data_10295 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10295 _Entry.Title ; Solution structure of the homeobox domain of Homeobox protein BarH-like 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-17 _Entry.Accession_date 2008-12-18 _Entry.Last_release_date 2009-12-17 _Entry.Original_release_date 2009-12-17 _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 S. Ohnishi . . . 10295 2 M. Yoneyama . . . 10295 3 S. Koshiba . . . 10295 4 M. Inoue . . . 10295 5 T. Kigawa . . . 10295 6 S. Yokoyama . . . 10295 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' 10295 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10295 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 10295 '15N chemical shifts' 70 10295 '1H chemical shifts' 482 10295 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 . . 2009-12-17 2008-12-17 original author . 10295 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DMT 'BMRB Entry Tracking System' 10295 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10295 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the homeobox domain of Homeobox protein BarH-like 1' _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 S. Ohnishi . . . 10295 1 2 M. Yoneyama . . . 10295 1 3 S. Koshiba . . . 10295 1 4 M. Inoue . . . 10295 1 5 T. Kigawa . . . 10295 1 6 S. Yokoyama . . . 10295 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10295 _Assembly.ID 1 _Assembly.Name 'Homeobox protein BarH-like 1' _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 'homeobox domain' 1 $entity_1 . . yes native no no . . . 10295 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 2DMT . . . . . . 10295 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10295 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'homeobox 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 ; GSSGSSGGEPGTKAKKGRRS RTVFTELQLMGLEKRFEKQK YLSTPDRIDLAESLGLSQLQ VKTWYQNRRMKWKKSGPSSG ; _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 80 _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 2DMT . "Solution Structure Of The Homeobox Domain Of Homeobox Protein Barh-Like 1" . . . . . 100.00 80 100.00 100.00 5.75e-48 . . . . 10295 1 2 no DBJ BAO79524 . "homeobox protein BarH-like 1, partial [Suncus murinus]" . . . . . 83.75 216 98.51 100.00 1.07e-38 . . . . 10295 1 3 no EMBL CAA69257 . "homeodomain protein [Mus musculus]" . . . . . 83.75 147 98.51 98.51 2.19e-38 . . . . 10295 1 4 no EMBL CAC10357 . "Barx1 homeobox transcription factor [Mus musculus]" . . . . . 83.75 254 98.51 98.51 1.14e-37 . . . . 10295 1 5 no GB AAD21043 . "homeodomain-containing transcription factor BarX-1, partial [Gallus gallus]" . . . . . 83.75 207 98.51 100.00 1.56e-38 . . . . 10295 1 6 no GB AAG18573 . "homeodomain transcription factor BARX1 [Mus musculus]" . . . . . 83.75 225 98.51 98.51 5.47e-38 . . . . 10295 1 7 no GB AAG23738 . "homeobox transcription factor BARX1 [Homo sapiens]" . . . . . 83.75 225 100.00 100.00 4.03e-39 . . . . 10295 1 8 no GB AAH09458 . "BARX1 protein [Homo sapiens]" . . . . . 56.25 100 100.00 100.00 4.41e-23 . . . . 10295 1 9 no GB AAH64363 . "BARX1 protein [Homo sapiens]" . . . . . 83.75 254 100.00 100.00 9.13e-39 . . . . 10295 1 10 no REF NP_001102350 . "homeobox protein BarH-like 1 [Rattus norvegicus]" . . . . . 83.75 254 100.00 100.00 2.72e-38 . . . . 10295 1 11 no REF NP_031552 . "homeobox protein BarH-like 1 [Mus musculus]" . . . . . 83.75 254 98.51 98.51 1.14e-37 . . . . 10295 1 12 no REF NP_067545 . "homeobox protein BarH-like 1 [Homo sapiens]" . . . . . 83.75 254 100.00 100.00 9.13e-39 . . . . 10295 1 13 no REF XP_001109954 . "PREDICTED: homeobox protein BarH-like 1-like [Macaca mulatta]" . . . . . 83.75 300 100.00 100.00 9.00e-38 . . . . 10295 1 14 no REF XP_001507934 . "PREDICTED: homeobox protein BarH-like 1 [Ornithorhynchus anatinus]" . . . . . 82.50 248 98.48 98.48 2.50e-37 . . . . 10295 1 15 no SP Q9ER42 . "RecName: Full=Homeobox protein BarH-like 1" . . . . . 83.75 254 98.51 98.51 1.14e-37 . . . . 10295 1 16 no SP Q9HBU1 . "RecName: Full=Homeobox protein BarH-like 1" . . . . . 83.75 254 100.00 100.00 9.13e-39 . . . . 10295 1 17 no SP Q9W6D8 . "RecName: Full=Homeobox protein BarH-like 1" . . . . . 83.75 207 98.51 100.00 1.56e-38 . . . . 10295 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'homeobox domain' . 10295 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 . 10295 1 2 . SER . 10295 1 3 . SER . 10295 1 4 . GLY . 10295 1 5 . SER . 10295 1 6 . SER . 10295 1 7 . GLY . 10295 1 8 . GLY . 10295 1 9 . GLU . 10295 1 10 . PRO . 10295 1 11 . GLY . 10295 1 12 . THR . 10295 1 13 . LYS . 10295 1 14 . ALA . 10295 1 15 . LYS . 10295 1 16 . LYS . 10295 1 17 . GLY . 10295 1 18 . ARG . 10295 1 19 . ARG . 10295 1 20 . SER . 10295 1 21 . ARG . 10295 1 22 . THR . 10295 1 23 . VAL . 10295 1 24 . PHE . 10295 1 25 . THR . 10295 1 26 . GLU . 10295 1 27 . LEU . 10295 1 28 . GLN . 10295 1 29 . LEU . 10295 1 30 . MET . 10295 1 31 . GLY . 10295 1 32 . LEU . 10295 1 33 . GLU . 10295 1 34 . LYS . 10295 1 35 . ARG . 10295 1 36 . PHE . 10295 1 37 . GLU . 10295 1 38 . LYS . 10295 1 39 . GLN . 10295 1 40 . LYS . 10295 1 41 . TYR . 10295 1 42 . LEU . 10295 1 43 . SER . 10295 1 44 . THR . 10295 1 45 . PRO . 10295 1 46 . ASP . 10295 1 47 . ARG . 10295 1 48 . ILE . 10295 1 49 . ASP . 10295 1 50 . LEU . 10295 1 51 . ALA . 10295 1 52 . GLU . 10295 1 53 . SER . 10295 1 54 . LEU . 10295 1 55 . GLY . 10295 1 56 . LEU . 10295 1 57 . SER . 10295 1 58 . GLN . 10295 1 59 . LEU . 10295 1 60 . GLN . 10295 1 61 . VAL . 10295 1 62 . LYS . 10295 1 63 . THR . 10295 1 64 . TRP . 10295 1 65 . TYR . 10295 1 66 . GLN . 10295 1 67 . ASN . 10295 1 68 . ARG . 10295 1 69 . ARG . 10295 1 70 . MET . 10295 1 71 . LYS . 10295 1 72 . TRP . 10295 1 73 . LYS . 10295 1 74 . LYS . 10295 1 75 . SER . 10295 1 76 . GLY . 10295 1 77 . PRO . 10295 1 78 . SER . 10295 1 79 . SER . 10295 1 80 . GLY . 10295 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 10295 1 . SER 2 2 10295 1 . SER 3 3 10295 1 . GLY 4 4 10295 1 . SER 5 5 10295 1 . SER 6 6 10295 1 . GLY 7 7 10295 1 . GLY 8 8 10295 1 . GLU 9 9 10295 1 . PRO 10 10 10295 1 . GLY 11 11 10295 1 . THR 12 12 10295 1 . LYS 13 13 10295 1 . ALA 14 14 10295 1 . LYS 15 15 10295 1 . LYS 16 16 10295 1 . GLY 17 17 10295 1 . ARG 18 18 10295 1 . ARG 19 19 10295 1 . SER 20 20 10295 1 . ARG 21 21 10295 1 . THR 22 22 10295 1 . VAL 23 23 10295 1 . PHE 24 24 10295 1 . THR 25 25 10295 1 . GLU 26 26 10295 1 . LEU 27 27 10295 1 . GLN 28 28 10295 1 . LEU 29 29 10295 1 . MET 30 30 10295 1 . GLY 31 31 10295 1 . LEU 32 32 10295 1 . GLU 33 33 10295 1 . LYS 34 34 10295 1 . ARG 35 35 10295 1 . PHE 36 36 10295 1 . GLU 37 37 10295 1 . LYS 38 38 10295 1 . GLN 39 39 10295 1 . LYS 40 40 10295 1 . TYR 41 41 10295 1 . LEU 42 42 10295 1 . SER 43 43 10295 1 . THR 44 44 10295 1 . PRO 45 45 10295 1 . ASP 46 46 10295 1 . ARG 47 47 10295 1 . ILE 48 48 10295 1 . ASP 49 49 10295 1 . LEU 50 50 10295 1 . ALA 51 51 10295 1 . GLU 52 52 10295 1 . SER 53 53 10295 1 . LEU 54 54 10295 1 . GLY 55 55 10295 1 . LEU 56 56 10295 1 . SER 57 57 10295 1 . GLN 58 58 10295 1 . LEU 59 59 10295 1 . GLN 60 60 10295 1 . VAL 61 61 10295 1 . LYS 62 62 10295 1 . THR 63 63 10295 1 . TRP 64 64 10295 1 . TYR 65 65 10295 1 . GLN 66 66 10295 1 . ASN 67 67 10295 1 . ARG 68 68 10295 1 . ARG 69 69 10295 1 . MET 70 70 10295 1 . LYS 71 71 10295 1 . TRP 72 72 10295 1 . LYS 73 73 10295 1 . LYS 74 74 10295 1 . SER 75 75 10295 1 . GLY 76 76 10295 1 . PRO 77 77 10295 1 . SER 78 78 10295 1 . SER 79 79 10295 1 . GLY 80 80 10295 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 10295 _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 . . . . . . . . . . . . . . . . . . . . . 10295 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 10295 _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 . . P050919-24 . . . . . . 10295 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10295 _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 'homeobox domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.0 . . mM . . . . 10295 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10295 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10295 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10295 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10295 1 6 D2O . . . . . . solvent 10 . . % . . . . 10295 1 7 H2O . . . . . . solvent 90 . . % . . . . 10295 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 10295 _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 10295 1 pH 7.0 0.05 pH 10295 1 pressure 1 0.001 atm 10295 1 temperature 298 0.1 K 10295 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10295 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10295 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10295 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10295 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10295 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10295 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10295 _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.' . . 10295 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10295 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10295 _Software.ID 4 _Software.Name Kujira _Software.Version 0.965 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10295 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10295 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10295 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10295 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10295 5 'structure solution' 10295 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 10295 _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 10295 _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 . . . 10295 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 10295 _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 . . . . . . . . . . . . . . . . 10295 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10295 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 10295 _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 . . . . . . . . . 10295 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10295 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10295 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 10295 _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 10295 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10295 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 4.014 0.030 . 1 . . . . 7 GLY HA2 . 10295 1 2 . 1 1 7 7 GLY HA3 H 1 4.014 0.030 . 1 . . . . 7 GLY HA3 . 10295 1 3 . 1 1 7 7 GLY C C 13 174.578 0.300 . 1 . . . . 7 GLY C . 10295 1 4 . 1 1 7 7 GLY CA C 13 45.445 0.300 . 1 . . . . 7 GLY CA . 10295 1 5 . 1 1 8 8 GLY H H 1 8.219 0.030 . 1 . . . . 8 GLY H . 10295 1 6 . 1 1 8 8 GLY HA2 H 1 3.959 0.030 . 1 . . . . 8 GLY HA2 . 10295 1 7 . 1 1 8 8 GLY HA3 H 1 3.959 0.030 . 1 . . . . 8 GLY HA3 . 10295 1 8 . 1 1 8 8 GLY C C 13 173.898 0.300 . 1 . . . . 8 GLY C . 10295 1 9 . 1 1 8 8 GLY CA C 13 44.923 0.300 . 1 . . . . 8 GLY CA . 10295 1 10 . 1 1 8 8 GLY N N 15 108.655 0.300 . 1 . . . . 8 GLY N . 10295 1 11 . 1 1 9 9 GLU H H 1 8.378 0.030 . 1 . . . . 9 GLU H . 10295 1 12 . 1 1 9 9 GLU HA H 1 4.586 0.030 . 1 . . . . 9 GLU HA . 10295 1 13 . 1 1 9 9 GLU HB2 H 1 1.918 0.030 . 2 . . . . 9 GLU HB2 . 10295 1 14 . 1 1 9 9 GLU HB3 H 1 2.048 0.030 . 2 . . . . 9 GLU HB3 . 10295 1 15 . 1 1 9 9 GLU HG2 H 1 2.291 0.030 . 2 . . . . 9 GLU HG2 . 10295 1 16 . 1 1 9 9 GLU C C 13 175.015 0.300 . 1 . . . . 9 GLU C . 10295 1 17 . 1 1 9 9 GLU CA C 13 54.661 0.300 . 1 . . . . 9 GLU CA . 10295 1 18 . 1 1 9 9 GLU CB C 13 29.534 0.300 . 1 . . . . 9 GLU CB . 10295 1 19 . 1 1 9 9 GLU CG C 13 36.009 0.300 . 1 . . . . 9 GLU CG . 10295 1 20 . 1 1 9 9 GLU N N 15 121.838 0.300 . 1 . . . . 9 GLU N . 10295 1 21 . 1 1 10 10 PRO HA H 1 4.428 0.030 . 1 . . . . 10 PRO HA . 10295 1 22 . 1 1 10 10 PRO HB2 H 1 1.973 0.030 . 2 . . . . 10 PRO HB2 . 10295 1 23 . 1 1 10 10 PRO HB3 H 1 2.308 0.030 . 2 . . . . 10 PRO HB3 . 10295 1 24 . 1 1 10 10 PRO HD2 H 1 3.728 0.030 . 2 . . . . 10 PRO HD2 . 10295 1 25 . 1 1 10 10 PRO HD3 H 1 3.840 0.030 . 2 . . . . 10 PRO HD3 . 10295 1 26 . 1 1 10 10 PRO HG2 H 1 2.066 0.030 . 2 . . . . 10 PRO HG2 . 10295 1 27 . 1 1 10 10 PRO HG3 H 1 2.036 0.030 . 2 . . . . 10 PRO HG3 . 10295 1 28 . 1 1 10 10 PRO C C 13 177.856 0.300 . 1 . . . . 10 PRO C . 10295 1 29 . 1 1 10 10 PRO CA C 13 63.767 0.300 . 1 . . . . 10 PRO CA . 10295 1 30 . 1 1 10 10 PRO CB C 13 32.080 0.300 . 1 . . . . 10 PRO CB . 10295 1 31 . 1 1 10 10 PRO CD C 13 50.707 0.300 . 1 . . . . 10 PRO CD . 10295 1 32 . 1 1 10 10 PRO CG C 13 27.430 0.300 . 1 . . . . 10 PRO CG . 10295 1 33 . 1 1 11 11 GLY H H 1 8.556 0.030 . 1 . . . . 11 GLY H . 10295 1 34 . 1 1 11 11 GLY HA2 H 1 3.997 0.030 . 1 . . . . 11 GLY HA2 . 10295 1 35 . 1 1 11 11 GLY HA3 H 1 3.997 0.030 . 1 . . . . 11 GLY HA3 . 10295 1 36 . 1 1 11 11 GLY C C 13 174.724 0.300 . 1 . . . . 11 GLY C . 10295 1 37 . 1 1 11 11 GLY CA C 13 45.529 0.300 . 1 . . . . 11 GLY CA . 10295 1 38 . 1 1 11 11 GLY N N 15 108.931 0.300 . 1 . . . . 11 GLY N . 10295 1 39 . 1 1 12 12 THR H H 1 7.973 0.030 . 1 . . . . 12 THR H . 10295 1 40 . 1 1 12 12 THR HA H 1 4.306 0.030 . 1 . . . . 12 THR HA . 10295 1 41 . 1 1 12 12 THR HB H 1 4.247 0.030 . 1 . . . . 12 THR HB . 10295 1 42 . 1 1 12 12 THR HG21 H 1 1.210 0.030 . 1 . . . . 12 THR HG2 . 10295 1 43 . 1 1 12 12 THR HG22 H 1 1.210 0.030 . 1 . . . . 12 THR HG2 . 10295 1 44 . 1 1 12 12 THR HG23 H 1 1.210 0.030 . 1 . . . . 12 THR HG2 . 10295 1 45 . 1 1 12 12 THR C C 13 174.942 0.300 . 1 . . . . 12 THR C . 10295 1 46 . 1 1 12 12 THR CA C 13 62.240 0.300 . 1 . . . . 12 THR CA . 10295 1 47 . 1 1 12 12 THR CB C 13 69.882 0.300 . 1 . . . . 12 THR CB . 10295 1 48 . 1 1 12 12 THR CG2 C 13 21.700 0.300 . 1 . . . . 12 THR CG2 . 10295 1 49 . 1 1 12 12 THR N N 15 113.454 0.300 . 1 . . . . 12 THR N . 10295 1 50 . 1 1 13 13 LYS H H 1 8.313 0.030 . 1 . . . . 13 LYS H . 10295 1 51 . 1 1 13 13 LYS HA H 1 4.281 0.030 . 1 . . . . 13 LYS HA . 10295 1 52 . 1 1 13 13 LYS HB2 H 1 1.836 0.030 . 1 . . . . 13 LYS HB2 . 10295 1 53 . 1 1 13 13 LYS HB3 H 1 1.836 0.030 . 1 . . . . 13 LYS HB3 . 10295 1 54 . 1 1 13 13 LYS HD2 H 1 1.683 0.030 . 2 . . . . 13 LYS HD2 . 10295 1 55 . 1 1 13 13 LYS HE2 H 1 2.992 0.030 . 2 . . . . 13 LYS HE2 . 10295 1 56 . 1 1 13 13 LYS HG2 H 1 1.476 0.030 . 2 . . . . 13 LYS HG2 . 10295 1 57 . 1 1 13 13 LYS HG3 H 1 1.562 0.030 . 2 . . . . 13 LYS HG3 . 10295 1 58 . 1 1 13 13 LYS C C 13 176.520 0.300 . 1 . . . . 13 LYS C . 10295 1 59 . 1 1 13 13 LYS CA C 13 56.565 0.300 . 1 . . . . 13 LYS CA . 10295 1 60 . 1 1 13 13 LYS CB C 13 32.590 0.300 . 1 . . . . 13 LYS CB . 10295 1 61 . 1 1 13 13 LYS CD C 13 29.055 0.300 . 1 . . . . 13 LYS CD . 10295 1 62 . 1 1 13 13 LYS CE C 13 42.158 0.300 . 1 . . . . 13 LYS CE . 10295 1 63 . 1 1 13 13 LYS CG C 13 24.810 0.300 . 1 . . . . 13 LYS CG . 10295 1 64 . 1 1 13 13 LYS N N 15 123.479 0.300 . 1 . . . . 13 LYS N . 10295 1 65 . 1 1 14 14 ALA H H 1 8.192 0.030 . 1 . . . . 14 ALA H . 10295 1 66 . 1 1 14 14 ALA HA H 1 4.272 0.030 . 1 . . . . 14 ALA HA . 10295 1 67 . 1 1 14 14 ALA HB1 H 1 1.372 0.030 . 1 . . . . 14 ALA HB . 10295 1 68 . 1 1 14 14 ALA HB2 H 1 1.372 0.030 . 1 . . . . 14 ALA HB . 10295 1 69 . 1 1 14 14 ALA HB3 H 1 1.372 0.030 . 1 . . . . 14 ALA HB . 10295 1 70 . 1 1 14 14 ALA C C 13 177.807 0.300 . 1 . . . . 14 ALA C . 10295 1 71 . 1 1 14 14 ALA CA C 13 52.581 0.300 . 1 . . . . 14 ALA CA . 10295 1 72 . 1 1 14 14 ALA CB C 13 19.258 0.300 . 1 . . . . 14 ALA CB . 10295 1 73 . 1 1 14 14 ALA N N 15 124.692 0.300 . 1 . . . . 14 ALA N . 10295 1 74 . 1 1 15 15 LYS H H 1 8.264 0.030 . 1 . . . . 15 LYS H . 10295 1 75 . 1 1 15 15 LYS HA H 1 4.296 0.030 . 1 . . . . 15 LYS HA . 10295 1 76 . 1 1 15 15 LYS HB2 H 1 1.820 0.030 . 1 . . . . 15 LYS HB2 . 10295 1 77 . 1 1 15 15 LYS HB3 H 1 1.820 0.030 . 1 . . . . 15 LYS HB3 . 10295 1 78 . 1 1 15 15 LYS HD2 H 1 1.647 0.030 . 2 . . . . 15 LYS HD2 . 10295 1 79 . 1 1 15 15 LYS HE2 H 1 2.990 0.030 . 2 . . . . 15 LYS HE2 . 10295 1 80 . 1 1 15 15 LYS HG2 H 1 1.449 0.030 . 2 . . . . 15 LYS HG2 . 10295 1 81 . 1 1 15 15 LYS C C 13 176.812 0.300 . 1 . . . . 15 LYS C . 10295 1 82 . 1 1 15 15 LYS CA C 13 56.403 0.300 . 1 . . . . 15 LYS CA . 10295 1 83 . 1 1 15 15 LYS CB C 13 32.979 0.300 . 1 . . . . 15 LYS CB . 10295 1 84 . 1 1 15 15 LYS CD C 13 29.209 0.300 . 1 . . . . 15 LYS CD . 10295 1 85 . 1 1 15 15 LYS CE C 13 42.246 0.300 . 1 . . . . 15 LYS CE . 10295 1 86 . 1 1 15 15 LYS CG C 13 24.892 0.300 . 1 . . . . 15 LYS CG . 10295 1 87 . 1 1 15 15 LYS N N 15 120.979 0.300 . 1 . . . . 15 LYS N . 10295 1 88 . 1 1 16 16 LYS H H 1 8.330 0.030 . 1 . . . . 16 LYS H . 10295 1 89 . 1 1 16 16 LYS HA H 1 4.289 0.030 . 1 . . . . 16 LYS HA . 10295 1 90 . 1 1 16 16 LYS HB2 H 1 1.768 0.030 . 2 . . . . 16 LYS HB2 . 10295 1 91 . 1 1 16 16 LYS HB3 H 1 1.845 0.030 . 2 . . . . 16 LYS HB3 . 10295 1 92 . 1 1 16 16 LYS HG2 H 1 1.455 0.030 . 2 . . . . 16 LYS HG2 . 10295 1 93 . 1 1 16 16 LYS C C 13 177.103 0.300 . 1 . . . . 16 LYS C . 10295 1 94 . 1 1 16 16 LYS CB C 13 33.072 0.300 . 1 . . . . 16 LYS CB . 10295 1 95 . 1 1 16 16 LYS CD C 13 29.292 0.300 . 1 . . . . 16 LYS CD . 10295 1 96 . 1 1 16 16 LYS CE C 13 42.122 0.300 . 1 . . . . 16 LYS CE . 10295 1 97 . 1 1 16 16 LYS CG C 13 24.909 0.300 . 1 . . . . 16 LYS CG . 10295 1 98 . 1 1 16 16 LYS N N 15 122.581 0.300 . 1 . . . . 16 LYS N . 10295 1 99 . 1 1 22 22 THR HA H 1 4.294 0.030 . 1 . . . . 22 THR HA . 10295 1 100 . 1 1 22 22 THR HB H 1 4.096 0.030 . 1 . . . . 22 THR HB . 10295 1 101 . 1 1 22 22 THR HG21 H 1 1.055 0.030 . 1 . . . . 22 THR HG2 . 10295 1 102 . 1 1 22 22 THR HG22 H 1 1.055 0.030 . 1 . . . . 22 THR HG2 . 10295 1 103 . 1 1 22 22 THR HG23 H 1 1.055 0.030 . 1 . . . . 22 THR HG2 . 10295 1 104 . 1 1 22 22 THR C C 13 174.020 0.300 . 1 . . . . 22 THR C . 10295 1 105 . 1 1 22 22 THR CA C 13 61.928 0.300 . 1 . . . . 22 THR CA . 10295 1 106 . 1 1 22 22 THR CB C 13 69.730 0.300 . 1 . . . . 22 THR CB . 10295 1 107 . 1 1 22 22 THR CG2 C 13 21.699 0.300 . 1 . . . . 22 THR CG2 . 10295 1 108 . 1 1 23 23 VAL H H 1 8.087 0.030 . 1 . . . . 23 VAL H . 10295 1 109 . 1 1 23 23 VAL HA H 1 4.112 0.030 . 1 . . . . 23 VAL HA . 10295 1 110 . 1 1 23 23 VAL HB H 1 1.984 0.030 . 1 . . . . 23 VAL HB . 10295 1 111 . 1 1 23 23 VAL HG11 H 1 0.829 0.030 . 1 . . . . 23 VAL HG1 . 10295 1 112 . 1 1 23 23 VAL HG12 H 1 0.829 0.030 . 1 . . . . 23 VAL HG1 . 10295 1 113 . 1 1 23 23 VAL HG13 H 1 0.829 0.030 . 1 . . . . 23 VAL HG1 . 10295 1 114 . 1 1 23 23 VAL HG21 H 1 0.805 0.030 . 1 . . . . 23 VAL HG2 . 10295 1 115 . 1 1 23 23 VAL HG22 H 1 0.805 0.030 . 1 . . . . 23 VAL HG2 . 10295 1 116 . 1 1 23 23 VAL HG23 H 1 0.805 0.030 . 1 . . . . 23 VAL HG2 . 10295 1 117 . 1 1 23 23 VAL C C 13 175.646 0.300 . 1 . . . . 23 VAL C . 10295 1 118 . 1 1 23 23 VAL CA C 13 62.011 0.300 . 1 . . . . 23 VAL CA . 10295 1 119 . 1 1 23 23 VAL CB C 13 33.060 0.300 . 1 . . . . 23 VAL CB . 10295 1 120 . 1 1 23 23 VAL CG1 C 13 20.277 0.300 . 2 . . . . 23 VAL CG1 . 10295 1 121 . 1 1 23 23 VAL CG2 C 13 21.042 0.300 . 2 . . . . 23 VAL CG2 . 10295 1 122 . 1 1 23 23 VAL N N 15 123.252 0.300 . 1 . . . . 23 VAL N . 10295 1 123 . 1 1 24 24 PHE H H 1 8.220 0.030 . 1 . . . . 24 PHE H . 10295 1 124 . 1 1 24 24 PHE HA H 1 4.976 0.030 . 1 . . . . 24 PHE HA . 10295 1 125 . 1 1 24 24 PHE HB2 H 1 2.864 0.030 . 2 . . . . 24 PHE HB2 . 10295 1 126 . 1 1 24 24 PHE HB3 H 1 3.204 0.030 . 2 . . . . 24 PHE HB3 . 10295 1 127 . 1 1 24 24 PHE HD1 H 1 7.131 0.030 . 1 . . . . 24 PHE HD1 . 10295 1 128 . 1 1 24 24 PHE HD2 H 1 7.131 0.030 . 1 . . . . 24 PHE HD2 . 10295 1 129 . 1 1 24 24 PHE HE1 H 1 7.245 0.030 . 1 . . . . 24 PHE HE1 . 10295 1 130 . 1 1 24 24 PHE HE2 H 1 7.245 0.030 . 1 . . . . 24 PHE HE2 . 10295 1 131 . 1 1 24 24 PHE HZ H 1 7.416 0.030 . 1 . . . . 24 PHE HZ . 10295 1 132 . 1 1 24 24 PHE C C 13 176.739 0.300 . 1 . . . . 24 PHE C . 10295 1 133 . 1 1 24 24 PHE CA C 13 56.389 0.300 . 1 . . . . 24 PHE CA . 10295 1 134 . 1 1 24 24 PHE CB C 13 40.492 0.300 . 1 . . . . 24 PHE CB . 10295 1 135 . 1 1 24 24 PHE CD1 C 13 131.219 0.300 . 1 . . . . 24 PHE CD1 . 10295 1 136 . 1 1 24 24 PHE CD2 C 13 131.219 0.300 . 1 . . . . 24 PHE CD2 . 10295 1 137 . 1 1 24 24 PHE CE1 C 13 131.281 0.300 . 1 . . . . 24 PHE CE1 . 10295 1 138 . 1 1 24 24 PHE CE2 C 13 131.281 0.300 . 1 . . . . 24 PHE CE2 . 10295 1 139 . 1 1 24 24 PHE CZ C 13 129.168 0.300 . 1 . . . . 24 PHE CZ . 10295 1 140 . 1 1 24 24 PHE N N 15 123.332 0.300 . 1 . . . . 24 PHE N . 10295 1 141 . 1 1 25 25 THR H H 1 9.003 0.030 . 1 . . . . 25 THR H . 10295 1 142 . 1 1 25 25 THR HA H 1 4.470 0.030 . 1 . . . . 25 THR HA . 10295 1 143 . 1 1 25 25 THR HB H 1 4.774 0.030 . 1 . . . . 25 THR HB . 10295 1 144 . 1 1 25 25 THR HG21 H 1 1.310 0.030 . 1 . . . . 25 THR HG2 . 10295 1 145 . 1 1 25 25 THR HG22 H 1 1.310 0.030 . 1 . . . . 25 THR HG2 . 10295 1 146 . 1 1 25 25 THR HG23 H 1 1.310 0.030 . 1 . . . . 25 THR HG2 . 10295 1 147 . 1 1 25 25 THR C C 13 175.209 0.300 . 1 . . . . 25 THR C . 10295 1 148 . 1 1 25 25 THR CA C 13 60.598 0.300 . 1 . . . . 25 THR CA . 10295 1 149 . 1 1 25 25 THR CB C 13 70.801 0.300 . 1 . . . . 25 THR CB . 10295 1 150 . 1 1 25 25 THR CG2 C 13 21.536 0.300 . 1 . . . . 25 THR CG2 . 10295 1 151 . 1 1 25 25 THR N N 15 113.078 0.300 . 1 . . . . 25 THR N . 10295 1 152 . 1 1 26 26 GLU H H 1 8.991 0.030 . 1 . . . . 26 GLU H . 10295 1 153 . 1 1 26 26 GLU HA H 1 4.036 0.030 . 1 . . . . 26 GLU HA . 10295 1 154 . 1 1 26 26 GLU HB2 H 1 2.084 0.030 . 1 . . . . 26 GLU HB2 . 10295 1 155 . 1 1 26 26 GLU HB3 H 1 2.084 0.030 . 1 . . . . 26 GLU HB3 . 10295 1 156 . 1 1 26 26 GLU HG2 H 1 2.398 0.030 . 2 . . . . 26 GLU HG2 . 10295 1 157 . 1 1 26 26 GLU HG3 H 1 2.324 0.030 . 2 . . . . 26 GLU HG3 . 10295 1 158 . 1 1 26 26 GLU C C 13 179.118 0.300 . 1 . . . . 26 GLU C . 10295 1 159 . 1 1 26 26 GLU CA C 13 60.222 0.300 . 1 . . . . 26 GLU CA . 10295 1 160 . 1 1 26 26 GLU CB C 13 29.271 0.300 . 1 . . . . 26 GLU CB . 10295 1 161 . 1 1 26 26 GLU CG C 13 36.675 0.300 . 1 . . . . 26 GLU CG . 10295 1 162 . 1 1 26 26 GLU N N 15 120.978 0.300 . 1 . . . . 26 GLU N . 10295 1 163 . 1 1 27 27 LEU H H 1 8.120 0.030 . 1 . . . . 27 LEU H . 10295 1 164 . 1 1 27 27 LEU HA H 1 4.117 0.030 . 1 . . . . 27 LEU HA . 10295 1 165 . 1 1 27 27 LEU HB2 H 1 1.697 0.030 . 2 . . . . 27 LEU HB2 . 10295 1 166 . 1 1 27 27 LEU HB3 H 1 1.536 0.030 . 2 . . . . 27 LEU HB3 . 10295 1 167 . 1 1 27 27 LEU HD11 H 1 0.929 0.030 . 1 . . . . 27 LEU HD1 . 10295 1 168 . 1 1 27 27 LEU HD12 H 1 0.929 0.030 . 1 . . . . 27 LEU HD1 . 10295 1 169 . 1 1 27 27 LEU HD13 H 1 0.929 0.030 . 1 . . . . 27 LEU HD1 . 10295 1 170 . 1 1 27 27 LEU HD21 H 1 0.882 0.030 . 1 . . . . 27 LEU HD2 . 10295 1 171 . 1 1 27 27 LEU HD22 H 1 0.882 0.030 . 1 . . . . 27 LEU HD2 . 10295 1 172 . 1 1 27 27 LEU HD23 H 1 0.882 0.030 . 1 . . . . 27 LEU HD2 . 10295 1 173 . 1 1 27 27 LEU HG H 1 1.656 0.030 . 1 . . . . 27 LEU HG . 10295 1 174 . 1 1 27 27 LEU C C 13 180.623 0.300 . 1 . . . . 27 LEU C . 10295 1 175 . 1 1 27 27 LEU CA C 13 58.187 0.300 . 1 . . . . 27 LEU CA . 10295 1 176 . 1 1 27 27 LEU CB C 13 42.220 0.300 . 1 . . . . 27 LEU CB . 10295 1 177 . 1 1 27 27 LEU CD1 C 13 24.808 0.300 . 2 . . . . 27 LEU CD1 . 10295 1 178 . 1 1 27 27 LEU CD2 C 13 24.168 0.300 . 2 . . . . 27 LEU CD2 . 10295 1 179 . 1 1 27 27 LEU CG C 13 27.134 0.300 . 1 . . . . 27 LEU CG . 10295 1 180 . 1 1 27 27 LEU N N 15 118.897 0.300 . 1 . . . . 27 LEU N . 10295 1 181 . 1 1 28 28 GLN H H 1 7.733 0.030 . 1 . . . . 28 GLN H . 10295 1 182 . 1 1 28 28 GLN HA H 1 3.864 0.030 . 1 . . . . 28 GLN HA . 10295 1 183 . 1 1 28 28 GLN HB2 H 1 1.525 0.030 . 2 . . . . 28 GLN HB2 . 10295 1 184 . 1 1 28 28 GLN HB3 H 1 2.620 0.030 . 2 . . . . 28 GLN HB3 . 10295 1 185 . 1 1 28 28 GLN HE21 H 1 7.493 0.030 . 2 . . . . 28 GLN HE21 . 10295 1 186 . 1 1 28 28 GLN HE22 H 1 6.573 0.030 . 2 . . . . 28 GLN HE22 . 10295 1 187 . 1 1 28 28 GLN HG2 H 1 2.543 0.030 . 1 . . . . 28 GLN HG2 . 10295 1 188 . 1 1 28 28 GLN HG3 H 1 2.543 0.030 . 1 . . . . 28 GLN HG3 . 10295 1 189 . 1 1 28 28 GLN C C 13 177.492 0.300 . 1 . . . . 28 GLN C . 10295 1 190 . 1 1 28 28 GLN CA C 13 59.212 0.300 . 1 . . . . 28 GLN CA . 10295 1 191 . 1 1 28 28 GLN CB C 13 27.740 0.300 . 1 . . . . 28 GLN CB . 10295 1 192 . 1 1 28 28 GLN CG C 13 34.797 0.300 . 1 . . . . 28 GLN CG . 10295 1 193 . 1 1 28 28 GLN N N 15 119.947 0.300 . 1 . . . . 28 GLN N . 10295 1 194 . 1 1 28 28 GLN NE2 N 15 109.659 0.300 . 1 . . . . 28 GLN NE2 . 10295 1 195 . 1 1 29 29 LEU H H 1 8.336 0.030 . 1 . . . . 29 LEU H . 10295 1 196 . 1 1 29 29 LEU HA H 1 3.665 0.030 . 1 . . . . 29 LEU HA . 10295 1 197 . 1 1 29 29 LEU HB2 H 1 1.569 0.030 . 2 . . . . 29 LEU HB2 . 10295 1 198 . 1 1 29 29 LEU HB3 H 1 1.795 0.030 . 2 . . . . 29 LEU HB3 . 10295 1 199 . 1 1 29 29 LEU HD11 H 1 0.934 0.030 . 1 . . . . 29 LEU HD1 . 10295 1 200 . 1 1 29 29 LEU HD12 H 1 0.934 0.030 . 1 . . . . 29 LEU HD1 . 10295 1 201 . 1 1 29 29 LEU HD13 H 1 0.934 0.030 . 1 . . . . 29 LEU HD1 . 10295 1 202 . 1 1 29 29 LEU HD21 H 1 0.818 0.030 . 1 . . . . 29 LEU HD2 . 10295 1 203 . 1 1 29 29 LEU HD22 H 1 0.818 0.030 . 1 . . . . 29 LEU HD2 . 10295 1 204 . 1 1 29 29 LEU HD23 H 1 0.818 0.030 . 1 . . . . 29 LEU HD2 . 10295 1 205 . 1 1 29 29 LEU HG H 1 1.698 0.030 . 1 . . . . 29 LEU HG . 10295 1 206 . 1 1 29 29 LEU C C 13 179.118 0.300 . 1 . . . . 29 LEU C . 10295 1 207 . 1 1 29 29 LEU CA C 13 58.068 0.300 . 1 . . . . 29 LEU CA . 10295 1 208 . 1 1 29 29 LEU CB C 13 41.582 0.300 . 1 . . . . 29 LEU CB . 10295 1 209 . 1 1 29 29 LEU CD1 C 13 25.126 0.300 . 2 . . . . 29 LEU CD1 . 10295 1 210 . 1 1 29 29 LEU CD2 C 13 23.502 0.300 . 2 . . . . 29 LEU CD2 . 10295 1 211 . 1 1 29 29 LEU CG C 13 26.950 0.300 . 1 . . . . 29 LEU CG . 10295 1 212 . 1 1 29 29 LEU N N 15 118.154 0.300 . 1 . . . . 29 LEU N . 10295 1 213 . 1 1 30 30 MET H H 1 8.282 0.030 . 1 . . . . 30 MET H . 10295 1 214 . 1 1 30 30 MET HA H 1 4.118 0.030 . 1 . . . . 30 MET HA . 10295 1 215 . 1 1 30 30 MET HB2 H 1 2.170 0.030 . 2 . . . . 30 MET HB2 . 10295 1 216 . 1 1 30 30 MET HB3 H 1 2.067 0.030 . 2 . . . . 30 MET HB3 . 10295 1 217 . 1 1 30 30 MET HE1 H 1 2.076 0.030 . 1 . . . . 30 MET HE . 10295 1 218 . 1 1 30 30 MET HE2 H 1 2.076 0.030 . 1 . . . . 30 MET HE . 10295 1 219 . 1 1 30 30 MET HE3 H 1 2.076 0.030 . 1 . . . . 30 MET HE . 10295 1 220 . 1 1 30 30 MET HG2 H 1 2.556 0.030 . 2 . . . . 30 MET HG2 . 10295 1 221 . 1 1 30 30 MET HG3 H 1 2.715 0.030 . 2 . . . . 30 MET HG3 . 10295 1 222 . 1 1 30 30 MET C C 13 179.070 0.300 . 1 . . . . 30 MET C . 10295 1 223 . 1 1 30 30 MET CA C 13 58.583 0.300 . 1 . . . . 30 MET CA . 10295 1 224 . 1 1 30 30 MET CB C 13 32.665 0.300 . 1 . . . . 30 MET CB . 10295 1 225 . 1 1 30 30 MET CE C 13 16.930 0.300 . 1 . . . . 30 MET CE . 10295 1 226 . 1 1 30 30 MET CG C 13 32.012 0.300 . 1 . . . . 30 MET CG . 10295 1 227 . 1 1 30 30 MET N N 15 117.314 0.300 . 1 . . . . 30 MET N . 10295 1 228 . 1 1 31 31 GLY H H 1 7.904 0.030 . 1 . . . . 31 GLY H . 10295 1 229 . 1 1 31 31 GLY HA2 H 1 3.787 0.030 . 2 . . . . 31 GLY HA2 . 10295 1 230 . 1 1 31 31 GLY HA3 H 1 3.631 0.030 . 2 . . . . 31 GLY HA3 . 10295 1 231 . 1 1 31 31 GLY C C 13 176.618 0.300 . 1 . . . . 31 GLY C . 10295 1 232 . 1 1 31 31 GLY CA C 13 47.231 0.300 . 1 . . . . 31 GLY CA . 10295 1 233 . 1 1 31 31 GLY N N 15 107.053 0.300 . 1 . . . . 31 GLY N . 10295 1 234 . 1 1 32 32 LEU H H 1 7.982 0.030 . 1 . . . . 32 LEU H . 10295 1 235 . 1 1 32 32 LEU HA H 1 3.577 0.030 . 1 . . . . 32 LEU HA . 10295 1 236 . 1 1 32 32 LEU HB2 H 1 -1.035 0.030 . 2 . . . . 32 LEU HB2 . 10295 1 237 . 1 1 32 32 LEU HB3 H 1 0.605 0.030 . 2 . . . . 32 LEU HB3 . 10295 1 238 . 1 1 32 32 LEU HD11 H 1 -0.533 0.030 . 1 . . . . 32 LEU HD1 . 10295 1 239 . 1 1 32 32 LEU HD12 H 1 -0.533 0.030 . 1 . . . . 32 LEU HD1 . 10295 1 240 . 1 1 32 32 LEU HD13 H 1 -0.533 0.030 . 1 . . . . 32 LEU HD1 . 10295 1 241 . 1 1 32 32 LEU HD21 H 1 0.434 0.030 . 1 . . . . 32 LEU HD2 . 10295 1 242 . 1 1 32 32 LEU HD22 H 1 0.434 0.030 . 1 . . . . 32 LEU HD2 . 10295 1 243 . 1 1 32 32 LEU HD23 H 1 0.434 0.030 . 1 . . . . 32 LEU HD2 . 10295 1 244 . 1 1 32 32 LEU HG H 1 1.124 0.030 . 1 . . . . 32 LEU HG . 10295 1 245 . 1 1 32 32 LEU C C 13 177.564 0.300 . 1 . . . . 32 LEU C . 10295 1 246 . 1 1 32 32 LEU CA C 13 58.318 0.300 . 1 . . . . 32 LEU CA . 10295 1 247 . 1 1 32 32 LEU CB C 13 38.280 0.300 . 1 . . . . 32 LEU CB . 10295 1 248 . 1 1 32 32 LEU CD1 C 13 23.875 0.300 . 2 . . . . 32 LEU CD1 . 10295 1 249 . 1 1 32 32 LEU CD2 C 13 22.436 0.300 . 2 . . . . 32 LEU CD2 . 10295 1 250 . 1 1 32 32 LEU CG C 13 25.599 0.300 . 1 . . . . 32 LEU CG . 10295 1 251 . 1 1 32 32 LEU N N 15 125.323 0.300 . 1 . . . . 32 LEU N . 10295 1 252 . 1 1 33 33 GLU H H 1 8.054 0.030 . 1 . . . . 33 GLU H . 10295 1 253 . 1 1 33 33 GLU HA H 1 4.283 0.030 . 1 . . . . 33 GLU HA . 10295 1 254 . 1 1 33 33 GLU HB2 H 1 2.051 0.030 . 2 . . . . 33 GLU HB2 . 10295 1 255 . 1 1 33 33 GLU HB3 H 1 2.101 0.030 . 2 . . . . 33 GLU HB3 . 10295 1 256 . 1 1 33 33 GLU HG2 H 1 2.387 0.030 . 2 . . . . 33 GLU HG2 . 10295 1 257 . 1 1 33 33 GLU HG3 H 1 2.519 0.030 . 2 . . . . 33 GLU HG3 . 10295 1 258 . 1 1 33 33 GLU C C 13 180.041 0.300 . 1 . . . . 33 GLU C . 10295 1 259 . 1 1 33 33 GLU CA C 13 59.157 0.300 . 1 . . . . 33 GLU CA . 10295 1 260 . 1 1 33 33 GLU CB C 13 29.155 0.300 . 1 . . . . 33 GLU CB . 10295 1 261 . 1 1 33 33 GLU CG C 13 34.875 0.300 . 1 . . . . 33 GLU CG . 10295 1 262 . 1 1 33 33 GLU N N 15 118.448 0.300 . 1 . . . . 33 GLU N . 10295 1 263 . 1 1 34 34 LYS H H 1 8.229 0.030 . 1 . . . . 34 LYS H . 10295 1 264 . 1 1 34 34 LYS HA H 1 4.099 0.030 . 1 . . . . 34 LYS HA . 10295 1 265 . 1 1 34 34 LYS HB2 H 1 1.934 0.030 . 2 . . . . 34 LYS HB2 . 10295 1 266 . 1 1 34 34 LYS HB3 H 1 1.826 0.030 . 2 . . . . 34 LYS HB3 . 10295 1 267 . 1 1 34 34 LYS HD2 H 1 1.670 0.030 . 2 . . . . 34 LYS HD2 . 10295 1 268 . 1 1 34 34 LYS HE2 H 1 2.973 0.030 . 2 . . . . 34 LYS HE2 . 10295 1 269 . 1 1 34 34 LYS HG2 H 1 1.585 0.030 . 2 . . . . 34 LYS HG2 . 10295 1 270 . 1 1 34 34 LYS HG3 H 1 1.490 0.030 . 2 . . . . 34 LYS HG3 . 10295 1 271 . 1 1 34 34 LYS C C 13 179.822 0.300 . 1 . . . . 34 LYS C . 10295 1 272 . 1 1 34 34 LYS CA C 13 58.789 0.300 . 1 . . . . 34 LYS CA . 10295 1 273 . 1 1 34 34 LYS CB C 13 32.073 0.300 . 1 . . . . 34 LYS CB . 10295 1 274 . 1 1 34 34 LYS CD C 13 28.985 0.300 . 1 . . . . 34 LYS CD . 10295 1 275 . 1 1 34 34 LYS CE C 13 42.083 0.300 . 1 . . . . 34 LYS CE . 10295 1 276 . 1 1 34 34 LYS CG C 13 25.203 0.300 . 1 . . . . 34 LYS CG . 10295 1 277 . 1 1 34 34 LYS N N 15 118.230 0.300 . 1 . . . . 34 LYS N . 10295 1 278 . 1 1 35 35 ARG H H 1 7.560 0.030 . 1 . . . . 35 ARG H . 10295 1 279 . 1 1 35 35 ARG HA H 1 4.190 0.030 . 1 . . . . 35 ARG HA . 10295 1 280 . 1 1 35 35 ARG HB2 H 1 1.855 0.030 . 2 . . . . 35 ARG HB2 . 10295 1 281 . 1 1 35 35 ARG HB3 H 1 2.360 0.030 . 2 . . . . 35 ARG HB3 . 10295 1 282 . 1 1 35 35 ARG HD2 H 1 3.247 0.030 . 2 . . . . 35 ARG HD2 . 10295 1 283 . 1 1 35 35 ARG HD3 H 1 3.454 0.030 . 2 . . . . 35 ARG HD3 . 10295 1 284 . 1 1 35 35 ARG HG2 H 1 1.790 0.030 . 2 . . . . 35 ARG HG2 . 10295 1 285 . 1 1 35 35 ARG HG3 H 1 2.033 0.030 . 2 . . . . 35 ARG HG3 . 10295 1 286 . 1 1 35 35 ARG C C 13 178.001 0.300 . 1 . . . . 35 ARG C . 10295 1 287 . 1 1 35 35 ARG CA C 13 57.095 0.300 . 1 . . . . 35 ARG CA . 10295 1 288 . 1 1 35 35 ARG CB C 13 28.882 0.300 . 1 . . . . 35 ARG CB . 10295 1 289 . 1 1 35 35 ARG CD C 13 42.089 0.300 . 1 . . . . 35 ARG CD . 10295 1 290 . 1 1 35 35 ARG CG C 13 27.249 0.300 . 1 . . . . 35 ARG CG . 10295 1 291 . 1 1 35 35 ARG N N 15 120.162 0.300 . 1 . . . . 35 ARG N . 10295 1 292 . 1 1 36 36 PHE H H 1 8.810 0.030 . 1 . . . . 36 PHE H . 10295 1 293 . 1 1 36 36 PHE HA H 1 4.227 0.030 . 1 . . . . 36 PHE HA . 10295 1 294 . 1 1 36 36 PHE HB2 H 1 3.149 0.030 . 2 . . . . 36 PHE HB2 . 10295 1 295 . 1 1 36 36 PHE HB3 H 1 3.083 0.030 . 2 . . . . 36 PHE HB3 . 10295 1 296 . 1 1 36 36 PHE HD1 H 1 7.300 0.030 . 1 . . . . 36 PHE HD1 . 10295 1 297 . 1 1 36 36 PHE HD2 H 1 7.300 0.030 . 1 . . . . 36 PHE HD2 . 10295 1 298 . 1 1 36 36 PHE HE1 H 1 6.772 0.030 . 1 . . . . 36 PHE HE1 . 10295 1 299 . 1 1 36 36 PHE HE2 H 1 6.772 0.030 . 1 . . . . 36 PHE HE2 . 10295 1 300 . 1 1 36 36 PHE HZ H 1 6.426 0.030 . 1 . . . . 36 PHE HZ . 10295 1 301 . 1 1 36 36 PHE C C 13 176.520 0.300 . 1 . . . . 36 PHE C . 10295 1 302 . 1 1 36 36 PHE CA C 13 60.886 0.300 . 1 . . . . 36 PHE CA . 10295 1 303 . 1 1 36 36 PHE CB C 13 39.333 0.300 . 1 . . . . 36 PHE CB . 10295 1 304 . 1 1 36 36 PHE CD1 C 13 131.903 0.300 . 1 . . . . 36 PHE CD1 . 10295 1 305 . 1 1 36 36 PHE CD2 C 13 131.903 0.300 . 1 . . . . 36 PHE CD2 . 10295 1 306 . 1 1 36 36 PHE CE1 C 13 130.163 0.300 . 1 . . . . 36 PHE CE1 . 10295 1 307 . 1 1 36 36 PHE CE2 C 13 130.163 0.300 . 1 . . . . 36 PHE CE2 . 10295 1 308 . 1 1 36 36 PHE CZ C 13 128.609 0.300 . 1 . . . . 36 PHE CZ . 10295 1 309 . 1 1 36 36 PHE N N 15 122.860 0.300 . 1 . . . . 36 PHE N . 10295 1 310 . 1 1 37 37 GLU H H 1 7.772 0.030 . 1 . . . . 37 GLU H . 10295 1 311 . 1 1 37 37 GLU HA H 1 3.701 0.030 . 1 . . . . 37 GLU HA . 10295 1 312 . 1 1 37 37 GLU HB2 H 1 2.182 0.030 . 2 . . . . 37 GLU HB2 . 10295 1 313 . 1 1 37 37 GLU HB3 H 1 2.064 0.030 . 2 . . . . 37 GLU HB3 . 10295 1 314 . 1 1 37 37 GLU HG2 H 1 2.522 0.030 . 2 . . . . 37 GLU HG2 . 10295 1 315 . 1 1 37 37 GLU HG3 H 1 2.285 0.030 . 2 . . . . 37 GLU HG3 . 10295 1 316 . 1 1 37 37 GLU C C 13 177.297 0.300 . 1 . . . . 37 GLU C . 10295 1 317 . 1 1 37 37 GLU CA C 13 59.036 0.300 . 1 . . . . 37 GLU CA . 10295 1 318 . 1 1 37 37 GLU CB C 13 29.981 0.300 . 1 . . . . 37 GLU CB . 10295 1 319 . 1 1 37 37 GLU CG C 13 36.335 0.300 . 1 . . . . 37 GLU CG . 10295 1 320 . 1 1 37 37 GLU N N 15 116.313 0.300 . 1 . . . . 37 GLU N . 10295 1 321 . 1 1 38 38 LYS H H 1 7.005 0.030 . 1 . . . . 38 LYS H . 10295 1 322 . 1 1 38 38 LYS HA H 1 4.280 0.030 . 1 . . . . 38 LYS HA . 10295 1 323 . 1 1 38 38 LYS HB2 H 1 1.921 0.030 . 1 . . . . 38 LYS HB2 . 10295 1 324 . 1 1 38 38 LYS HB3 H 1 1.921 0.030 . 1 . . . . 38 LYS HB3 . 10295 1 325 . 1 1 38 38 LYS HD2 H 1 1.670 0.030 . 2 . . . . 38 LYS HD2 . 10295 1 326 . 1 1 38 38 LYS HE2 H 1 2.980 0.030 . 2 . . . . 38 LYS HE2 . 10295 1 327 . 1 1 38 38 LYS HG2 H 1 1.559 0.030 . 2 . . . . 38 LYS HG2 . 10295 1 328 . 1 1 38 38 LYS HG3 H 1 1.479 0.030 . 2 . . . . 38 LYS HG3 . 10295 1 329 . 1 1 38 38 LYS C C 13 177.079 0.300 . 1 . . . . 38 LYS C . 10295 1 330 . 1 1 38 38 LYS CA C 13 56.741 0.300 . 1 . . . . 38 LYS CA . 10295 1 331 . 1 1 38 38 LYS CB C 13 34.301 0.300 . 1 . . . . 38 LYS CB . 10295 1 332 . 1 1 38 38 LYS CD C 13 28.985 0.300 . 1 . . . . 38 LYS CD . 10295 1 333 . 1 1 38 38 LYS CE C 13 42.164 0.300 . 1 . . . . 38 LYS CE . 10295 1 334 . 1 1 38 38 LYS CG C 13 24.923 0.300 . 1 . . . . 38 LYS CG . 10295 1 335 . 1 1 38 38 LYS N N 15 114.632 0.300 . 1 . . . . 38 LYS N . 10295 1 336 . 1 1 39 39 GLN H H 1 8.641 0.030 . 1 . . . . 39 GLN H . 10295 1 337 . 1 1 39 39 GLN HA H 1 4.509 0.030 . 1 . . . . 39 GLN HA . 10295 1 338 . 1 1 39 39 GLN HB2 H 1 1.827 0.030 . 2 . . . . 39 GLN HB2 . 10295 1 339 . 1 1 39 39 GLN HB3 H 1 1.962 0.030 . 2 . . . . 39 GLN HB3 . 10295 1 340 . 1 1 39 39 GLN HE21 H 1 7.556 0.030 . 2 . . . . 39 GLN HE21 . 10295 1 341 . 1 1 39 39 GLN HE22 H 1 7.367 0.030 . 2 . . . . 39 GLN HE22 . 10295 1 342 . 1 1 39 39 GLN HG2 H 1 2.285 0.030 . 1 . . . . 39 GLN HG2 . 10295 1 343 . 1 1 39 39 GLN HG3 H 1 2.285 0.030 . 1 . . . . 39 GLN HG3 . 10295 1 344 . 1 1 39 39 GLN C C 13 173.340 0.300 . 1 . . . . 39 GLN C . 10295 1 345 . 1 1 39 39 GLN CA C 13 55.527 0.300 . 1 . . . . 39 GLN CA . 10295 1 346 . 1 1 39 39 GLN CB C 13 31.827 0.300 . 1 . . . . 39 GLN CB . 10295 1 347 . 1 1 39 39 GLN CG C 13 34.260 0.300 . 1 . . . . 39 GLN CG . 10295 1 348 . 1 1 39 39 GLN N N 15 120.830 0.300 . 1 . . . . 39 GLN N . 10295 1 349 . 1 1 39 39 GLN NE2 N 15 113.378 0.300 . 1 . . . . 39 GLN NE2 . 10295 1 350 . 1 1 40 40 LYS H H 1 8.474 0.030 . 1 . . . . 40 LYS H . 10295 1 351 . 1 1 40 40 LYS HA H 1 3.598 0.030 . 1 . . . . 40 LYS HA . 10295 1 352 . 1 1 40 40 LYS HB2 H 1 0.943 0.030 . 2 . . . . 40 LYS HB2 . 10295 1 353 . 1 1 40 40 LYS HB3 H 1 1.526 0.030 . 2 . . . . 40 LYS HB3 . 10295 1 354 . 1 1 40 40 LYS HD2 H 1 -0.372 0.030 . 2 . . . . 40 LYS HD2 . 10295 1 355 . 1 1 40 40 LYS HD3 H 1 -0.149 0.030 . 2 . . . . 40 LYS HD3 . 10295 1 356 . 1 1 40 40 LYS HE2 H 1 1.733 0.030 . 2 . . . . 40 LYS HE2 . 10295 1 357 . 1 1 40 40 LYS HE3 H 1 2.026 0.030 . 2 . . . . 40 LYS HE3 . 10295 1 358 . 1 1 40 40 LYS HG2 H 1 0.462 0.030 . 2 . . . . 40 LYS HG2 . 10295 1 359 . 1 1 40 40 LYS HG3 H 1 0.637 0.030 . 2 . . . . 40 LYS HG3 . 10295 1 360 . 1 1 40 40 LYS C C 13 174.530 0.300 . 1 . . . . 40 LYS C . 10295 1 361 . 1 1 40 40 LYS CA C 13 56.459 0.300 . 1 . . . . 40 LYS CA . 10295 1 362 . 1 1 40 40 LYS CB C 13 32.276 0.300 . 1 . . . . 40 LYS CB . 10295 1 363 . 1 1 40 40 LYS CD C 13 27.108 0.300 . 1 . . . . 40 LYS CD . 10295 1 364 . 1 1 40 40 LYS CE C 13 41.523 0.300 . 1 . . . . 40 LYS CE . 10295 1 365 . 1 1 40 40 LYS CG C 13 23.965 0.300 . 1 . . . . 40 LYS CG . 10295 1 366 . 1 1 40 40 LYS N N 15 125.122 0.300 . 1 . . . . 40 LYS N . 10295 1 367 . 1 1 41 41 TYR H H 1 7.513 0.030 . 1 . . . . 41 TYR H . 10295 1 368 . 1 1 41 41 TYR HA H 1 4.537 0.030 . 1 . . . . 41 TYR HA . 10295 1 369 . 1 1 41 41 TYR HB2 H 1 2.704 0.030 . 2 . . . . 41 TYR HB2 . 10295 1 370 . 1 1 41 41 TYR HB3 H 1 2.936 0.030 . 2 . . . . 41 TYR HB3 . 10295 1 371 . 1 1 41 41 TYR HD1 H 1 7.125 0.030 . 1 . . . . 41 TYR HD1 . 10295 1 372 . 1 1 41 41 TYR HD2 H 1 7.125 0.030 . 1 . . . . 41 TYR HD2 . 10295 1 373 . 1 1 41 41 TYR HE1 H 1 6.871 0.030 . 1 . . . . 41 TYR HE1 . 10295 1 374 . 1 1 41 41 TYR HE2 H 1 6.871 0.030 . 1 . . . . 41 TYR HE2 . 10295 1 375 . 1 1 41 41 TYR C C 13 174.700 0.300 . 1 . . . . 41 TYR C . 10295 1 376 . 1 1 41 41 TYR CA C 13 56.743 0.300 . 1 . . . . 41 TYR CA . 10295 1 377 . 1 1 41 41 TYR CB C 13 41.274 0.300 . 1 . . . . 41 TYR CB . 10295 1 378 . 1 1 41 41 TYR CD1 C 13 133.659 0.300 . 1 . . . . 41 TYR CD1 . 10295 1 379 . 1 1 41 41 TYR CD2 C 13 133.659 0.300 . 1 . . . . 41 TYR CD2 . 10295 1 380 . 1 1 41 41 TYR CE1 C 13 117.896 0.300 . 1 . . . . 41 TYR CE1 . 10295 1 381 . 1 1 41 41 TYR CE2 C 13 117.896 0.300 . 1 . . . . 41 TYR CE2 . 10295 1 382 . 1 1 41 41 TYR N N 15 113.703 0.300 . 1 . . . . 41 TYR N . 10295 1 383 . 1 1 42 42 LEU H H 1 8.544 0.030 . 1 . . . . 42 LEU H . 10295 1 384 . 1 1 42 42 LEU HA H 1 4.610 0.030 . 1 . . . . 42 LEU HA . 10295 1 385 . 1 1 42 42 LEU HB2 H 1 1.248 0.030 . 2 . . . . 42 LEU HB2 . 10295 1 386 . 1 1 42 42 LEU HB3 H 1 1.545 0.030 . 2 . . . . 42 LEU HB3 . 10295 1 387 . 1 1 42 42 LEU HD11 H 1 0.294 0.030 . 1 . . . . 42 LEU HD1 . 10295 1 388 . 1 1 42 42 LEU HD12 H 1 0.294 0.030 . 1 . . . . 42 LEU HD1 . 10295 1 389 . 1 1 42 42 LEU HD13 H 1 0.294 0.030 . 1 . . . . 42 LEU HD1 . 10295 1 390 . 1 1 42 42 LEU HD21 H 1 0.513 0.030 . 1 . . . . 42 LEU HD2 . 10295 1 391 . 1 1 42 42 LEU HD22 H 1 0.513 0.030 . 1 . . . . 42 LEU HD2 . 10295 1 392 . 1 1 42 42 LEU HD23 H 1 0.513 0.030 . 1 . . . . 42 LEU HD2 . 10295 1 393 . 1 1 42 42 LEU HG H 1 0.678 0.030 . 1 . . . . 42 LEU HG . 10295 1 394 . 1 1 42 42 LEU C C 13 177.273 0.300 . 1 . . . . 42 LEU C . 10295 1 395 . 1 1 42 42 LEU CA C 13 53.408 0.300 . 1 . . . . 42 LEU CA . 10295 1 396 . 1 1 42 42 LEU CB C 13 44.040 0.300 . 1 . . . . 42 LEU CB . 10295 1 397 . 1 1 42 42 LEU CD1 C 13 26.897 0.300 . 2 . . . . 42 LEU CD1 . 10295 1 398 . 1 1 42 42 LEU CD2 C 13 22.787 0.300 . 2 . . . . 42 LEU CD2 . 10295 1 399 . 1 1 42 42 LEU CG C 13 26.321 0.300 . 1 . . . . 42 LEU CG . 10295 1 400 . 1 1 42 42 LEU N N 15 123.003 0.300 . 1 . . . . 42 LEU N . 10295 1 401 . 1 1 43 43 SER H H 1 8.651 0.030 . 1 . . . . 43 SER H . 10295 1 402 . 1 1 43 43 SER HA H 1 4.621 0.030 . 1 . . . . 43 SER HA . 10295 1 403 . 1 1 43 43 SER HB2 H 1 4.213 0.030 . 2 . . . . 43 SER HB2 . 10295 1 404 . 1 1 43 43 SER HB3 H 1 4.029 0.030 . 2 . . . . 43 SER HB3 . 10295 1 405 . 1 1 43 43 SER C C 13 174.530 0.300 . 1 . . . . 43 SER C . 10295 1 406 . 1 1 43 43 SER CA C 13 57.053 0.300 . 1 . . . . 43 SER CA . 10295 1 407 . 1 1 43 43 SER CB C 13 64.786 0.300 . 1 . . . . 43 SER CB . 10295 1 408 . 1 1 43 43 SER N N 15 118.850 0.300 . 1 . . . . 43 SER N . 10295 1 409 . 1 1 44 44 THR H H 1 9.159 0.030 . 1 . . . . 44 THR H . 10295 1 410 . 1 1 44 44 THR HA H 1 4.428 0.030 . 1 . . . . 44 THR HA . 10295 1 411 . 1 1 44 44 THR HB H 1 4.044 0.030 . 1 . . . . 44 THR HB . 10295 1 412 . 1 1 44 44 THR HG21 H 1 1.254 0.030 . 1 . . . . 44 THR HG2 . 10295 1 413 . 1 1 44 44 THR HG22 H 1 1.254 0.030 . 1 . . . . 44 THR HG2 . 10295 1 414 . 1 1 44 44 THR HG23 H 1 1.254 0.030 . 1 . . . . 44 THR HG2 . 10295 1 415 . 1 1 44 44 THR C C 13 175.428 0.300 . 1 . . . . 44 THR C . 10295 1 416 . 1 1 44 44 THR CA C 13 66.563 0.300 . 1 . . . . 44 THR CA . 10295 1 417 . 1 1 44 44 THR CB C 13 69.210 0.300 . 1 . . . . 44 THR CB . 10295 1 418 . 1 1 44 44 THR CG2 C 13 22.628 0.300 . 1 . . . . 44 THR CG2 . 10295 1 419 . 1 1 44 44 THR N N 15 117.903 0.300 . 1 . . . . 44 THR N . 10295 1 420 . 1 1 45 45 PRO HA H 1 4.188 0.030 . 1 . . . . 45 PRO HA . 10295 1 421 . 1 1 45 45 PRO HB2 H 1 1.804 0.030 . 2 . . . . 45 PRO HB2 . 10295 1 422 . 1 1 45 45 PRO HB3 H 1 2.296 0.030 . 2 . . . . 45 PRO HB3 . 10295 1 423 . 1 1 45 45 PRO HD2 H 1 3.667 0.030 . 2 . . . . 45 PRO HD2 . 10295 1 424 . 1 1 45 45 PRO HD3 H 1 3.851 0.030 . 2 . . . . 45 PRO HD3 . 10295 1 425 . 1 1 45 45 PRO HG2 H 1 1.936 0.030 . 2 . . . . 45 PRO HG2 . 10295 1 426 . 1 1 45 45 PRO HG3 H 1 2.064 0.030 . 2 . . . . 45 PRO HG3 . 10295 1 427 . 1 1 45 45 PRO C C 13 179.312 0.300 . 1 . . . . 45 PRO C . 10295 1 428 . 1 1 45 45 PRO CA C 13 66.163 0.300 . 1 . . . . 45 PRO CA . 10295 1 429 . 1 1 45 45 PRO CB C 13 30.975 0.300 . 1 . . . . 45 PRO CB . 10295 1 430 . 1 1 45 45 PRO CD C 13 49.530 0.300 . 1 . . . . 45 PRO CD . 10295 1 431 . 1 1 45 45 PRO CG C 13 28.244 0.300 . 1 . . . . 45 PRO CG . 10295 1 432 . 1 1 46 46 ASP H H 1 7.289 0.030 . 1 . . . . 46 ASP H . 10295 1 433 . 1 1 46 46 ASP HA H 1 4.387 0.030 . 1 . . . . 46 ASP HA . 10295 1 434 . 1 1 46 46 ASP HB2 H 1 2.497 0.030 . 2 . . . . 46 ASP HB2 . 10295 1 435 . 1 1 46 46 ASP HB3 H 1 2.877 0.030 . 2 . . . . 46 ASP HB3 . 10295 1 436 . 1 1 46 46 ASP C C 13 178.390 0.300 . 1 . . . . 46 ASP C . 10295 1 437 . 1 1 46 46 ASP CA C 13 56.974 0.300 . 1 . . . . 46 ASP CA . 10295 1 438 . 1 1 46 46 ASP CB C 13 41.498 0.300 . 1 . . . . 46 ASP CB . 10295 1 439 . 1 1 46 46 ASP N N 15 117.060 0.300 . 1 . . . . 46 ASP N . 10295 1 440 . 1 1 47 47 ARG H H 1 8.493 0.030 . 1 . . . . 47 ARG H . 10295 1 441 . 1 1 47 47 ARG HA H 1 3.754 0.030 . 1 . . . . 47 ARG HA . 10295 1 442 . 1 1 47 47 ARG HB2 H 1 1.872 0.030 . 2 . . . . 47 ARG HB2 . 10295 1 443 . 1 1 47 47 ARG HB3 H 1 2.017 0.030 . 2 . . . . 47 ARG HB3 . 10295 1 444 . 1 1 47 47 ARG HD2 H 1 3.497 0.030 . 2 . . . . 47 ARG HD2 . 10295 1 445 . 1 1 47 47 ARG HD3 H 1 3.341 0.030 . 2 . . . . 47 ARG HD3 . 10295 1 446 . 1 1 47 47 ARG HG2 H 1 1.590 0.030 . 2 . . . . 47 ARG HG2 . 10295 1 447 . 1 1 47 47 ARG HG3 H 1 1.419 0.030 . 2 . . . . 47 ARG HG3 . 10295 1 448 . 1 1 47 47 ARG C C 13 177.880 0.300 . 1 . . . . 47 ARG C . 10295 1 449 . 1 1 47 47 ARG CA C 13 60.123 0.300 . 1 . . . . 47 ARG CA . 10295 1 450 . 1 1 47 47 ARG CB C 13 30.355 0.300 . 1 . . . . 47 ARG CB . 10295 1 451 . 1 1 47 47 ARG CD C 13 43.759 0.300 . 1 . . . . 47 ARG CD . 10295 1 452 . 1 1 47 47 ARG CG C 13 28.534 0.300 . 1 . . . . 47 ARG CG . 10295 1 453 . 1 1 47 47 ARG N N 15 122.143 0.300 . 1 . . . . 47 ARG N . 10295 1 454 . 1 1 48 48 ILE H H 1 8.219 0.030 . 1 . . . . 48 ILE H . 10295 1 455 . 1 1 48 48 ILE HA H 1 3.475 0.030 . 1 . . . . 48 ILE HA . 10295 1 456 . 1 1 48 48 ILE HB H 1 1.814 0.030 . 1 . . . . 48 ILE HB . 10295 1 457 . 1 1 48 48 ILE HD11 H 1 0.813 0.030 . 1 . . . . 48 ILE HD1 . 10295 1 458 . 1 1 48 48 ILE HD12 H 1 0.813 0.030 . 1 . . . . 48 ILE HD1 . 10295 1 459 . 1 1 48 48 ILE HD13 H 1 0.813 0.030 . 1 . . . . 48 ILE HD1 . 10295 1 460 . 1 1 48 48 ILE HG12 H 1 0.959 0.030 . 2 . . . . 48 ILE HG12 . 10295 1 461 . 1 1 48 48 ILE HG13 H 1 1.734 0.030 . 2 . . . . 48 ILE HG13 . 10295 1 462 . 1 1 48 48 ILE HG21 H 1 0.925 0.030 . 1 . . . . 48 ILE HG2 . 10295 1 463 . 1 1 48 48 ILE HG22 H 1 0.925 0.030 . 1 . . . . 48 ILE HG2 . 10295 1 464 . 1 1 48 48 ILE HG23 H 1 0.925 0.030 . 1 . . . . 48 ILE HG2 . 10295 1 465 . 1 1 48 48 ILE C C 13 178.026 0.300 . 1 . . . . 48 ILE C . 10295 1 466 . 1 1 48 48 ILE CA C 13 66.105 0.300 . 1 . . . . 48 ILE CA . 10295 1 467 . 1 1 48 48 ILE CB C 13 38.440 0.300 . 1 . . . . 48 ILE CB . 10295 1 468 . 1 1 48 48 ILE CD1 C 13 13.950 0.300 . 1 . . . . 48 ILE CD1 . 10295 1 469 . 1 1 48 48 ILE CG1 C 13 29.433 0.300 . 1 . . . . 48 ILE CG1 . 10295 1 470 . 1 1 48 48 ILE CG2 C 13 16.801 0.300 . 1 . . . . 48 ILE CG2 . 10295 1 471 . 1 1 48 48 ILE N N 15 119.888 0.300 . 1 . . . . 48 ILE N . 10295 1 472 . 1 1 49 49 ASP H H 1 7.775 0.030 . 1 . . . . 49 ASP H . 10295 1 473 . 1 1 49 49 ASP HA H 1 4.406 0.030 . 1 . . . . 49 ASP HA . 10295 1 474 . 1 1 49 49 ASP HB2 H 1 2.764 0.030 . 2 . . . . 49 ASP HB2 . 10295 1 475 . 1 1 49 49 ASP HB3 H 1 2.724 0.030 . 2 . . . . 49 ASP HB3 . 10295 1 476 . 1 1 49 49 ASP C C 13 178.900 0.300 . 1 . . . . 49 ASP C . 10295 1 477 . 1 1 49 49 ASP CA C 13 57.380 0.300 . 1 . . . . 49 ASP CA . 10295 1 478 . 1 1 49 49 ASP CB C 13 41.523 0.300 . 1 . . . . 49 ASP CB . 10295 1 479 . 1 1 49 49 ASP N N 15 119.245 0.300 . 1 . . . . 49 ASP N . 10295 1 480 . 1 1 50 50 LEU H H 1 8.344 0.030 . 1 . . . . 50 LEU H . 10295 1 481 . 1 1 50 50 LEU HA H 1 4.090 0.030 . 1 . . . . 50 LEU HA . 10295 1 482 . 1 1 50 50 LEU HB2 H 1 1.535 0.030 . 2 . . . . 50 LEU HB2 . 10295 1 483 . 1 1 50 50 LEU HB3 H 1 1.769 0.030 . 2 . . . . 50 LEU HB3 . 10295 1 484 . 1 1 50 50 LEU HD11 H 1 0.870 0.030 . 1 . . . . 50 LEU HD1 . 10295 1 485 . 1 1 50 50 LEU HD12 H 1 0.870 0.030 . 1 . . . . 50 LEU HD1 . 10295 1 486 . 1 1 50 50 LEU HD13 H 1 0.870 0.030 . 1 . . . . 50 LEU HD1 . 10295 1 487 . 1 1 50 50 LEU HD21 H 1 0.920 0.030 . 1 . . . . 50 LEU HD2 . 10295 1 488 . 1 1 50 50 LEU HD22 H 1 0.920 0.030 . 1 . . . . 50 LEU HD2 . 10295 1 489 . 1 1 50 50 LEU HD23 H 1 0.920 0.030 . 1 . . . . 50 LEU HD2 . 10295 1 490 . 1 1 50 50 LEU HG H 1 1.429 0.030 . 1 . . . . 50 LEU HG . 10295 1 491 . 1 1 50 50 LEU C C 13 178.705 0.300 . 1 . . . . 50 LEU C . 10295 1 492 . 1 1 50 50 LEU CA C 13 57.651 0.300 . 1 . . . . 50 LEU CA . 10295 1 493 . 1 1 50 50 LEU CB C 13 42.526 0.300 . 1 . . . . 50 LEU CB . 10295 1 494 . 1 1 50 50 LEU CD1 C 13 23.703 0.300 . 2 . . . . 50 LEU CD1 . 10295 1 495 . 1 1 50 50 LEU CD2 C 13 27.291 0.300 . 2 . . . . 50 LEU CD2 . 10295 1 496 . 1 1 50 50 LEU CG C 13 26.886 0.300 . 1 . . . . 50 LEU CG . 10295 1 497 . 1 1 50 50 LEU N N 15 121.649 0.300 . 1 . . . . 50 LEU N . 10295 1 498 . 1 1 51 51 ALA H H 1 8.513 0.030 . 1 . . . . 51 ALA H . 10295 1 499 . 1 1 51 51 ALA HA H 1 3.611 0.030 . 1 . . . . 51 ALA HA . 10295 1 500 . 1 1 51 51 ALA HB1 H 1 1.383 0.030 . 1 . . . . 51 ALA HB . 10295 1 501 . 1 1 51 51 ALA HB2 H 1 1.383 0.030 . 1 . . . . 51 ALA HB . 10295 1 502 . 1 1 51 51 ALA HB3 H 1 1.383 0.030 . 1 . . . . 51 ALA HB . 10295 1 503 . 1 1 51 51 ALA C C 13 179.749 0.300 . 1 . . . . 51 ALA C . 10295 1 504 . 1 1 51 51 ALA CA C 13 56.139 0.300 . 1 . . . . 51 ALA CA . 10295 1 505 . 1 1 51 51 ALA CB C 13 17.519 0.300 . 1 . . . . 51 ALA CB . 10295 1 506 . 1 1 51 51 ALA N N 15 120.902 0.300 . 1 . . . . 51 ALA N . 10295 1 507 . 1 1 52 52 GLU H H 1 8.285 0.030 . 1 . . . . 52 GLU H . 10295 1 508 . 1 1 52 52 GLU HA H 1 4.097 0.030 . 1 . . . . 52 GLU HA . 10295 1 509 . 1 1 52 52 GLU HB2 H 1 2.106 0.030 . 2 . . . . 52 GLU HB2 . 10295 1 510 . 1 1 52 52 GLU HB3 H 1 2.199 0.030 . 2 . . . . 52 GLU HB3 . 10295 1 511 . 1 1 52 52 GLU HG2 H 1 2.460 0.030 . 2 . . . . 52 GLU HG2 . 10295 1 512 . 1 1 52 52 GLU HG3 H 1 2.314 0.030 . 2 . . . . 52 GLU HG3 . 10295 1 513 . 1 1 52 52 GLU C C 13 180.114 0.300 . 1 . . . . 52 GLU C . 10295 1 514 . 1 1 52 52 GLU CA C 13 59.307 0.300 . 1 . . . . 52 GLU CA . 10295 1 515 . 1 1 52 52 GLU CB C 13 29.408 0.300 . 1 . . . . 52 GLU CB . 10295 1 516 . 1 1 52 52 GLU CG C 13 36.442 0.300 . 1 . . . . 52 GLU CG . 10295 1 517 . 1 1 52 52 GLU N N 15 116.933 0.300 . 1 . . . . 52 GLU N . 10295 1 518 . 1 1 53 53 SER H H 1 8.229 0.030 . 1 . . . . 53 SER H . 10295 1 519 . 1 1 53 53 SER HA H 1 4.251 0.030 . 1 . . . . 53 SER HA . 10295 1 520 . 1 1 53 53 SER HB2 H 1 4.007 0.030 . 1 . . . . 53 SER HB2 . 10295 1 521 . 1 1 53 53 SER HB3 H 1 4.007 0.030 . 1 . . . . 53 SER HB3 . 10295 1 522 . 1 1 53 53 SER C C 13 176.059 0.300 . 1 . . . . 53 SER C . 10295 1 523 . 1 1 53 53 SER CA C 13 61.347 0.300 . 1 . . . . 53 SER CA . 10295 1 524 . 1 1 53 53 SER CB C 13 63.235 0.300 . 1 . . . . 53 SER CB . 10295 1 525 . 1 1 53 53 SER N N 15 114.615 0.300 . 1 . . . . 53 SER N . 10295 1 526 . 1 1 54 54 LEU H H 1 7.675 0.030 . 1 . . . . 54 LEU H . 10295 1 527 . 1 1 54 54 LEU HA H 1 4.513 0.030 . 1 . . . . 54 LEU HA . 10295 1 528 . 1 1 54 54 LEU HB2 H 1 1.397 0.030 . 2 . . . . 54 LEU HB2 . 10295 1 529 . 1 1 54 54 LEU HB3 H 1 1.597 0.030 . 2 . . . . 54 LEU HB3 . 10295 1 530 . 1 1 54 54 LEU HD11 H 1 0.675 0.030 . 1 . . . . 54 LEU HD1 . 10295 1 531 . 1 1 54 54 LEU HD12 H 1 0.675 0.030 . 1 . . . . 54 LEU HD1 . 10295 1 532 . 1 1 54 54 LEU HD13 H 1 0.675 0.030 . 1 . . . . 54 LEU HD1 . 10295 1 533 . 1 1 54 54 LEU HD21 H 1 0.810 0.030 . 1 . . . . 54 LEU HD2 . 10295 1 534 . 1 1 54 54 LEU HD22 H 1 0.810 0.030 . 1 . . . . 54 LEU HD2 . 10295 1 535 . 1 1 54 54 LEU HD23 H 1 0.810 0.030 . 1 . . . . 54 LEU HD2 . 10295 1 536 . 1 1 54 54 LEU HG H 1 1.874 0.030 . 1 . . . . 54 LEU HG . 10295 1 537 . 1 1 54 54 LEU C C 13 177.516 0.300 . 1 . . . . 54 LEU C . 10295 1 538 . 1 1 54 54 LEU CA C 13 54.422 0.300 . 1 . . . . 54 LEU CA . 10295 1 539 . 1 1 54 54 LEU CB C 13 43.880 0.300 . 1 . . . . 54 LEU CB . 10295 1 540 . 1 1 54 54 LEU CD1 C 13 26.708 0.300 . 2 . . . . 54 LEU CD1 . 10295 1 541 . 1 1 54 54 LEU CD2 C 13 22.588 0.300 . 2 . . . . 54 LEU CD2 . 10295 1 542 . 1 1 54 54 LEU CG C 13 26.170 0.300 . 1 . . . . 54 LEU CG . 10295 1 543 . 1 1 54 54 LEU N N 15 117.401 0.300 . 1 . . . . 54 LEU N . 10295 1 544 . 1 1 55 55 GLY H H 1 7.941 0.030 . 1 . . . . 55 GLY H . 10295 1 545 . 1 1 55 55 GLY HA2 H 1 3.982 0.030 . 2 . . . . 55 GLY HA2 . 10295 1 546 . 1 1 55 55 GLY HA3 H 1 4.026 0.030 . 2 . . . . 55 GLY HA3 . 10295 1 547 . 1 1 55 55 GLY C C 13 174.360 0.300 . 1 . . . . 55 GLY C . 10295 1 548 . 1 1 55 55 GLY CA C 13 46.728 0.300 . 1 . . . . 55 GLY CA . 10295 1 549 . 1 1 55 55 GLY N N 15 111.061 0.300 . 1 . . . . 55 GLY N . 10295 1 550 . 1 1 56 56 LEU H H 1 8.190 0.030 . 1 . . . . 56 LEU H . 10295 1 551 . 1 1 56 56 LEU HA H 1 4.803 0.030 . 1 . . . . 56 LEU HA . 10295 1 552 . 1 1 56 56 LEU HB2 H 1 1.278 0.030 . 2 . . . . 56 LEU HB2 . 10295 1 553 . 1 1 56 56 LEU HB3 H 1 1.643 0.030 . 2 . . . . 56 LEU HB3 . 10295 1 554 . 1 1 56 56 LEU HD11 H 1 0.538 0.030 . 1 . . . . 56 LEU HD1 . 10295 1 555 . 1 1 56 56 LEU HD12 H 1 0.538 0.030 . 1 . . . . 56 LEU HD1 . 10295 1 556 . 1 1 56 56 LEU HD13 H 1 0.538 0.030 . 1 . . . . 56 LEU HD1 . 10295 1 557 . 1 1 56 56 LEU HD21 H 1 0.656 0.030 . 1 . . . . 56 LEU HD2 . 10295 1 558 . 1 1 56 56 LEU HD22 H 1 0.656 0.030 . 1 . . . . 56 LEU HD2 . 10295 1 559 . 1 1 56 56 LEU HD23 H 1 0.656 0.030 . 1 . . . . 56 LEU HD2 . 10295 1 560 . 1 1 56 56 LEU HG H 1 1.340 0.030 . 1 . . . . 56 LEU HG . 10295 1 561 . 1 1 56 56 LEU C C 13 175.914 0.300 . 1 . . . . 56 LEU C . 10295 1 562 . 1 1 56 56 LEU CA C 13 52.510 0.300 . 1 . . . . 56 LEU CA . 10295 1 563 . 1 1 56 56 LEU CB C 13 47.484 0.300 . 1 . . . . 56 LEU CB . 10295 1 564 . 1 1 56 56 LEU CD1 C 13 27.561 0.300 . 2 . . . . 56 LEU CD1 . 10295 1 565 . 1 1 56 56 LEU CD2 C 13 23.805 0.300 . 2 . . . . 56 LEU CD2 . 10295 1 566 . 1 1 56 56 LEU CG C 13 26.700 0.300 . 1 . . . . 56 LEU CG . 10295 1 567 . 1 1 56 56 LEU N N 15 119.967 0.300 . 1 . . . . 56 LEU N . 10295 1 568 . 1 1 57 57 SER H H 1 9.037 0.030 . 1 . . . . 57 SER H . 10295 1 569 . 1 1 57 57 SER HA H 1 4.423 0.030 . 1 . . . . 57 SER HA . 10295 1 570 . 1 1 57 57 SER HB2 H 1 3.962 0.030 . 2 . . . . 57 SER HB2 . 10295 1 571 . 1 1 57 57 SER HB3 H 1 4.440 0.030 . 2 . . . . 57 SER HB3 . 10295 1 572 . 1 1 57 57 SER C C 13 176.618 0.300 . 1 . . . . 57 SER C . 10295 1 573 . 1 1 57 57 SER CA C 13 56.189 0.300 . 1 . . . . 57 SER CA . 10295 1 574 . 1 1 57 57 SER CB C 13 65.579 0.300 . 1 . . . . 57 SER CB . 10295 1 575 . 1 1 57 57 SER N N 15 115.098 0.300 . 1 . . . . 57 SER N . 10295 1 576 . 1 1 58 58 GLN HA H 1 3.741 0.030 . 1 . . . . 58 GLN HA . 10295 1 577 . 1 1 58 58 GLN HB2 H 1 2.090 0.030 . 1 . . . . 58 GLN HB2 . 10295 1 578 . 1 1 58 58 GLN HB3 H 1 2.090 0.030 . 1 . . . . 58 GLN HB3 . 10295 1 579 . 1 1 58 58 GLN HE21 H 1 7.019 0.030 . 2 . . . . 58 GLN HE21 . 10295 1 580 . 1 1 58 58 GLN HE22 H 1 7.768 0.030 . 2 . . . . 58 GLN HE22 . 10295 1 581 . 1 1 58 58 GLN HG2 H 1 2.559 0.030 . 2 . . . . 58 GLN HG2 . 10295 1 582 . 1 1 58 58 GLN HG3 H 1 2.110 0.030 . 2 . . . . 58 GLN HG3 . 10295 1 583 . 1 1 58 58 GLN C C 13 177.904 0.300 . 1 . . . . 58 GLN C . 10295 1 584 . 1 1 58 58 GLN CA C 13 60.504 0.300 . 1 . . . . 58 GLN CA . 10295 1 585 . 1 1 58 58 GLN CB C 13 28.365 0.300 . 1 . . . . 58 GLN CB . 10295 1 586 . 1 1 58 58 GLN CG C 13 34.864 0.300 . 1 . . . . 58 GLN CG . 10295 1 587 . 1 1 58 58 GLN NE2 N 15 113.021 0.300 . 1 . . . . 58 GLN NE2 . 10295 1 588 . 1 1 59 59 LEU H H 1 8.207 0.030 . 1 . . . . 59 LEU H . 10295 1 589 . 1 1 59 59 LEU HA H 1 4.192 0.030 . 1 . . . . 59 LEU HA . 10295 1 590 . 1 1 59 59 LEU HB2 H 1 1.692 0.030 . 1 . . . . 59 LEU HB2 . 10295 1 591 . 1 1 59 59 LEU HB3 H 1 1.692 0.030 . 1 . . . . 59 LEU HB3 . 10295 1 592 . 1 1 59 59 LEU HD11 H 1 0.968 0.030 . 1 . . . . 59 LEU HD1 . 10295 1 593 . 1 1 59 59 LEU HD12 H 1 0.968 0.030 . 1 . . . . 59 LEU HD1 . 10295 1 594 . 1 1 59 59 LEU HD13 H 1 0.968 0.030 . 1 . . . . 59 LEU HD1 . 10295 1 595 . 1 1 59 59 LEU HD21 H 1 0.929 0.030 . 1 . . . . 59 LEU HD2 . 10295 1 596 . 1 1 59 59 LEU HD22 H 1 0.929 0.030 . 1 . . . . 59 LEU HD2 . 10295 1 597 . 1 1 59 59 LEU HD23 H 1 0.929 0.030 . 1 . . . . 59 LEU HD2 . 10295 1 598 . 1 1 59 59 LEU HG H 1 1.643 0.030 . 1 . . . . 59 LEU HG . 10295 1 599 . 1 1 59 59 LEU C C 13 179.871 0.300 . 1 . . . . 59 LEU C . 10295 1 600 . 1 1 59 59 LEU CA C 13 57.878 0.300 . 1 . . . . 59 LEU CA . 10295 1 601 . 1 1 59 59 LEU CB C 13 41.747 0.300 . 1 . . . . 59 LEU CB . 10295 1 602 . 1 1 59 59 LEU CD1 C 13 23.615 0.300 . 2 . . . . 59 LEU CD1 . 10295 1 603 . 1 1 59 59 LEU CD2 C 13 24.938 0.300 . 2 . . . . 59 LEU CD2 . 10295 1 604 . 1 1 59 59 LEU CG C 13 27.184 0.300 . 1 . . . . 59 LEU CG . 10295 1 605 . 1 1 59 59 LEU N N 15 120.246 0.300 . 1 . . . . 59 LEU N . 10295 1 606 . 1 1 60 60 GLN H H 1 8.125 0.030 . 1 . . . . 60 GLN H . 10295 1 607 . 1 1 60 60 GLN HA H 1 4.214 0.030 . 1 . . . . 60 GLN HA . 10295 1 608 . 1 1 60 60 GLN HB2 H 1 1.994 0.030 . 2 . . . . 60 GLN HB2 . 10295 1 609 . 1 1 60 60 GLN HB3 H 1 2.649 0.030 . 2 . . . . 60 GLN HB3 . 10295 1 610 . 1 1 60 60 GLN HE21 H 1 7.263 0.030 . 2 . . . . 60 GLN HE21 . 10295 1 611 . 1 1 60 60 GLN HE22 H 1 6.890 0.030 . 2 . . . . 60 GLN HE22 . 10295 1 612 . 1 1 60 60 GLN HG2 H 1 2.490 0.030 . 2 . . . . 60 GLN HG2 . 10295 1 613 . 1 1 60 60 GLN HG3 H 1 2.534 0.030 . 2 . . . . 60 GLN HG3 . 10295 1 614 . 1 1 60 60 GLN C C 13 179.434 0.300 . 1 . . . . 60 GLN C . 10295 1 615 . 1 1 60 60 GLN CA C 13 59.530 0.300 . 1 . . . . 60 GLN CA . 10295 1 616 . 1 1 60 60 GLN CB C 13 29.651 0.300 . 1 . . . . 60 GLN CB . 10295 1 617 . 1 1 60 60 GLN CG C 13 35.515 0.300 . 1 . . . . 60 GLN CG . 10295 1 618 . 1 1 60 60 GLN N N 15 120.637 0.300 . 1 . . . . 60 GLN N . 10295 1 619 . 1 1 60 60 GLN NE2 N 15 112.368 0.300 . 1 . . . . 60 GLN NE2 . 10295 1 620 . 1 1 61 61 VAL H H 1 7.717 0.030 . 1 . . . . 61 VAL H . 10295 1 621 . 1 1 61 61 VAL HA H 1 3.673 0.030 . 1 . . . . 61 VAL HA . 10295 1 622 . 1 1 61 61 VAL HB H 1 2.160 0.030 . 1 . . . . 61 VAL HB . 10295 1 623 . 1 1 61 61 VAL HG11 H 1 0.987 0.030 . 1 . . . . 61 VAL HG1 . 10295 1 624 . 1 1 61 61 VAL HG12 H 1 0.987 0.030 . 1 . . . . 61 VAL HG1 . 10295 1 625 . 1 1 61 61 VAL HG13 H 1 0.987 0.030 . 1 . . . . 61 VAL HG1 . 10295 1 626 . 1 1 61 61 VAL HG21 H 1 0.961 0.030 . 1 . . . . 61 VAL HG2 . 10295 1 627 . 1 1 61 61 VAL HG22 H 1 0.961 0.030 . 1 . . . . 61 VAL HG2 . 10295 1 628 . 1 1 61 61 VAL HG23 H 1 0.961 0.030 . 1 . . . . 61 VAL HG2 . 10295 1 629 . 1 1 61 61 VAL C C 13 176.982 0.300 . 1 . . . . 61 VAL C . 10295 1 630 . 1 1 61 61 VAL CA C 13 67.670 0.300 . 1 . . . . 61 VAL CA . 10295 1 631 . 1 1 61 61 VAL CB C 13 31.899 0.300 . 1 . . . . 61 VAL CB . 10295 1 632 . 1 1 61 61 VAL CG1 C 13 23.584 0.300 . 2 . . . . 61 VAL CG1 . 10295 1 633 . 1 1 61 61 VAL CG2 C 13 23.771 0.300 . 2 . . . . 61 VAL CG2 . 10295 1 634 . 1 1 61 61 VAL N N 15 118.389 0.300 . 1 . . . . 61 VAL N . 10295 1 635 . 1 1 62 62 LYS H H 1 8.578 0.030 . 1 . . . . 62 LYS H . 10295 1 636 . 1 1 62 62 LYS HA H 1 4.423 0.030 . 1 . . . . 62 LYS HA . 10295 1 637 . 1 1 62 62 LYS HB2 H 1 1.879 0.030 . 2 . . . . 62 LYS HB2 . 10295 1 638 . 1 1 62 62 LYS HB3 H 1 2.099 0.030 . 2 . . . . 62 LYS HB3 . 10295 1 639 . 1 1 62 62 LYS HD2 H 1 1.668 0.030 . 1 . . . . 62 LYS HD2 . 10295 1 640 . 1 1 62 62 LYS HD3 H 1 1.668 0.030 . 1 . . . . 62 LYS HD3 . 10295 1 641 . 1 1 62 62 LYS HE2 H 1 2.973 0.030 . 2 . . . . 62 LYS HE2 . 10295 1 642 . 1 1 62 62 LYS HG2 H 1 1.593 0.030 . 2 . . . . 62 LYS HG2 . 10295 1 643 . 1 1 62 62 LYS HG3 H 1 1.453 0.030 . 2 . . . . 62 LYS HG3 . 10295 1 644 . 1 1 62 62 LYS C C 13 179.749 0.300 . 1 . . . . 62 LYS C . 10295 1 645 . 1 1 62 62 LYS CA C 13 59.821 0.300 . 1 . . . . 62 LYS CA . 10295 1 646 . 1 1 62 62 LYS CB C 13 33.793 0.300 . 1 . . . . 62 LYS CB . 10295 1 647 . 1 1 62 62 LYS CD C 13 30.125 0.300 . 1 . . . . 62 LYS CD . 10295 1 648 . 1 1 62 62 LYS CE C 13 42.164 0.300 . 1 . . . . 62 LYS CE . 10295 1 649 . 1 1 62 62 LYS CG C 13 25.071 0.300 . 1 . . . . 62 LYS CG . 10295 1 650 . 1 1 62 62 LYS N N 15 120.540 0.300 . 1 . . . . 62 LYS N . 10295 1 651 . 1 1 63 63 THR H H 1 8.722 0.030 . 1 . . . . 63 THR H . 10295 1 652 . 1 1 63 63 THR HA H 1 4.007 0.030 . 1 . . . . 63 THR HA . 10295 1 653 . 1 1 63 63 THR HB H 1 4.401 0.030 . 1 . . . . 63 THR HB . 10295 1 654 . 1 1 63 63 THR HG21 H 1 1.338 0.030 . 1 . . . . 63 THR HG2 . 10295 1 655 . 1 1 63 63 THR HG22 H 1 1.338 0.030 . 1 . . . . 63 THR HG2 . 10295 1 656 . 1 1 63 63 THR HG23 H 1 1.338 0.030 . 1 . . . . 63 THR HG2 . 10295 1 657 . 1 1 63 63 THR C C 13 176.059 0.300 . 1 . . . . 63 THR C . 10295 1 658 . 1 1 63 63 THR CA C 13 66.527 0.300 . 1 . . . . 63 THR CA . 10295 1 659 . 1 1 63 63 THR CB C 13 69.236 0.300 . 1 . . . . 63 THR CB . 10295 1 660 . 1 1 63 63 THR CG2 C 13 21.533 0.300 . 1 . . . . 63 THR CG2 . 10295 1 661 . 1 1 63 63 THR N N 15 115.962 0.300 . 1 . . . . 63 THR N . 10295 1 662 . 1 1 64 64 TRP H H 1 8.506 0.030 . 1 . . . . 64 TRP H . 10295 1 663 . 1 1 64 64 TRP HA H 1 4.064 0.030 . 1 . . . . 64 TRP HA . 10295 1 664 . 1 1 64 64 TRP HB2 H 1 3.482 0.030 . 2 . . . . 64 TRP HB2 . 10295 1 665 . 1 1 64 64 TRP HB3 H 1 3.393 0.030 . 2 . . . . 64 TRP HB3 . 10295 1 666 . 1 1 64 64 TRP HD1 H 1 6.847 0.030 . 1 . . . . 64 TRP HD1 . 10295 1 667 . 1 1 64 64 TRP HE1 H 1 9.517 0.030 . 1 . . . . 64 TRP HE1 . 10295 1 668 . 1 1 64 64 TRP HE3 H 1 7.204 0.030 . 1 . . . . 64 TRP HE3 . 10295 1 669 . 1 1 64 64 TRP HH2 H 1 6.426 0.030 . 1 . . . . 64 TRP HH2 . 10295 1 670 . 1 1 64 64 TRP HZ2 H 1 7.265 0.030 . 1 . . . . 64 TRP HZ2 . 10295 1 671 . 1 1 64 64 TRP HZ3 H 1 5.986 0.030 . 1 . . . . 64 TRP HZ3 . 10295 1 672 . 1 1 64 64 TRP C C 13 179.264 0.300 . 1 . . . . 64 TRP C . 10295 1 673 . 1 1 64 64 TRP CA C 13 63.070 0.300 . 1 . . . . 64 TRP CA . 10295 1 674 . 1 1 64 64 TRP CB C 13 29.048 0.300 . 1 . . . . 64 TRP CB . 10295 1 675 . 1 1 64 64 TRP CD1 C 13 127.179 0.300 . 1 . . . . 64 TRP CD1 . 10295 1 676 . 1 1 64 64 TRP CE3 C 13 121.021 0.300 . 1 . . . . 64 TRP CE3 . 10295 1 677 . 1 1 64 64 TRP CH2 C 13 123.947 0.300 . 1 . . . . 64 TRP CH2 . 10295 1 678 . 1 1 64 64 TRP CZ2 C 13 114.250 0.300 . 1 . . . . 64 TRP CZ2 . 10295 1 679 . 1 1 64 64 TRP CZ3 C 13 121.100 0.300 . 1 . . . . 64 TRP CZ3 . 10295 1 680 . 1 1 64 64 TRP N N 15 123.609 0.300 . 1 . . . . 64 TRP N . 10295 1 681 . 1 1 64 64 TRP NE1 N 15 128.709 0.300 . 1 . . . . 64 TRP NE1 . 10295 1 682 . 1 1 65 65 TYR H H 1 9.152 0.030 . 1 . . . . 65 TYR H . 10295 1 683 . 1 1 65 65 TYR HA H 1 3.660 0.030 . 1 . . . . 65 TYR HA . 10295 1 684 . 1 1 65 65 TYR HB2 H 1 3.654 0.030 . 2 . . . . 65 TYR HB2 . 10295 1 685 . 1 1 65 65 TYR HB3 H 1 3.095 0.030 . 2 . . . . 65 TYR HB3 . 10295 1 686 . 1 1 65 65 TYR HD1 H 1 6.768 0.030 . 1 . . . . 65 TYR HD1 . 10295 1 687 . 1 1 65 65 TYR HD2 H 1 6.768 0.030 . 1 . . . . 65 TYR HD2 . 10295 1 688 . 1 1 65 65 TYR HE1 H 1 6.776 0.030 . 1 . . . . 65 TYR HE1 . 10295 1 689 . 1 1 65 65 TYR HE2 H 1 6.776 0.030 . 1 . . . . 65 TYR HE2 . 10295 1 690 . 1 1 65 65 TYR C C 13 178.535 0.300 . 1 . . . . 65 TYR C . 10295 1 691 . 1 1 65 65 TYR CA C 13 63.749 0.300 . 1 . . . . 65 TYR CA . 10295 1 692 . 1 1 65 65 TYR CB C 13 39.082 0.300 . 1 . . . . 65 TYR CB . 10295 1 693 . 1 1 65 65 TYR CD1 C 13 132.587 0.300 . 1 . . . . 65 TYR CD1 . 10295 1 694 . 1 1 65 65 TYR CD2 C 13 132.587 0.300 . 1 . . . . 65 TYR CD2 . 10295 1 695 . 1 1 65 65 TYR CE1 C 13 118.477 0.300 . 1 . . . . 65 TYR CE1 . 10295 1 696 . 1 1 65 65 TYR CE2 C 13 118.477 0.300 . 1 . . . . 65 TYR CE2 . 10295 1 697 . 1 1 65 65 TYR N N 15 121.400 0.300 . 1 . . . . 65 TYR N . 10295 1 698 . 1 1 66 66 GLN H H 1 7.981 0.030 . 1 . . . . 66 GLN H . 10295 1 699 . 1 1 66 66 GLN HA H 1 4.036 0.030 . 1 . . . . 66 GLN HA . 10295 1 700 . 1 1 66 66 GLN HB2 H 1 2.310 0.030 . 2 . . . . 66 GLN HB2 . 10295 1 701 . 1 1 66 66 GLN HB3 H 1 2.159 0.030 . 2 . . . . 66 GLN HB3 . 10295 1 702 . 1 1 66 66 GLN HE21 H 1 7.551 0.030 . 2 . . . . 66 GLN HE21 . 10295 1 703 . 1 1 66 66 GLN HE22 H 1 6.976 0.030 . 2 . . . . 66 GLN HE22 . 10295 1 704 . 1 1 66 66 GLN HG2 H 1 2.562 0.030 . 2 . . . . 66 GLN HG2 . 10295 1 705 . 1 1 66 66 GLN HG3 H 1 2.513 0.030 . 2 . . . . 66 GLN HG3 . 10295 1 706 . 1 1 66 66 GLN C C 13 179.045 0.300 . 1 . . . . 66 GLN C . 10295 1 707 . 1 1 66 66 GLN CA C 13 59.255 0.300 . 1 . . . . 66 GLN CA . 10295 1 708 . 1 1 66 66 GLN CB C 13 28.207 0.300 . 1 . . . . 66 GLN CB . 10295 1 709 . 1 1 66 66 GLN CG C 13 33.663 0.300 . 1 . . . . 66 GLN CG . 10295 1 710 . 1 1 66 66 GLN N N 15 116.821 0.300 . 1 . . . . 66 GLN N . 10295 1 711 . 1 1 66 66 GLN NE2 N 15 111.637 0.300 . 1 . . . . 66 GLN NE2 . 10295 1 712 . 1 1 67 67 ASN H H 1 7.862 0.030 . 1 . . . . 67 ASN H . 10295 1 713 . 1 1 67 67 ASN HA H 1 4.367 0.030 . 1 . . . . 67 ASN HA . 10295 1 714 . 1 1 67 67 ASN HB2 H 1 2.484 0.030 . 2 . . . . 67 ASN HB2 . 10295 1 715 . 1 1 67 67 ASN HB3 H 1 2.665 0.030 . 2 . . . . 67 ASN HB3 . 10295 1 716 . 1 1 67 67 ASN HD21 H 1 7.513 0.030 . 2 . . . . 67 ASN HD21 . 10295 1 717 . 1 1 67 67 ASN HD22 H 1 6.957 0.030 . 2 . . . . 67 ASN HD22 . 10295 1 718 . 1 1 67 67 ASN C C 13 177.759 0.300 . 1 . . . . 67 ASN C . 10295 1 719 . 1 1 67 67 ASN CA C 13 55.852 0.300 . 1 . . . . 67 ASN CA . 10295 1 720 . 1 1 67 67 ASN CB C 13 38.119 0.300 . 1 . . . . 67 ASN CB . 10295 1 721 . 1 1 67 67 ASN N N 15 118.257 0.300 . 1 . . . . 67 ASN N . 10295 1 722 . 1 1 67 67 ASN ND2 N 15 113.093 0.300 . 1 . . . . 67 ASN ND2 . 10295 1 723 . 1 1 68 68 ARG H H 1 8.533 0.030 . 1 . . . . 68 ARG H . 10295 1 724 . 1 1 68 68 ARG HA H 1 3.430 0.030 . 1 . . . . 68 ARG HA . 10295 1 725 . 1 1 68 68 ARG HB2 H 1 -0.611 0.030 . 2 . . . . 68 ARG HB2 . 10295 1 726 . 1 1 68 68 ARG HB3 H 1 0.507 0.030 . 2 . . . . 68 ARG HB3 . 10295 1 727 . 1 1 68 68 ARG HD2 H 1 2.401 0.030 . 2 . . . . 68 ARG HD2 . 10295 1 728 . 1 1 68 68 ARG HD3 H 1 2.065 0.030 . 2 . . . . 68 ARG HD3 . 10295 1 729 . 1 1 68 68 ARG HE H 1 9.375 0.030 . 1 . . . . 68 ARG HE . 10295 1 730 . 1 1 68 68 ARG HG2 H 1 -0.374 0.030 . 2 . . . . 68 ARG HG2 . 10295 1 731 . 1 1 68 68 ARG HG3 H 1 -0.656 0.030 . 2 . . . . 68 ARG HG3 . 10295 1 732 . 1 1 68 68 ARG C C 13 179.992 0.300 . 1 . . . . 68 ARG C . 10295 1 733 . 1 1 68 68 ARG CA C 13 56.391 0.300 . 1 . . . . 68 ARG CA . 10295 1 734 . 1 1 68 68 ARG CB C 13 27.959 0.300 . 1 . . . . 68 ARG CB . 10295 1 735 . 1 1 68 68 ARG CD C 13 40.636 0.300 . 1 . . . . 68 ARG CD . 10295 1 736 . 1 1 68 68 ARG CG C 13 23.173 0.300 . 1 . . . . 68 ARG CG . 10295 1 737 . 1 1 68 68 ARG N N 15 123.922 0.300 . 1 . . . . 68 ARG N . 10295 1 738 . 1 1 68 68 ARG NE N 15 89.041 0.300 . 1 . . . . 68 ARG NE . 10295 1 739 . 1 1 69 69 ARG H H 1 8.226 0.030 . 1 . . . . 69 ARG H . 10295 1 740 . 1 1 69 69 ARG HA H 1 4.357 0.030 . 1 . . . . 69 ARG HA . 10295 1 741 . 1 1 69 69 ARG HB2 H 1 2.017 0.030 . 2 . . . . 69 ARG HB2 . 10295 1 742 . 1 1 69 69 ARG HB3 H 1 2.257 0.030 . 2 . . . . 69 ARG HB3 . 10295 1 743 . 1 1 69 69 ARG HD2 H 1 2.882 0.030 . 2 . . . . 69 ARG HD2 . 10295 1 744 . 1 1 69 69 ARG HD3 H 1 3.043 0.030 . 2 . . . . 69 ARG HD3 . 10295 1 745 . 1 1 69 69 ARG HG2 H 1 1.522 0.030 . 2 . . . . 69 ARG HG2 . 10295 1 746 . 1 1 69 69 ARG HG3 H 1 2.230 0.030 . 2 . . . . 69 ARG HG3 . 10295 1 747 . 1 1 69 69 ARG C C 13 178.535 0.300 . 1 . . . . 69 ARG C . 10295 1 748 . 1 1 69 69 ARG CA C 13 60.681 0.300 . 1 . . . . 69 ARG CA . 10295 1 749 . 1 1 69 69 ARG CB C 13 31.938 0.300 . 1 . . . . 69 ARG CB . 10295 1 750 . 1 1 69 69 ARG CD C 13 43.827 0.300 . 1 . . . . 69 ARG CD . 10295 1 751 . 1 1 69 69 ARG CG C 13 30.950 0.300 . 1 . . . . 69 ARG CG . 10295 1 752 . 1 1 69 69 ARG N N 15 118.839 0.300 . 1 . . . . 69 ARG N . 10295 1 753 . 1 1 70 70 MET H H 1 7.480 0.030 . 1 . . . . 70 MET H . 10295 1 754 . 1 1 70 70 MET HA H 1 4.287 0.030 . 1 . . . . 70 MET HA . 10295 1 755 . 1 1 70 70 MET HB2 H 1 2.231 0.030 . 2 . . . . 70 MET HB2 . 10295 1 756 . 1 1 70 70 MET HB3 H 1 2.174 0.030 . 2 . . . . 70 MET HB3 . 10295 1 757 . 1 1 70 70 MET HE1 H 1 2.119 0.030 . 1 . . . . 70 MET HE . 10295 1 758 . 1 1 70 70 MET HE2 H 1 2.119 0.030 . 1 . . . . 70 MET HE . 10295 1 759 . 1 1 70 70 MET HE3 H 1 2.119 0.030 . 1 . . . . 70 MET HE . 10295 1 760 . 1 1 70 70 MET HG2 H 1 2.654 0.030 . 2 . . . . 70 MET HG2 . 10295 1 761 . 1 1 70 70 MET HG3 H 1 2.801 0.030 . 2 . . . . 70 MET HG3 . 10295 1 762 . 1 1 70 70 MET C C 13 178.098 0.300 . 1 . . . . 70 MET C . 10295 1 763 . 1 1 70 70 MET CA C 13 58.381 0.300 . 1 . . . . 70 MET CA . 10295 1 764 . 1 1 70 70 MET CB C 13 32.011 0.300 . 1 . . . . 70 MET CB . 10295 1 765 . 1 1 70 70 MET CE C 13 16.989 0.300 . 1 . . . . 70 MET CE . 10295 1 766 . 1 1 70 70 MET CG C 13 32.003 0.300 . 1 . . . . 70 MET CG . 10295 1 767 . 1 1 70 70 MET N N 15 118.164 0.300 . 1 . . . . 70 MET N . 10295 1 768 . 1 1 71 71 LYS H H 1 7.298 0.030 . 1 . . . . 71 LYS H . 10295 1 769 . 1 1 71 71 LYS HA H 1 4.086 0.030 . 1 . . . . 71 LYS HA . 10295 1 770 . 1 1 71 71 LYS HB2 H 1 1.801 0.030 . 2 . . . . 71 LYS HB2 . 10295 1 771 . 1 1 71 71 LYS HB3 H 1 1.741 0.030 . 2 . . . . 71 LYS HB3 . 10295 1 772 . 1 1 71 71 LYS HD2 H 1 1.514 0.030 . 1 . . . . 71 LYS HD2 . 10295 1 773 . 1 1 71 71 LYS HD3 H 1 1.514 0.030 . 1 . . . . 71 LYS HD3 . 10295 1 774 . 1 1 71 71 LYS HE2 H 1 2.847 0.030 . 1 . . . . 71 LYS HE2 . 10295 1 775 . 1 1 71 71 LYS HE3 H 1 2.847 0.030 . 1 . . . . 71 LYS HE3 . 10295 1 776 . 1 1 71 71 LYS HG2 H 1 1.290 0.030 . 2 . . . . 71 LYS HG2 . 10295 1 777 . 1 1 71 71 LYS HG3 H 1 1.422 0.030 . 2 . . . . 71 LYS HG3 . 10295 1 778 . 1 1 71 71 LYS C C 13 177.831 0.300 . 1 . . . . 71 LYS C . 10295 1 779 . 1 1 71 71 LYS CA C 13 58.324 0.300 . 1 . . . . 71 LYS CA . 10295 1 780 . 1 1 71 71 LYS CB C 13 32.732 0.300 . 1 . . . . 71 LYS CB . 10295 1 781 . 1 1 71 71 LYS CD C 13 29.297 0.300 . 1 . . . . 71 LYS CD . 10295 1 782 . 1 1 71 71 LYS CE C 13 42.040 0.300 . 1 . . . . 71 LYS CE . 10295 1 783 . 1 1 71 71 LYS CG C 13 24.892 0.300 . 1 . . . . 71 LYS CG . 10295 1 784 . 1 1 71 71 LYS N N 15 118.798 0.300 . 1 . . . . 71 LYS N . 10295 1 785 . 1 1 72 72 TRP H H 1 7.952 0.030 . 1 . . . . 72 TRP H . 10295 1 786 . 1 1 72 72 TRP HA H 1 4.721 0.030 . 1 . . . . 72 TRP HA . 10295 1 787 . 1 1 72 72 TRP HB2 H 1 3.755 0.030 . 2 . . . . 72 TRP HB2 . 10295 1 788 . 1 1 72 72 TRP HB3 H 1 3.358 0.030 . 2 . . . . 72 TRP HB3 . 10295 1 789 . 1 1 72 72 TRP HD1 H 1 7.454 0.030 . 1 . . . . 72 TRP HD1 . 10295 1 790 . 1 1 72 72 TRP HE1 H 1 10.325 0.030 . 1 . . . . 72 TRP HE1 . 10295 1 791 . 1 1 72 72 TRP HE3 H 1 7.707 0.030 . 1 . . . . 72 TRP HE3 . 10295 1 792 . 1 1 72 72 TRP HH2 H 1 7.313 0.030 . 1 . . . . 72 TRP HH2 . 10295 1 793 . 1 1 72 72 TRP HZ2 H 1 7.532 0.030 . 1 . . . . 72 TRP HZ2 . 10295 1 794 . 1 1 72 72 TRP HZ3 H 1 7.120 0.030 . 1 . . . . 72 TRP HZ3 . 10295 1 795 . 1 1 72 72 TRP C C 13 177.152 0.300 . 1 . . . . 72 TRP C . 10295 1 796 . 1 1 72 72 TRP CA C 13 58.506 0.300 . 1 . . . . 72 TRP CA . 10295 1 797 . 1 1 72 72 TRP CB C 13 29.602 0.300 . 1 . . . . 72 TRP CB . 10295 1 798 . 1 1 72 72 TRP CD1 C 13 127.117 0.300 . 1 . . . . 72 TRP CD1 . 10295 1 799 . 1 1 72 72 TRP CE3 C 13 119.927 0.300 . 1 . . . . 72 TRP CE3 . 10295 1 800 . 1 1 72 72 TRP CH2 C 13 124.772 0.300 . 1 . . . . 72 TRP CH2 . 10295 1 801 . 1 1 72 72 TRP CZ2 C 13 114.856 0.300 . 1 . . . . 72 TRP CZ2 . 10295 1 802 . 1 1 72 72 TRP CZ3 C 13 121.568 0.300 . 1 . . . . 72 TRP CZ3 . 10295 1 803 . 1 1 72 72 TRP N N 15 121.455 0.300 . 1 . . . . 72 TRP N . 10295 1 804 . 1 1 72 72 TRP NE1 N 15 130.803 0.300 . 1 . . . . 72 TRP NE1 . 10295 1 805 . 1 1 73 73 LYS H H 1 8.241 0.030 . 1 . . . . 73 LYS H . 10295 1 806 . 1 1 73 73 LYS HA H 1 3.781 0.030 . 1 . . . . 73 LYS HA . 10295 1 807 . 1 1 73 73 LYS HB2 H 1 1.736 0.030 . 1 . . . . 73 LYS HB2 . 10295 1 808 . 1 1 73 73 LYS HB3 H 1 1.736 0.030 . 1 . . . . 73 LYS HB3 . 10295 1 809 . 1 1 73 73 LYS HD2 H 1 1.476 0.030 . 1 . . . . 73 LYS HD2 . 10295 1 810 . 1 1 73 73 LYS HD3 H 1 1.476 0.030 . 1 . . . . 73 LYS HD3 . 10295 1 811 . 1 1 73 73 LYS HE2 H 1 2.779 0.030 . 2 . . . . 73 LYS HE2 . 10295 1 812 . 1 1 73 73 LYS HE3 H 1 2.865 0.030 . 2 . . . . 73 LYS HE3 . 10295 1 813 . 1 1 73 73 LYS HG2 H 1 1.224 0.030 . 2 . . . . 73 LYS HG2 . 10295 1 814 . 1 1 73 73 LYS HG3 H 1 1.385 0.030 . 2 . . . . 73 LYS HG3 . 10295 1 815 . 1 1 73 73 LYS C C 13 176.957 0.300 . 1 . . . . 73 LYS C . 10295 1 816 . 1 1 73 73 LYS CA C 13 57.074 0.300 . 1 . . . . 73 LYS CA . 10295 1 817 . 1 1 73 73 LYS CB C 13 32.567 0.300 . 1 . . . . 73 LYS CB . 10295 1 818 . 1 1 73 73 LYS CD C 13 28.903 0.300 . 1 . . . . 73 LYS CD . 10295 1 819 . 1 1 73 73 LYS CE C 13 42.049 0.300 . 1 . . . . 73 LYS CE . 10295 1 820 . 1 1 73 73 LYS CG C 13 24.918 0.300 . 1 . . . . 73 LYS CG . 10295 1 821 . 1 1 73 73 LYS N N 15 120.065 0.300 . 1 . . . . 73 LYS N . 10295 1 822 . 1 1 74 74 LYS H H 1 7.705 0.030 . 1 . . . . 74 LYS H . 10295 1 823 . 1 1 74 74 LYS HA H 1 4.154 0.030 . 1 . . . . 74 LYS HA . 10295 1 824 . 1 1 74 74 LYS HB2 H 1 1.845 0.030 . 1 . . . . 74 LYS HB2 . 10295 1 825 . 1 1 74 74 LYS HB3 H 1 1.845 0.030 . 1 . . . . 74 LYS HB3 . 10295 1 826 . 1 1 74 74 LYS HD2 H 1 1.650 0.030 . 2 . . . . 74 LYS HD2 . 10295 1 827 . 1 1 74 74 LYS HE2 H 1 2.987 0.030 . 2 . . . . 74 LYS HE2 . 10295 1 828 . 1 1 74 74 LYS HG2 H 1 1.381 0.030 . 2 . . . . 74 LYS HG2 . 10295 1 829 . 1 1 74 74 LYS HG3 H 1 1.456 0.030 . 2 . . . . 74 LYS HG3 . 10295 1 830 . 1 1 74 74 LYS C C 13 176.836 0.300 . 1 . . . . 74 LYS C . 10295 1 831 . 1 1 74 74 LYS CA C 13 57.028 0.300 . 1 . . . . 74 LYS CA . 10295 1 832 . 1 1 74 74 LYS CB C 13 32.402 0.300 . 1 . . . . 74 LYS CB . 10295 1 833 . 1 1 74 74 LYS CD C 13 29.231 0.300 . 1 . . . . 74 LYS CD . 10295 1 834 . 1 1 74 74 LYS CE C 13 42.164 0.300 . 1 . . . . 74 LYS CE . 10295 1 835 . 1 1 74 74 LYS CG C 13 24.892 0.300 . 1 . . . . 74 LYS CG . 10295 1 836 . 1 1 74 74 LYS N N 15 120.036 0.300 . 1 . . . . 74 LYS N . 10295 1 837 . 1 1 75 75 SER H H 1 7.986 0.030 . 1 . . . . 75 SER H . 10295 1 838 . 1 1 75 75 SER HA H 1 4.470 0.030 . 1 . . . . 75 SER HA . 10295 1 839 . 1 1 75 75 SER HB2 H 1 3.918 0.030 . 1 . . . . 75 SER HB2 . 10295 1 840 . 1 1 75 75 SER HB3 H 1 3.918 0.030 . 1 . . . . 75 SER HB3 . 10295 1 841 . 1 1 75 75 SER C C 13 174.530 0.300 . 1 . . . . 75 SER C . 10295 1 842 . 1 1 75 75 SER CA C 13 58.786 0.300 . 1 . . . . 75 SER CA . 10295 1 843 . 1 1 75 75 SER CB C 13 63.975 0.300 . 1 . . . . 75 SER CB . 10295 1 844 . 1 1 75 75 SER N N 15 115.488 0.300 . 1 . . . . 75 SER N . 10295 1 845 . 1 1 76 76 GLY H H 1 8.040 0.030 . 1 . . . . 76 GLY H . 10295 1 846 . 1 1 76 76 GLY HA2 H 1 4.076 0.030 . 2 . . . . 76 GLY HA2 . 10295 1 847 . 1 1 76 76 GLY HA3 H 1 4.099 0.030 . 2 . . . . 76 GLY HA3 . 10295 1 848 . 1 1 76 76 GLY C C 13 171.835 0.300 . 1 . . . . 76 GLY C . 10295 1 849 . 1 1 76 76 GLY CA C 13 44.789 0.300 . 1 . . . . 76 GLY CA . 10295 1 850 . 1 1 76 76 GLY N N 15 110.454 0.300 . 1 . . . . 76 GLY N . 10295 1 851 . 1 1 77 77 PRO HA H 1 4.456 0.030 . 1 . . . . 77 PRO HA . 10295 1 852 . 1 1 77 77 PRO HB2 H 1 1.973 0.030 . 2 . . . . 77 PRO HB2 . 10295 1 853 . 1 1 77 77 PRO HB3 H 1 2.270 0.030 . 2 . . . . 77 PRO HB3 . 10295 1 854 . 1 1 77 77 PRO HD2 H 1 3.602 0.030 . 2 . . . . 77 PRO HD2 . 10295 1 855 . 1 1 77 77 PRO HG2 H 1 1.973 0.030 . 2 . . . . 77 PRO HG2 . 10295 1 856 . 1 1 77 77 PRO CA C 13 63.323 0.300 . 1 . . . . 77 PRO CA . 10295 1 857 . 1 1 77 77 PRO CB C 13 32.209 0.300 . 1 . . . . 77 PRO CB . 10295 1 858 . 1 1 77 77 PRO CD C 13 49.850 0.300 . 1 . . . . 77 PRO CD . 10295 1 859 . 1 1 77 77 PRO CG C 13 27.097 0.300 . 1 . . . . 77 PRO CG . 10295 1 860 . 1 1 79 79 SER HA H 1 4.506 0.030 . 1 . . . . 79 SER HA . 10295 1 861 . 1 1 79 79 SER HB2 H 1 3.893 0.030 . 1 . . . . 79 SER HB2 . 10295 1 862 . 1 1 79 79 SER HB3 H 1 3.893 0.030 . 1 . . . . 79 SER HB3 . 10295 1 863 . 1 1 79 79 SER C C 13 173.947 0.300 . 1 . . . . 79 SER C . 10295 1 864 . 1 1 79 79 SER CA C 13 58.433 0.300 . 1 . . . . 79 SER CA . 10295 1 865 . 1 1 79 79 SER CB C 13 63.960 0.300 . 1 . . . . 79 SER CB . 10295 1 866 . 1 1 80 80 GLY H H 1 8.039 0.030 . 1 . . . . 80 GLY H . 10295 1 867 . 1 1 80 80 GLY C C 13 179.045 0.300 . 1 . . . . 80 GLY C . 10295 1 868 . 1 1 80 80 GLY CA C 13 46.234 0.300 . 1 . . . . 80 GLY CA . 10295 1 869 . 1 1 80 80 GLY N N 15 116.823 0.300 . 1 . . . . 80 GLY N . 10295 1 stop_ save_