GLN HG2 H 1 2.418 0.030 . 2 . . . . 73 GLN HG2 . 10146 1 722 . 1 1 73 73 GLN HG3 H 1 2.489 0.030 . 2 . . . . 73 GLN HG3 . 10146 1 723 . 1 1 73 73 GLN NE2 N 15 111.974 0.300 . 1 . . . . 73 GLN NE2 . 10146 1 724 . 1 1 73 73 GLN HE21 H 1 7.561 0.030 . 2 . . . . 73 GLN HE21 . 10146 1 725 . 1 1 73 73 GLN HE22 H 1 6.908 0.030 . 2 . . . . 73 GLN HE22 . 10146 1 726 . 1 1 73 73 GLN C C 13 175.643 0.300 . 1 . . . . 73 GLN C . 10146 1 727 . 1 1 74 74 GLU N N 15 114.557 0.300 . 1 . . . . 74 GLU N . 10146 1 728 . 1 1 74 74 GLU H H 1 7.102 0.030 . 1 . . . . 74 GLU H . 10146 1 729 . 1 1 74 74 GLU CA C 13 52.242 0.300 . 1 . . . . 74 GLU CA . 10146 1 730 . 1 1 74 74 GLU HA H 1 4.988 0.030 . 1 . . . . 74 GLU HA . 10146 1 731 . 1 1 74 74 GLU CB C 13 31.732 0.300 . 1 . . . . 74 GLU CB . 10146 1 732 . 1 1 74 74 GLU HB2 H 1 2.003 0.030 . 2 . . . . 74 GLU HB2 . 10146 1 733 . 1 1 74 74 GLU HB3 H 1 1.657 0.030 . 2 . . . . 74 GLU HB3 . 10146 1 734 . 1 1 74 74 GLU CG C 13 35.024 0.300 . 1 . . . . 74 GLU CG . 10146 1 735 . 1 1 74 74 GLU HG2 H 1 2.224 0.030 . 2 . . . . 74 GLU HG2 . 10146 1 736 . 1 1 74 74 GLU HG3 H 1 2.327 0.030 . 2 . . . . 74 GLU HG3 . 10146 1 737 . 1 1 74 74 GLU C C 13 174.462 0.300 . 1 . . . . 74 GLU C . 10146 1 738 . 1 1 75 75 PRO CA C 13 63.007 0.300 . 1 . . . . 75 PRO CA . 10146 1 739 . 1 1 75 75 PRO HA H 1 4.335 0.030 . 1 . . . . 75 PRO HA . 10146 1 740 . 1 1 75 75 PRO CB C 13 32.866 0.300 . 1 . . . . 75 PRO CB . 10146 1 741 . 1 1 75 75 PRO HB2 H 1 2.114 0.030 . 2 . . . . 75 PRO HB2 . 10146 1 742 . 1 1 75 75 PRO HB3 H 1 2.237 0.030 . 2 . . . . 75 PRO HB3 . 10146 1 743 . 1 1 75 75 PRO CG C 13 27.587 0.300 . 1 . . . . 75 PRO CG . 10146 1 744 . 1 1 75 75 PRO HG2 H 1 1.828 0.030 . 2 . . . . 75 PRO HG2 . 10146 1 745 . 1 1 75 75 PRO HG3 H 1 2.201 0.030 . 2 . . . . 75 PRO HG3 . 10146 1 746 . 1 1 75 75 PRO CD C 13 50.870 0.300 . 1 . . . . 75 PRO CD . 10146 1 747 . 1 1 75 75 PRO HD2 H 1 3.771 0.030 . 2 . . . . 75 PRO HD2 . 10146 1 748 . 1 1 75 75 PRO HD3 H 1 3.851 0.030 . 2 . . . . 75 PRO HD3 . 10146 1 749 . 1 1 75 75 PRO C C 13 174.572 0.300 . 1 . . . . 75 PRO C . 10146 1 750 . 1 1 76 76 GLY N N 15 107.234 0.300 . 1 . . . . 76 GLY N . 10146 1 751 . 1 1 76 76 GLY H H 1 9.012 0.030 . 1 . . . . 76 GLY H . 10146 1 752 . 1 1 76 76 GLY CA C 13 44.615 0.300 . 1 . . . . 76 GLY CA . 10146 1 753 . 1 1 76 76 GLY HA2 H 1 3.850 0.030 . 2 . . . . 76 GLY HA2 . 10146 1 754 . 1 1 76 76 GLY HA3 H 1 4.201 0.030 . 2 . . . . 76 GLY HA3 . 10146 1 755 . 1 1 76 76 GLY C C 13 171.133 0.300 . 1 . . . . 76 GLY C . 10146 1 756 . 1 1 77 77 ASN N N 15 119.292 0.300 . 1 . . . . 77 ASN N . 10146 1 757 . 1 1 77 77 ASN H H 1 8.549 0.030 . 1 . . . . 77 ASN H . 10146 1 758 . 1 1 77 77 ASN CA C 13 52.364 0.300 . 1 . . . . 77 ASN CA . 10146 1 759 . 1 1 77 77 ASN HA H 1 5.369 0.030 . 1 . . . . 77 ASN HA . 10146 1 760 . 1 1 77 77 ASN CB C 13 39.176 0.300 . 1 . . . . 77 ASN CB . 10146 1 761 . 1 1 77 77 ASN HB2 H 1 2.364 0.030 . 2 . . . . 77 ASN HB2 . 10146 1 762 . 1 1 77 77 ASN HB3 H 1 2.632 0.030 . 2 . . . . 77 ASN HB3 . 10146 1 763 . 1 1 77 77 ASN ND2 N 15 113.044 0.300 . 1 . . . . 77 ASN ND2 . 10146 1 764 . 1 1 77 77 ASN HD21 H 1 7.624 0.030 . 2 . . . . 77 ASN HD21 . 10146 1 765 . 1 1 77 77 ASN HD22 H 1 6.806 0.030 . 2 . . . . 77 ASN HD22 . 10146 1 766 . 1 1 77 77 ASN C C 13 174.470 0.300 . 1 . . . . 77 ASN C . 10146 1 767 . 1 1 78 78 TYR N N 15 123.809 0.300 . 1 . . . . 78 TYR N . 10146 1 768 . 1 1 78 78 TYR H H 1 9.094 0.030 . 1 . . . . 78 TYR H . 10146 1 769 . 1 1 78 78 TYR CA C 13 56.818 0.300 . 1 . . . . 78 TYR CA . 10146 1 770 . 1 1 78 78 TYR HA H 1 4.859 0.030 . 1 . . . . 78 TYR HA . 10146 1 771 . 1 1 78 78 TYR CB C 13 39.860 0.300 . 1 . . . . 78 TYR CB . 10146 1 772 . 1 1 78 78 TYR HB2 H 1 2.834 0.030 . 2 . . . . 78 TYR HB2 . 10146 1 773 . 1 1 78 78 TYR HB3 H 1 2.335 0.030 . 2 . . . . 78 TYR HB3 . 10146 1 774 . 1 1 78 78 TYR CD1 C 13 133.764 0.300 . 1 . . . . 78 TYR CD1 . 10146 1 775 . 1 1 78 78 TYR HD1 H 1 6.972 0.030 . 1 . . . . 78 TYR HD1 . 10146 1 776 . 1 1 78 78 TYR CD2 C 13 133.764 0.300 . 1 . . . . 78 TYR CD2 . 10146 1 777 . 1 1 78 78 TYR HD2 H 1 6.972 0.030 . 1 . . . . 78 TYR HD2 . 10146 1 778 . 1 1 78 78 TYR CE1 C 13 116.669 0.300 . 1 . . . . 78 TYR CE1 . 10146 1 779 . 1 1 78 78 TYR HE1 H 1 6.847 0.030 . 1 . . . . 78 TYR HE1 . 10146 1 780 . 1 1 78 78 TYR CE2 C 13 116.669 0.300 . 1 . . . . 78 TYR CE2 . 10146 1 781 . 1 1 78 78 TYR HE2 H 1 6.847 0.030 . 1 . . . . 78 TYR HE2 . 10146 1 782 . 1 1 78 78 TYR C C 13 174.184 0.300 . 1 . . . . 78 TYR C . 10146 1 783 . 1 1 79 79 GLU N N 15 122.250 0.300 . 1 . . . . 79 GLU N . 10146 1 784 . 1 1 79 79 GLU H H 1 9.259 0.030 . 1 . . . . 79 GLU H . 10146 1 785 . 1 1 79 79 GLU CA C 13 54.692 0.300 . 1 . . . . 79 GLU CA . 10146 1 786 . 1 1 79 79 GLU HA H 1 5.313 0.030 . 1 . . . . 79 GLU HA . 10146 1 787 . 1 1 79 79 GLU CB C 13 32.159 0.300 . 1 . . . . 79 GLU CB . 10146 1 788 . 1 1 79 79 GLU HB2 H 1 1.857 0.030 . 2 . . . . 79 GLU HB2 . 10146 1 789 . 1 1 79 79 GLU HB3 H 1 1.921 0.030 . 2 . . . . 79 GLU HB3 . 10146 1 790 . 1 1 79 79 GLU CG C 13 37.735 0.300 . 1 . . . . 79 GLU CG . 10146 1 791 . 1 1 79 79 GLU HG2 H 1 2.114 0.030 . 2 . . . . 79 GLU HG2 . 10146 1 792 . 1 1 79 79 GLU HG3 H 1 1.929 0.030 . 2 . . . . 79 GLU HG3 . 10146 1 793 . 1 1 79 79 GLU C C 13 176.631 0.300 . 1 . . . . 79 GLU C . 10146 1 794 . 1 1 80 80 VAL N N 15 131.418 0.300 . 1 . . . . 80 VAL N . 10146 1 795 . 1 1 80 80 VAL H H 1 9.761 0.030 . 1 . . . . 80 VAL H . 10146 1 796 . 1 1 80 80 VAL CA C 13 61.522 0.300 . 1 . . . . 80 VAL CA . 10146 1 797 . 1 1 80 80 VAL HA H 1 4.801 0.030 . 1 . . . . 80 VAL HA . 10146 1 798 . 1 1 80 80 VAL CB C 13 32.818 0.300 . 1 . . . . 80 VAL CB . 10146 1 799 . 1 1 80 80 VAL HB H 1 1.981 0.030 . 1 . . . . 80 VAL HB . 10146 1 800 . 1 1 80 80 VAL CG1 C 13 20.289 0.300 . 2 . . . . 80 VAL CG1 . 10146 1 801 . 1 1 80 80 VAL HG11 H 1 0.561 0.030 . 1 . . . . 80 VAL HG1 . 10146 1 802 . 1 1 80 80 VAL HG12 H 1 0.561 0.030 . 1 . . . . 80 VAL HG1 . 10146 1 803 . 1 1 80 80 VAL HG13 H 1 0.561 0.030 . 1 . . . . 80 VAL HG1 . 10146 1 804 . 1 1 80 80 VAL CG2 C 13 20.256 0.300 . 2 . . . . 80 VAL CG2 . 10146 1 805 . 1 1 80 80 VAL HG21 H 1 0.638 0.030 . 1 . . . . 80 VAL HG2 . 10146 1 806 . 1 1 80 80 VAL HG22 H 1 0.638 0.030 . 1 . . . . 80 VAL HG2 . 10146 1 807 . 1 1 80 80 VAL HG23 H 1 0.638 0.030 . 1 . . . . 80 VAL HG2 . 10146 1 808 . 1 1 80 80 VAL C C 13 175.573 0.300 . 1 . . . . 80 VAL C . 10146 1 809 . 1 1 81 81 SER N N 15 123.238 0.300 . 1 . . . . 81 SER N . 10146 1 810 . 1 1 81 81 SER H H 1 9.457 0.030 . 1 . . . . 81 SER H . 10146 1 811 . 1 1 81 81 SER CA C 13 57.589 0.300 . 1 . . . . 81 SER CA . 10146 1 812 . 1 1 81 81 SER HA H 1 5.167 0.030 . 1 . . . . 81 SER HA . 10146 1 813 . 1 1 81 81 SER CB C 13 64.882 0.300 . 1 . . . . 81 SER CB . 10146 1 814 . 1 1 81 81 SER HB2 H 1 3.591 0.030 . 2 . . . . 81 SER HB2 . 10146 1 815 . 1 1 81 81 SER HB3 H 1 3.821 0.030 . 2 . . . . 81 SER HB3 . 10146 1 816 . 1 1 81 81 SER C C 13 173.514 0.300 . 1 . . . . 81 SER C . 10146 1 817 . 1 1 82 82 ILE N N 15 126.261 0.300 . 1 . . . . 82 ILE N . 10146 1 818 . 1 1 82 82 ILE H H 1 9.642 0.030 . 1 . . . . 82 ILE H . 10146 1 819 . 1 1 82 82 ILE CA C 13 60.992 0.300 . 1 . . . . 82 ILE CA . 10146 1 820 . 1 1 82 82 ILE HA H 1 4.667 0.030 . 1 . . . . 82 ILE HA . 10146 1 821 . 1 1 82 82 ILE CB C 13 40.692 0.300 . 1 . . . . 82 ILE CB . 10146 1 822 . 1 1 82 82 ILE HB H 1 1.813 0.030 . 1 . . . . 82 ILE HB . 10146 1 823 . 1 1 82 82 ILE CG1 C 13 27.076 0.300 . 1 . . . . 82 ILE CG1 . 10146 1 824 . 1 1 82 82 ILE HG12 H 1 1.650 0.030 . 2 . . . . 82 ILE HG12 . 10146 1 825 . 1 1 82 82 ILE HG13 H 1 0.984 0.030 . 2 . . . . 82 ILE HG13 . 10146 1 826 . 1 1 82 82 ILE CG2 C 13 18.678 0.300 . 1 . . . . 82 ILE CG2 . 10146 1 827 . 1 1 82 82 ILE HG21 H 1 0.888 0.030 . 1 . . . . 82 ILE HG2 . 10146 1 828 . 1 1 82 82 ILE HG22 H 1 0.888 0.030 . 1 . . . . 82 ILE HG2 . 10146 1 829 . 1 1 82 82 ILE HG23 H 1 0.888 0.030 . 1 . . . . 82 ILE HG2 . 10146 1 830 . 1 1 82 82 ILE CD1 C 13 15.984 0.300 . 1 . . . . 82 ILE CD1 . 10146 1 831 . 1 1 82 82 ILE HD11 H 1 0.766 0.030 . 1 . . . . 82 ILE HD1 . 10146 1 832 . 1 1 82 82 ILE HD12 H 1 0.766 0.030 . 1 . . . . 82 ILE HD1 . 10146 1 833 . 1 1 82 82 ILE HD13 H 1 0.766 0.030 . 1 . . . . 82 ILE HD1 . 10146 1 834 . 1 1 82 82 ILE C C 13 173.498 0.300 . 1 . . . . 82 ILE C . 10146 1 835 . 1 1 83 83 LYS N N 15 123.477 0.300 . 1 . . . . 83 LYS N . 10146 1 836 . 1 1 83 83 LYS H H 1 8.720 0.030 . 1 . . . . 83 LYS H . 10146 1 837 . 1 1 83 83 LYS CA C 13 53.730 0.300 . 1 . . . . 83 LYS CA . 10146 1 838 . 1 1 83 83 LYS HA H 1 5.139 0.030 . 1 . . . . 83 LYS HA . 10146 1 839 . 1 1 83 83 LYS CB C 13 36.351 0.300 . 1 . . . . 83 LYS CB . 10146 1 840 . 1 1 83 83 LYS HB2 H 1 1.546 0.030 . 2 . . . . 83 LYS HB2 . 10146 1 841 . 1 1 83 83 LYS HB3 H 1 0.995 0.030 . 2 . . . . 83 LYS HB3 . 10146 1 842 . 1 1 83 83 LYS CG C 13 24.630 0.300 . 1 . . . . 83 LYS CG . 10146 1 843 . 1 1 83 83 LYS HG2 H 1 0.187 0.030 . 2 . . . . 83 LYS HG2 . 10146 1 844 . 1 1 83 83 LYS HG3 H 1 0.882 0.030 . 2 . . . . 83 LYS HG3 . 10146 1 845 . 1 1 83 83 LYS CD C 13 29.440 0.300 . 1 . . . . 83 LYS CD . 10146 1 846 . 1 1 83 83 LYS HD2 H 1 1.153 0.030 . 2 . . . . 83 LYS HD2 . 10146 1 847 . 1 1 83 83 LYS HD3 H 1 0.938 0.030 . 2 . . . . 83 LYS HD3 . 10146 1 848 . 1 1 83 83 LYS CE C 13 41.333 0.300 . 1 . . . . 83 LYS CE . 10146 1 849 . 1 1 83 83 LYS HE2 H 1 1.936 0.030 . 2 . . . . 83 LYS HE2 . 10146 1 850 . 1 1 83 83 LYS HE3 H 1 2.159 0.030 . 2 . . . . 83 LYS HE3 . 10146 1 851 . 1 1 83 83 LYS C C 13 174.914 0.300 . 1 . . . . 83 LYS C . 10146 1 852 . 1 1 84 84 PHE N N 15 122.298 0.300 . 1 . . . . 84 PHE N . 10146 1 853 . 1 1 84 84 PHE H H 1 9.154 0.030 . 1 . . . . 84 PHE H . 10146 1 854 . 1 1 84 84 PHE CA C 13 56.057 0.300 . 1 . . . . 84 PHE CA . 10146 1 855 . 1 1 84 84 PHE HA H 1 5.238 0.030 . 1 . . . . 84 PHE HA . 10146 1 856 . 1 1 84 84 PHE CB C 13 43.136 0.300 . 1 . . . . 84 PHE CB . 10146 1 857 . 1 1 84 84 PHE HB2 H 1 2.862 0.030 . 2 . . . . 84 PHE HB2 . 10146 1 858 . 1 1 84 84 PHE HB3 H 1 2.496 0.030 . 2 . . . . 84 PHE HB3 . 10146 1 859 . 1 1 84 84 PHE CD1 C 13 130.737 0.300 . 1 . . . . 84 PHE CD1 . 10146 1 860 . 1 1 84 84 PHE HD1 H 1 6.813 0.030 . 1 . . . . 84 PHE HD1 . 10146 1 861 . 1 1 84 84 PHE CD2 C 13 130.737 0.300 . 1 . . . . 84 PHE CD2 . 10146 1 862 . 1 1 84 84 PHE HD2 H 1 6.813 0.030 . 1 . . . . 84 PHE HD2 . 10146 1 863 . 1 1 84 84 PHE CE1 C 13 131.538 0.300 . 1 . . . . 84 PHE CE1 . 10146 1 864 . 1 1 84 84 PHE HE1 H 1 7.103 0.030 . 1 . . . . 84 PHE HE1 . 10146 1 865 . 1 1 84 84 PHE CE2 C 13 131.538 0.300 . 1 . . . . 84 PHE CE2 . 10146 1 866 . 1 1 84 84 PHE HE2 H 1 7.103 0.030 . 1 . . . . 84 PHE HE2 . 10146 1 867 . 1 1 84 84 PHE C C 13 175.864 0.300 . 1 . . . . 84 PHE C . 10146 1 868 . 1 1 85 85 ASN N N 15 127.936 0.300 . 1 . . . . 85 ASN N . 10146 1 869 . 1 1 85 85 ASN H H 1 9.040 0.030 . 1 . . . . 85 ASN H . 10146 1 870 . 1 1 85 85 ASN CA C 13 54.448 0.300 . 1 . . . . 85 ASN CA . 10146 1 871 . 1 1 85 85 ASN HA H 1 4.206 0.030 . 1 . . . . 85 ASN HA . 10146 1 872 . 1 1 85 85 ASN CB C 13 36.554 0.300 . 1 . . . . 85 ASN CB . 10146 1 873 . 1 1 85 85 ASN HB2 H 1 2.996 0.030 . 2 . . . . 85 ASN HB2 . 10146 1 874 . 1 1 85 85 ASN HB3 H 1 2.781 0.030 . 2 . . . . 85 ASN HB3 . 10146 1 875 . 1 1 85 85 ASN ND2 N 15 112.589 0.300 . 1 . . . . 85 ASN ND2 . 10146 1 876 . 1 1 85 85 ASN HD21 H 1 6.665 0.030 . 2 . . . . 85 ASN HD21 . 10146 1 877 . 1 1 85 85 ASN HD22 H 1 7.802 0.030 . 2 . . . . 85 ASN HD22 . 10146 1 878 . 1 1 85 85 ASN C C 13 174.620 0.300 . 1 . . . . 85 ASN C . 10146 1 879 . 1 1 86 86 ASP N N 15 108.763 0.300 . 1 . . . . 86 ASP N . 10146 1 880 . 1 1 86 86 ASP H H 1 8.828 0.030 . 1 . . . . 86 ASP H . 10146 1 881 . 1 1 86 86 ASP CA C 13 56.405 0.300 . 1 . . . . 86 ASP CA . 10146 1 882 . 1 1 86 86 ASP HA H 1 3.946 0.030 . 1 . . . . 86 ASP HA . 10146 1 883 . 1 1 86 86 ASP CB C 13 40.367 0.300 . 1 . . . . 86 ASP CB . 10146 1 884 . 1 1 86 86 ASP HB2 H 1 2.691 0.030 . 2 . . . . 86 ASP HB2 . 10146 1 885 . 1 1 86 86 ASP HB3 H 1 2.915 0.030 . 2 . . . . 86 ASP HB3 . 10146 1 886 . 1 1 86 86 ASP C C 13 174.169 0.300 . 1 . . . . 86 ASP C . 10146 1 887 . 1 1 87 87 GLU N N 15 119.289 0.300 . 1 . . . . 87 GLU N . 10146 1 888 . 1 1 87 87 GLU H H 1 7.510 0.030 . 1 . . . . 87 GLU H . 10146 1 889 . 1 1 87 87 GLU CA C 13 54.483 0.300 . 1 . . . . 87 GLU CA . 10146 1 890 . 1 1 87 87 GLU HA H 1 4.743 0.030 . 1 . . . . 87 GLU HA . 10146 1 891 . 1 1 87 87 GLU CB C 13 32.763 0.300 . 1 . . . . 87 GLU CB . 10146 1 892 . 1 1 87 87 GLU HB2 H 1 2.091 0.030 . 2 . . . . 87 GLU HB2 . 10146 1 893 . 1 1 87 87 GLU HB3 H 1 1.970 0.030 . 2 . . . . 87 GLU HB3 . 10146 1 894 . 1 1 87 87 GLU CG C 13 36.163 0.300 . 1 . . . . 87 GLU CG . 10146 1 895 . 1 1 87 87 GLU HG2 H 1 2.277 0.030 . 2 . . . . 87 GLU HG2 . 10146 1 896 . 1 1 87 87 GLU HG3 H 1 2.401 0.030 . 2 . . . . 87 GLU HG3 . 10146 1 897 . 1 1 87 87 GLU C C 13 175.825 0.300 . 1 . . . . 87 GLU C . 10146 1 898 . 1 1 88 88 HIS N N 15 123.465 0.300 . 1 . . . . 88 HIS N . 10146 1 899 . 1 1 88 88 HIS H H 1 8.822 0.030 . 1 . . . . 88 HIS H . 10146 1 900 . 1 1 88 88 HIS CA C 13 59.117 0.300 . 1 . . . . 88 HIS CA . 10146 1 901 . 1 1 88 88 HIS HA H 1 4.511 0.030 . 1 . . . . 88 HIS HA . 10146 1 902 . 1 1 88 88 HIS CB C 13 32.254 0.300 . 1 . . . . 88 HIS CB . 10146 1 903 . 1 1 88 88 HIS HB2 H 1 2.900 0.030 . 2 . . . . 88 HIS HB2 . 10146 1 904 . 1 1 88 88 HIS HB3 H 1 3.267 0.030 . 2 . . . . 88 HIS HB3 . 10146 1 905 . 1 1 88 88 HIS CD2 C 13 117.886 0.300 . 1 . . . . 88 HIS CD2 . 10146 1 906 . 1 1 88 88 HIS HD2 H 1 7.147 0.030 . 1 . . . . 88 HIS HD2 . 10146 1 907 . 1 1 88 88 HIS CE1 C 13 137.512 0.300 . 1 . . . . 88 HIS CE1 . 10146 1 908 . 1 1 88 88 HIS HE1 H 1 7.631 0.030 . 1 . . . . 88 HIS HE1 . 10146 1 909 . 1 1 88 88 HIS C C 13 177.352 0.300 . 1 . . . . 88 HIS C . 10146 1 910 . 1 1 89 89 ILE N N 15 117.945 0.300 . 1 . . . . 89 ILE N . 10146 1 911 . 1 1 89 89 ILE H H 1 8.131 0.030 . 1 . . . . 89 ILE H . 10146 1 912 . 1 1 89 89 ILE CA C 13 61.121 0.300 . 1 . . . . 89 ILE CA . 10146 1 913 . 1 1 89 89 ILE HA H 1 4.519 0.030 . 1 . . . . 89 ILE HA . 10146 1 914 . 1 1 89 89 ILE CB C 13 35.538 0.300 . 1 . . . . 89 ILE CB . 10146 1 915 . 1 1 89 89 ILE HB H 1 2.354 0.030 . 1 . . . . 89 ILE HB . 10146 1 916 . 1 1 89 89 ILE CG1 C 13 25.486 0.300 . 1 . . . . 89 ILE CG1 . 10146 1 917 . 1 1 89 89 ILE HG12 H 1 1.519 0.030 . 1 . . . . 89 ILE HG12 . 10146 1 918 . 1 1 89 89 ILE HG13 H 1 1.519 0.030 . 1 . . . . 89 ILE HG13 . 10146 1 919 . 1 1 89 89 ILE CG2 C 13 17.355 0.300 . 1 . . . . 89 ILE CG2 . 10146 1 920 . 1 1 89 89 ILE HG21 H 1 1.001 0.030 . 1 . . . . 89 ILE HG2 . 10146 1 921 . 1 1 89 89 ILE HG22 H 1 1.001 0.030 . 1 . . . . 89 ILE HG2 . 10146 1 922 . 1 1 89 89 ILE HG23 H 1 1.001 0.030 . 1 . . . . 89 ILE HG2 . 10146 1 923 . 1 1 89 89 ILE CD1 C 13 16.134 0.300 . 1 . . . . 89 ILE CD1 . 10146 1 924 . 1 1 89 89 ILE HD11 H 1 0.946 0.030 . 1 . . . . 89 ILE HD1 . 10146 1 925 . 1 1 89 89 ILE HD12 H 1 0.946 0.030 . 1 . . . . 89 ILE HD1 . 10146 1 926 . 1 1 89 89 ILE HD13 H 1 0.946 0.030 . 1 . . . . 89 ILE HD1 . 10146 1 927 . 1 1 89 89 ILE C C 13 173.831 0.300 . 1 . . . . 89 ILE C . 10146 1 928 . 1 1 90 90 PRO CA C 13 66.545 0.300 . 1 . . . . 90 PRO CA . 10146 1 929 . 1 1 90 90 PRO HA H 1 4.223 0.030 . 1 . . . . 90 PRO HA . 10146 1 930 . 1 1 90 90 PRO CB C 13 31.693 0.300 . 1 . . . . 90 PRO CB . 10146 1 931 . 1 1 90 90 PRO HB2 H 1 2.406 0.030 . 2 . . . . 90 PRO HB2 . 10146 1 932 . 1 1 90 90 PRO HB3 H 1 1.960 0.030 . 2 . . . . 90 PRO HB3 . 10146 1 933 . 1 1 90 90 PRO CG C 13 28.567 0.300 . 1 . . . . 90 PRO CG . 10146 1 934 . 1 1 90 90 PRO HG2 H 1 2.284 0.030 . 2 . . . . 90 PRO HG2 . 10146 1 935 . 1 1 90 90 PRO HG3 H 1 1.988 0.030 . 2 . . . . 90 PRO HG3 . 10146 1 936 . 1 1 90 90 PRO CD C 13 50.705 0.300 . 1 . . . . 90 PRO CD . 10146 1 937 . 1 1 90 90 PRO HD2 H 1 3.744 0.030 . 2 . . . . 90 PRO HD2 . 10146 1 938 . 1 1 90 90 PRO HD3 H 1 4.255 0.030 . 2 . . . . 90 PRO HD3 . 10146 1 939 . 1 1 90 90 PRO C C 13 177.046 0.300 . 1 . . . . 90 PRO C . 10146 1 940 . 1 1 91 91 GLU N N 15 113.835 0.300 . 1 . . . . 91 GLU N . 10146 1 941 . 1 1 91 91 GLU H H 1 8.223 0.030 . 1 . . . . 91 GLU H . 10146 1 942 . 1 1 91 91 GLU CA C 13 57.913 0.300 . 1 . . . . 91 GLU CA . 10146 1 943 . 1 1 91 91 GLU HA H 1 3.733 0.030 . 1 . . . . 91 GLU HA . 10146 1 944 . 1 1 91 91 GLU CB C 13 27.681 0.300 . 1 . . . . 91 GLU CB . 10146 1 945 . 1 1 91 91 GLU HB2 H 1 2.317 0.030 . 2 . . . . 91 GLU HB2 . 10146 1 946 . 1 1 91 91 GLU HB3 H 1 1.878 0.030 . 2 . . . . 91 GLU HB3 . 10146 1 947 . 1 1 91 91 GLU CG C 13 37.318 0.300 . 1 . . . . 91 GLU CG . 10146 1 948 . 1 1 91 91 GLU HG2 H 1 2.222 0.030 . 2 . . . . 91 GLU HG2 . 10146 1 949 . 1 1 91 91 GLU HG3 H 1 2.144 0.030 . 2 . . . . 91 GLU HG3 . 10146 1 950 . 1 1 91 91 GLU C C 13 173.469 0.300 . 1 . . . . 91 GLU C . 10146 1 951 . 1 1 92 92 SER N N 15 111.462 0.300 . 1 . . . . 92 SER N . 10146 1 952 . 1 1 92 92 SER H H 1 7.489 0.030 . 1 . . . . 92 SER H . 10146 1 953 . 1 1 92 92 SER CA C 13 54.873 0.300 . 1 . . . . 92 SER CA . 10146 1 954 . 1 1 92 92 SER HA H 1 4.427 0.030 . 1 . . . . 92 SER HA . 10146 1 955 . 1 1 92 92 SER CB C 13 63.317 0.300 . 1 . . . . 92 SER CB . 10146 1 956 . 1 1 92 92 SER HB2 H 1 4.442 0.030 . 2 . . . . 92 SER HB2 . 10146 1 957 . 1 1 92 92 SER HB3 H 1 3.763 0.030 . 2 . . . . 92 SER HB3 . 10146 1 958 . 1 1 92 92 SER C C 13 174.195 0.300 . 1 . . . . 92 SER C . 10146 1 959 . 1 1 93 93 PRO CA C 13 62.333 0.300 . 1 . . . . 93 PRO CA . 10146 1 960 . 1 1 93 93 PRO HA H 1 5.483 0.030 . 1 . . . . 93 PRO HA . 10146 1 961 . 1 1 93 93 PRO CB C 13 34.386 0.300 . 1 . . . . 93 PRO CB . 10146 1 962 . 1 1 93 93 PRO HB2 H 1 2.197 0.030 . 2 . . . . 93 PRO HB2 . 10146 1 963 . 1 1 93 93 PRO HB3 H 1 1.683 0.030 . 2 . . . . 93 PRO HB3 . 10146 1 964 . 1 1 93 93 PRO CG C 13 24.372 0.300 . 1 . . . . 93 PRO CG . 10146 1 965 . 1 1 93 93 PRO HG2 H 1 1.732 0.030 . 1 . . . . 93 PRO HG2 . 10146 1 966 . 1 1 93 93 PRO HG3 H 1 1.732 0.030 . 1 . . . . 93 PRO HG3 . 10146 1 967 . 1 1 93 93 PRO CD C 13 49.800 0.300 . 1 . . . . 93 PRO CD . 10146 1 968 . 1 1 93 93 PRO HD2 H 1 3.215 0.030 . 2 . . . . 93 PRO HD2 . 10146 1 969 . 1 1 93 93 PRO HD3 H 1 2.218 0.030 . 2 . . . . 93 PRO HD3 . 10146 1 970 . 1 1 93 93 PRO C C 13 176.059 0.300 . 1 . . . . 93 PRO C . 10146 1 971 . 1 1 94 94 TYR N N 15 122.179 0.300 . 1 . . . . 94 TYR N . 10146 1 972 . 1 1 94 94 TYR H H 1 9.372 0.030 . 1 . . . . 94 TYR H . 10146 1 973 . 1 1 94 94 TYR CA C 13 57.101 0.300 . 1 . . . . 94 TYR CA . 10146 1 974 . 1 1 94 94 TYR HA H 1 4.531 0.030 . 1 . . . . 94 TYR HA . 10146 1 975 . 1 1 94 94 TYR CB C 13 40.027 0.300 . 1 . . . . 94 TYR CB . 10146 1 976 . 1 1 94 94 TYR HB2 H 1 2.797 0.030 . 1 . . . . 94 TYR HB2 . 10146 1 977 . 1 1 94 94 TYR HB3 H 1 2.797 0.030 . 1 . . . . 94 TYR HB3 . 10146 1 978 . 1 1 94 94 TYR CD1 C 13 133.674 0.300 . 1 . . . . 94 TYR CD1 . 10146 1 979 . 1 1 94 94 TYR HD1 H 1 7.120 0.030 . 1 . . . . 94 TYR HD1 . 10146 1 980 . 1 1 94 94 TYR CD2 C 13 133.674 0.300 . 1 . . . . 94 TYR CD2 . 10146 1 981 . 1 1 94 94 TYR HD2 H 1 7.120 0.030 . 1 . . . . 94 TYR HD2 . 10146 1 982 . 1 1 94 94 TYR CE1 C 13 118.063 0.300 . 1 . . . . 94 TYR CE1 . 10146 1 983 . 1 1 94 94 TYR HE1 H 1 6.545 0.030 . 1 . . . . 94 TYR HE1 . 10146 1 984 . 1 1 94 94 TYR CE2 C 13 118.063 0.300 . 1 . . . . 94 TYR CE2 . 10146 1 985 . 1 1 94 94 TYR HE2 H 1 6.545 0.030 . 1 . . . . 94 TYR HE2 . 10146 1 986 . 1 1 94 94 TYR C C 13 175.281 0.300 . 1 . . . . 94 TYR C . 10146 1 987 . 1 1 95 95 LEU N N 15 126.428 0.300 . 1 . . . . 95 LEU N . 10146 1 988 . 1 1 95 95 LEU H H 1 8.807 0.030 . 1 . . . . 95 LEU H . 10146 1 989 . 1 1 95 95 LEU CA C 13 54.200 0.300 . 1 . . . . 95 LEU CA . 10146 1 990 . 1 1 95 95 LEU HA H 1 4.981 0.030 . 1 . . . . 95 LEU HA . 10146 1 991 . 1 1 95 95 LEU CB C 13 41.894 0.300 . 1 . . . . 95 LEU CB . 10146 1 992 . 1 1 95 95 LEU HB2 H 1 1.536 0.030 . 2 . . . . 95 LEU HB2 . 10146 1 993 . 1 1 95 95 LEU HB3 H 1 1.799 0.030 . 2 . . . . 95 LEU HB3 . 10146 1 994 . 1 1 95 95 LEU CG C 13 27.703 0.300 . 1 . . . . 95 LEU CG . 10146 1 995 . 1 1 95 95 LEU HG H 1 1.408 0.030 . 1 . . . . 95 LEU HG . 10146 1 996 . 1 1 95 95 LEU CD1 C 13 23.842 0.300 . 2 . . . . 95 LEU CD1 . 10146 1 997 . 1 1 95 95 LEU HD11 H 1 0.795 0.030 . 1 . . . . 95 LEU HD1 . 10146 1 998 . 1 1 95 95 LEU HD12 H 1 0.795 0.030 . 1 . . . . 95 LEU HD1 . 10146 1 999 . 1 1 95 95 LEU HD13 H 1 0.795 0.030 . 1 . . . . 95 LEU HD1 . 10146 1 1000 . 1 1 95 95 LEU CD2 C 13 24.611 0.300 . 2 . . . . 95 LEU CD2 . 10146 1 1001 . 1 1 95 95 LEU HD21 H 1 0.824 0.030 . 1 . . . . 95 LEU HD2 . 10146 1 1002 . 1 1 95 95 LEU HD22 H 1 0.824 0.030 . 1 . . . . 95 LEU HD2 . 10146 1 1003 . 1 1 95 95 LEU HD23 H 1 0.824 0.030 . 1 . . . . 95 LEU HD2 . 10146 1 1004 . 1 1 95 95 LEU C C 13 176.295 0.300 . 1 . . . . 95 LEU C . 10146 1 1005 . 1 1 96 96 VAL N N 15 130.944 0.300 . 1 . . . . 96 VAL N . 10146 1 1006 . 1 1 96 96 VAL H H 1 9.629 0.030 . 1 . . . . 96 VAL H . 10146 1 1007 . 1 1 96 96 VAL CA C 13 59.813 0.300 . 1 . . . . 96 VAL CA . 10146 1 1008 . 1 1 96 96 VAL HA H 1 4.469 0.030 . 1 . . . . 96 VAL HA . 10146 1 1009 . 1 1 96 96 VAL CB C 13 35.052 0.300 . 1 . . . . 96 VAL CB . 10146 1 1010 . 1 1 96 96 VAL HB H 1 1.965 0.030 . 1 . . . . 96 VAL HB . 10146 1 1011 . 1 1 96 96 VAL CG1 C 13 19.494 0.300 . 2 . . . . 96 VAL CG1 . 10146 1 1012 . 1 1 96 96 VAL HG11 H 1 0.564 0.030 . 1 . . . . 96 VAL HG1 . 10146 1 1013 . 1 1 96 96 VAL HG12 H 1 0.564 0.030 . 1 . . . . 96 VAL HG1 . 10146 1 1014 . 1 1 96 96 VAL HG13 H 1 0.564 0.030 . 1 . . . . 96 VAL HG1 . 10146 1 1015 . 1 1 96 96 VAL CG2 C 13 20.555 0.300 . 2 . . . . 96 VAL CG2 . 10146 1 1016 . 1 1 96 96 VAL HG21 H 1 0.720 0.030 . 1 . . . . 96 VAL HG2 . 10146 1 1017 . 1 1 96 96 VAL HG22 H 1 0.720 0.030 . 1 . . . . 96 VAL HG2 . 10146 1 1018 . 1 1 96 96 VAL HG23 H 1 0.720 0.030 . 1 . . . . 96 VAL HG2 . 10146 1 1019 . 1 1 96 96 VAL C C 13 173.734 0.300 . 1 . . . . 96 VAL C . 10146 1 1020 . 1 1 97 97 PRO CA C 13 62.379 0.300 . 1 . . . . 97 PRO CA . 10146 1 1021 . 1 1 97 97 PRO HA H 1 5.016 0.030 . 1 . . . . 97 PRO HA . 10146 1 1022 . 1 1 97 97 PRO CB C 13 32.163 0.300 . 1 . . . . 97 PRO CB . 10146 1 1023 . 1 1 97 97 PRO HB2 H 1 1.959 0.030 . 2 . . . . 97 PRO HB2 . 10146 1 1024 . 1 1 97 97 PRO HB3 H 1 2.275 0.030 . 2 . . . . 97 PRO HB3 . 10146 1 1025 . 1 1 97 97 PRO CG C 13 27.429 0.300 . 1 . . . . 97 PRO CG . 10146 1 1026 . 1 1 97 97 PRO HG2 H 1 2.425 0.030 . 2 . . . . 97 PRO HG2 . 10146 1 1027 . 1 1 97 97 PRO HG3 H 1 2.096 0.030 . 2 . . . . 97 PRO HG3 . 10146 1 1028 . 1 1 97 97 PRO CD C 13 51.097 0.300 . 1 . . . . 97 PRO CD . 10146 1 1029 . 1 1 97 97 PRO HD2 H 1 3.833 0.030 . 2 . . . . 97 PRO HD2 . 10146 1 1030 . 1 1 97 97 PRO HD3 H 1 4.297 0.030 . 2 . . . . 97 PRO HD3 . 10146 1 1031 . 1 1 97 97 PRO C C 13 175.950 0.300 . 1 . . . . 97 PRO C . 10146 1 1032 . 1 1 98 98 VAL N N 15 125.524 0.300 . 1 . . . . 98 VAL N . 10146 1 1033 . 1 1 98 98 VAL H H 1 9.196 0.030 . 1 . . . . 98 VAL H . 10146 1 1034 . 1 1 98 98 VAL CA C 13 61.345 0.300 . 1 . . . . 98 VAL CA . 10146 1 1035 . 1 1 98 98 VAL HA H 1 4.411 0.030 . 1 . . . . 98 VAL HA . 10146 1 1036 . 1 1 98 98 VAL CB C 13 32.037 0.300 . 1 . . . . 98 VAL CB . 10146 1 1037 . 1 1 98 98 VAL HB H 1 2.286 0.030 . 1 . . . . 98 VAL HB . 10146 1 1038 . 1 1 98 98 VAL CG1 C 13 20.999 0.300 . 2 . . . . 98 VAL CG1 . 10146 1 1039 . 1 1 98 98 VAL HG11 H 1 0.528 0.030 . 1 . . . . 98 VAL HG1 . 10146 1 1040 . 1 1 98 98 VAL HG12 H 1 0.528 0.030 . 1 . . . . 98 VAL HG1 . 10146 1 1041 . 1 1 98 98 VAL HG13 H 1 0.528 0.030 . 1 . . . . 98 VAL HG1 . 10146 1 1042 . 1 1 98 98 VAL CG2 C 13 21.874 0.300 . 2 . . . . 98 VAL CG2 . 10146 1 1043 . 1 1 98 98 VAL HG21 H 1 0.634 0.030 . 1 . . . . 98 VAL HG2 . 10146 1 1044 . 1 1 98 98 VAL HG22 H 1 0.634 0.030 . 1 . . . . 98 VAL HG2 . 10146 1 1045 . 1 1 98 98 VAL HG23 H 1 0.634 0.030 . 1 . . . . 98 VAL HG2 . 10146 1 1046 . 1 1 98 98 VAL C C 13 176.996 0.300 . 1 . . . . 98 VAL C . 10146 1 1047 . 1 1 99 99 ILE N N 15 124.035 0.300 . 1 . . . . 99 ILE N . 10146 1 1048 . 1 1 99 99 ILE H H 1 8.392 0.030 . 1 . . . . 99 ILE H . 10146 1 1049 . 1 1 99 99 ILE CA C 13 59.802 0.300 . 1 . . . . 99 ILE CA . 10146 1 1050 . 1 1 99 99 ILE HA H 1 4.651 0.030 . 1 . . . . 99 ILE HA . 10146 1 1051 . 1 1 99 99 ILE CB C 13 40.609 0.300 . 1 . . . . 99 ILE CB . 10146 1 1052 . 1 1 99 99 ILE HB H 1 2.085 0.030 . 1 . . . . 99 ILE HB . 10146 1 1053 . 1 1 99 99 ILE CG1 C 13 26.191 0.300 . 1 . . . . 99 ILE CG1 . 10146 1 1054 . 1 1 99 99 ILE HG12 H 1 1.444 0.030 . 2 . . . . 99 ILE HG12 . 10146 1 1055 . 1 1 99 99 ILE HG13 H 1 1.372 0.030 . 2 . . . . 99 ILE HG13 . 10146 1 1056 . 1 1 99 99 ILE CG2 C 13 17.922 0.300 . 1 . . . . 99 ILE CG2 . 10146 1 1057 . 1 1 99 99 ILE HG21 H 1 1.022 0.030 . 1 . . . . 99 ILE HG2 . 10146 1 1058 . 1 1 99 99 ILE HG22 H 1 1.022 0.030 . 1 . . . . 99 ILE HG2 . 10146 1 1059 . 1 1 99 99 ILE HG23 H 1 1.022 0.030 . 1 . . . . 99 ILE HG2 . 10146 1 1060 . 1 1 99 99 ILE CD1 C 13 13.550 0.300 . 1 . . . . 99 ILE CD1 . 10146 1 1061 . 1 1 99 99 ILE HD11 H 1 0.890 0.030 . 1 . . . . 99 ILE HD1 . 10146 1 1062 . 1 1 99 99 ILE HD12 H 1 0.890 0.030 . 1 . . . . 99 ILE HD1 . 10146 1 1063 . 1 1 99 99 ILE HD13 H 1 0.890 0.030 . 1 . . . . 99 ILE HD1 . 10146 1 1064 . 1 1 99 99 ILE C C 13 175.482 0.300 . 1 . . . . 99 ILE C . 10146 1 1065 . 1 1 100 100 ALA N N 15 125.837 0.300 . 1 . . . . 100 ALA N . 10146 1 1066 . 1 1 100 100 ALA H H 1 8.714 0.030 . 1 . . . . 100 ALA H . 10146 1 1067 . 1 1 100 100 ALA CA C 13 50.416 0.300 . 1 . . . . 100 ALA CA . 10146 1 1068 . 1 1 100 100 ALA HA H 1 4.603 0.030 . 1 . . . . 100 ALA HA . 10146 1 1069 . 1 1 100 100 ALA CB C 13 18.088 0.300 . 1 . . . . 100 ALA CB . 10146 1 1070 . 1 1 100 100 ALA HB1 H 1 1.407 0.030 . 1 . . . . 100 ALA HB . 10146 1 1071 . 1 1 100 100 ALA HB2 H 1 1.407 0.030 . 1 . . . . 100 ALA HB . 10146 1 1072 . 1 1 100 100 ALA HB3 H 1 1.407 0.030 . 1 . . . . 100 ALA HB . 10146 1 1073 . 1 1 100 100 ALA C C 13 175.264 0.300 . 1 . . . . 100 ALA C . 10146 1 1074 . 1 1 101 101 PRO CA C 13 63.104 0.300 . 1 . . . . 101 PRO CA . 10146 1 1075 . 1 1 101 101 PRO HA H 1 4.483 0.030 . 1 . . . . 101 PRO HA . 10146 1 1076 . 1 1 101 101 PRO CB C 13 32.222 0.300 . 1 . . . . 101 PRO CB . 10146 1 1077 . 1 1 101 101 PRO HB2 H 1 1.946 0.030 . 2 . . . . 101 PRO HB2 . 10146 1 1078 . 1 1 101 101 PRO HB3 H 1 2.319 0.030 . 2 . . . . 101 PRO HB3 . 10146 1 1079 . 1 1 101 101 PRO CG C 13 27.493 0.300 . 1 . . . . 101 PRO CG . 10146 1 1080 . 1 1 101 101 PRO HG2 H 1 2.093 0.030 . 1 . . . . 101 PRO HG2 . 10146 1 1081 . 1 1 101 101 PRO HG3 H 1 2.093 0.030 . 1 . . . . 101 PRO HG3 . 10146 1 1082 . 1 1 101 101 PRO CD C 13 50.787 0.300 . 1 . . . . 101 PRO CD . 10146 1 1083 . 1 1 101 101 PRO HD2 H 1 3.783 0.030 . 2 . . . . 101 PRO HD2 . 10146 1 1084 . 1 1 101 101 PRO HD3 H 1 3.871 0.030 . 2 . . . . 101 PRO HD3 . 10146 1 1085 . 1 1 101 101 PRO C C 13 176.976 0.300 . 1 . . . . 101 PRO C . 10146 1 1086 . 1 1 102 102 SER N N 15 116.530 0.300 . 1 . . . . 102 SER N . 10146 1 1087 . 1 1 102 102 SER H H 1 8.527 0.030 . 1 . . . . 102 SER H . 10146 1 1088 . 1 1 102 102 SER CA C 13 58.283 0.300 . 1 . . . . 102 SER CA . 10146 1 1089 . 1 1 102 102 SER HA H 1 4.433 0.030 . 1 . . . . 102 SER HA . 10146 1 1090 . 1 1 102 102 SER CB C 13 64.078 0.300 . 1 . . . . 102 SER CB . 10146 1 1091 . 1 1 102 102 SER HB2 H 1 3.837 0.030 . 2 . . . . 102 SER HB2 . 10146 1 1092 . 1 1 102 102 SER HB3 H 1 3.906 0.030 . 2 . . . . 102 SER HB3 . 10146 1 1093 . 1 1 102 102 SER C C 13 174.510 0.300 . 1 . . . . 102 SER C . 10146 1 1094 . 1 1 103 103 ASP N N 15 123.018 0.300 . 1 . . . . 103 ASP N . 10146 1 1095 . 1 1 103 103 ASP H H 1 8.450 0.030 . 1 . . . . 103 ASP H . 10146 1 1096 . 1 1 103 103 ASP CA C 13 54.431 0.300 . 1 . . . . 103 ASP CA . 10146 1 1097 . 1 1 103 103 ASP HA H 1 4.654 0.030 . 1 . . . . 103 ASP HA . 10146 1 1098 . 1 1 103 103 ASP CB C 13 41.226 0.300 . 1 . . . . 103 ASP CB . 10146 1 1099 . 1 1 103 103 ASP HB2 H 1 2.617 0.030 . 2 . . . . 103 ASP HB2 . 10146 1 1100 . 1 1 103 103 ASP HB3 H 1 2.718 0.030 . 2 . . . . 103 ASP HB3 . 10146 1 1101 . 1 1 103 103 ASP C C 13 175.889 0.300 . 1 . . . . 103 ASP C . 10146 1 1102 . 1 1 104 104 ASP N N 15 120.896 0.300 . 1 . . . . 104 ASP N . 10146 1 1103 . 1 1 104 104 ASP H H 1 8.264 0.030 . 1 . . . . 104 ASP H . 10146 1 1104 . 1 1 104 104 ASP CA C 13 54.283 0.300 . 1 . . . . 104 ASP CA . 10146 1 1105 . 1 1 104 104 ASP HA H 1 4.601 0.030 . 1 . . . . 104 ASP HA . 10146 1 1106 . 1 1 104 104 ASP CB C 13 41.183 0.300 . 1 . . . . 104 ASP CB . 10146 1 1107 . 1 1 104 104 ASP HB2 H 1 2.575 0.030 . 2 . . . . 104 ASP HB2 . 10146 1 1108 . 1 1 104 104 ASP HB3 H 1 2.707 0.030 . 2 . . . . 104 ASP HB3 . 10146 1 1109 . 1 1 104 104 ASP C C 13 175.065 0.300 . 1 . . . . 104 ASP C . 10146 1 1110 . 1 1 105 105 ALA N N 15 129.568 0.300 . 1 . . . . 105 ALA N . 10146 1 1111 . 1 1 105 105 ALA H H 1 7.805 0.030 . 1 . . . . 105 ALA H . 10146 1 1112 . 1 1 105 105 ALA CA C 13 53.978 0.300 . 1 . . . . 105 ALA CA . 10146 1 1113 . 1 1 105 105 ALA HA H 1 4.094 0.030 . 1 . . . . 105 ALA HA . 10146 1 1114 . 1 1 105 105 ALA CB C 13 20.206 0.300 . 1 . . . . 105 ALA CB . 10146 1 1115 . 1 1 105 105 ALA HB1 H 1 1.335 0.030 . 1 . . . . 105 ALA HB . 10146 1 1116 . 1 1 105 105 ALA HB2 H 1 1.335 0.030 . 1 . . . . 105 ALA HB . 10146 1 1117 . 1 1 105 105 ALA HB3 H 1 1.335 0.030 . 1 . . . . 105 ALA HB . 10146 1 1118 . 1 1 105 105 ALA C C 13 182.792 0.300 . 1 . . . . 105 ALA C . 10146 1 stop_ save_