data_10241 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10241 _Entry.Title ; Solution structures of the SH3 domain of human rho guanine exchange factor (GEF) 16 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-24 _Entry.Accession_date 2008-10-28 _Entry.Last_release_date 2009-11-03 _Entry.Original_release_date 2009-11-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 M. Sato . . . 10241 2 K. Saito . . . 10241 3 S. Koshiba . . . 10241 4 M. Inoue . . . 10241 5 T. Kigawa . . . 10241 6 S. Yokoyama . . . 10241 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10241 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10241 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 319 10241 '15N chemical shifts' 77 10241 '1H chemical shifts' 498 10241 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 . . 2009-11-03 2008-10-24 original author . 10241 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X6B 'BMRB Entry Tracking System' 10241 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10241 _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 structures of the SH3 domain of human rho guanine exchange factor (GEF) 16 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 M. Sato . . . 10241 1 2 K. Saito . . . 10241 1 3 S. Koshiba . . . 10241 1 4 M. Inoue . . . 10241 1 5 T. Kigawa . . . 10241 1 6 S. Yokoyama . . . 10241 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10241 _Assembly.ID 1 _Assembly.Name 'Rho guanine exchange factor (GEF) 16' _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 'SH3 domain' 1 $entity_1 . . yes native no no . . . 10241 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 1X6B . . . . . . 10241 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10241 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 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 ; GSSGSSGWQGLSSKGDLPQV EITKAFFAKQADEVTLQQAD VVLVLQQEDGWLYGERLRDG ETGWFPEDFARFISGPSSG ; _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 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1X6B . "Solution Structures Of The Sh3 Domain Of Human Rho Guanine Exchange Factor (Gef) 16" . . . . . 100.00 79 100.00 100.00 3.61e-47 . . . . 10241 1 2 no DBJ BAA13745 . "neuroblastoma [Homo sapiens]" . . . . . 86.08 421 97.06 98.53 3.87e-38 . . . . 10241 1 3 no DBJ BAG53186 . "unnamed protein product [Homo sapiens]" . . . . . 86.08 709 97.06 98.53 4.94e-37 . . . . 10241 1 4 no DBJ BAG58889 . "unnamed protein product [Homo sapiens]" . . . . . 86.08 413 97.06 98.53 7.19e-38 . . . . 10241 1 5 no GB AAH02681 . "Rho guanine exchange factor (GEF) 16 [Homo sapiens]" . . . . . 86.08 421 97.06 98.53 3.87e-38 . . . . 10241 1 6 no GB AAH51838 . "ARHGEF16 protein [Homo sapiens]" . . . . . 86.08 421 97.06 98.53 3.57e-38 . . . . 10241 1 7 no GB AAP35934 . "Rho guanine exchange factor (GEF) 16 [Homo sapiens]" . . . . . 86.08 421 97.06 98.53 3.87e-38 . . . . 10241 1 8 no GB AAP36764 . "Homo sapiens Rho guanine exchange factor (GEF) 16 [synthetic construct]" . . . . . 86.08 422 97.06 98.53 3.40e-38 . . . . 10241 1 9 no GB AAX29017 . "Rho guanine exchange factor, partial [synthetic construct]" . . . . . 86.08 422 97.06 98.53 3.40e-38 . . . . 10241 1 10 no REF NP_055263 . "rho guanine nucleotide exchange factor 16 [Homo sapiens]" . . . . . 86.08 709 97.06 98.53 4.03e-37 . . . . 10241 1 11 no REF XP_004024598 . "PREDICTED: rho guanine nucleotide exchange factor 16-like, partial [Gorilla gorilla gorilla]" . . . . . 86.08 218 97.06 98.53 1.10e-38 . . . . 10241 1 12 no REF XP_008968944 . "PREDICTED: rho guanine nucleotide exchange factor 16 [Pan paniscus]" . . . . . 86.08 725 97.06 98.53 5.04e-37 . . . . 10241 1 13 no REF XP_009234043 . "PREDICTED: rho guanine nucleotide exchange factor 16 [Pongo abelii]" . . . . . 86.08 683 97.06 98.53 3.73e-37 . . . . 10241 1 14 no REF XP_009445318 . "PREDICTED: rho guanine nucleotide exchange factor 16 [Pan troglodytes]" . . . . . 86.08 662 97.06 98.53 4.32e-37 . . . . 10241 1 15 no SP Q5VV41 . "RecName: Full=Rho guanine nucleotide exchange factor 16; AltName: Full=Ephexin-4" . . . . . 86.08 709 97.06 98.53 4.03e-37 . . . . 10241 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 . 10241 1 2 . SER . 10241 1 3 . SER . 10241 1 4 . GLY . 10241 1 5 . SER . 10241 1 6 . SER . 10241 1 7 . GLY . 10241 1 8 . TRP . 10241 1 9 . GLN . 10241 1 10 . GLY . 10241 1 11 . LEU . 10241 1 12 . SER . 10241 1 13 . SER . 10241 1 14 . LYS . 10241 1 15 . GLY . 10241 1 16 . ASP . 10241 1 17 . LEU . 10241 1 18 . PRO . 10241 1 19 . GLN . 10241 1 20 . VAL . 10241 1 21 . GLU . 10241 1 22 . ILE . 10241 1 23 . THR . 10241 1 24 . LYS . 10241 1 25 . ALA . 10241 1 26 . PHE . 10241 1 27 . PHE . 10241 1 28 . ALA . 10241 1 29 . LYS . 10241 1 30 . GLN . 10241 1 31 . ALA . 10241 1 32 . ASP . 10241 1 33 . GLU . 10241 1 34 . VAL . 10241 1 35 . THR . 10241 1 36 . LEU . 10241 1 37 . GLN . 10241 1 38 . GLN . 10241 1 39 . ALA . 10241 1 40 . ASP . 10241 1 41 . VAL . 10241 1 42 . VAL . 10241 1 43 . LEU . 10241 1 44 . VAL . 10241 1 45 . LEU . 10241 1 46 . GLN . 10241 1 47 . GLN . 10241 1 48 . GLU . 10241 1 49 . ASP . 10241 1 50 . GLY . 10241 1 51 . TRP . 10241 1 52 . LEU . 10241 1 53 . TYR . 10241 1 54 . GLY . 10241 1 55 . GLU . 10241 1 56 . ARG . 10241 1 57 . LEU . 10241 1 58 . ARG . 10241 1 59 . ASP . 10241 1 60 . GLY . 10241 1 61 . GLU . 10241 1 62 . THR . 10241 1 63 . GLY . 10241 1 64 . TRP . 10241 1 65 . PHE . 10241 1 66 . PRO . 10241 1 67 . GLU . 10241 1 68 . ASP . 10241 1 69 . PHE . 10241 1 70 . ALA . 10241 1 71 . ARG . 10241 1 72 . PHE . 10241 1 73 . ILE . 10241 1 74 . SER . 10241 1 75 . GLY . 10241 1 76 . PRO . 10241 1 77 . SER . 10241 1 78 . SER . 10241 1 79 . GLY . 10241 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 10241 1 . SER 2 2 10241 1 . SER 3 3 10241 1 . GLY 4 4 10241 1 . SER 5 5 10241 1 . SER 6 6 10241 1 . GLY 7 7 10241 1 . TRP 8 8 10241 1 . GLN 9 9 10241 1 . GLY 10 10 10241 1 . LEU 11 11 10241 1 . SER 12 12 10241 1 . SER 13 13 10241 1 . LYS 14 14 10241 1 . GLY 15 15 10241 1 . ASP 16 16 10241 1 . LEU 17 17 10241 1 . PRO 18 18 10241 1 . GLN 19 19 10241 1 . VAL 20 20 10241 1 . GLU 21 21 10241 1 . ILE 22 22 10241 1 . THR 23 23 10241 1 . LYS 24 24 10241 1 . ALA 25 25 10241 1 . PHE 26 26 10241 1 . PHE 27 27 10241 1 . ALA 28 28 10241 1 . LYS 29 29 10241 1 . GLN 30 30 10241 1 . ALA 31 31 10241 1 . ASP 32 32 10241 1 . GLU 33 33 10241 1 . VAL 34 34 10241 1 . THR 35 35 10241 1 . LEU 36 36 10241 1 . GLN 37 37 10241 1 . GLN 38 38 10241 1 . ALA 39 39 10241 1 . ASP 40 40 10241 1 . VAL 41 41 10241 1 . VAL 42 42 10241 1 . LEU 43 43 10241 1 . VAL 44 44 10241 1 . LEU 45 45 10241 1 . GLN 46 46 10241 1 . GLN 47 47 10241 1 . GLU 48 48 10241 1 . ASP 49 49 10241 1 . GLY 50 50 10241 1 . TRP 51 51 10241 1 . LEU 52 52 10241 1 . TYR 53 53 10241 1 . GLY 54 54 10241 1 . GLU 55 55 10241 1 . ARG 56 56 10241 1 . LEU 57 57 10241 1 . ARG 58 58 10241 1 . ASP 59 59 10241 1 . GLY 60 60 10241 1 . GLU 61 61 10241 1 . THR 62 62 10241 1 . GLY 63 63 10241 1 . TRP 64 64 10241 1 . PHE 65 65 10241 1 . PRO 66 66 10241 1 . GLU 67 67 10241 1 . ASP 68 68 10241 1 . PHE 69 69 10241 1 . ALA 70 70 10241 1 . ARG 71 71 10241 1 . PHE 72 72 10241 1 . ILE 73 73 10241 1 . SER 74 74 10241 1 . GLY 75 75 10241 1 . PRO 76 76 10241 1 . SER 77 77 10241 1 . SER 78 78 10241 1 . GLY 79 79 10241 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 10241 _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 . . . . . . . . . . . . . . . . . . . . . 10241 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 10241 _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 . . P040816-12 . . . . . . 10241 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10241 _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 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10241 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10241 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10241 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10241 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10241 1 6 H2O . . . . . . solvent 90 . . % . . . . 10241 1 7 D2O . . . . . . solvent 10 . . % . . . . 10241 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 10241 _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 10241 1 pH 7.0 0.05 pH 10241 1 pressure 1 0.001 atm 10241 1 temperature 298 0.1 K 10241 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10241 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10241 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10241 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10241 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10241 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10241 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10241 _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.' . . 10241 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10241 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10241 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10241 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10241 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10241 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10241 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10241 5 'structure solution' 10241 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 10241 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10241 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10241 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 10241 _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 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10241 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10241 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 10241 _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 . . . . . . . . . 10241 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10241 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10241 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 10241 _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 10241 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10241 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 6 6 SER HA H 1 4.486 0.030 . 1 . . . . 6 SER HA . 10241 1 2 . 1 1 6 6 SER HB2 H 1 3.888 0.030 . 2 . . . . 6 SER HB2 . 10241 1 3 . 1 1 6 6 SER CA C 13 58.492 0.300 . 1 . . . . 6 SER CA . 10241 1 4 . 1 1 6 6 SER CB C 13 64.343 0.300 . 1 . . . . 6 SER CB . 10241 1 5 . 1 1 7 7 GLY H H 1 8.044 0.030 . 1 . . . . 7 GLY H . 10241 1 6 . 1 1 7 7 GLY HA2 H 1 4.458 0.030 . 2 . . . . 7 GLY HA2 . 10241 1 7 . 1 1 7 7 GLY HA3 H 1 3.780 0.030 . 2 . . . . 7 GLY HA3 . 10241 1 8 . 1 1 7 7 GLY C C 13 174.131 0.300 . 1 . . . . 7 GLY C . 10241 1 9 . 1 1 7 7 GLY CA C 13 45.458 0.300 . 1 . . . . 7 GLY CA . 10241 1 10 . 1 1 7 7 GLY N N 15 116.867 0.300 . 1 . . . . 7 GLY N . 10241 1 11 . 1 1 8 8 TRP H H 1 8.111 0.030 . 1 . . . . 8 TRP H . 10241 1 12 . 1 1 8 8 TRP HA H 1 4.626 0.030 . 1 . . . . 8 TRP HA . 10241 1 13 . 1 1 8 8 TRP HB2 H 1 3.257 0.030 . 1 . . . . 8 TRP HB2 . 10241 1 14 . 1 1 8 8 TRP HB3 H 1 3.257 0.030 . 1 . . . . 8 TRP HB3 . 10241 1 15 . 1 1 8 8 TRP HD1 H 1 7.250 0.030 . 1 . . . . 8 TRP HD1 . 10241 1 16 . 1 1 8 8 TRP HE1 H 1 10.159 0.030 . 1 . . . . 8 TRP HE1 . 10241 1 17 . 1 1 8 8 TRP HE3 H 1 7.564 0.030 . 1 . . . . 8 TRP HE3 . 10241 1 18 . 1 1 8 8 TRP HH2 H 1 7.180 0.030 . 1 . . . . 8 TRP HH2 . 10241 1 19 . 1 1 8 8 TRP HZ2 H 1 7.447 0.030 . 1 . . . . 8 TRP HZ2 . 10241 1 20 . 1 1 8 8 TRP HZ3 H 1 7.101 0.030 . 1 . . . . 8 TRP HZ3 . 10241 1 21 . 1 1 8 8 TRP C C 13 176.673 0.300 . 1 . . . . 8 TRP C . 10241 1 22 . 1 1 8 8 TRP CA C 13 57.729 0.300 . 1 . . . . 8 TRP CA . 10241 1 23 . 1 1 8 8 TRP CB C 13 29.413 0.300 . 1 . . . . 8 TRP CB . 10241 1 24 . 1 1 8 8 TRP CD1 C 13 127.339 0.300 . 1 . . . . 8 TRP CD1 . 10241 1 25 . 1 1 8 8 TRP CE3 C 13 120.986 0.300 . 1 . . . . 8 TRP CE3 . 10241 1 26 . 1 1 8 8 TRP CH2 C 13 124.739 0.300 . 1 . . . . 8 TRP CH2 . 10241 1 27 . 1 1 8 8 TRP CZ2 C 13 114.632 0.300 . 1 . . . . 8 TRP CZ2 . 10241 1 28 . 1 1 8 8 TRP CZ3 C 13 122.143 0.300 . 1 . . . . 8 TRP CZ3 . 10241 1 29 . 1 1 8 8 TRP N N 15 121.258 0.300 . 1 . . . . 8 TRP N . 10241 1 30 . 1 1 8 8 TRP NE1 N 15 129.645 0.300 . 1 . . . . 8 TRP NE1 . 10241 1 31 . 1 1 9 9 GLN H H 1 8.229 0.030 . 1 . . . . 9 GLN H . 10241 1 32 . 1 1 9 9 GLN HA H 1 4.133 0.030 . 1 . . . . 9 GLN HA . 10241 1 33 . 1 1 9 9 GLN HB2 H 1 1.987 0.030 . 2 . . . . 9 GLN HB2 . 10241 1 34 . 1 1 9 9 GLN HB3 H 1 1.773 0.030 . 2 . . . . 9 GLN HB3 . 10241 1 35 . 1 1 9 9 GLN HE21 H 1 7.334 0.030 . 2 . . . . 9 GLN HE21 . 10241 1 36 . 1 1 9 9 GLN HE22 H 1 6.792 0.030 . 2 . . . . 9 GLN HE22 . 10241 1 37 . 1 1 9 9 GLN HG2 H 1 2.141 0.030 . 2 . . . . 9 GLN HG2 . 10241 1 38 . 1 1 9 9 GLN HG3 H 1 2.058 0.030 . 2 . . . . 9 GLN HG3 . 10241 1 39 . 1 1 9 9 GLN C C 13 176.147 0.300 . 1 . . . . 9 GLN C . 10241 1 40 . 1 1 9 9 GLN CA C 13 56.283 0.300 . 1 . . . . 9 GLN CA . 10241 1 41 . 1 1 9 9 GLN CB C 13 29.125 0.300 . 1 . . . . 9 GLN CB . 10241 1 42 . 1 1 9 9 GLN CG C 13 33.523 0.300 . 1 . . . . 9 GLN CG . 10241 1 43 . 1 1 9 9 GLN N N 15 122.756 0.300 . 1 . . . . 9 GLN N . 10241 1 44 . 1 1 9 9 GLN NE2 N 15 112.298 0.300 . 1 . . . . 9 GLN NE2 . 10241 1 45 . 1 1 10 10 GLY H H 1 7.500 0.030 . 1 . . . . 10 GLY H . 10241 1 46 . 1 1 10 10 GLY HA2 H 1 3.744 0.030 . 2 . . . . 10 GLY HA2 . 10241 1 47 . 1 1 10 10 GLY HA3 H 1 3.714 0.030 . 2 . . . . 10 GLY HA3 . 10241 1 48 . 1 1 10 10 GLY C C 13 174.092 0.300 . 1 . . . . 10 GLY C . 10241 1 49 . 1 1 10 10 GLY CA C 13 45.335 0.300 . 1 . . . . 10 GLY CA . 10241 1 50 . 1 1 10 10 GLY N N 15 108.221 0.300 . 1 . . . . 10 GLY N . 10241 1 51 . 1 1 11 11 LEU H H 1 8.029 0.030 . 1 . . . . 11 LEU H . 10241 1 52 . 1 1 11 11 LEU HA H 1 4.368 0.030 . 1 . . . . 11 LEU HA . 10241 1 53 . 1 1 11 11 LEU HB2 H 1 1.692 0.030 . 2 . . . . 11 LEU HB2 . 10241 1 54 . 1 1 11 11 LEU HB3 H 1 1.633 0.030 . 2 . . . . 11 LEU HB3 . 10241 1 55 . 1 1 11 11 LEU HD11 H 1 0.935 0.030 . 1 . . . . 11 LEU HD1 . 10241 1 56 . 1 1 11 11 LEU HD12 H 1 0.935 0.030 . 1 . . . . 11 LEU HD1 . 10241 1 57 . 1 1 11 11 LEU HD13 H 1 0.935 0.030 . 1 . . . . 11 LEU HD1 . 10241 1 58 . 1 1 11 11 LEU HD21 H 1 0.884 0.030 . 1 . . . . 11 LEU HD2 . 10241 1 59 . 1 1 11 11 LEU HD22 H 1 0.884 0.030 . 1 . . . . 11 LEU HD2 . 10241 1 60 . 1 1 11 11 LEU HD23 H 1 0.884 0.030 . 1 . . . . 11 LEU HD2 . 10241 1 61 . 1 1 11 11 LEU HG H 1 1.639 0.030 . 1 . . . . 11 LEU HG . 10241 1 62 . 1 1 11 11 LEU C C 13 177.808 0.300 . 1 . . . . 11 LEU C . 10241 1 63 . 1 1 11 11 LEU CA C 13 55.348 0.300 . 1 . . . . 11 LEU CA . 10241 1 64 . 1 1 11 11 LEU CB C 13 42.515 0.300 . 1 . . . . 11 LEU CB . 10241 1 65 . 1 1 11 11 LEU CD1 C 13 25.142 0.300 . 2 . . . . 11 LEU CD1 . 10241 1 66 . 1 1 11 11 LEU CD2 C 13 23.517 0.300 . 2 . . . . 11 LEU CD2 . 10241 1 67 . 1 1 11 11 LEU CG C 13 27.152 0.300 . 1 . . . . 11 LEU CG . 10241 1 68 . 1 1 11 11 LEU N N 15 121.136 0.300 . 1 . . . . 11 LEU N . 10241 1 69 . 1 1 12 12 SER H H 1 8.388 0.030 . 1 . . . . 12 SER H . 10241 1 70 . 1 1 12 12 SER HA H 1 4.370 0.030 . 1 . . . . 12 SER HA . 10241 1 71 . 1 1 12 12 SER HB2 H 1 3.893 0.030 . 1 . . . . 12 SER HB2 . 10241 1 72 . 1 1 12 12 SER HB3 H 1 3.893 0.030 . 1 . . . . 12 SER HB3 . 10241 1 73 . 1 1 12 12 SER CA C 13 58.716 0.300 . 1 . . . . 12 SER CA . 10241 1 74 . 1 1 12 12 SER CB C 13 63.835 0.300 . 1 . . . . 12 SER CB . 10241 1 75 . 1 1 12 12 SER N N 15 116.252 0.300 . 1 . . . . 12 SER N . 10241 1 76 . 1 1 13 13 SER HA H 1 4.481 0.030 . 1 . . . . 13 SER HA . 10241 1 77 . 1 1 13 13 SER HB2 H 1 3.925 0.030 . 1 . . . . 13 SER HB2 . 10241 1 78 . 1 1 13 13 SER HB3 H 1 3.925 0.030 . 1 . . . . 13 SER HB3 . 10241 1 79 . 1 1 13 13 SER C C 13 175.161 0.300 . 1 . . . . 13 SER C . 10241 1 80 . 1 1 13 13 SER CA C 13 58.442 0.300 . 1 . . . . 13 SER CA . 10241 1 81 . 1 1 13 13 SER CB C 13 63.798 0.300 . 1 . . . . 13 SER CB . 10241 1 82 . 1 1 14 14 LYS H H 1 8.372 0.030 . 1 . . . . 14 LYS H . 10241 1 83 . 1 1 14 14 LYS HA H 1 4.226 0.030 . 1 . . . . 14 LYS HA . 10241 1 84 . 1 1 14 14 LYS HB2 H 1 1.866 0.030 . 2 . . . . 14 LYS HB2 . 10241 1 85 . 1 1 14 14 LYS HB3 H 1 1.728 0.030 . 2 . . . . 14 LYS HB3 . 10241 1 86 . 1 1 14 14 LYS HD2 H 1 1.619 0.030 . 1 . . . . 14 LYS HD2 . 10241 1 87 . 1 1 14 14 LYS HD3 H 1 1.619 0.030 . 1 . . . . 14 LYS HD3 . 10241 1 88 . 1 1 14 14 LYS HE2 H 1 2.894 0.030 . 1 . . . . 14 LYS HE2 . 10241 1 89 . 1 1 14 14 LYS HE3 H 1 2.894 0.030 . 1 . . . . 14 LYS HE3 . 10241 1 90 . 1 1 14 14 LYS HG2 H 1 1.425 0.030 . 2 . . . . 14 LYS HG2 . 10241 1 91 . 1 1 14 14 LYS HG3 H 1 1.342 0.030 . 2 . . . . 14 LYS HG3 . 10241 1 92 . 1 1 14 14 LYS C C 13 177.249 0.300 . 1 . . . . 14 LYS C . 10241 1 93 . 1 1 14 14 LYS CA C 13 57.303 0.300 . 1 . . . . 14 LYS CA . 10241 1 94 . 1 1 14 14 LYS CB C 13 32.694 0.300 . 1 . . . . 14 LYS CB . 10241 1 95 . 1 1 14 14 LYS CD C 13 29.187 0.300 . 1 . . . . 14 LYS CD . 10241 1 96 . 1 1 14 14 LYS CE C 13 42.090 0.300 . 1 . . . . 14 LYS CE . 10241 1 97 . 1 1 14 14 LYS CG C 13 25.159 0.300 . 1 . . . . 14 LYS CG . 10241 1 98 . 1 1 14 14 LYS N N 15 123.245 0.300 . 1 . . . . 14 LYS N . 10241 1 99 . 1 1 15 15 GLY H H 1 8.213 0.030 . 1 . . . . 15 GLY H . 10241 1 100 . 1 1 15 15 GLY HA2 H 1 3.924 0.030 . 1 . . . . 15 GLY HA2 . 10241 1 101 . 1 1 15 15 GLY HA3 H 1 3.924 0.030 . 1 . . . . 15 GLY HA3 . 10241 1 102 . 1 1 15 15 GLY C C 13 173.863 0.300 . 1 . . . . 15 GLY C . 10241 1 103 . 1 1 15 15 GLY CA C 13 45.599 0.300 . 1 . . . . 15 GLY CA . 10241 1 104 . 1 1 15 15 GLY N N 15 107.368 0.300 . 1 . . . . 15 GLY N . 10241 1 105 . 1 1 16 16 ASP H H 1 8.091 0.030 . 1 . . . . 16 ASP H . 10241 1 106 . 1 1 16 16 ASP HA H 1 4.711 0.030 . 1 . . . . 16 ASP HA . 10241 1 107 . 1 1 16 16 ASP HB2 H 1 2.780 0.030 . 2 . . . . 16 ASP HB2 . 10241 1 108 . 1 1 16 16 ASP HB3 H 1 2.605 0.030 . 2 . . . . 16 ASP HB3 . 10241 1 109 . 1 1 16 16 ASP C C 13 176.074 0.300 . 1 . . . . 16 ASP C . 10241 1 110 . 1 1 16 16 ASP CA C 13 54.167 0.300 . 1 . . . . 16 ASP CA . 10241 1 111 . 1 1 16 16 ASP CB C 13 41.155 0.300 . 1 . . . . 16 ASP CB . 10241 1 112 . 1 1 16 16 ASP N N 15 119.368 0.300 . 1 . . . . 16 ASP N . 10241 1 113 . 1 1 17 17 LEU H H 1 7.757 0.030 . 1 . . . . 17 LEU H . 10241 1 114 . 1 1 17 17 LEU HA H 1 4.641 0.030 . 1 . . . . 17 LEU HA . 10241 1 115 . 1 1 17 17 LEU HB2 H 1 1.704 0.030 . 1 . . . . 17 LEU HB2 . 10241 1 116 . 1 1 17 17 LEU HB3 H 1 1.704 0.030 . 1 . . . . 17 LEU HB3 . 10241 1 117 . 1 1 17 17 LEU HD11 H 1 0.949 0.030 . 1 . . . . 17 LEU HD1 . 10241 1 118 . 1 1 17 17 LEU HD12 H 1 0.949 0.030 . 1 . . . . 17 LEU HD1 . 10241 1 119 . 1 1 17 17 LEU HD13 H 1 0.949 0.030 . 1 . . . . 17 LEU HD1 . 10241 1 120 . 1 1 17 17 LEU HD21 H 1 1.031 0.030 . 1 . . . . 17 LEU HD2 . 10241 1 121 . 1 1 17 17 LEU HD22 H 1 1.031 0.030 . 1 . . . . 17 LEU HD2 . 10241 1 122 . 1 1 17 17 LEU HD23 H 1 1.031 0.030 . 1 . . . . 17 LEU HD2 . 10241 1 123 . 1 1 17 17 LEU HG H 1 1.760 0.030 . 1 . . . . 17 LEU HG . 10241 1 124 . 1 1 17 17 LEU C C 13 174.627 0.300 . 1 . . . . 17 LEU C . 10241 1 125 . 1 1 17 17 LEU CA C 13 53.286 0.300 . 1 . . . . 17 LEU CA . 10241 1 126 . 1 1 17 17 LEU CB C 13 41.003 0.300 . 1 . . . . 17 LEU CB . 10241 1 127 . 1 1 17 17 LEU CD1 C 13 26.227 0.300 . 2 . . . . 17 LEU CD1 . 10241 1 128 . 1 1 17 17 LEU CD2 C 13 22.708 0.300 . 2 . . . . 17 LEU CD2 . 10241 1 129 . 1 1 17 17 LEU CG C 13 27.217 0.300 . 1 . . . . 17 LEU CG . 10241 1 130 . 1 1 17 17 LEU N N 15 122.770 0.300 . 1 . . . . 17 LEU N . 10241 1 131 . 1 1 18 18 PRO HA H 1 4.619 0.030 . 1 . . . . 18 PRO HA . 10241 1 132 . 1 1 18 18 PRO HB2 H 1 2.557 0.030 . 2 . . . . 18 PRO HB2 . 10241 1 133 . 1 1 18 18 PRO HB3 H 1 1.970 0.030 . 2 . . . . 18 PRO HB3 . 10241 1 134 . 1 1 18 18 PRO HD2 H 1 3.978 0.030 . 2 . . . . 18 PRO HD2 . 10241 1 135 . 1 1 18 18 PRO HD3 H 1 3.921 0.030 . 2 . . . . 18 PRO HD3 . 10241 1 136 . 1 1 18 18 PRO HG2 H 1 2.200 0.030 . 2 . . . . 18 PRO HG2 . 10241 1 137 . 1 1 18 18 PRO HG3 H 1 2.107 0.030 . 2 . . . . 18 PRO HG3 . 10241 1 138 . 1 1 18 18 PRO C C 13 175.014 0.300 . 1 . . . . 18 PRO C . 10241 1 139 . 1 1 18 18 PRO CA C 13 62.756 0.300 . 1 . . . . 18 PRO CA . 10241 1 140 . 1 1 18 18 PRO CB C 13 32.631 0.300 . 1 . . . . 18 PRO CB . 10241 1 141 . 1 1 18 18 PRO CD C 13 50.423 0.300 . 1 . . . . 18 PRO CD . 10241 1 142 . 1 1 18 18 PRO CG C 13 27.426 0.300 . 1 . . . . 18 PRO CG . 10241 1 143 . 1 1 19 19 GLN H H 1 8.295 0.030 . 1 . . . . 19 GLN H . 10241 1 144 . 1 1 19 19 GLN HA H 1 5.396 0.030 . 1 . . . . 19 GLN HA . 10241 1 145 . 1 1 19 19 GLN HB2 H 1 1.886 0.030 . 2 . . . . 19 GLN HB2 . 10241 1 146 . 1 1 19 19 GLN HB3 H 1 1.803 0.030 . 2 . . . . 19 GLN HB3 . 10241 1 147 . 1 1 19 19 GLN HE21 H 1 7.182 0.030 . 2 . . . . 19 GLN HE21 . 10241 1 148 . 1 1 19 19 GLN HE22 H 1 6.509 0.030 . 2 . . . . 19 GLN HE22 . 10241 1 149 . 1 1 19 19 GLN HG2 H 1 2.422 0.030 . 2 . . . . 19 GLN HG2 . 10241 1 150 . 1 1 19 19 GLN HG3 H 1 2.061 0.030 . 2 . . . . 19 GLN HG3 . 10241 1 151 . 1 1 19 19 GLN C C 13 176.012 0.300 . 1 . . . . 19 GLN C . 10241 1 152 . 1 1 19 19 GLN CA C 13 54.094 0.300 . 1 . . . . 19 GLN CA . 10241 1 153 . 1 1 19 19 GLN CB C 13 32.478 0.300 . 1 . . . . 19 GLN CB . 10241 1 154 . 1 1 19 19 GLN CG C 13 34.456 0.300 . 1 . . . . 19 GLN CG . 10241 1 155 . 1 1 19 19 GLN N N 15 117.612 0.300 . 1 . . . . 19 GLN N . 10241 1 156 . 1 1 19 19 GLN NE2 N 15 108.357 0.300 . 1 . . . . 19 GLN NE2 . 10241 1 157 . 1 1 20 20 VAL H H 1 9.005 0.030 . 1 . . . . 20 VAL H . 10241 1 158 . 1 1 20 20 VAL HA H 1 5.133 0.030 . 1 . . . . 20 VAL HA . 10241 1 159 . 1 1 20 20 VAL HB H 1 1.641 0.030 . 1 . . . . 20 VAL HB . 10241 1 160 . 1 1 20 20 VAL HG11 H 1 -0.130 0.030 . 1 . . . . 20 VAL HG1 . 10241 1 161 . 1 1 20 20 VAL HG12 H 1 -0.130 0.030 . 1 . . . . 20 VAL HG1 . 10241 1 162 . 1 1 20 20 VAL HG13 H 1 -0.130 0.030 . 1 . . . . 20 VAL HG1 . 10241 1 163 . 1 1 20 20 VAL HG21 H 1 0.569 0.030 . 1 . . . . 20 VAL HG2 . 10241 1 164 . 1 1 20 20 VAL HG22 H 1 0.569 0.030 . 1 . . . . 20 VAL HG2 . 10241 1 165 . 1 1 20 20 VAL HG23 H 1 0.569 0.030 . 1 . . . . 20 VAL HG2 . 10241 1 166 . 1 1 20 20 VAL C C 13 173.875 0.300 . 1 . . . . 20 VAL C . 10241 1 167 . 1 1 20 20 VAL CA C 13 57.486 0.300 . 1 . . . . 20 VAL CA . 10241 1 168 . 1 1 20 20 VAL CB C 13 35.076 0.300 . 1 . . . . 20 VAL CB . 10241 1 169 . 1 1 20 20 VAL CG1 C 13 20.270 0.300 . 2 . . . . 20 VAL CG1 . 10241 1 170 . 1 1 20 20 VAL CG2 C 13 19.231 0.300 . 2 . . . . 20 VAL CG2 . 10241 1 171 . 1 1 20 20 VAL N N 15 112.092 0.300 . 1 . . . . 20 VAL N . 10241 1 172 . 1 1 21 21 GLU H H 1 8.901 0.030 . 1 . . . . 21 GLU H . 10241 1 173 . 1 1 21 21 GLU HA H 1 5.199 0.030 . 1 . . . . 21 GLU HA . 10241 1 174 . 1 1 21 21 GLU HB2 H 1 1.825 0.030 . 1 . . . . 21 GLU HB2 . 10241 1 175 . 1 1 21 21 GLU HB3 H 1 1.825 0.030 . 1 . . . . 21 GLU HB3 . 10241 1 176 . 1 1 21 21 GLU HG2 H 1 1.990 0.030 . 1 . . . . 21 GLU HG2 . 10241 1 177 . 1 1 21 21 GLU HG3 H 1 1.990 0.030 . 1 . . . . 21 GLU HG3 . 10241 1 178 . 1 1 21 21 GLU C C 13 175.780 0.300 . 1 . . . . 21 GLU C . 10241 1 179 . 1 1 21 21 GLU CA C 13 53.268 0.300 . 1 . . . . 21 GLU CA . 10241 1 180 . 1 1 21 21 GLU CB C 13 32.997 0.300 . 1 . . . . 21 GLU CB . 10241 1 181 . 1 1 21 21 GLU CG C 13 36.794 0.300 . 1 . . . . 21 GLU CG . 10241 1 182 . 1 1 21 21 GLU N N 15 119.970 0.300 . 1 . . . . 21 GLU N . 10241 1 183 . 1 1 22 22 ILE H H 1 8.656 0.030 . 1 . . . . 22 ILE H . 10241 1 184 . 1 1 22 22 ILE HA H 1 4.742 0.030 . 1 . . . . 22 ILE HA . 10241 1 185 . 1 1 22 22 ILE HB H 1 2.247 0.030 . 1 . . . . 22 ILE HB . 10241 1 186 . 1 1 22 22 ILE HD11 H 1 0.213 0.030 . 1 . . . . 22 ILE HD1 . 10241 1 187 . 1 1 22 22 ILE HD12 H 1 0.213 0.030 . 1 . . . . 22 ILE HD1 . 10241 1 188 . 1 1 22 22 ILE HD13 H 1 0.213 0.030 . 1 . . . . 22 ILE HD1 . 10241 1 189 . 1 1 22 22 ILE HG12 H 1 1.512 0.030 . 2 . . . . 22 ILE HG12 . 10241 1 190 . 1 1 22 22 ILE HG13 H 1 1.028 0.030 . 2 . . . . 22 ILE HG13 . 10241 1 191 . 1 1 22 22 ILE HG21 H 1 0.858 0.030 . 1 . . . . 22 ILE HG2 . 10241 1 192 . 1 1 22 22 ILE HG22 H 1 0.858 0.030 . 1 . . . . 22 ILE HG2 . 10241 1 193 . 1 1 22 22 ILE HG23 H 1 0.858 0.030 . 1 . . . . 22 ILE HG2 . 10241 1 194 . 1 1 22 22 ILE C C 13 179.107 0.300 . 1 . . . . 22 ILE C . 10241 1 195 . 1 1 22 22 ILE CA C 13 58.064 0.300 . 1 . . . . 22 ILE CA . 10241 1 196 . 1 1 22 22 ILE CB C 13 34.481 0.300 . 1 . . . . 22 ILE CB . 10241 1 197 . 1 1 22 22 ILE CD1 C 13 9.816 0.300 . 1 . . . . 22 ILE CD1 . 10241 1 198 . 1 1 22 22 ILE CG1 C 13 26.877 0.300 . 1 . . . . 22 ILE CG1 . 10241 1 199 . 1 1 22 22 ILE CG2 C 13 18.451 0.300 . 1 . . . . 22 ILE CG2 . 10241 1 200 . 1 1 22 22 ILE N N 15 125.654 0.300 . 1 . . . . 22 ILE N . 10241 1 201 . 1 1 23 23 THR H H 1 9.206 0.030 . 1 . . . . 23 THR H . 10241 1 202 . 1 1 23 23 THR HA H 1 4.230 0.030 . 1 . . . . 23 THR HA . 10241 1 203 . 1 1 23 23 THR HB H 1 4.254 0.030 . 1 . . . . 23 THR HB . 10241 1 204 . 1 1 23 23 THR HG21 H 1 1.097 0.030 . 1 . . . . 23 THR HG2 . 10241 1 205 . 1 1 23 23 THR HG22 H 1 1.097 0.030 . 1 . . . . 23 THR HG2 . 10241 1 206 . 1 1 23 23 THR HG23 H 1 1.097 0.030 . 1 . . . . 23 THR HG2 . 10241 1 207 . 1 1 23 23 THR C C 13 174.481 0.300 . 1 . . . . 23 THR C . 10241 1 208 . 1 1 23 23 THR CA C 13 62.787 0.300 . 1 . . . . 23 THR CA . 10241 1 209 . 1 1 23 23 THR CB C 13 68.779 0.300 . 1 . . . . 23 THR CB . 10241 1 210 . 1 1 23 23 THR CG2 C 13 22.564 0.300 . 1 . . . . 23 THR CG2 . 10241 1 211 . 1 1 23 23 THR N N 15 122.259 0.300 . 1 . . . . 23 THR N . 10241 1 212 . 1 1 24 24 LYS H H 1 7.443 0.030 . 1 . . . . 24 LYS H . 10241 1 213 . 1 1 24 24 LYS HA H 1 4.332 0.030 . 1 . . . . 24 LYS HA . 10241 1 214 . 1 1 24 24 LYS HB2 H 1 1.630 0.030 . 2 . . . . 24 LYS HB2 . 10241 1 215 . 1 1 24 24 LYS HB3 H 1 1.564 0.030 . 2 . . . . 24 LYS HB3 . 10241 1 216 . 1 1 24 24 LYS HD2 H 1 1.233 0.030 . 1 . . . . 24 LYS HD2 . 10241 1 217 . 1 1 24 24 LYS HD3 H 1 1.233 0.030 . 1 . . . . 24 LYS HD3 . 10241 1 218 . 1 1 24 24 LYS HE2 H 1 2.447 0.030 . 2 . . . . 24 LYS HE2 . 10241 1 219 . 1 1 24 24 LYS HE3 H 1 2.104 0.030 . 2 . . . . 24 LYS HE3 . 10241 1 220 . 1 1 24 24 LYS HG2 H 1 1.255 0.030 . 1 . . . . 24 LYS HG2 . 10241 1 221 . 1 1 24 24 LYS HG3 H 1 1.255 0.030 . 1 . . . . 24 LYS HG3 . 10241 1 222 . 1 1 24 24 LYS C C 13 172.169 0.300 . 1 . . . . 24 LYS C . 10241 1 223 . 1 1 24 24 LYS CA C 13 55.154 0.300 . 1 . . . . 24 LYS CA . 10241 1 224 . 1 1 24 24 LYS CB C 13 35.137 0.300 . 1 . . . . 24 LYS CB . 10241 1 225 . 1 1 24 24 LYS CD C 13 29.363 0.300 . 1 . . . . 24 LYS CD . 10241 1 226 . 1 1 24 24 LYS CE C 13 41.632 0.300 . 1 . . . . 24 LYS CE . 10241 1 227 . 1 1 24 24 LYS CG C 13 23.717 0.300 . 1 . . . . 24 LYS CG . 10241 1 228 . 1 1 24 24 LYS N N 15 121.874 0.300 . 1 . . . . 24 LYS N . 10241 1 229 . 1 1 25 25 ALA H H 1 8.259 0.030 . 1 . . . . 25 ALA H . 10241 1 230 . 1 1 25 25 ALA HA H 1 3.914 0.030 . 1 . . . . 25 ALA HA . 10241 1 231 . 1 1 25 25 ALA HB1 H 1 1.348 0.030 . 1 . . . . 25 ALA HB . 10241 1 232 . 1 1 25 25 ALA HB2 H 1 1.348 0.030 . 1 . . . . 25 ALA HB . 10241 1 233 . 1 1 25 25 ALA HB3 H 1 1.348 0.030 . 1 . . . . 25 ALA HB . 10241 1 234 . 1 1 25 25 ALA C C 13 176.411 0.300 . 1 . . . . 25 ALA C . 10241 1 235 . 1 1 25 25 ALA CA C 13 53.409 0.300 . 1 . . . . 25 ALA CA . 10241 1 236 . 1 1 25 25 ALA CB C 13 19.113 0.300 . 1 . . . . 25 ALA CB . 10241 1 237 . 1 1 25 25 ALA N N 15 121.708 0.300 . 1 . . . . 25 ALA N . 10241 1 238 . 1 1 26 26 PHE H H 1 8.058 0.030 . 1 . . . . 26 PHE H . 10241 1 239 . 1 1 26 26 PHE HA H 1 4.742 0.030 . 1 . . . . 26 PHE HA . 10241 1 240 . 1 1 26 26 PHE HB2 H 1 2.855 0.030 . 2 . . . . 26 PHE HB2 . 10241 1 241 . 1 1 26 26 PHE HB3 H 1 2.459 0.030 . 2 . . . . 26 PHE HB3 . 10241 1 242 . 1 1 26 26 PHE HD1 H 1 7.129 0.030 . 1 . . . . 26 PHE HD1 . 10241 1 243 . 1 1 26 26 PHE HD2 H 1 7.129 0.030 . 1 . . . . 26 PHE HD2 . 10241 1 244 . 1 1 26 26 PHE HE1 H 1 7.459 0.030 . 1 . . . . 26 PHE HE1 . 10241 1 245 . 1 1 26 26 PHE HE2 H 1 7.459 0.030 . 1 . . . . 26 PHE HE2 . 10241 1 246 . 1 1 26 26 PHE HZ H 1 7.587 0.030 . 1 . . . . 26 PHE HZ . 10241 1 247 . 1 1 26 26 PHE C C 13 172.769 0.300 . 1 . . . . 26 PHE C . 10241 1 248 . 1 1 26 26 PHE CA C 13 56.354 0.300 . 1 . . . . 26 PHE CA . 10241 1 249 . 1 1 26 26 PHE CB C 13 42.608 0.300 . 1 . . . . 26 PHE CB . 10241 1 250 . 1 1 26 26 PHE CD1 C 13 132.695 0.300 . 1 . . . . 26 PHE CD1 . 10241 1 251 . 1 1 26 26 PHE CD2 C 13 132.695 0.300 . 1 . . . . 26 PHE CD2 . 10241 1 252 . 1 1 26 26 PHE CE1 C 13 131.739 0.300 . 1 . . . . 26 PHE CE1 . 10241 1 253 . 1 1 26 26 PHE CE2 C 13 131.739 0.300 . 1 . . . . 26 PHE CE2 . 10241 1 254 . 1 1 26 26 PHE CZ C 13 130.131 0.300 . 1 . . . . 26 PHE CZ . 10241 1 255 . 1 1 26 26 PHE N N 15 121.151 0.300 . 1 . . . . 26 PHE N . 10241 1 256 . 1 1 27 27 PHE H H 1 7.752 0.030 . 1 . . . . 27 PHE H . 10241 1 257 . 1 1 27 27 PHE HA H 1 4.469 0.030 . 1 . . . . 27 PHE HA . 10241 1 258 . 1 1 27 27 PHE HB2 H 1 2.854 0.030 . 2 . . . . 27 PHE HB2 . 10241 1 259 . 1 1 27 27 PHE HB3 H 1 2.637 0.030 . 2 . . . . 27 PHE HB3 . 10241 1 260 . 1 1 27 27 PHE HD1 H 1 7.224 0.030 . 1 . . . . 27 PHE HD1 . 10241 1 261 . 1 1 27 27 PHE HD2 H 1 7.224 0.030 . 1 . . . . 27 PHE HD2 . 10241 1 262 . 1 1 27 27 PHE HE1 H 1 7.304 0.030 . 1 . . . . 27 PHE HE1 . 10241 1 263 . 1 1 27 27 PHE HE2 H 1 7.304 0.030 . 1 . . . . 27 PHE HE2 . 10241 1 264 . 1 1 27 27 PHE HZ H 1 7.264 0.030 . 1 . . . . 27 PHE HZ . 10241 1 265 . 1 1 27 27 PHE C C 13 173.594 0.300 . 1 . . . . 27 PHE C . 10241 1 266 . 1 1 27 27 PHE CA C 13 56.088 0.300 . 1 . . . . 27 PHE CA . 10241 1 267 . 1 1 27 27 PHE CB C 13 39.425 0.300 . 1 . . . . 27 PHE CB . 10241 1 268 . 1 1 27 27 PHE CD1 C 13 132.168 0.300 . 1 . . . . 27 PHE CD1 . 10241 1 269 . 1 1 27 27 PHE CD2 C 13 132.168 0.300 . 1 . . . . 27 PHE CD2 . 10241 1 270 . 1 1 27 27 PHE CE1 C 13 131.158 0.300 . 1 . . . . 27 PHE CE1 . 10241 1 271 . 1 1 27 27 PHE CE2 C 13 131.158 0.300 . 1 . . . . 27 PHE CE2 . 10241 1 272 . 1 1 27 27 PHE CZ C 13 129.623 0.300 . 1 . . . . 27 PHE CZ . 10241 1 273 . 1 1 27 27 PHE N N 15 125.818 0.300 . 1 . . . . 27 PHE N . 10241 1 274 . 1 1 28 28 ALA H H 1 8.045 0.030 . 1 . . . . 28 ALA H . 10241 1 275 . 1 1 28 28 ALA HA H 1 4.002 0.030 . 1 . . . . 28 ALA HA . 10241 1 276 . 1 1 28 28 ALA HB1 H 1 1.304 0.030 . 1 . . . . 28 ALA HB . 10241 1 277 . 1 1 28 28 ALA HB2 H 1 1.304 0.030 . 1 . . . . 28 ALA HB . 10241 1 278 . 1 1 28 28 ALA HB3 H 1 1.304 0.030 . 1 . . . . 28 ALA HB . 10241 1 279 . 1 1 28 28 ALA C C 13 178.303 0.300 . 1 . . . . 28 ALA C . 10241 1 280 . 1 1 28 28 ALA CA C 13 52.898 0.300 . 1 . . . . 28 ALA CA . 10241 1 281 . 1 1 28 28 ALA CB C 13 20.853 0.300 . 1 . . . . 28 ALA CB . 10241 1 282 . 1 1 28 28 ALA N N 15 126.105 0.300 . 1 . . . . 28 ALA N . 10241 1 283 . 1 1 29 29 LYS H H 1 9.282 0.030 . 1 . . . . 29 LYS H . 10241 1 284 . 1 1 29 29 LYS HA H 1 4.524 0.030 . 1 . . . . 29 LYS HA . 10241 1 285 . 1 1 29 29 LYS HB2 H 1 2.007 0.030 . 2 . . . . 29 LYS HB2 . 10241 1 286 . 1 1 29 29 LYS HB3 H 1 1.961 0.030 . 2 . . . . 29 LYS HB3 . 10241 1 287 . 1 1 29 29 LYS HD2 H 1 1.778 0.030 . 1 . . . . 29 LYS HD2 . 10241 1 288 . 1 1 29 29 LYS HD3 H 1 1.778 0.030 . 1 . . . . 29 LYS HD3 . 10241 1 289 . 1 1 29 29 LYS HE2 H 1 3.069 0.030 . 1 . . . . 29 LYS HE2 . 10241 1 290 . 1 1 29 29 LYS HE3 H 1 3.069 0.030 . 1 . . . . 29 LYS HE3 . 10241 1 291 . 1 1 29 29 LYS HG2 H 1 1.562 0.030 . 1 . . . . 29 LYS HG2 . 10241 1 292 . 1 1 29 29 LYS HG3 H 1 1.562 0.030 . 1 . . . . 29 LYS HG3 . 10241 1 293 . 1 1 29 29 LYS C C 13 176.347 0.300 . 1 . . . . 29 LYS C . 10241 1 294 . 1 1 29 29 LYS CA C 13 56.187 0.300 . 1 . . . . 29 LYS CA . 10241 1 295 . 1 1 29 29 LYS CB C 13 34.585 0.300 . 1 . . . . 29 LYS CB . 10241 1 296 . 1 1 29 29 LYS CD C 13 28.826 0.300 . 1 . . . . 29 LYS CD . 10241 1 297 . 1 1 29 29 LYS CE C 13 42.258 0.300 . 1 . . . . 29 LYS CE . 10241 1 298 . 1 1 29 29 LYS CG C 13 24.706 0.300 . 1 . . . . 29 LYS CG . 10241 1 299 . 1 1 29 29 LYS N N 15 120.760 0.300 . 1 . . . . 29 LYS N . 10241 1 300 . 1 1 30 30 GLN H H 1 7.738 0.030 . 1 . . . . 30 GLN H . 10241 1 301 . 1 1 30 30 GLN HA H 1 4.657 0.030 . 1 . . . . 30 GLN HA . 10241 1 302 . 1 1 30 30 GLN HB2 H 1 2.346 0.030 . 2 . . . . 30 GLN HB2 . 10241 1 303 . 1 1 30 30 GLN HB3 H 1 1.836 0.030 . 2 . . . . 30 GLN HB3 . 10241 1 304 . 1 1 30 30 GLN HE21 H 1 7.895 0.030 . 2 . . . . 30 GLN HE21 . 10241 1 305 . 1 1 30 30 GLN HE22 H 1 6.724 0.030 . 2 . . . . 30 GLN HE22 . 10241 1 306 . 1 1 30 30 GLN HG2 H 1 2.410 0.030 . 2 . . . . 30 GLN HG2 . 10241 1 307 . 1 1 30 30 GLN HG3 H 1 2.288 0.030 . 2 . . . . 30 GLN HG3 . 10241 1 308 . 1 1 30 30 GLN C C 13 177.059 0.300 . 1 . . . . 30 GLN C . 10241 1 309 . 1 1 30 30 GLN CA C 13 53.885 0.300 . 1 . . . . 30 GLN CA . 10241 1 310 . 1 1 30 30 GLN CB C 13 31.349 0.300 . 1 . . . . 30 GLN CB . 10241 1 311 . 1 1 30 30 GLN CG C 13 33.111 0.300 . 1 . . . . 30 GLN CG . 10241 1 312 . 1 1 30 30 GLN N N 15 116.957 0.300 . 1 . . . . 30 GLN N . 10241 1 313 . 1 1 30 30 GLN NE2 N 15 113.089 0.300 . 1 . . . . 30 GLN NE2 . 10241 1 314 . 1 1 31 31 ALA H H 1 8.719 0.030 . 1 . . . . 31 ALA H . 10241 1 315 . 1 1 31 31 ALA HA H 1 4.189 0.030 . 1 . . . . 31 ALA HA . 10241 1 316 . 1 1 31 31 ALA HB1 H 1 1.498 0.030 . 1 . . . . 31 ALA HB . 10241 1 317 . 1 1 31 31 ALA HB2 H 1 1.498 0.030 . 1 . . . . 31 ALA HB . 10241 1 318 . 1 1 31 31 ALA HB3 H 1 1.498 0.030 . 1 . . . . 31 ALA HB . 10241 1 319 . 1 1 31 31 ALA C C 13 177.686 0.300 . 1 . . . . 31 ALA C . 10241 1 320 . 1 1 31 31 ALA CA C 13 54.960 0.300 . 1 . . . . 31 ALA CA . 10241 1 321 . 1 1 31 31 ALA CB C 13 18.859 0.300 . 1 . . . . 31 ALA CB . 10241 1 322 . 1 1 31 31 ALA N N 15 122.985 0.300 . 1 . . . . 31 ALA N . 10241 1 323 . 1 1 32 32 ASP H H 1 8.436 0.030 . 1 . . . . 32 ASP H . 10241 1 324 . 1 1 32 32 ASP HA H 1 4.904 0.030 . 1 . . . . 32 ASP HA . 10241 1 325 . 1 1 32 32 ASP HB2 H 1 3.151 0.030 . 2 . . . . 32 ASP HB2 . 10241 1 326 . 1 1 32 32 ASP HB3 H 1 2.981 0.030 . 2 . . . . 32 ASP HB3 . 10241 1 327 . 1 1 32 32 ASP C C 13 176.845 0.300 . 1 . . . . 32 ASP C . 10241 1 328 . 1 1 32 32 ASP CA C 13 54.044 0.300 . 1 . . . . 32 ASP CA . 10241 1 329 . 1 1 32 32 ASP CB C 13 40.166 0.300 . 1 . . . . 32 ASP CB . 10241 1 330 . 1 1 32 32 ASP N N 15 113.224 0.300 . 1 . . . . 32 ASP N . 10241 1 331 . 1 1 33 33 GLU H H 1 7.632 0.030 . 1 . . . . 33 GLU H . 10241 1 332 . 1 1 33 33 GLU HA H 1 5.578 0.030 . 1 . . . . 33 GLU HA . 10241 1 333 . 1 1 33 33 GLU HB2 H 1 2.525 0.030 . 1 . . . . 33 GLU HB2 . 10241 1 334 . 1 1 33 33 GLU HB3 H 1 2.525 0.030 . 1 . . . . 33 GLU HB3 . 10241 1 335 . 1 1 33 33 GLU HG2 H 1 2.696 0.030 . 2 . . . . 33 GLU HG2 . 10241 1 336 . 1 1 33 33 GLU HG3 H 1 2.446 0.030 . 2 . . . . 33 GLU HG3 . 10241 1 337 . 1 1 33 33 GLU C C 13 175.518 0.300 . 1 . . . . 33 GLU C . 10241 1 338 . 1 1 33 33 GLU CA C 13 55.437 0.300 . 1 . . . . 33 GLU CA . 10241 1 339 . 1 1 33 33 GLU CB C 13 33.079 0.300 . 1 . . . . 33 GLU CB . 10241 1 340 . 1 1 33 33 GLU CG C 13 36.927 0.300 . 1 . . . . 33 GLU CG . 10241 1 341 . 1 1 33 33 GLU N N 15 119.902 0.300 . 1 . . . . 33 GLU N . 10241 1 342 . 1 1 34 34 VAL H H 1 8.311 0.030 . 1 . . . . 34 VAL H . 10241 1 343 . 1 1 34 34 VAL HA H 1 4.791 0.030 . 1 . . . . 34 VAL HA . 10241 1 344 . 1 1 34 34 VAL HB H 1 1.604 0.030 . 1 . . . . 34 VAL HB . 10241 1 345 . 1 1 34 34 VAL HG11 H 1 0.772 0.030 . 1 . . . . 34 VAL HG1 . 10241 1 346 . 1 1 34 34 VAL HG12 H 1 0.772 0.030 . 1 . . . . 34 VAL HG1 . 10241 1 347 . 1 1 34 34 VAL HG13 H 1 0.772 0.030 . 1 . . . . 34 VAL HG1 . 10241 1 348 . 1 1 34 34 VAL HG21 H 1 0.786 0.030 . 1 . . . . 34 VAL HG2 . 10241 1 349 . 1 1 34 34 VAL HG22 H 1 0.786 0.030 . 1 . . . . 34 VAL HG2 . 10241 1 350 . 1 1 34 34 VAL HG23 H 1 0.786 0.030 . 1 . . . . 34 VAL HG2 . 10241 1 351 . 1 1 34 34 VAL C C 13 171.861 0.300 . 1 . . . . 34 VAL C . 10241 1 352 . 1 1 34 34 VAL CA C 13 58.152 0.300 . 1 . . . . 34 VAL CA . 10241 1 353 . 1 1 34 34 VAL CB C 13 35.881 0.300 . 1 . . . . 34 VAL CB . 10241 1 354 . 1 1 34 34 VAL CG1 C 13 18.566 0.300 . 2 . . . . 34 VAL CG1 . 10241 1 355 . 1 1 34 34 VAL CG2 C 13 21.245 0.300 . 2 . . . . 34 VAL CG2 . 10241 1 356 . 1 1 34 34 VAL N N 15 119.872 0.300 . 1 . . . . 34 VAL N . 10241 1 357 . 1 1 35 35 THR H H 1 8.047 0.030 . 1 . . . . 35 THR H . 10241 1 358 . 1 1 35 35 THR HA H 1 4.559 0.030 . 1 . . . . 35 THR HA . 10241 1 359 . 1 1 35 35 THR HB H 1 4.054 0.030 . 1 . . . . 35 THR HB . 10241 1 360 . 1 1 35 35 THR HG21 H 1 1.183 0.030 . 1 . . . . 35 THR HG2 . 10241 1 361 . 1 1 35 35 THR HG22 H 1 1.183 0.030 . 1 . . . . 35 THR HG2 . 10241 1 362 . 1 1 35 35 THR HG23 H 1 1.183 0.030 . 1 . . . . 35 THR HG2 . 10241 1 363 . 1 1 35 35 THR C C 13 174.643 0.300 . 1 . . . . 35 THR C . 10241 1 364 . 1 1 35 35 THR CA C 13 62.859 0.300 . 1 . . . . 35 THR CA . 10241 1 365 . 1 1 35 35 THR CB C 13 69.626 0.300 . 1 . . . . 35 THR CB . 10241 1 366 . 1 1 35 35 THR CG2 C 13 22.593 0.300 . 1 . . . . 35 THR CG2 . 10241 1 367 . 1 1 35 35 THR N N 15 123.767 0.300 . 1 . . . . 35 THR N . 10241 1 368 . 1 1 36 36 LEU H H 1 9.001 0.030 . 1 . . . . 36 LEU H . 10241 1 369 . 1 1 36 36 LEU HA H 1 4.571 0.030 . 1 . . . . 36 LEU HA . 10241 1 370 . 1 1 36 36 LEU HB2 H 1 1.479 0.030 . 2 . . . . 36 LEU HB2 . 10241 1 371 . 1 1 36 36 LEU HB3 H 1 1.376 0.030 . 2 . . . . 36 LEU HB3 . 10241 1 372 . 1 1 36 36 LEU HD11 H 1 -0.063 0.030 . 1 . . . . 36 LEU HD1 . 10241 1 373 . 1 1 36 36 LEU HD12 H 1 -0.063 0.030 . 1 . . . . 36 LEU HD1 . 10241 1 374 . 1 1 36 36 LEU HD13 H 1 -0.063 0.030 . 1 . . . . 36 LEU HD1 . 10241 1 375 . 1 1 36 36 LEU HD21 H 1 0.552 0.030 . 1 . . . . 36 LEU HD2 . 10241 1 376 . 1 1 36 36 LEU HD22 H 1 0.552 0.030 . 1 . . . . 36 LEU HD2 . 10241 1 377 . 1 1 36 36 LEU HD23 H 1 0.552 0.030 . 1 . . . . 36 LEU HD2 . 10241 1 378 . 1 1 36 36 LEU HG H 1 1.566 0.030 . 1 . . . . 36 LEU HG . 10241 1 379 . 1 1 36 36 LEU C C 13 176.087 0.300 . 1 . . . . 36 LEU C . 10241 1 380 . 1 1 36 36 LEU CA C 13 53.374 0.300 . 1 . . . . 36 LEU CA . 10241 1 381 . 1 1 36 36 LEU CB C 13 47.954 0.300 . 1 . . . . 36 LEU CB . 10241 1 382 . 1 1 36 36 LEU CD1 C 13 26.144 0.300 . 2 . . . . 36 LEU CD1 . 10241 1 383 . 1 1 36 36 LEU CD2 C 13 23.647 0.300 . 2 . . . . 36 LEU CD2 . 10241 1 384 . 1 1 36 36 LEU CG C 13 25.528 0.300 . 1 . . . . 36 LEU CG . 10241 1 385 . 1 1 36 36 LEU N N 15 127.439 0.300 . 1 . . . . 36 LEU N . 10241 1 386 . 1 1 37 37 GLN H H 1 8.889 0.030 . 1 . . . . 37 GLN H . 10241 1 387 . 1 1 37 37 GLN HA H 1 4.298 0.030 . 1 . . . . 37 GLN HA . 10241 1 388 . 1 1 37 37 GLN HB2 H 1 1.995 0.030 . 2 . . . . 37 GLN HB2 . 10241 1 389 . 1 1 37 37 GLN HB3 H 1 1.859 0.030 . 2 . . . . 37 GLN HB3 . 10241 1 390 . 1 1 37 37 GLN HE21 H 1 7.425 0.030 . 2 . . . . 37 GLN HE21 . 10241 1 391 . 1 1 37 37 GLN HE22 H 1 6.701 0.030 . 2 . . . . 37 GLN HE22 . 10241 1 392 . 1 1 37 37 GLN HG2 H 1 2.312 0.030 . 1 . . . . 37 GLN HG2 . 10241 1 393 . 1 1 37 37 GLN HG3 H 1 2.312 0.030 . 1 . . . . 37 GLN HG3 . 10241 1 394 . 1 1 37 37 GLN C C 13 175.508 0.300 . 1 . . . . 37 GLN C . 10241 1 395 . 1 1 37 37 GLN CA C 13 53.621 0.300 . 1 . . . . 37 GLN CA . 10241 1 396 . 1 1 37 37 GLN CB C 13 30.567 0.300 . 1 . . . . 37 GLN CB . 10241 1 397 . 1 1 37 37 GLN CG C 13 34.265 0.300 . 1 . . . . 37 GLN CG . 10241 1 398 . 1 1 37 37 GLN N N 15 121.687 0.300 . 1 . . . . 37 GLN N . 10241 1 399 . 1 1 37 37 GLN NE2 N 15 111.948 0.300 . 1 . . . . 37 GLN NE2 . 10241 1 400 . 1 1 38 38 GLN H H 1 8.517 0.030 . 1 . . . . 38 GLN H . 10241 1 401 . 1 1 38 38 GLN HA H 1 3.378 0.030 . 1 . . . . 38 GLN HA . 10241 1 402 . 1 1 38 38 GLN HB2 H 1 1.929 0.030 . 2 . . . . 38 GLN HB2 . 10241 1 403 . 1 1 38 38 GLN HB3 H 1 1.797 0.030 . 2 . . . . 38 GLN HB3 . 10241 1 404 . 1 1 38 38 GLN HE21 H 1 7.520 0.030 . 2 . . . . 38 GLN HE21 . 10241 1 405 . 1 1 38 38 GLN HE22 H 1 6.876 0.030 . 2 . . . . 38 GLN HE22 . 10241 1 406 . 1 1 38 38 GLN HG2 H 1 2.195 0.030 . 1 . . . . 38 GLN HG2 . 10241 1 407 . 1 1 38 38 GLN HG3 H 1 2.195 0.030 . 1 . . . . 38 GLN HG3 . 10241 1 408 . 1 1 38 38 GLN C C 13 176.738 0.300 . 1 . . . . 38 GLN C . 10241 1 409 . 1 1 38 38 GLN CA C 13 58.584 0.300 . 1 . . . . 38 GLN CA . 10241 1 410 . 1 1 38 38 GLN CB C 13 28.151 0.300 . 1 . . . . 38 GLN CB . 10241 1 411 . 1 1 38 38 GLN CG C 13 33.853 0.300 . 1 . . . . 38 GLN CG . 10241 1 412 . 1 1 38 38 GLN N N 15 120.664 0.300 . 1 . . . . 38 GLN N . 10241 1 413 . 1 1 38 38 GLN NE2 N 15 111.690 0.300 . 1 . . . . 38 GLN NE2 . 10241 1 414 . 1 1 39 39 ALA H H 1 9.200 0.030 . 1 . . . . 39 ALA H . 10241 1 415 . 1 1 39 39 ALA HA H 1 3.948 0.030 . 1 . . . . 39 ALA HA . 10241 1 416 . 1 1 39 39 ALA HB1 H 1 1.641 0.030 . 1 . . . . 39 ALA HB . 10241 1 417 . 1 1 39 39 ALA HB2 H 1 1.641 0.030 . 1 . . . . 39 ALA HB . 10241 1 418 . 1 1 39 39 ALA HB3 H 1 1.641 0.030 . 1 . . . . 39 ALA HB . 10241 1 419 . 1 1 39 39 ALA C C 13 177.251 0.300 . 1 . . . . 39 ALA C . 10241 1 420 . 1 1 39 39 ALA CA C 13 54.731 0.300 . 1 . . . . 39 ALA CA . 10241 1 421 . 1 1 39 39 ALA CB C 13 17.134 0.300 . 1 . . . . 39 ALA CB . 10241 1 422 . 1 1 39 39 ALA N N 15 123.253 0.300 . 1 . . . . 39 ALA N . 10241 1 423 . 1 1 40 40 ASP H H 1 8.025 0.030 . 1 . . . . 40 ASP H . 10241 1 424 . 1 1 40 40 ASP HA H 1 4.498 0.030 . 1 . . . . 40 ASP HA . 10241 1 425 . 1 1 40 40 ASP HB2 H 1 2.763 0.030 . 2 . . . . 40 ASP HB2 . 10241 1 426 . 1 1 40 40 ASP HB3 H 1 2.024 0.030 . 2 . . . . 40 ASP HB3 . 10241 1 427 . 1 1 40 40 ASP C C 13 175.010 0.300 . 1 . . . . 40 ASP C . 10241 1 428 . 1 1 40 40 ASP CA C 13 56.407 0.300 . 1 . . . . 40 ASP CA . 10241 1 429 . 1 1 40 40 ASP CB C 13 41.713 0.300 . 1 . . . . 40 ASP CB . 10241 1 430 . 1 1 40 40 ASP N N 15 121.075 0.300 . 1 . . . . 40 ASP N . 10241 1 431 . 1 1 41 41 VAL H H 1 7.518 0.030 . 1 . . . . 41 VAL H . 10241 1 432 . 1 1 41 41 VAL HA H 1 5.060 0.030 . 1 . . . . 41 VAL HA . 10241 1 433 . 1 1 41 41 VAL HB H 1 1.859 0.030 . 1 . . . . 41 VAL HB . 10241 1 434 . 1 1 41 41 VAL HG11 H 1 0.880 0.030 . 1 . . . . 41 VAL HG1 . 10241 1 435 . 1 1 41 41 VAL HG12 H 1 0.880 0.030 . 1 . . . . 41 VAL HG1 . 10241 1 436 . 1 1 41 41 VAL HG13 H 1 0.880 0.030 . 1 . . . . 41 VAL HG1 . 10241 1 437 . 1 1 41 41 VAL HG21 H 1 0.993 0.030 . 1 . . . . 41 VAL HG2 . 10241 1 438 . 1 1 41 41 VAL HG22 H 1 0.993 0.030 . 1 . . . . 41 VAL HG2 . 10241 1 439 . 1 1 41 41 VAL HG23 H 1 0.993 0.030 . 1 . . . . 41 VAL HG2 . 10241 1 440 . 1 1 41 41 VAL C C 13 176.546 0.300 . 1 . . . . 41 VAL C . 10241 1 441 . 1 1 41 41 VAL CA C 13 61.818 0.300 . 1 . . . . 41 VAL CA . 10241 1 442 . 1 1 41 41 VAL CB C 13 32.997 0.300 . 1 . . . . 41 VAL CB . 10241 1 443 . 1 1 41 41 VAL CG1 C 13 21.834 0.300 . 2 . . . . 41 VAL CG1 . 10241 1 444 . 1 1 41 41 VAL CG2 C 13 21.601 0.300 . 2 . . . . 41 VAL CG2 . 10241 1 445 . 1 1 41 41 VAL N N 15 119.767 0.300 . 1 . . . . 41 VAL N . 10241 1 446 . 1 1 42 42 VAL H H 1 9.086 0.030 . 1 . . . . 42 VAL H . 10241 1 447 . 1 1 42 42 VAL HA H 1 4.528 0.030 . 1 . . . . 42 VAL HA . 10241 1 448 . 1 1 42 42 VAL HB H 1 1.585 0.030 . 1 . . . . 42 VAL HB . 10241 1 449 . 1 1 42 42 VAL HG11 H 1 0.630 0.030 . 1 . . . . 42 VAL HG1 . 10241 1 450 . 1 1 42 42 VAL HG12 H 1 0.630 0.030 . 1 . . . . 42 VAL HG1 . 10241 1 451 . 1 1 42 42 VAL HG13 H 1 0.630 0.030 . 1 . . . . 42 VAL HG1 . 10241 1 452 . 1 1 42 42 VAL HG21 H 1 0.359 0.030 . 1 . . . . 42 VAL HG2 . 10241 1 453 . 1 1 42 42 VAL HG22 H 1 0.359 0.030 . 1 . . . . 42 VAL HG2 . 10241 1 454 . 1 1 42 42 VAL HG23 H 1 0.359 0.030 . 1 . . . . 42 VAL HG2 . 10241 1 455 . 1 1 42 42 VAL C C 13 173.762 0.300 . 1 . . . . 42 VAL C . 10241 1 456 . 1 1 42 42 VAL CA C 13 60.363 0.300 . 1 . . . . 42 VAL CA . 10241 1 457 . 1 1 42 42 VAL CB C 13 35.736 0.300 . 1 . . . . 42 VAL CB . 10241 1 458 . 1 1 42 42 VAL CG1 C 13 20.904 0.300 . 2 . . . . 42 VAL CG1 . 10241 1 459 . 1 1 42 42 VAL CG2 C 13 21.575 0.300 . 2 . . . . 42 VAL CG2 . 10241 1 460 . 1 1 42 42 VAL N N 15 129.212 0.300 . 1 . . . . 42 VAL N . 10241 1 461 . 1 1 43 43 LEU H H 1 8.855 0.030 . 1 . . . . 43 LEU H . 10241 1 462 . 1 1 43 43 LEU HA H 1 4.651 0.030 . 1 . . . . 43 LEU HA . 10241 1 463 . 1 1 43 43 LEU HB2 H 1 1.751 0.030 . 2 . . . . 43 LEU HB2 . 10241 1 464 . 1 1 43 43 LEU HB3 H 1 1.578 0.030 . 2 . . . . 43 LEU HB3 . 10241 1 465 . 1 1 43 43 LEU HD11 H 1 0.911 0.030 . 1 . . . . 43 LEU HD1 . 10241 1 466 . 1 1 43 43 LEU HD12 H 1 0.911 0.030 . 1 . . . . 43 LEU HD1 . 10241 1 467 . 1 1 43 43 LEU HD13 H 1 0.911 0.030 . 1 . . . . 43 LEU HD1 . 10241 1 468 . 1 1 43 43 LEU HD21 H 1 0.877 0.030 . 1 . . . . 43 LEU HD2 . 10241 1 469 . 1 1 43 43 LEU HD22 H 1 0.877 0.030 . 1 . . . . 43 LEU HD2 . 10241 1 470 . 1 1 43 43 LEU HD23 H 1 0.877 0.030 . 1 . . . . 43 LEU HD2 . 10241 1 471 . 1 1 43 43 LEU HG H 1 1.530 0.030 . 1 . . . . 43 LEU HG . 10241 1 472 . 1 1 43 43 LEU C C 13 175.853 0.300 . 1 . . . . 43 LEU C . 10241 1 473 . 1 1 43 43 LEU CA C 13 54.132 0.300 . 1 . . . . 43 LEU CA . 10241 1 474 . 1 1 43 43 LEU CB C 13 44.039 0.300 . 1 . . . . 43 LEU CB . 10241 1 475 . 1 1 43 43 LEU CD1 C 13 25.281 0.300 . 2 . . . . 43 LEU CD1 . 10241 1 476 . 1 1 43 43 LEU CD2 C 13 25.528 0.300 . 2 . . . . 43 LEU CD2 . 10241 1 477 . 1 1 43 43 LEU CG C 13 26.923 0.300 . 1 . . . . 43 LEU CG . 10241 1 478 . 1 1 43 43 LEU N N 15 128.624 0.300 . 1 . . . . 43 LEU N . 10241 1 479 . 1 1 44 44 VAL H H 1 8.835 0.030 . 1 . . . . 44 VAL H . 10241 1 480 . 1 1 44 44 VAL HA H 1 3.837 0.030 . 1 . . . . 44 VAL HA . 10241 1 481 . 1 1 44 44 VAL HB H 1 2.044 0.030 . 1 . . . . 44 VAL HB . 10241 1 482 . 1 1 44 44 VAL HG11 H 1 0.941 0.030 . 1 . . . . 44 VAL HG1 . 10241 1 483 . 1 1 44 44 VAL HG12 H 1 0.941 0.030 . 1 . . . . 44 VAL HG1 . 10241 1 484 . 1 1 44 44 VAL HG13 H 1 0.941 0.030 . 1 . . . . 44 VAL HG1 . 10241 1 485 . 1 1 44 44 VAL HG21 H 1 0.856 0.030 . 1 . . . . 44 VAL HG2 . 10241 1 486 . 1 1 44 44 VAL HG22 H 1 0.856 0.030 . 1 . . . . 44 VAL HG2 . 10241 1 487 . 1 1 44 44 VAL HG23 H 1 0.856 0.030 . 1 . . . . 44 VAL HG2 . 10241 1 488 . 1 1 44 44 VAL C C 13 174.445 0.300 . 1 . . . . 44 VAL C . 10241 1 489 . 1 1 44 44 VAL CA C 13 64.603 0.300 . 1 . . . . 44 VAL CA . 10241 1 490 . 1 1 44 44 VAL CB C 13 32.325 0.300 . 1 . . . . 44 VAL CB . 10241 1 491 . 1 1 44 44 VAL CG1 C 13 22.564 0.300 . 2 . . . . 44 VAL CG1 . 10241 1 492 . 1 1 44 44 VAL CG2 C 13 23.965 0.300 . 2 . . . . 44 VAL CG2 . 10241 1 493 . 1 1 44 44 VAL N N 15 126.525 0.300 . 1 . . . . 44 VAL N . 10241 1 494 . 1 1 45 45 LEU H H 1 9.166 0.030 . 1 . . . . 45 LEU H . 10241 1 495 . 1 1 45 45 LEU HA H 1 4.488 0.030 . 1 . . . . 45 LEU HA . 10241 1 496 . 1 1 45 45 LEU HB2 H 1 1.652 0.030 . 1 . . . . 45 LEU HB2 . 10241 1 497 . 1 1 45 45 LEU HB3 H 1 1.652 0.030 . 1 . . . . 45 LEU HB3 . 10241 1 498 . 1 1 45 45 LEU HD11 H 1 0.787 0.030 . 1 . . . . 45 LEU HD1 . 10241 1 499 . 1 1 45 45 LEU HD12 H 1 0.787 0.030 . 1 . . . . 45 LEU HD1 . 10241 1 500 . 1 1 45 45 LEU HD13 H 1 0.787 0.030 . 1 . . . . 45 LEU HD1 . 10241 1 501 . 1 1 45 45 LEU HD21 H 1 0.818 0.030 . 1 . . . . 45 LEU HD2 . 10241 1 502 . 1 1 45 45 LEU HD22 H 1 0.818 0.030 . 1 . . . . 45 LEU HD2 . 10241 1 503 . 1 1 45 45 LEU HD23 H 1 0.818 0.030 . 1 . . . . 45 LEU HD2 . 10241 1 504 . 1 1 45 45 LEU HG H 1 1.657 0.030 . 1 . . . . 45 LEU HG . 10241 1 505 . 1 1 45 45 LEU C C 13 177.820 0.300 . 1 . . . . 45 LEU C . 10241 1 506 . 1 1 45 45 LEU CA C 13 56.137 0.300 . 1 . . . . 45 LEU CA . 10241 1 507 . 1 1 45 45 LEU CB C 13 43.957 0.300 . 1 . . . . 45 LEU CB . 10241 1 508 . 1 1 45 45 LEU CD1 C 13 25.374 0.300 . 2 . . . . 45 LEU CD1 . 10241 1 509 . 1 1 45 45 LEU CD2 C 13 23.494 0.300 . 2 . . . . 45 LEU CD2 . 10241 1 510 . 1 1 45 45 LEU CG C 13 27.793 0.300 . 1 . . . . 45 LEU CG . 10241 1 511 . 1 1 45 45 LEU N N 15 127.543 0.300 . 1 . . . . 45 LEU N . 10241 1 512 . 1 1 46 46 GLN H H 1 8.074 0.030 . 1 . . . . 46 GLN H . 10241 1 513 . 1 1 46 46 GLN HA H 1 4.643 0.030 . 1 . . . . 46 GLN HA . 10241 1 514 . 1 1 46 46 GLN HB2 H 1 2.016 0.030 . 2 . . . . 46 GLN HB2 . 10241 1 515 . 1 1 46 46 GLN HB3 H 1 1.882 0.030 . 2 . . . . 46 GLN HB3 . 10241 1 516 . 1 1 46 46 GLN HE21 H 1 7.252 0.030 . 2 . . . . 46 GLN HE21 . 10241 1 517 . 1 1 46 46 GLN HE22 H 1 6.740 0.030 . 2 . . . . 46 GLN HE22 . 10241 1 518 . 1 1 46 46 GLN HG2 H 1 2.359 0.030 . 2 . . . . 46 GLN HG2 . 10241 1 519 . 1 1 46 46 GLN HG3 H 1 2.233 0.030 . 2 . . . . 46 GLN HG3 . 10241 1 520 . 1 1 46 46 GLN C C 13 173.225 0.300 . 1 . . . . 46 GLN C . 10241 1 521 . 1 1 46 46 GLN CA C 13 55.277 0.300 . 1 . . . . 46 GLN CA . 10241 1 522 . 1 1 46 46 GLN CB C 13 33.285 0.300 . 1 . . . . 46 GLN CB . 10241 1 523 . 1 1 46 46 GLN CG C 13 34.100 0.300 . 1 . . . . 46 GLN CG . 10241 1 524 . 1 1 46 46 GLN N N 15 115.961 0.300 . 1 . . . . 46 GLN N . 10241 1 525 . 1 1 46 46 GLN NE2 N 15 110.671 0.300 . 1 . . . . 46 GLN NE2 . 10241 1 526 . 1 1 47 47 GLN H H 1 8.683 0.030 . 1 . . . . 47 GLN H . 10241 1 527 . 1 1 47 47 GLN HA H 1 5.194 0.030 . 1 . . . . 47 GLN HA . 10241 1 528 . 1 1 47 47 GLN HB2 H 1 2.124 0.030 . 2 . . . . 47 GLN HB2 . 10241 1 529 . 1 1 47 47 GLN HB3 H 1 1.892 0.030 . 2 . . . . 47 GLN HB3 . 10241 1 530 . 1 1 47 47 GLN HE21 H 1 7.738 0.030 . 2 . . . . 47 GLN HE21 . 10241 1 531 . 1 1 47 47 GLN HE22 H 1 6.681 0.030 . 2 . . . . 47 GLN HE22 . 10241 1 532 . 1 1 47 47 GLN HG2 H 1 2.308 0.030 . 1 . . . . 47 GLN HG2 . 10241 1 533 . 1 1 47 47 GLN HG3 H 1 2.308 0.030 . 1 . . . . 47 GLN HG3 . 10241 1 534 . 1 1 47 47 GLN C C 13 174.366 0.300 . 1 . . . . 47 GLN C . 10241 1 535 . 1 1 47 47 GLN CA C 13 55.243 0.300 . 1 . . . . 47 GLN CA . 10241 1 536 . 1 1 47 47 GLN CB C 13 31.473 0.300 . 1 . . . . 47 GLN CB . 10241 1 537 . 1 1 47 47 GLN CG C 13 33.337 0.300 . 1 . . . . 47 GLN CG . 10241 1 538 . 1 1 47 47 GLN N N 15 121.742 0.300 . 1 . . . . 47 GLN N . 10241 1 539 . 1 1 47 47 GLN NE2 N 15 110.865 0.300 . 1 . . . . 47 GLN NE2 . 10241 1 540 . 1 1 48 48 GLU H H 1 9.201 0.030 . 1 . . . . 48 GLU H . 10241 1 541 . 1 1 48 48 GLU HA H 1 4.669 0.030 . 1 . . . . 48 GLU HA . 10241 1 542 . 1 1 48 48 GLU HB2 H 1 2.106 0.030 . 2 . . . . 48 GLU HB2 . 10241 1 543 . 1 1 48 48 GLU HB3 H 1 1.992 0.030 . 2 . . . . 48 GLU HB3 . 10241 1 544 . 1 1 48 48 GLU HG2 H 1 2.228 0.030 . 1 . . . . 48 GLU HG2 . 10241 1 545 . 1 1 48 48 GLU HG3 H 1 2.228 0.030 . 1 . . . . 48 GLU HG3 . 10241 1 546 . 1 1 48 48 GLU C C 13 175.622 0.300 . 1 . . . . 48 GLU C . 10241 1 547 . 1 1 48 48 GLU CA C 13 56.134 0.300 . 1 . . . . 48 GLU CA . 10241 1 548 . 1 1 48 48 GLU CB C 13 33.098 0.300 . 1 . . . . 48 GLU CB . 10241 1 549 . 1 1 48 48 GLU CG C 13 36.049 0.300 . 1 . . . . 48 GLU CG . 10241 1 550 . 1 1 48 48 GLU N N 15 124.529 0.300 . 1 . . . . 48 GLU N . 10241 1 551 . 1 1 49 49 ASP H H 1 9.177 0.030 . 1 . . . . 49 ASP H . 10241 1 552 . 1 1 49 49 ASP HA H 1 4.424 0.030 . 1 . . . . 49 ASP HA . 10241 1 553 . 1 1 49 49 ASP HB2 H 1 2.963 0.030 . 2 . . . . 49 ASP HB2 . 10241 1 554 . 1 1 49 49 ASP HB3 H 1 2.585 0.030 . 2 . . . . 49 ASP HB3 . 10241 1 555 . 1 1 49 49 ASP C C 13 175.771 0.300 . 1 . . . . 49 ASP C . 10241 1 556 . 1 1 49 49 ASP CA C 13 56.001 0.300 . 1 . . . . 49 ASP CA . 10241 1 557 . 1 1 49 49 ASP CB C 13 40.478 0.300 . 1 . . . . 49 ASP CB . 10241 1 558 . 1 1 49 49 ASP N N 15 125.649 0.300 . 1 . . . . 49 ASP N . 10241 1 559 . 1 1 50 50 GLY H H 1 8.750 0.030 . 1 . . . . 50 GLY H . 10241 1 560 . 1 1 50 50 GLY HA2 H 1 4.266 0.030 . 2 . . . . 50 GLY HA2 . 10241 1 561 . 1 1 50 50 GLY HA3 H 1 3.753 0.030 . 2 . . . . 50 GLY HA3 . 10241 1 562 . 1 1 50 50 GLY C C 13 174.455 0.300 . 1 . . . . 50 GLY C . 10241 1 563 . 1 1 50 50 GLY CA C 13 45.969 0.300 . 1 . . . . 50 GLY CA . 10241 1 564 . 1 1 50 50 GLY N N 15 108.057 0.300 . 1 . . . . 50 GLY N . 10241 1 565 . 1 1 51 51 TRP H H 1 8.427 0.030 . 1 . . . . 51 TRP H . 10241 1 566 . 1 1 51 51 TRP HA H 1 4.877 0.030 . 1 . . . . 51 TRP HA . 10241 1 567 . 1 1 51 51 TRP HB2 H 1 3.466 0.030 . 2 . . . . 51 TRP HB2 . 10241 1 568 . 1 1 51 51 TRP HB3 H 1 3.018 0.030 . 2 . . . . 51 TRP HB3 . 10241 1 569 . 1 1 51 51 TRP HD1 H 1 7.354 0.030 . 1 . . . . 51 TRP HD1 . 10241 1 570 . 1 1 51 51 TRP HE1 H 1 10.051 0.030 . 1 . . . . 51 TRP HE1 . 10241 1 571 . 1 1 51 51 TRP HE3 H 1 7.464 0.030 . 1 . . . . 51 TRP HE3 . 10241 1 572 . 1 1 51 51 TRP HH2 H 1 7.368 0.030 . 1 . . . . 51 TRP HH2 . 10241 1 573 . 1 1 51 51 TRP HZ2 H 1 7.506 0.030 . 1 . . . . 51 TRP HZ2 . 10241 1 574 . 1 1 51 51 TRP HZ3 H 1 6.864 0.030 . 1 . . . . 51 TRP HZ3 . 10241 1 575 . 1 1 51 51 TRP C C 13 173.525 0.300 . 1 . . . . 51 TRP C . 10241 1 576 . 1 1 51 51 TRP CA C 13 57.270 0.300 . 1 . . . . 51 TRP CA . 10241 1 577 . 1 1 51 51 TRP CB C 13 32.690 0.300 . 1 . . . . 51 TRP CB . 10241 1 578 . 1 1 51 51 TRP CD1 C 13 127.226 0.300 . 1 . . . . 51 TRP CD1 . 10241 1 579 . 1 1 51 51 TRP CE3 C 13 119.704 0.300 . 1 . . . . 51 TRP CE3 . 10241 1 580 . 1 1 51 51 TRP CH2 C 13 125.181 0.300 . 1 . . . . 51 TRP CH2 . 10241 1 581 . 1 1 51 51 TRP CZ2 C 13 114.598 0.300 . 1 . . . . 51 TRP CZ2 . 10241 1 582 . 1 1 51 51 TRP CZ3 C 13 120.866 0.300 . 1 . . . . 51 TRP CZ3 . 10241 1 583 . 1 1 51 51 TRP N N 15 122.784 0.300 . 1 . . . . 51 TRP N . 10241 1 584 . 1 1 51 51 TRP NE1 N 15 130.168 0.300 . 1 . . . . 51 TRP NE1 . 10241 1 585 . 1 1 52 52 LEU H H 1 9.368 0.030 . 1 . . . . 52 LEU H . 10241 1 586 . 1 1 52 52 LEU HA H 1 4.987 0.030 . 1 . . . . 52 LEU HA . 10241 1 587 . 1 1 52 52 LEU HB2 H 1 0.654 0.030 . 2 . . . . 52 LEU HB2 . 10241 1 588 . 1 1 52 52 LEU HB3 H 1 0.342 0.030 . 2 . . . . 52 LEU HB3 . 10241 1 589 . 1 1 52 52 LEU HD11 H 1 0.954 0.030 . 1 . . . . 52 LEU HD1 . 10241 1 590 . 1 1 52 52 LEU HD12 H 1 0.954 0.030 . 1 . . . . 52 LEU HD1 . 10241 1 591 . 1 1 52 52 LEU HD13 H 1 0.954 0.030 . 1 . . . . 52 LEU HD1 . 10241 1 592 . 1 1 52 52 LEU HD21 H 1 0.623 0.030 . 1 . . . . 52 LEU HD2 . 10241 1 593 . 1 1 52 52 LEU HD22 H 1 0.623 0.030 . 1 . . . . 52 LEU HD2 . 10241 1 594 . 1 1 52 52 LEU HD23 H 1 0.623 0.030 . 1 . . . . 52 LEU HD2 . 10241 1 595 . 1 1 52 52 LEU HG H 1 1.183 0.030 . 1 . . . . 52 LEU HG . 10241 1 596 . 1 1 52 52 LEU C C 13 173.005 0.300 . 1 . . . . 52 LEU C . 10241 1 597 . 1 1 52 52 LEU CA C 13 52.634 0.300 . 1 . . . . 52 LEU CA . 10241 1 598 . 1 1 52 52 LEU CB C 13 43.833 0.300 . 1 . . . . 52 LEU CB . 10241 1 599 . 1 1 52 52 LEU CD1 C 13 24.143 0.300 . 2 . . . . 52 LEU CD1 . 10241 1 600 . 1 1 52 52 LEU CD2 C 13 26.467 0.300 . 2 . . . . 52 LEU CD2 . 10241 1 601 . 1 1 52 52 LEU CG C 13 27.409 0.300 . 1 . . . . 52 LEU CG . 10241 1 602 . 1 1 52 52 LEU N N 15 121.750 0.300 . 1 . . . . 52 LEU N . 10241 1 603 . 1 1 53 53 TYR H H 1 8.267 0.030 . 1 . . . . 53 TYR H . 10241 1 604 . 1 1 53 53 TYR HA H 1 4.513 0.030 . 1 . . . . 53 TYR HA . 10241 1 605 . 1 1 53 53 TYR HB2 H 1 1.848 0.030 . 2 . . . . 53 TYR HB2 . 10241 1 606 . 1 1 53 53 TYR HB3 H 1 -0.007 0.030 . 2 . . . . 53 TYR HB3 . 10241 1 607 . 1 1 53 53 TYR HD1 H 1 5.627 0.030 . 1 . . . . 53 TYR HD1 . 10241 1 608 . 1 1 53 53 TYR HD2 H 1 5.627 0.030 . 1 . . . . 53 TYR HD2 . 10241 1 609 . 1 1 53 53 TYR HE1 H 1 6.551 0.030 . 1 . . . . 53 TYR HE1 . 10241 1 610 . 1 1 53 53 TYR HE2 H 1 6.551 0.030 . 1 . . . . 53 TYR HE2 . 10241 1 611 . 1 1 53 53 TYR C C 13 176.111 0.300 . 1 . . . . 53 TYR C . 10241 1 612 . 1 1 53 53 TYR CA C 13 55.283 0.300 . 1 . . . . 53 TYR CA . 10241 1 613 . 1 1 53 53 TYR CB C 13 39.251 0.300 . 1 . . . . 53 TYR CB . 10241 1 614 . 1 1 53 53 TYR CD1 C 13 132.359 0.300 . 1 . . . . 53 TYR CD1 . 10241 1 615 . 1 1 53 53 TYR CD2 C 13 132.359 0.300 . 1 . . . . 53 TYR CD2 . 10241 1 616 . 1 1 53 53 TYR CE1 C 13 117.224 0.300 . 1 . . . . 53 TYR CE1 . 10241 1 617 . 1 1 53 53 TYR CE2 C 13 117.224 0.300 . 1 . . . . 53 TYR CE2 . 10241 1 618 . 1 1 53 53 TYR N N 15 122.457 0.300 . 1 . . . . 53 TYR N . 10241 1 619 . 1 1 54 54 GLY H H 1 8.238 0.030 . 1 . . . . 54 GLY H . 10241 1 620 . 1 1 54 54 GLY HA2 H 1 4.706 0.030 . 2 . . . . 54 GLY HA2 . 10241 1 621 . 1 1 54 54 GLY HA3 H 1 3.802 0.030 . 2 . . . . 54 GLY HA3 . 10241 1 622 . 1 1 54 54 GLY C C 13 168.928 0.300 . 1 . . . . 54 GLY C . 10241 1 623 . 1 1 54 54 GLY CA C 13 45.792 0.300 . 1 . . . . 54 GLY CA . 10241 1 624 . 1 1 54 54 GLY N N 15 112.598 0.300 . 1 . . . . 54 GLY N . 10241 1 625 . 1 1 55 55 GLU H H 1 8.400 0.030 . 1 . . . . 55 GLU H . 10241 1 626 . 1 1 55 55 GLU HA H 1 4.718 0.030 . 1 . . . . 55 GLU HA . 10241 1 627 . 1 1 55 55 GLU HB2 H 1 1.811 0.030 . 2 . . . . 55 GLU HB2 . 10241 1 628 . 1 1 55 55 GLU HB3 H 1 1.722 0.030 . 2 . . . . 55 GLU HB3 . 10241 1 629 . 1 1 55 55 GLU HG2 H 1 1.897 0.030 . 2 . . . . 55 GLU HG2 . 10241 1 630 . 1 1 55 55 GLU HG3 H 1 1.690 0.030 . 2 . . . . 55 GLU HG3 . 10241 1 631 . 1 1 55 55 GLU C C 13 175.540 0.300 . 1 . . . . 55 GLU C . 10241 1 632 . 1 1 55 55 GLU CA C 13 53.268 0.300 . 1 . . . . 55 GLU CA . 10241 1 633 . 1 1 55 55 GLU CB C 13 34.264 0.300 . 1 . . . . 55 GLU CB . 10241 1 634 . 1 1 55 55 GLU CG C 13 35.807 0.300 . 1 . . . . 55 GLU CG . 10241 1 635 . 1 1 55 55 GLU N N 15 118.345 0.300 . 1 . . . . 55 GLU N . 10241 1 636 . 1 1 56 56 ARG H H 1 9.654 0.030 . 1 . . . . 56 ARG H . 10241 1 637 . 1 1 56 56 ARG HA H 1 4.309 0.030 . 1 . . . . 56 ARG HA . 10241 1 638 . 1 1 56 56 ARG HB2 H 1 2.375 0.030 . 2 . . . . 56 ARG HB2 . 10241 1 639 . 1 1 56 56 ARG HB3 H 1 1.328 0.030 . 2 . . . . 56 ARG HB3 . 10241 1 640 . 1 1 56 56 ARG HD2 H 1 3.131 0.030 . 2 . . . . 56 ARG HD2 . 10241 1 641 . 1 1 56 56 ARG HD3 H 1 3.017 0.030 . 2 . . . . 56 ARG HD3 . 10241 1 642 . 1 1 56 56 ARG HE H 1 8.553 0.030 . 1 . . . . 56 ARG HE . 10241 1 643 . 1 1 56 56 ARG HG2 H 1 1.661 0.030 . 1 . . . . 56 ARG HG2 . 10241 1 644 . 1 1 56 56 ARG HG3 H 1 1.661 0.030 . 1 . . . . 56 ARG HG3 . 10241 1 645 . 1 1 56 56 ARG C C 13 176.838 0.300 . 1 . . . . 56 ARG C . 10241 1 646 . 1 1 56 56 ARG CA C 13 57.492 0.300 . 1 . . . . 56 ARG CA . 10241 1 647 . 1 1 56 56 ARG CB C 13 30.854 0.300 . 1 . . . . 56 ARG CB . 10241 1 648 . 1 1 56 56 ARG CD C 13 44.284 0.300 . 1 . . . . 56 ARG CD . 10241 1 649 . 1 1 56 56 ARG CG C 13 27.590 0.300 . 1 . . . . 56 ARG CG . 10241 1 650 . 1 1 56 56 ARG N N 15 129.571 0.300 . 1 . . . . 56 ARG N . 10241 1 651 . 1 1 56 56 ARG NE N 15 82.035 0.300 . 1 . . . . 56 ARG NE . 10241 1 652 . 1 1 57 57 LEU H H 1 8.195 0.030 . 1 . . . . 57 LEU H . 10241 1 653 . 1 1 57 57 LEU HA H 1 4.021 0.030 . 1 . . . . 57 LEU HA . 10241 1 654 . 1 1 57 57 LEU HB2 H 1 1.584 0.030 . 1 . . . . 57 LEU HB2 . 10241 1 655 . 1 1 57 57 LEU HB3 H 1 1.584 0.030 . 1 . . . . 57 LEU HB3 . 10241 1 656 . 1 1 57 57 LEU HD11 H 1 0.859 0.030 . 1 . . . . 57 LEU HD1 . 10241 1 657 . 1 1 57 57 LEU HD12 H 1 0.859 0.030 . 1 . . . . 57 LEU HD1 . 10241 1 658 . 1 1 57 57 LEU HD13 H 1 0.859 0.030 . 1 . . . . 57 LEU HD1 . 10241 1 659 . 1 1 57 57 LEU HD21 H 1 0.866 0.030 . 1 . . . . 57 LEU HD2 . 10241 1 660 . 1 1 57 57 LEU HD22 H 1 0.866 0.030 . 1 . . . . 57 LEU HD2 . 10241 1 661 . 1 1 57 57 LEU HD23 H 1 0.866 0.030 . 1 . . . . 57 LEU HD2 . 10241 1 662 . 1 1 57 57 LEU HG H 1 1.606 0.030 . 1 . . . . 57 LEU HG . 10241 1 663 . 1 1 57 57 LEU C C 13 179.671 0.300 . 1 . . . . 57 LEU C . 10241 1 664 . 1 1 57 57 LEU CA C 13 58.338 0.300 . 1 . . . . 57 LEU CA . 10241 1 665 . 1 1 57 57 LEU CB C 13 41.939 0.300 . 1 . . . . 57 LEU CB . 10241 1 666 . 1 1 57 57 LEU CD1 C 13 24.963 0.300 . 2 . . . . 57 LEU CD1 . 10241 1 667 . 1 1 57 57 LEU CD2 C 13 24.080 0.300 . 2 . . . . 57 LEU CD2 . 10241 1 668 . 1 1 57 57 LEU CG C 13 27.646 0.300 . 1 . . . . 57 LEU CG . 10241 1 669 . 1 1 57 57 LEU N N 15 129.973 0.300 . 1 . . . . 57 LEU N . 10241 1 670 . 1 1 58 58 ARG H H 1 8.494 0.030 . 1 . . . . 58 ARG H . 10241 1 671 . 1 1 58 58 ARG HA H 1 4.112 0.030 . 1 . . . . 58 ARG HA . 10241 1 672 . 1 1 58 58 ARG HB2 H 1 1.929 0.030 . 2 . . . . 58 ARG HB2 . 10241 1 673 . 1 1 58 58 ARG HB3 H 1 1.592 0.030 . 2 . . . . 58 ARG HB3 . 10241 1 674 . 1 1 58 58 ARG HD2 H 1 3.273 0.030 . 2 . . . . 58 ARG HD2 . 10241 1 675 . 1 1 58 58 ARG HD3 H 1 3.160 0.030 . 2 . . . . 58 ARG HD3 . 10241 1 676 . 1 1 58 58 ARG HG2 H 1 1.528 0.030 . 1 . . . . 58 ARG HG2 . 10241 1 677 . 1 1 58 58 ARG HG3 H 1 1.528 0.030 . 1 . . . . 58 ARG HG3 . 10241 1 678 . 1 1 58 58 ARG C C 13 176.402 0.300 . 1 . . . . 58 ARG C . 10241 1 679 . 1 1 58 58 ARG CA C 13 59.139 0.300 . 1 . . . . 58 ARG CA . 10241 1 680 . 1 1 58 58 ARG CB C 13 30.106 0.300 . 1 . . . . 58 ARG CB . 10241 1 681 . 1 1 58 58 ARG CD C 13 43.190 0.300 . 1 . . . . 58 ARG CD . 10241 1 682 . 1 1 58 58 ARG CG C 13 26.766 0.300 . 1 . . . . 58 ARG CG . 10241 1 683 . 1 1 58 58 ARG N N 15 115.005 0.300 . 1 . . . . 58 ARG N . 10241 1 684 . 1 1 59 59 ASP H H 1 7.392 0.030 . 1 . . . . 59 ASP H . 10241 1 685 . 1 1 59 59 ASP HA H 1 4.803 0.030 . 1 . . . . 59 ASP HA . 10241 1 686 . 1 1 59 59 ASP HB2 H 1 3.072 0.030 . 2 . . . . 59 ASP HB2 . 10241 1 687 . 1 1 59 59 ASP HB3 H 1 2.524 0.030 . 2 . . . . 59 ASP HB3 . 10241 1 688 . 1 1 59 59 ASP C C 13 176.801 0.300 . 1 . . . . 59 ASP C . 10241 1 689 . 1 1 59 59 ASP CA C 13 52.827 0.300 . 1 . . . . 59 ASP CA . 10241 1 690 . 1 1 59 59 ASP CB C 13 42.144 0.300 . 1 . . . . 59 ASP CB . 10241 1 691 . 1 1 59 59 ASP N N 15 113.739 0.300 . 1 . . . . 59 ASP N . 10241 1 692 . 1 1 60 60 GLY H H 1 8.435 0.030 . 1 . . . . 60 GLY H . 10241 1 693 . 1 1 60 60 GLY HA2 H 1 4.125 0.030 . 2 . . . . 60 GLY HA2 . 10241 1 694 . 1 1 60 60 GLY HA3 H 1 3.868 0.030 . 2 . . . . 60 GLY HA3 . 10241 1 695 . 1 1 60 60 GLY C C 13 174.707 0.300 . 1 . . . . 60 GLY C . 10241 1 696 . 1 1 60 60 GLY CA C 13 45.917 0.300 . 1 . . . . 60 GLY CA . 10241 1 697 . 1 1 60 60 GLY N N 15 110.642 0.300 . 1 . . . . 60 GLY N . 10241 1 698 . 1 1 61 61 GLU H H 1 7.527 0.030 . 1 . . . . 61 GLU H . 10241 1 699 . 1 1 61 61 GLU HA H 1 4.163 0.030 . 1 . . . . 61 GLU HA . 10241 1 700 . 1 1 61 61 GLU HB2 H 1 1.926 0.030 . 1 . . . . 61 GLU HB2 . 10241 1 701 . 1 1 61 61 GLU HB3 H 1 1.926 0.030 . 1 . . . . 61 GLU HB3 . 10241 1 702 . 1 1 61 61 GLU HG2 H 1 2.325 0.030 . 2 . . . . 61 GLU HG2 . 10241 1 703 . 1 1 61 61 GLU HG3 H 1 2.188 0.030 . 2 . . . . 61 GLU HG3 . 10241 1 704 . 1 1 61 61 GLU C C 13 176.225 0.300 . 1 . . . . 61 GLU C . 10241 1 705 . 1 1 61 61 GLU CA C 13 58.222 0.300 . 1 . . . . 61 GLU CA . 10241 1 706 . 1 1 61 61 GLU CB C 13 29.825 0.300 . 1 . . . . 61 GLU CB . 10241 1 707 . 1 1 61 61 GLU CG C 13 36.500 0.300 . 1 . . . . 61 GLU CG . 10241 1 708 . 1 1 61 61 GLU N N 15 123.061 0.300 . 1 . . . . 61 GLU N . 10241 1 709 . 1 1 62 62 THR H H 1 8.451 0.030 . 1 . . . . 62 THR H . 10241 1 710 . 1 1 62 62 THR HA H 1 5.666 0.030 . 1 . . . . 62 THR HA . 10241 1 711 . 1 1 62 62 THR HB H 1 3.812 0.030 . 1 . . . . 62 THR HB . 10241 1 712 . 1 1 62 62 THR HG21 H 1 0.834 0.030 . 1 . . . . 62 THR HG2 . 10241 1 713 . 1 1 62 62 THR HG22 H 1 0.834 0.030 . 1 . . . . 62 THR HG2 . 10241 1 714 . 1 1 62 62 THR HG23 H 1 0.834 0.030 . 1 . . . . 62 THR HG2 . 10241 1 715 . 1 1 62 62 THR C C 13 174.469 0.300 . 1 . . . . 62 THR C . 10241 1 716 . 1 1 62 62 THR CA C 13 59.826 0.300 . 1 . . . . 62 THR CA . 10241 1 717 . 1 1 62 62 THR CB C 13 72.751 0.300 . 1 . . . . 62 THR CB . 10241 1 718 . 1 1 62 62 THR CG2 C 13 20.406 0.300 . 1 . . . . 62 THR CG2 . 10241 1 719 . 1 1 62 62 THR N N 15 117.411 0.300 . 1 . . . . 62 THR N . 10241 1 720 . 1 1 63 63 GLY H H 1 7.931 0.030 . 1 . . . . 63 GLY H . 10241 1 721 . 1 1 63 63 GLY HA2 H 1 4.124 0.030 . 2 . . . . 63 GLY HA2 . 10241 1 722 . 1 1 63 63 GLY HA3 H 1 3.936 0.030 . 2 . . . . 63 GLY HA3 . 10241 1 723 . 1 1 63 63 GLY C C 13 170.896 0.300 . 1 . . . . 63 GLY C . 10241 1 724 . 1 1 63 63 GLY CA C 13 45.652 0.300 . 1 . . . . 63 GLY CA . 10241 1 725 . 1 1 63 63 GLY N N 15 108.439 0.300 . 1 . . . . 63 GLY N . 10241 1 726 . 1 1 64 64 TRP H H 1 9.071 0.030 . 1 . . . . 64 TRP H . 10241 1 727 . 1 1 64 64 TRP HA H 1 6.061 0.030 . 1 . . . . 64 TRP HA . 10241 1 728 . 1 1 64 64 TRP HB2 H 1 3.493 0.030 . 2 . . . . 64 TRP HB2 . 10241 1 729 . 1 1 64 64 TRP HB3 H 1 3.104 0.030 . 2 . . . . 64 TRP HB3 . 10241 1 730 . 1 1 64 64 TRP HD1 H 1 7.527 0.030 . 1 . . . . 64 TRP HD1 . 10241 1 731 . 1 1 64 64 TRP HE1 H 1 10.012 0.030 . 1 . . . . 64 TRP HE1 . 10241 1 732 . 1 1 64 64 TRP HE3 H 1 7.659 0.030 . 1 . . . . 64 TRP HE3 . 10241 1 733 . 1 1 64 64 TRP HH2 H 1 6.871 0.030 . 1 . . . . 64 TRP HH2 . 10241 1 734 . 1 1 64 64 TRP HZ2 H 1 7.120 0.030 . 1 . . . . 64 TRP HZ2 . 10241 1 735 . 1 1 64 64 TRP HZ3 H 1 6.810 0.030 . 1 . . . . 64 TRP HZ3 . 10241 1 736 . 1 1 64 64 TRP C C 13 177.395 0.300 . 1 . . . . 64 TRP C . 10241 1 737 . 1 1 64 64 TRP CA C 13 57.259 0.300 . 1 . . . . 64 TRP CA . 10241 1 738 . 1 1 64 64 TRP CB C 13 31.882 0.300 . 1 . . . . 64 TRP CB . 10241 1 739 . 1 1 64 64 TRP CD1 C 13 128.355 0.300 . 1 . . . . 64 TRP CD1 . 10241 1 740 . 1 1 64 64 TRP CE3 C 13 121.494 0.300 . 1 . . . . 64 TRP CE3 . 10241 1 741 . 1 1 64 64 TRP CH2 C 13 123.978 0.300 . 1 . . . . 64 TRP CH2 . 10241 1 742 . 1 1 64 64 TRP CZ2 C 13 114.912 0.300 . 1 . . . . 64 TRP CZ2 . 10241 1 743 . 1 1 64 64 TRP CZ3 C 13 121.383 0.300 . 1 . . . . 64 TRP CZ3 . 10241 1 744 . 1 1 64 64 TRP N N 15 119.762 0.300 . 1 . . . . 64 TRP N . 10241 1 745 . 1 1 64 64 TRP NE1 N 15 130.621 0.300 . 1 . . . . 64 TRP NE1 . 10241 1 746 . 1 1 65 65 PHE H H 1 9.657 0.030 . 1 . . . . 65 PHE H . 10241 1 747 . 1 1 65 65 PHE HA H 1 4.823 0.030 . 1 . . . . 65 PHE HA . 10241 1 748 . 1 1 65 65 PHE HB2 H 1 3.189 0.030 . 2 . . . . 65 PHE HB2 . 10241 1 749 . 1 1 65 65 PHE HB3 H 1 2.000 0.030 . 2 . . . . 65 PHE HB3 . 10241 1 750 . 1 1 65 65 PHE HD1 H 1 6.580 0.030 . 1 . . . . 65 PHE HD1 . 10241 1 751 . 1 1 65 65 PHE HD2 H 1 6.580 0.030 . 1 . . . . 65 PHE HD2 . 10241 1 752 . 1 1 65 65 PHE HE1 H 1 6.412 0.030 . 1 . . . . 65 PHE HE1 . 10241 1 753 . 1 1 65 65 PHE HE2 H 1 6.412 0.030 . 1 . . . . 65 PHE HE2 . 10241 1 754 . 1 1 65 65 PHE HZ H 1 7.225 0.030 . 1 . . . . 65 PHE HZ . 10241 1 755 . 1 1 65 65 PHE C C 13 170.814 0.300 . 1 . . . . 65 PHE C . 10241 1 756 . 1 1 65 65 PHE CA C 13 55.578 0.300 . 1 . . . . 65 PHE CA . 10241 1 757 . 1 1 65 65 PHE CB C 13 38.245 0.300 . 1 . . . . 65 PHE CB . 10241 1 758 . 1 1 65 65 PHE CD1 C 13 129.962 0.300 . 1 . . . . 65 PHE CD1 . 10241 1 759 . 1 1 65 65 PHE CD2 C 13 129.962 0.300 . 1 . . . . 65 PHE CD2 . 10241 1 760 . 1 1 65 65 PHE CE1 C 13 127.627 0.300 . 1 . . . . 65 PHE CE1 . 10241 1 761 . 1 1 65 65 PHE CE2 C 13 127.627 0.300 . 1 . . . . 65 PHE CE2 . 10241 1 762 . 1 1 65 65 PHE CZ C 13 129.644 0.300 . 1 . . . . 65 PHE CZ . 10241 1 763 . 1 1 65 65 PHE N N 15 116.076 0.300 . 1 . . . . 65 PHE N . 10241 1 764 . 1 1 66 66 PRO HA H 1 3.546 0.030 . 1 . . . . 66 PRO HA . 10241 1 765 . 1 1 66 66 PRO HB2 H 1 1.515 0.030 . 2 . . . . 66 PRO HB2 . 10241 1 766 . 1 1 66 66 PRO HB3 H 1 1.387 0.030 . 2 . . . . 66 PRO HB3 . 10241 1 767 . 1 1 66 66 PRO HD2 H 1 1.848 0.030 . 1 . . . . 66 PRO HD2 . 10241 1 768 . 1 1 66 66 PRO HD3 H 1 1.848 0.030 . 1 . . . . 66 PRO HD3 . 10241 1 769 . 1 1 66 66 PRO HG2 H 1 1.081 0.030 . 2 . . . . 66 PRO HG2 . 10241 1 770 . 1 1 66 66 PRO HG3 H 1 0.423 0.030 . 2 . . . . 66 PRO HG3 . 10241 1 771 . 1 1 66 66 PRO C C 13 177.963 0.300 . 1 . . . . 66 PRO C . 10241 1 772 . 1 1 66 66 PRO CA C 13 62.065 0.300 . 1 . . . . 66 PRO CA . 10241 1 773 . 1 1 66 66 PRO CB C 13 31.116 0.300 . 1 . . . . 66 PRO CB . 10241 1 774 . 1 1 66 66 PRO CD C 13 49.474 0.300 . 1 . . . . 66 PRO CD . 10241 1 775 . 1 1 66 66 PRO CG C 13 27.429 0.300 . 1 . . . . 66 PRO CG . 10241 1 776 . 1 1 67 67 GLU H H 1 8.081 0.030 . 1 . . . . 67 GLU H . 10241 1 777 . 1 1 67 67 GLU HA H 1 3.651 0.030 . 1 . . . . 67 GLU HA . 10241 1 778 . 1 1 67 67 GLU HB2 H 1 1.816 0.030 . 2 . . . . 67 GLU HB2 . 10241 1 779 . 1 1 67 67 GLU HB3 H 1 1.741 0.030 . 2 . . . . 67 GLU HB3 . 10241 1 780 . 1 1 67 67 GLU HG2 H 1 2.276 0.030 . 2 . . . . 67 GLU HG2 . 10241 1 781 . 1 1 67 67 GLU HG3 H 1 2.088 0.030 . 2 . . . . 67 GLU HG3 . 10241 1 782 . 1 1 67 67 GLU C C 13 177.298 0.300 . 1 . . . . 67 GLU C . 10241 1 783 . 1 1 67 67 GLU CA C 13 58.746 0.300 . 1 . . . . 67 GLU CA . 10241 1 784 . 1 1 67 67 GLU CB C 13 29.820 0.300 . 1 . . . . 67 GLU CB . 10241 1 785 . 1 1 67 67 GLU CG C 13 35.748 0.300 . 1 . . . . 67 GLU CG . 10241 1 786 . 1 1 67 67 GLU N N 15 121.549 0.300 . 1 . . . . 67 GLU N . 10241 1 787 . 1 1 68 68 ASP H H 1 8.456 0.030 . 1 . . . . 68 ASP H . 10241 1 788 . 1 1 68 68 ASP HA H 1 4.539 0.030 . 1 . . . . 68 ASP HA . 10241 1 789 . 1 1 68 68 ASP HB2 H 1 2.553 0.030 . 1 . . . . 68 ASP HB2 . 10241 1 790 . 1 1 68 68 ASP HB3 H 1 2.553 0.030 . 1 . . . . 68 ASP HB3 . 10241 1 791 . 1 1 68 68 ASP C C 13 176.157 0.300 . 1 . . . . 68 ASP C . 10241 1 792 . 1 1 68 68 ASP CA C 13 55.225 0.300 . 1 . . . . 68 ASP CA . 10241 1 793 . 1 1 68 68 ASP CB C 13 39.633 0.300 . 1 . . . . 68 ASP CB . 10241 1 794 . 1 1 68 68 ASP N N 15 113.915 0.300 . 1 . . . . 68 ASP N . 10241 1 795 . 1 1 69 69 PHE H H 1 7.661 0.030 . 1 . . . . 69 PHE H . 10241 1 796 . 1 1 69 69 PHE HA H 1 4.386 0.030 . 1 . . . . 69 PHE HA . 10241 1 797 . 1 1 69 69 PHE HB2 H 1 3.685 0.030 . 2 . . . . 69 PHE HB2 . 10241 1 798 . 1 1 69 69 PHE HB3 H 1 2.978 0.030 . 2 . . . . 69 PHE HB3 . 10241 1 799 . 1 1 69 69 PHE HD1 H 1 7.304 0.030 . 1 . . . . 69 PHE HD1 . 10241 1 800 . 1 1 69 69 PHE HD2 H 1 7.304 0.030 . 1 . . . . 69 PHE HD2 . 10241 1 801 . 1 1 69 69 PHE HE1 H 1 7.573 0.030 . 1 . . . . 69 PHE HE1 . 10241 1 802 . 1 1 69 69 PHE HE2 H 1 7.573 0.030 . 1 . . . . 69 PHE HE2 . 10241 1 803 . 1 1 69 69 PHE C C 13 173.252 0.300 . 1 . . . . 69 PHE C . 10241 1 804 . 1 1 69 69 PHE CA C 13 57.758 0.300 . 1 . . . . 69 PHE CA . 10241 1 805 . 1 1 69 69 PHE CB C 13 37.019 0.300 . 1 . . . . 69 PHE CB . 10241 1 806 . 1 1 69 69 PHE CD1 C 13 132.052 0.300 . 1 . . . . 69 PHE CD1 . 10241 1 807 . 1 1 69 69 PHE CD2 C 13 132.052 0.300 . 1 . . . . 69 PHE CD2 . 10241 1 808 . 1 1 69 69 PHE CE1 C 13 131.757 0.300 . 1 . . . . 69 PHE CE1 . 10241 1 809 . 1 1 69 69 PHE CE2 C 13 131.757 0.300 . 1 . . . . 69 PHE CE2 . 10241 1 810 . 1 1 69 69 PHE N N 15 119.727 0.300 . 1 . . . . 69 PHE N . 10241 1 811 . 1 1 70 70 ALA H H 1 7.809 0.030 . 1 . . . . 70 ALA H . 10241 1 812 . 1 1 70 70 ALA HA H 1 5.256 0.030 . 1 . . . . 70 ALA HA . 10241 1 813 . 1 1 70 70 ALA HB1 H 1 1.198 0.030 . 1 . . . . 70 ALA HB . 10241 1 814 . 1 1 70 70 ALA HB2 H 1 1.198 0.030 . 1 . . . . 70 ALA HB . 10241 1 815 . 1 1 70 70 ALA HB3 H 1 1.198 0.030 . 1 . . . . 70 ALA HB . 10241 1 816 . 1 1 70 70 ALA C C 13 175.703 0.300 . 1 . . . . 70 ALA C . 10241 1 817 . 1 1 70 70 ALA CA C 13 50.800 0.300 . 1 . . . . 70 ALA CA . 10241 1 818 . 1 1 70 70 ALA CB C 13 24.061 0.300 . 1 . . . . 70 ALA CB . 10241 1 819 . 1 1 70 70 ALA N N 15 121.782 0.300 . 1 . . . . 70 ALA N . 10241 1 820 . 1 1 71 71 ARG H H 1 8.792 0.030 . 1 . . . . 71 ARG H . 10241 1 821 . 1 1 71 71 ARG HA H 1 4.828 0.030 . 1 . . . . 71 ARG HA . 10241 1 822 . 1 1 71 71 ARG HB2 H 1 1.753 0.030 . 1 . . . . 71 ARG HB2 . 10241 1 823 . 1 1 71 71 ARG HB3 H 1 1.753 0.030 . 1 . . . . 71 ARG HB3 . 10241 1 824 . 1 1 71 71 ARG HD2 H 1 3.230 0.030 . 2 . . . . 71 ARG HD2 . 10241 1 825 . 1 1 71 71 ARG HD3 H 1 3.119 0.030 . 2 . . . . 71 ARG HD3 . 10241 1 826 . 1 1 71 71 ARG HG2 H 1 1.603 0.030 . 2 . . . . 71 ARG HG2 . 10241 1 827 . 1 1 71 71 ARG HG3 H 1 1.518 0.030 . 2 . . . . 71 ARG HG3 . 10241 1 828 . 1 1 71 71 ARG C C 13 175.613 0.300 . 1 . . . . 71 ARG C . 10241 1 829 . 1 1 71 71 ARG CA C 13 54.220 0.300 . 1 . . . . 71 ARG CA . 10241 1 830 . 1 1 71 71 ARG CB C 13 33.286 0.300 . 1 . . . . 71 ARG CB . 10241 1 831 . 1 1 71 71 ARG CD C 13 43.561 0.300 . 1 . . . . 71 ARG CD . 10241 1 832 . 1 1 71 71 ARG CG C 13 26.970 0.300 . 1 . . . . 71 ARG CG . 10241 1 833 . 1 1 71 71 ARG N N 15 119.543 0.300 . 1 . . . . 71 ARG N . 10241 1 834 . 1 1 72 72 PHE H H 1 9.194 0.030 . 1 . . . . 72 PHE H . 10241 1 835 . 1 1 72 72 PHE HA H 1 4.604 0.030 . 1 . . . . 72 PHE HA . 10241 1 836 . 1 1 72 72 PHE HB2 H 1 3.030 0.030 . 1 . . . . 72 PHE HB2 . 10241 1 837 . 1 1 72 72 PHE HB3 H 1 3.030 0.030 . 1 . . . . 72 PHE HB3 . 10241 1 838 . 1 1 72 72 PHE HD1 H 1 7.368 0.030 . 1 . . . . 72 PHE HD1 . 10241 1 839 . 1 1 72 72 PHE HD2 H 1 7.368 0.030 . 1 . . . . 72 PHE HD2 . 10241 1 840 . 1 1 72 72 PHE HE1 H 1 7.208 0.030 . 1 . . . . 72 PHE HE1 . 10241 1 841 . 1 1 72 72 PHE HE2 H 1 7.208 0.030 . 1 . . . . 72 PHE HE2 . 10241 1 842 . 1 1 72 72 PHE HZ H 1 7.117 0.030 . 1 . . . . 72 PHE HZ . 10241 1 843 . 1 1 72 72 PHE C C 13 176.818 0.300 . 1 . . . . 72 PHE C . 10241 1 844 . 1 1 72 72 PHE CA C 13 59.896 0.300 . 1 . . . . 72 PHE CA . 10241 1 845 . 1 1 72 72 PHE CB C 13 39.079 0.300 . 1 . . . . 72 PHE CB . 10241 1 846 . 1 1 72 72 PHE CD1 C 13 132.213 0.300 . 1 . . . . 72 PHE CD1 . 10241 1 847 . 1 1 72 72 PHE CD2 C 13 132.213 0.300 . 1 . . . . 72 PHE CD2 . 10241 1 848 . 1 1 72 72 PHE CE1 C 13 130.998 0.300 . 1 . . . . 72 PHE CE1 . 10241 1 849 . 1 1 72 72 PHE CE2 C 13 130.998 0.300 . 1 . . . . 72 PHE CE2 . 10241 1 850 . 1 1 72 72 PHE CZ C 13 129.720 0.300 . 1 . . . . 72 PHE CZ . 10241 1 851 . 1 1 72 72 PHE N N 15 125.006 0.300 . 1 . . . . 72 PHE N . 10241 1 852 . 1 1 73 73 ILE H H 1 8.574 0.030 . 1 . . . . 73 ILE H . 10241 1 853 . 1 1 73 73 ILE HA H 1 4.390 0.030 . 1 . . . . 73 ILE HA . 10241 1 854 . 1 1 73 73 ILE HB H 1 1.901 0.030 . 1 . . . . 73 ILE HB . 10241 1 855 . 1 1 73 73 ILE HD11 H 1 0.811 0.030 . 1 . . . . 73 ILE HD1 . 10241 1 856 . 1 1 73 73 ILE HD12 H 1 0.811 0.030 . 1 . . . . 73 ILE HD1 . 10241 1 857 . 1 1 73 73 ILE HD13 H 1 0.811 0.030 . 1 . . . . 73 ILE HD1 . 10241 1 858 . 1 1 73 73 ILE HG12 H 1 1.414 0.030 . 2 . . . . 73 ILE HG12 . 10241 1 859 . 1 1 73 73 ILE HG13 H 1 0.905 0.030 . 2 . . . . 73 ILE HG13 . 10241 1 860 . 1 1 73 73 ILE HG21 H 1 0.913 0.030 . 1 . . . . 73 ILE HG2 . 10241 1 861 . 1 1 73 73 ILE HG22 H 1 0.913 0.030 . 1 . . . . 73 ILE HG2 . 10241 1 862 . 1 1 73 73 ILE HG23 H 1 0.913 0.030 . 1 . . . . 73 ILE HG2 . 10241 1 863 . 1 1 73 73 ILE C C 13 176.086 0.300 . 1 . . . . 73 ILE C . 10241 1 864 . 1 1 73 73 ILE CA C 13 61.450 0.300 . 1 . . . . 73 ILE CA . 10241 1 865 . 1 1 73 73 ILE CB C 13 39.508 0.300 . 1 . . . . 73 ILE CB . 10241 1 866 . 1 1 73 73 ILE CD1 C 13 13.897 0.300 . 1 . . . . 73 ILE CD1 . 10241 1 867 . 1 1 73 73 ILE CG1 C 13 27.141 0.300 . 1 . . . . 73 ILE CG1 . 10241 1 868 . 1 1 73 73 ILE CG2 C 13 17.901 0.300 . 1 . . . . 73 ILE CG2 . 10241 1 869 . 1 1 73 73 ILE N N 15 120.816 0.300 . 1 . . . . 73 ILE N . 10241 1 870 . 1 1 74 74 SER H H 1 8.329 0.030 . 1 . . . . 74 SER H . 10241 1 871 . 1 1 74 74 SER HA H 1 4.626 0.030 . 1 . . . . 74 SER HA . 10241 1 872 . 1 1 74 74 SER HB2 H 1 3.959 0.030 . 2 . . . . 74 SER HB2 . 10241 1 873 . 1 1 74 74 SER HB3 H 1 3.902 0.030 . 2 . . . . 74 SER HB3 . 10241 1 874 . 1 1 74 74 SER C C 13 174.223 0.300 . 1 . . . . 74 SER C . 10241 1 875 . 1 1 74 74 SER CA C 13 58.169 0.300 . 1 . . . . 74 SER CA . 10241 1 876 . 1 1 74 74 SER CB C 13 64.370 0.300 . 1 . . . . 74 SER CB . 10241 1 877 . 1 1 74 74 SER N N 15 118.251 0.300 . 1 . . . . 74 SER N . 10241 1 878 . 1 1 75 75 GLY H H 1 8.372 0.030 . 1 . . . . 75 GLY H . 10241 1 879 . 1 1 75 75 GLY HA2 H 1 4.149 0.030 . 1 . . . . 75 GLY HA2 . 10241 1 880 . 1 1 75 75 GLY HA3 H 1 4.149 0.030 . 1 . . . . 75 GLY HA3 . 10241 1 881 . 1 1 75 75 GLY C C 13 171.907 0.300 . 1 . . . . 75 GLY C . 10241 1 882 . 1 1 75 75 GLY CA C 13 44.682 0.300 . 1 . . . . 75 GLY CA . 10241 1 883 . 1 1 75 75 GLY N N 15 109.951 0.300 . 1 . . . . 75 GLY N . 10241 1 884 . 1 1 76 76 PRO HA H 1 4.456 0.030 . 1 . . . . 76 PRO HA . 10241 1 885 . 1 1 76 76 PRO HB2 H 1 2.278 0.030 . 2 . . . . 76 PRO HB2 . 10241 1 886 . 1 1 76 76 PRO HB3 H 1 1.969 0.030 . 2 . . . . 76 PRO HB3 . 10241 1 887 . 1 1 76 76 PRO HD2 H 1 3.595 0.030 . 1 . . . . 76 PRO HD2 . 10241 1 888 . 1 1 76 76 PRO HD3 H 1 3.595 0.030 . 1 . . . . 76 PRO HD3 . 10241 1 889 . 1 1 76 76 PRO HG2 H 1 2.000 0.030 . 1 . . . . 76 PRO HG2 . 10241 1 890 . 1 1 76 76 PRO HG3 H 1 2.000 0.030 . 1 . . . . 76 PRO HG3 . 10241 1 891 . 1 1 76 76 PRO CA C 13 63.394 0.300 . 1 . . . . 76 PRO CA . 10241 1 892 . 1 1 76 76 PRO CB C 13 32.180 0.300 . 1 . . . . 76 PRO CB . 10241 1 893 . 1 1 76 76 PRO CD C 13 49.766 0.300 . 1 . . . . 76 PRO CD . 10241 1 894 . 1 1 76 76 PRO CG C 13 27.154 0.300 . 1 . . . . 76 PRO CG . 10241 1 stop_ save_