data_10297 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10297 _Entry.Title ; Solution structure of the homeobox domain from human NIL-2-A zinc finger protein, transcription factor 8 ; _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 . . . 10297 2 N. Tochio . . . 10297 3 S. Koshiba . . . 10297 4 T. Harada . . . 10297 5 S. Watanabe . . . 10297 6 T. Kigawa . . . 10297 7 S. Yokoyama . . . 10297 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' 10297 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10297 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 264 10297 '15N chemical shifts' 62 10297 '1H chemical shifts' 418 10297 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 . 10297 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E19 'BMRB Entry Tracking System' 10297 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10297 _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 from human NIL-2-A zinc finger protein, transcription factor 8 ; _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 . . . 10297 1 2 N. Tochio . . . 10297 1 3 S. Koshiba . . . 10297 1 4 T. Harada . . . 10297 1 5 S. Watanabe . . . 10297 1 6 T. Kigawa . . . 10297 1 7 S. Yokoyama . . . 10297 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10297 _Assembly.ID 1 _Assembly.Name 'Transcription factor 8' _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 . . . 10297 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 2E19 . . . . . . 10297 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10297 _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 ; GSSGSSGQPPLKNLLSLLKA YYALNAQPSAEELSKIADSV NLPLDVVKKWFEKMQAGQIS VQSS ; _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 64 _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 2E19 . "Solution Structure Of The Homeobox Domain From Human Nil-2- A Zinc Finger Protein, Transcription Factor 8" . . . . . 100.00 64 100.00 100.00 2.31e-35 . . . . 10297 1 2 no DBJ BAA03259 . "deltaEF1 [Gallus gallus]" . . . . . 93.75 1114 98.33 98.33 2.11e-29 . . . . 10297 1 3 no DBJ BAA11178 . "transcriptional repressor deltaEF1 [Gallus gallus]" . . . . . 93.75 1114 98.33 98.33 2.11e-29 . . . . 10297 1 4 no GB EMC89439 . "Zinc finger E-box-binding homeobox 1, partial [Columba livia]" . . . . . 93.75 1091 98.33 98.33 2.49e-29 . . . . 10297 1 5 no GB EMP31625 . "Zinc finger E-box-binding homeobox 1, partial [Chelonia mydas]" . . . . . 93.75 1084 98.33 98.33 3.12e-29 . . . . 10297 1 6 no GB EOA95468 . "Zinc finger E-box-binding homeobox 1, partial [Anas platyrhynchos]" . . . . . 93.75 1091 98.33 98.33 2.09e-29 . . . . 10297 1 7 no GB KFM04765 . "Zinc finger E-box-binding homeobox 1, partial [Aptenodytes forsteri]" . . . . . 93.75 1074 98.33 98.33 2.40e-29 . . . . 10297 1 8 no GB KFO63461 . "Zinc finger E-box-binding homeobox 1, partial [Corvus brachyrhynchos]" . . . . . 93.75 1073 98.33 98.33 2.78e-29 . . . . 10297 1 9 no REF NP_990462 . "zinc finger E-box-binding homeobox 1 [Gallus gallus]" . . . . . 93.75 1114 98.33 98.33 2.11e-29 . . . . 10297 1 10 no REF XP_005027918 . "PREDICTED: zinc finger E-box-binding homeobox 1 isoform X1 [Anas platyrhynchos]" . . . . . 93.75 1127 98.33 98.33 2.20e-29 . . . . 10297 1 11 no REF XP_005027919 . "PREDICTED: zinc finger E-box-binding homeobox 1 isoform X2 [Anas platyrhynchos]" . . . . . 93.75 1106 98.33 98.33 2.12e-29 . . . . 10297 1 12 no REF XP_005027920 . "PREDICTED: zinc finger E-box-binding homeobox 1 isoform X4 [Anas platyrhynchos]" . . . . . 93.75 1094 98.33 98.33 2.16e-29 . . . . 10297 1 13 no REF XP_005040695 . "PREDICTED: LOW QUALITY PROTEIN: zinc finger E-box-binding homeobox 1 [Ficedula albicollis]" . . . . . 93.75 1112 98.33 98.33 3.36e-29 . . . . 10297 1 14 no SP P36197 . "RecName: Full=Zinc finger E-box-binding homeobox 1; AltName: Full=Delta EF1; AltName: Full=Delta-crystallin enhancer-binding fa" . . . . . 93.75 1114 98.33 98.33 2.11e-29 . . . . 10297 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'homeobox domain' . 10297 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 . 10297 1 2 . SER . 10297 1 3 . SER . 10297 1 4 . GLY . 10297 1 5 . SER . 10297 1 6 . SER . 10297 1 7 . GLY . 10297 1 8 . GLN . 10297 1 9 . PRO . 10297 1 10 . PRO . 10297 1 11 . LEU . 10297 1 12 . LYS . 10297 1 13 . ASN . 10297 1 14 . LEU . 10297 1 15 . LEU . 10297 1 16 . SER . 10297 1 17 . LEU . 10297 1 18 . LEU . 10297 1 19 . LYS . 10297 1 20 . ALA . 10297 1 21 . TYR . 10297 1 22 . TYR . 10297 1 23 . ALA . 10297 1 24 . LEU . 10297 1 25 . ASN . 10297 1 26 . ALA . 10297 1 27 . GLN . 10297 1 28 . PRO . 10297 1 29 . SER . 10297 1 30 . ALA . 10297 1 31 . GLU . 10297 1 32 . GLU . 10297 1 33 . LEU . 10297 1 34 . SER . 10297 1 35 . LYS . 10297 1 36 . ILE . 10297 1 37 . ALA . 10297 1 38 . ASP . 10297 1 39 . SER . 10297 1 40 . VAL . 10297 1 41 . ASN . 10297 1 42 . LEU . 10297 1 43 . PRO . 10297 1 44 . LEU . 10297 1 45 . ASP . 10297 1 46 . VAL . 10297 1 47 . VAL . 10297 1 48 . LYS . 10297 1 49 . LYS . 10297 1 50 . TRP . 10297 1 51 . PHE . 10297 1 52 . GLU . 10297 1 53 . LYS . 10297 1 54 . MET . 10297 1 55 . GLN . 10297 1 56 . ALA . 10297 1 57 . GLY . 10297 1 58 . GLN . 10297 1 59 . ILE . 10297 1 60 . SER . 10297 1 61 . VAL . 10297 1 62 . GLN . 10297 1 63 . SER . 10297 1 64 . SER . 10297 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 10297 1 . SER 2 2 10297 1 . SER 3 3 10297 1 . GLY 4 4 10297 1 . SER 5 5 10297 1 . SER 6 6 10297 1 . GLY 7 7 10297 1 . GLN 8 8 10297 1 . PRO 9 9 10297 1 . PRO 10 10 10297 1 . LEU 11 11 10297 1 . LYS 12 12 10297 1 . ASN 13 13 10297 1 . LEU 14 14 10297 1 . LEU 15 15 10297 1 . SER 16 16 10297 1 . LEU 17 17 10297 1 . LEU 18 18 10297 1 . LYS 19 19 10297 1 . ALA 20 20 10297 1 . TYR 21 21 10297 1 . TYR 22 22 10297 1 . ALA 23 23 10297 1 . LEU 24 24 10297 1 . ASN 25 25 10297 1 . ALA 26 26 10297 1 . GLN 27 27 10297 1 . PRO 28 28 10297 1 . SER 29 29 10297 1 . ALA 30 30 10297 1 . GLU 31 31 10297 1 . GLU 32 32 10297 1 . LEU 33 33 10297 1 . SER 34 34 10297 1 . LYS 35 35 10297 1 . ILE 36 36 10297 1 . ALA 37 37 10297 1 . ASP 38 38 10297 1 . SER 39 39 10297 1 . VAL 40 40 10297 1 . ASN 41 41 10297 1 . LEU 42 42 10297 1 . PRO 43 43 10297 1 . LEU 44 44 10297 1 . ASP 45 45 10297 1 . VAL 46 46 10297 1 . VAL 47 47 10297 1 . LYS 48 48 10297 1 . LYS 49 49 10297 1 . TRP 50 50 10297 1 . PHE 51 51 10297 1 . GLU 52 52 10297 1 . LYS 53 53 10297 1 . MET 54 54 10297 1 . GLN 55 55 10297 1 . ALA 56 56 10297 1 . GLY 57 57 10297 1 . GLN 58 58 10297 1 . ILE 59 59 10297 1 . SER 60 60 10297 1 . VAL 61 61 10297 1 . GLN 62 62 10297 1 . SER 63 63 10297 1 . SER 64 64 10297 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 10297 _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 . . . . . . . . . . . . . . . . . . . . . 10297 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 10297 _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 . . P060417-13 . . . . . . 10297 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10297 _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 . . . . 10297 1 2 d-TrisHCl . . . . . . buffer 20 . . mM . . . . 10297 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10297 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10297 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10297 1 6 H2O . . . . . . solvent 90 . . % . . . . 10297 1 7 D2O . . . . . . solvent 10 . . % . . . . 10297 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 10297 _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 10297 1 pH 7.0 0.05 pH 10297 1 pressure 1 0.001 atm 10297 1 temperature 296 0.1 K 10297 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10297 _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 . . 10297 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10297 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10297 _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.' . . 10297 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10297 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10297 _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.' . . 10297 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10297 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10297 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9742 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10297 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10297 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10297 _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.' . . 10297 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10297 5 'structure solution' 10297 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 10297 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10297 _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 . 900 . . . 10297 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 10297 _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 . . . . . . . . . . . . . . . . 10297 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10297 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 10297 _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 . . . . . . . . . 10297 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10297 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10297 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 10297 _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 10297 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10297 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.502 0.030 . 1 . . . . 6 SER HA . 10297 1 2 . 1 1 6 6 SER HB2 H 1 3.913 0.030 . 1 . . . . 6 SER HB2 . 10297 1 3 . 1 1 6 6 SER HB3 H 1 3.913 0.030 . 1 . . . . 6 SER HB3 . 10297 1 4 . 1 1 6 6 SER C C 13 175.076 0.300 . 1 . . . . 6 SER C . 10297 1 5 . 1 1 6 6 SER CA C 13 58.733 0.300 . 1 . . . . 6 SER CA . 10297 1 6 . 1 1 6 6 SER CB C 13 63.809 0.300 . 1 . . . . 6 SER CB . 10297 1 7 . 1 1 7 7 GLY H H 1 8.416 0.030 . 1 . . . . 7 GLY H . 10297 1 8 . 1 1 7 7 GLY HA2 H 1 3.966 0.030 . 1 . . . . 7 GLY HA2 . 10297 1 9 . 1 1 7 7 GLY HA3 H 1 3.966 0.030 . 1 . . . . 7 GLY HA3 . 10297 1 10 . 1 1 7 7 GLY C C 13 173.813 0.300 . 1 . . . . 7 GLY C . 10297 1 11 . 1 1 7 7 GLY CA C 13 45.226 0.300 . 1 . . . . 7 GLY CA . 10297 1 12 . 1 1 7 7 GLY N N 15 110.646 0.300 . 1 . . . . 7 GLY N . 10297 1 13 . 1 1 8 8 GLN H H 1 8.187 0.030 . 1 . . . . 8 GLN H . 10297 1 14 . 1 1 8 8 GLN HA H 1 4.656 0.030 . 1 . . . . 8 GLN HA . 10297 1 15 . 1 1 8 8 GLN HB2 H 1 1.928 0.030 . 2 . . . . 8 GLN HB2 . 10297 1 16 . 1 1 8 8 GLN HB3 H 1 2.078 0.030 . 2 . . . . 8 GLN HB3 . 10297 1 17 . 1 1 8 8 GLN HE21 H 1 7.583 0.030 . 2 . . . . 8 GLN HE21 . 10297 1 18 . 1 1 8 8 GLN HE22 H 1 6.861 0.030 . 2 . . . . 8 GLN HE22 . 10297 1 19 . 1 1 8 8 GLN HG2 H 1 2.383 0.030 . 1 . . . . 8 GLN HG2 . 10297 1 20 . 1 1 8 8 GLN HG3 H 1 2.383 0.030 . 1 . . . . 8 GLN HG3 . 10297 1 21 . 1 1 8 8 GLN C C 13 173.741 0.300 . 1 . . . . 8 GLN C . 10297 1 22 . 1 1 8 8 GLN CA C 13 53.677 0.300 . 1 . . . . 8 GLN CA . 10297 1 23 . 1 1 8 8 GLN CB C 13 29.079 0.300 . 1 . . . . 8 GLN CB . 10297 1 24 . 1 1 8 8 GLN CG C 13 33.430 0.300 . 1 . . . . 8 GLN CG . 10297 1 25 . 1 1 8 8 GLN N N 15 120.767 0.300 . 1 . . . . 8 GLN N . 10297 1 26 . 1 1 8 8 GLN NE2 N 15 112.468 0.300 . 1 . . . . 8 GLN NE2 . 10297 1 27 . 1 1 9 9 PRO HA H 1 4.723 0.030 . 1 . . . . 9 PRO HA . 10297 1 28 . 1 1 9 9 PRO HB2 H 1 2.021 0.030 . 1 . . . . 9 PRO HB2 . 10297 1 29 . 1 1 9 9 PRO HB3 H 1 2.021 0.030 . 1 . . . . 9 PRO HB3 . 10297 1 30 . 1 1 9 9 PRO HD2 H 1 3.652 0.030 . 2 . . . . 9 PRO HD2 . 10297 1 31 . 1 1 9 9 PRO HD3 H 1 3.874 0.030 . 2 . . . . 9 PRO HD3 . 10297 1 32 . 1 1 9 9 PRO HG2 H 1 1.836 0.030 . 2 . . . . 9 PRO HG2 . 10297 1 33 . 1 1 9 9 PRO HG3 H 1 2.365 0.030 . 2 . . . . 9 PRO HG3 . 10297 1 34 . 1 1 9 9 PRO CB C 13 27.766 0.300 . 1 . . . . 9 PRO CB . 10297 1 35 . 1 1 9 9 PRO CD C 13 50.630 0.300 . 1 . . . . 9 PRO CD . 10297 1 36 . 1 1 9 9 PRO CG C 13 30.938 0.300 . 1 . . . . 9 PRO CG . 10297 1 37 . 1 1 10 10 PRO HA H 1 4.444 0.030 . 1 . . . . 10 PRO HA . 10297 1 38 . 1 1 10 10 PRO HB2 H 1 1.909 0.030 . 2 . . . . 10 PRO HB2 . 10297 1 39 . 1 1 10 10 PRO HB3 H 1 2.293 0.030 . 2 . . . . 10 PRO HB3 . 10297 1 40 . 1 1 10 10 PRO HD2 H 1 3.622 0.030 . 2 . . . . 10 PRO HD2 . 10297 1 41 . 1 1 10 10 PRO HD3 H 1 3.846 0.030 . 2 . . . . 10 PRO HD3 . 10297 1 42 . 1 1 10 10 PRO HG2 H 1 2.045 0.030 . 2 . . . . 10 PRO HG2 . 10297 1 43 . 1 1 10 10 PRO C C 13 177.309 0.300 . 1 . . . . 10 PRO C . 10297 1 44 . 1 1 10 10 PRO CA C 13 63.083 0.300 . 1 . . . . 10 PRO CA . 10297 1 45 . 1 1 10 10 PRO CB C 13 31.881 0.300 . 1 . . . . 10 PRO CB . 10297 1 46 . 1 1 10 10 PRO CD C 13 50.463 0.300 . 1 . . . . 10 PRO CD . 10297 1 47 . 1 1 10 10 PRO CG C 13 27.533 0.300 . 1 . . . . 10 PRO CG . 10297 1 48 . 1 1 11 11 LEU H H 1 8.323 0.030 . 1 . . . . 11 LEU H . 10297 1 49 . 1 1 11 11 LEU HA H 1 4.105 0.030 . 1 . . . . 11 LEU HA . 10297 1 50 . 1 1 11 11 LEU HB2 H 1 1.568 0.030 . 2 . . . . 11 LEU HB2 . 10297 1 51 . 1 1 11 11 LEU HB3 H 1 1.636 0.030 . 2 . . . . 11 LEU HB3 . 10297 1 52 . 1 1 11 11 LEU HD11 H 1 0.814 0.030 . 1 . . . . 11 LEU HD1 . 10297 1 53 . 1 1 11 11 LEU HD12 H 1 0.814 0.030 . 1 . . . . 11 LEU HD1 . 10297 1 54 . 1 1 11 11 LEU HD13 H 1 0.814 0.030 . 1 . . . . 11 LEU HD1 . 10297 1 55 . 1 1 11 11 LEU HD21 H 1 0.848 0.030 . 1 . . . . 11 LEU HD2 . 10297 1 56 . 1 1 11 11 LEU HD22 H 1 0.848 0.030 . 1 . . . . 11 LEU HD2 . 10297 1 57 . 1 1 11 11 LEU HD23 H 1 0.848 0.030 . 1 . . . . 11 LEU HD2 . 10297 1 58 . 1 1 11 11 LEU HG H 1 1.575 0.030 . 1 . . . . 11 LEU HG . 10297 1 59 . 1 1 11 11 LEU C C 13 178.232 0.300 . 1 . . . . 11 LEU C . 10297 1 60 . 1 1 11 11 LEU CA C 13 56.572 0.300 . 1 . . . . 11 LEU CA . 10297 1 61 . 1 1 11 11 LEU CB C 13 42.000 0.300 . 1 . . . . 11 LEU CB . 10297 1 62 . 1 1 11 11 LEU CD1 C 13 24.557 0.300 . 2 . . . . 11 LEU CD1 . 10297 1 63 . 1 1 11 11 LEU CG C 13 27.033 0.300 . 1 . . . . 11 LEU CG . 10297 1 64 . 1 1 11 11 LEU N N 15 122.449 0.300 . 1 . . . . 11 LEU N . 10297 1 65 . 1 1 12 12 LYS H H 1 8.319 0.030 . 1 . . . . 12 LYS H . 10297 1 66 . 1 1 12 12 LYS HA H 1 3.986 0.030 . 1 . . . . 12 LYS HA . 10297 1 67 . 1 1 12 12 LYS HB2 H 1 1.850 0.030 . 2 . . . . 12 LYS HB2 . 10297 1 68 . 1 1 12 12 LYS HB3 H 1 1.759 0.030 . 2 . . . . 12 LYS HB3 . 10297 1 69 . 1 1 12 12 LYS HD2 H 1 1.663 0.030 . 2 . . . . 12 LYS HD2 . 10297 1 70 . 1 1 12 12 LYS HE2 H 1 2.922 0.030 . 2 . . . . 12 LYS HE2 . 10297 1 71 . 1 1 12 12 LYS HG2 H 1 1.473 0.030 . 2 . . . . 12 LYS HG2 . 10297 1 72 . 1 1 12 12 LYS HG3 H 1 1.383 0.030 . 2 . . . . 12 LYS HG3 . 10297 1 73 . 1 1 12 12 LYS C C 13 177.722 0.300 . 1 . . . . 12 LYS C . 10297 1 74 . 1 1 12 12 LYS CA C 13 58.842 0.300 . 1 . . . . 12 LYS CA . 10297 1 75 . 1 1 12 12 LYS CB C 13 32.388 0.300 . 1 . . . . 12 LYS CB . 10297 1 76 . 1 1 12 12 LYS CD C 13 29.318 0.300 . 1 . . . . 12 LYS CD . 10297 1 77 . 1 1 12 12 LYS CE C 13 41.904 0.300 . 1 . . . . 12 LYS CE . 10297 1 78 . 1 1 12 12 LYS CG C 13 25.321 0.300 . 1 . . . . 12 LYS CG . 10297 1 79 . 1 1 12 12 LYS N N 15 118.575 0.300 . 1 . . . . 12 LYS N . 10297 1 80 . 1 1 13 13 ASN H H 1 8.076 0.030 . 1 . . . . 13 ASN H . 10297 1 81 . 1 1 13 13 ASN HA H 1 4.597 0.030 . 1 . . . . 13 ASN HA . 10297 1 82 . 1 1 13 13 ASN HB2 H 1 2.841 0.030 . 2 . . . . 13 ASN HB2 . 10297 1 83 . 1 1 13 13 ASN HB3 H 1 2.786 0.030 . 2 . . . . 13 ASN HB3 . 10297 1 84 . 1 1 13 13 ASN HD21 H 1 7.613 0.030 . 2 . . . . 13 ASN HD21 . 10297 1 85 . 1 1 13 13 ASN HD22 H 1 6.999 0.030 . 2 . . . . 13 ASN HD22 . 10297 1 86 . 1 1 13 13 ASN C C 13 176.702 0.300 . 1 . . . . 13 ASN C . 10297 1 87 . 1 1 13 13 ASN CA C 13 54.525 0.300 . 1 . . . . 13 ASN CA . 10297 1 88 . 1 1 13 13 ASN CB C 13 38.035 0.300 . 1 . . . . 13 ASN CB . 10297 1 89 . 1 1 13 13 ASN N N 15 117.381 0.300 . 1 . . . . 13 ASN N . 10297 1 90 . 1 1 13 13 ASN ND2 N 15 111.745 0.300 . 1 . . . . 13 ASN ND2 . 10297 1 91 . 1 1 14 14 LEU H H 1 7.948 0.030 . 1 . . . . 14 LEU H . 10297 1 92 . 1 1 14 14 LEU HA H 1 4.099 0.030 . 1 . . . . 14 LEU HA . 10297 1 93 . 1 1 14 14 LEU HB2 H 1 1.631 0.030 . 2 . . . . 14 LEU HB2 . 10297 1 94 . 1 1 14 14 LEU HB3 H 1 1.480 0.030 . 2 . . . . 14 LEU HB3 . 10297 1 95 . 1 1 14 14 LEU HD11 H 1 0.817 0.030 . 1 . . . . 14 LEU HD1 . 10297 1 96 . 1 1 14 14 LEU HD12 H 1 0.817 0.030 . 1 . . . . 14 LEU HD1 . 10297 1 97 . 1 1 14 14 LEU HD13 H 1 0.817 0.030 . 1 . . . . 14 LEU HD1 . 10297 1 98 . 1 1 14 14 LEU HD21 H 1 0.881 0.030 . 1 . . . . 14 LEU HD2 . 10297 1 99 . 1 1 14 14 LEU HD22 H 1 0.881 0.030 . 1 . . . . 14 LEU HD2 . 10297 1 100 . 1 1 14 14 LEU HD23 H 1 0.881 0.030 . 1 . . . . 14 LEU HD2 . 10297 1 101 . 1 1 14 14 LEU HG H 1 1.517 0.030 . 1 . . . . 14 LEU HG . 10297 1 102 . 1 1 14 14 LEU C C 13 177.868 0.300 . 1 . . . . 14 LEU C . 10297 1 103 . 1 1 14 14 LEU CA C 13 56.861 0.300 . 1 . . . . 14 LEU CA . 10297 1 104 . 1 1 14 14 LEU CB C 13 42.012 0.300 . 1 . . . . 14 LEU CB . 10297 1 105 . 1 1 14 14 LEU CD1 C 13 24.211 0.300 . 2 . . . . 14 LEU CD1 . 10297 1 106 . 1 1 14 14 LEU CD2 C 13 24.644 0.300 . 2 . . . . 14 LEU CD2 . 10297 1 107 . 1 1 14 14 LEU CG C 13 27.145 0.300 . 1 . . . . 14 LEU CG . 10297 1 108 . 1 1 14 14 LEU N N 15 121.775 0.300 . 1 . . . . 14 LEU N . 10297 1 109 . 1 1 15 15 LEU H H 1 7.996 0.030 . 1 . . . . 15 LEU H . 10297 1 110 . 1 1 15 15 LEU HA H 1 3.705 0.030 . 1 . . . . 15 LEU HA . 10297 1 111 . 1 1 15 15 LEU HB2 H 1 1.503 0.030 . 2 . . . . 15 LEU HB2 . 10297 1 112 . 1 1 15 15 LEU HB3 H 1 1.692 0.030 . 2 . . . . 15 LEU HB3 . 10297 1 113 . 1 1 15 15 LEU HD11 H 1 0.821 0.030 . 1 . . . . 15 LEU HD1 . 10297 1 114 . 1 1 15 15 LEU HD12 H 1 0.821 0.030 . 1 . . . . 15 LEU HD1 . 10297 1 115 . 1 1 15 15 LEU HD13 H 1 0.821 0.030 . 1 . . . . 15 LEU HD1 . 10297 1 116 . 1 1 15 15 LEU HD21 H 1 0.706 0.030 . 1 . . . . 15 LEU HD2 . 10297 1 117 . 1 1 15 15 LEU HD22 H 1 0.706 0.030 . 1 . . . . 15 LEU HD2 . 10297 1 118 . 1 1 15 15 LEU HD23 H 1 0.706 0.030 . 1 . . . . 15 LEU HD2 . 10297 1 119 . 1 1 15 15 LEU HG H 1 1.590 0.030 . 1 . . . . 15 LEU HG . 10297 1 120 . 1 1 15 15 LEU C C 13 178.887 0.300 . 1 . . . . 15 LEU C . 10297 1 121 . 1 1 15 15 LEU CA C 13 58.201 0.300 . 1 . . . . 15 LEU CA . 10297 1 122 . 1 1 15 15 LEU CB C 13 41.067 0.300 . 1 . . . . 15 LEU CB . 10297 1 123 . 1 1 15 15 LEU CD1 C 13 24.504 0.300 . 2 . . . . 15 LEU CD1 . 10297 1 124 . 1 1 15 15 LEU CD2 C 13 23.548 0.300 . 2 . . . . 15 LEU CD2 . 10297 1 125 . 1 1 15 15 LEU CG C 13 26.976 0.300 . 1 . . . . 15 LEU CG . 10297 1 126 . 1 1 15 15 LEU N N 15 119.072 0.300 . 1 . . . . 15 LEU N . 10297 1 127 . 1 1 16 16 SER H H 1 7.968 0.030 . 1 . . . . 16 SER H . 10297 1 128 . 1 1 16 16 SER HA H 1 4.064 0.030 . 1 . . . . 16 SER HA . 10297 1 129 . 1 1 16 16 SER HB2 H 1 3.874 0.030 . 2 . . . . 16 SER HB2 . 10297 1 130 . 1 1 16 16 SER HB3 H 1 3.922 0.030 . 2 . . . . 16 SER HB3 . 10297 1 131 . 1 1 16 16 SER C C 13 176.897 0.300 . 1 . . . . 16 SER C . 10297 1 132 . 1 1 16 16 SER CA C 13 61.915 0.300 . 1 . . . . 16 SER CA . 10297 1 133 . 1 1 16 16 SER CB C 13 62.496 0.300 . 1 . . . . 16 SER CB . 10297 1 134 . 1 1 16 16 SER N N 15 113.400 0.300 . 1 . . . . 16 SER N . 10297 1 135 . 1 1 17 17 LEU H H 1 7.487 0.030 . 1 . . . . 17 LEU H . 10297 1 136 . 1 1 17 17 LEU HA H 1 3.980 0.030 . 1 . . . . 17 LEU HA . 10297 1 137 . 1 1 17 17 LEU HB2 H 1 1.666 0.030 . 2 . . . . 17 LEU HB2 . 10297 1 138 . 1 1 17 17 LEU HB3 H 1 1.549 0.030 . 2 . . . . 17 LEU HB3 . 10297 1 139 . 1 1 17 17 LEU HG H 1 1.348 0.030 . 1 . . . . 17 LEU HG . 10297 1 140 . 1 1 17 17 LEU C C 13 178.547 0.300 . 1 . . . . 17 LEU C . 10297 1 141 . 1 1 17 17 LEU CA C 13 58.205 0.300 . 1 . . . . 17 LEU CA . 10297 1 142 . 1 1 17 17 LEU CB C 13 41.973 0.300 . 1 . . . . 17 LEU CB . 10297 1 143 . 1 1 17 17 LEU N N 15 122.840 0.300 . 1 . . . . 17 LEU N . 10297 1 144 . 1 1 18 18 LEU H H 1 7.950 0.030 . 1 . . . . 18 LEU H . 10297 1 145 . 1 1 18 18 LEU HA H 1 3.982 0.030 . 1 . . . . 18 LEU HA . 10297 1 146 . 1 1 18 18 LEU HB2 H 1 0.852 0.030 . 2 . . . . 18 LEU HB2 . 10297 1 147 . 1 1 18 18 LEU HD11 H 1 0.136 0.030 . 1 . . . . 18 LEU HD1 . 10297 1 148 . 1 1 18 18 LEU HD12 H 1 0.136 0.030 . 1 . . . . 18 LEU HD1 . 10297 1 149 . 1 1 18 18 LEU HD13 H 1 0.136 0.030 . 1 . . . . 18 LEU HD1 . 10297 1 150 . 1 1 18 18 LEU HD21 H 1 0.593 0.030 . 1 . . . . 18 LEU HD2 . 10297 1 151 . 1 1 18 18 LEU HD22 H 1 0.593 0.030 . 1 . . . . 18 LEU HD2 . 10297 1 152 . 1 1 18 18 LEU HD23 H 1 0.593 0.030 . 1 . . . . 18 LEU HD2 . 10297 1 153 . 1 1 18 18 LEU HG H 1 1.405 0.030 . 1 . . . . 18 LEU HG . 10297 1 154 . 1 1 18 18 LEU C C 13 178.645 0.300 . 1 . . . . 18 LEU C . 10297 1 155 . 1 1 18 18 LEU CA C 13 58.203 0.300 . 1 . . . . 18 LEU CA . 10297 1 156 . 1 1 18 18 LEU CB C 13 38.932 0.300 . 1 . . . . 18 LEU CB . 10297 1 157 . 1 1 18 18 LEU CD1 C 13 25.058 0.300 . 2 . . . . 18 LEU CD1 . 10297 1 158 . 1 1 18 18 LEU CD2 C 13 22.608 0.300 . 2 . . . . 18 LEU CD2 . 10297 1 159 . 1 1 18 18 LEU CG C 13 26.416 0.300 . 1 . . . . 18 LEU CG . 10297 1 160 . 1 1 18 18 LEU N N 15 118.407 0.300 . 1 . . . . 18 LEU N . 10297 1 161 . 1 1 19 19 LYS H H 1 8.352 0.030 . 1 . . . . 19 LYS H . 10297 1 162 . 1 1 19 19 LYS HA H 1 4.051 0.030 . 1 . . . . 19 LYS HA . 10297 1 163 . 1 1 19 19 LYS HB2 H 1 1.921 0.030 . 1 . . . . 19 LYS HB2 . 10297 1 164 . 1 1 19 19 LYS HB3 H 1 1.921 0.030 . 1 . . . . 19 LYS HB3 . 10297 1 165 . 1 1 19 19 LYS HD2 H 1 1.692 0.030 . 2 . . . . 19 LYS HD2 . 10297 1 166 . 1 1 19 19 LYS HE2 H 1 2.966 0.030 . 2 . . . . 19 LYS HE2 . 10297 1 167 . 1 1 19 19 LYS HG2 H 1 1.492 0.030 . 2 . . . . 19 LYS HG2 . 10297 1 168 . 1 1 19 19 LYS HG3 H 1 1.719 0.030 . 2 . . . . 19 LYS HG3 . 10297 1 169 . 1 1 19 19 LYS C C 13 178.960 0.300 . 1 . . . . 19 LYS C . 10297 1 170 . 1 1 19 19 LYS CA C 13 60.537 0.300 . 1 . . . . 19 LYS CA . 10297 1 171 . 1 1 19 19 LYS CB C 13 32.332 0.300 . 1 . . . . 19 LYS CB . 10297 1 172 . 1 1 19 19 LYS CD C 13 29.707 0.300 . 1 . . . . 19 LYS CD . 10297 1 173 . 1 1 19 19 LYS CE C 13 42.099 0.300 . 1 . . . . 19 LYS CE . 10297 1 174 . 1 1 19 19 LYS CG C 13 26.329 0.300 . 1 . . . . 19 LYS CG . 10297 1 175 . 1 1 19 19 LYS N N 15 118.242 0.300 . 1 . . . . 19 LYS N . 10297 1 176 . 1 1 20 20 ALA H H 1 7.717 0.030 . 1 . . . . 20 ALA H . 10297 1 177 . 1 1 20 20 ALA HA H 1 4.202 0.030 . 1 . . . . 20 ALA HA . 10297 1 178 . 1 1 20 20 ALA HB1 H 1 1.349 0.030 . 1 . . . . 20 ALA HB . 10297 1 179 . 1 1 20 20 ALA HB2 H 1 1.349 0.030 . 1 . . . . 20 ALA HB . 10297 1 180 . 1 1 20 20 ALA HB3 H 1 1.349 0.030 . 1 . . . . 20 ALA HB . 10297 1 181 . 1 1 20 20 ALA C C 13 180.732 0.300 . 1 . . . . 20 ALA C . 10297 1 182 . 1 1 20 20 ALA CA C 13 54.879 0.300 . 1 . . . . 20 ALA CA . 10297 1 183 . 1 1 20 20 ALA CB C 13 17.608 0.300 . 1 . . . . 20 ALA CB . 10297 1 184 . 1 1 20 20 ALA N N 15 122.505 0.300 . 1 . . . . 20 ALA N . 10297 1 185 . 1 1 21 21 TYR HA H 1 4.236 0.030 . 1 . . . . 21 TYR HA . 10297 1 186 . 1 1 21 21 TYR HB2 H 1 3.351 0.030 . 2 . . . . 21 TYR HB2 . 10297 1 187 . 1 1 21 21 TYR HB3 H 1 3.195 0.030 . 2 . . . . 21 TYR HB3 . 10297 1 188 . 1 1 21 21 TYR HD1 H 1 7.148 0.030 . 1 . . . . 21 TYR HD1 . 10297 1 189 . 1 1 21 21 TYR HD2 H 1 7.148 0.030 . 1 . . . . 21 TYR HD2 . 10297 1 190 . 1 1 21 21 TYR HE1 H 1 6.685 0.030 . 1 . . . . 21 TYR HE1 . 10297 1 191 . 1 1 21 21 TYR HE2 H 1 6.685 0.030 . 1 . . . . 21 TYR HE2 . 10297 1 192 . 1 1 21 21 TYR C C 13 178.839 0.300 . 1 . . . . 21 TYR C . 10297 1 193 . 1 1 21 21 TYR CA C 13 63.047 0.300 . 1 . . . . 21 TYR CA . 10297 1 194 . 1 1 21 21 TYR CB C 13 38.388 0.300 . 1 . . . . 21 TYR CB . 10297 1 195 . 1 1 21 21 TYR CD1 C 13 133.321 0.300 . 1 . . . . 21 TYR CD1 . 10297 1 196 . 1 1 21 21 TYR CD2 C 13 133.321 0.300 . 1 . . . . 21 TYR CD2 . 10297 1 197 . 1 1 21 21 TYR CE1 C 13 118.079 0.300 . 1 . . . . 21 TYR CE1 . 10297 1 198 . 1 1 21 21 TYR CE2 C 13 118.079 0.300 . 1 . . . . 21 TYR CE2 . 10297 1 199 . 1 1 22 22 TYR H H 1 8.857 0.030 . 1 . . . . 22 TYR H . 10297 1 200 . 1 1 22 22 TYR HA H 1 4.305 0.030 . 1 . . . . 22 TYR HA . 10297 1 201 . 1 1 22 22 TYR HB2 H 1 3.112 0.030 . 2 . . . . 22 TYR HB2 . 10297 1 202 . 1 1 22 22 TYR HB3 H 1 3.185 0.030 . 2 . . . . 22 TYR HB3 . 10297 1 203 . 1 1 22 22 TYR HD1 H 1 7.026 0.030 . 1 . . . . 22 TYR HD1 . 10297 1 204 . 1 1 22 22 TYR HD2 H 1 7.026 0.030 . 1 . . . . 22 TYR HD2 . 10297 1 205 . 1 1 22 22 TYR HE1 H 1 6.796 0.030 . 1 . . . . 22 TYR HE1 . 10297 1 206 . 1 1 22 22 TYR HE2 H 1 6.796 0.030 . 1 . . . . 22 TYR HE2 . 10297 1 207 . 1 1 22 22 TYR C C 13 176.338 0.300 . 1 . . . . 22 TYR C . 10297 1 208 . 1 1 22 22 TYR CA C 13 61.389 0.300 . 1 . . . . 22 TYR CA . 10297 1 209 . 1 1 22 22 TYR CB C 13 38.790 0.300 . 1 . . . . 22 TYR CB . 10297 1 210 . 1 1 22 22 TYR CD1 C 13 133.085 0.300 . 1 . . . . 22 TYR CD1 . 10297 1 211 . 1 1 22 22 TYR CD2 C 13 133.085 0.300 . 1 . . . . 22 TYR CD2 . 10297 1 212 . 1 1 22 22 TYR CE1 C 13 118.621 0.300 . 1 . . . . 22 TYR CE1 . 10297 1 213 . 1 1 22 22 TYR CE2 C 13 118.621 0.300 . 1 . . . . 22 TYR CE2 . 10297 1 214 . 1 1 22 22 TYR N N 15 122.639 0.300 . 1 . . . . 22 TYR N . 10297 1 215 . 1 1 23 23 ALA H H 1 7.762 0.030 . 1 . . . . 23 ALA H . 10297 1 216 . 1 1 23 23 ALA HA H 1 4.047 0.030 . 1 . . . . 23 ALA HA . 10297 1 217 . 1 1 23 23 ALA HB1 H 1 1.480 0.030 . 1 . . . . 23 ALA HB . 10297 1 218 . 1 1 23 23 ALA HB2 H 1 1.480 0.030 . 1 . . . . 23 ALA HB . 10297 1 219 . 1 1 23 23 ALA HB3 H 1 1.480 0.030 . 1 . . . . 23 ALA HB . 10297 1 220 . 1 1 23 23 ALA C C 13 179.179 0.300 . 1 . . . . 23 ALA C . 10297 1 221 . 1 1 23 23 ALA CA C 13 53.906 0.300 . 1 . . . . 23 ALA CA . 10297 1 222 . 1 1 23 23 ALA CB C 13 18.328 0.300 . 1 . . . . 23 ALA CB . 10297 1 223 . 1 1 23 23 ALA N N 15 117.361 0.300 . 1 . . . . 23 ALA N . 10297 1 224 . 1 1 24 24 LEU H H 1 7.267 0.030 . 1 . . . . 24 LEU H . 10297 1 225 . 1 1 24 24 LEU HA H 1 4.210 0.030 . 1 . . . . 24 LEU HA . 10297 1 226 . 1 1 24 24 LEU HB2 H 1 1.665 0.030 . 2 . . . . 24 LEU HB2 . 10297 1 227 . 1 1 24 24 LEU HB3 H 1 1.854 0.030 . 2 . . . . 24 LEU HB3 . 10297 1 228 . 1 1 24 24 LEU HD11 H 1 0.875 0.030 . 1 . . . . 24 LEU HD1 . 10297 1 229 . 1 1 24 24 LEU HD12 H 1 0.875 0.030 . 1 . . . . 24 LEU HD1 . 10297 1 230 . 1 1 24 24 LEU HD13 H 1 0.875 0.030 . 1 . . . . 24 LEU HD1 . 10297 1 231 . 1 1 24 24 LEU HD21 H 1 0.858 0.030 . 1 . . . . 24 LEU HD2 . 10297 1 232 . 1 1 24 24 LEU HD22 H 1 0.858 0.030 . 1 . . . . 24 LEU HD2 . 10297 1 233 . 1 1 24 24 LEU HD23 H 1 0.858 0.030 . 1 . . . . 24 LEU HD2 . 10297 1 234 . 1 1 24 24 LEU HG H 1 1.743 0.030 . 1 . . . . 24 LEU HG . 10297 1 235 . 1 1 24 24 LEU C C 13 177.673 0.300 . 1 . . . . 24 LEU C . 10297 1 236 . 1 1 24 24 LEU CA C 13 56.382 0.300 . 1 . . . . 24 LEU CA . 10297 1 237 . 1 1 24 24 LEU CB C 13 42.933 0.300 . 1 . . . . 24 LEU CB . 10297 1 238 . 1 1 24 24 LEU CD1 C 13 25.644 0.300 . 2 . . . . 24 LEU CD1 . 10297 1 239 . 1 1 24 24 LEU CD2 C 13 23.883 0.300 . 2 . . . . 24 LEU CD2 . 10297 1 240 . 1 1 24 24 LEU CG C 13 26.827 0.300 . 1 . . . . 24 LEU CG . 10297 1 241 . 1 1 24 24 LEU N N 15 117.259 0.300 . 1 . . . . 24 LEU N . 10297 1 242 . 1 1 25 25 ASN H H 1 7.862 0.030 . 1 . . . . 25 ASN H . 10297 1 243 . 1 1 25 25 ASN HA H 1 4.466 0.030 . 1 . . . . 25 ASN HA . 10297 1 244 . 1 1 25 25 ASN HB2 H 1 2.837 0.030 . 2 . . . . 25 ASN HB2 . 10297 1 245 . 1 1 25 25 ASN HB3 H 1 2.777 0.030 . 2 . . . . 25 ASN HB3 . 10297 1 246 . 1 1 25 25 ASN HD21 H 1 7.697 0.030 . 2 . . . . 25 ASN HD21 . 10297 1 247 . 1 1 25 25 ASN HD22 H 1 6.517 0.030 . 2 . . . . 25 ASN HD22 . 10297 1 248 . 1 1 25 25 ASN C C 13 173.036 0.300 . 1 . . . . 25 ASN C . 10297 1 249 . 1 1 25 25 ASN CA C 13 53.077 0.300 . 1 . . . . 25 ASN CA . 10297 1 250 . 1 1 25 25 ASN CB C 13 37.853 0.300 . 1 . . . . 25 ASN CB . 10297 1 251 . 1 1 25 25 ASN N N 15 116.521 0.300 . 1 . . . . 25 ASN N . 10297 1 252 . 1 1 25 25 ASN ND2 N 15 110.434 0.300 . 1 . . . . 25 ASN ND2 . 10297 1 253 . 1 1 26 26 ALA H H 1 8.283 0.030 . 1 . . . . 26 ALA H . 10297 1 254 . 1 1 26 26 ALA HA H 1 3.905 0.030 . 1 . . . . 26 ALA HA . 10297 1 255 . 1 1 26 26 ALA HB1 H 1 1.127 0.030 . 1 . . . . 26 ALA HB . 10297 1 256 . 1 1 26 26 ALA HB2 H 1 1.127 0.030 . 1 . . . . 26 ALA HB . 10297 1 257 . 1 1 26 26 ALA HB3 H 1 1.127 0.030 . 1 . . . . 26 ALA HB . 10297 1 258 . 1 1 26 26 ALA C C 13 177.212 0.300 . 1 . . . . 26 ALA C . 10297 1 259 . 1 1 26 26 ALA CA C 13 53.323 0.300 . 1 . . . . 26 ALA CA . 10297 1 260 . 1 1 26 26 ALA CB C 13 19.548 0.300 . 1 . . . . 26 ALA CB . 10297 1 261 . 1 1 26 26 ALA N N 15 126.202 0.300 . 1 . . . . 26 ALA N . 10297 1 262 . 1 1 27 27 GLN H H 1 7.729 0.030 . 1 . . . . 27 GLN H . 10297 1 263 . 1 1 27 27 GLN HA H 1 4.619 0.030 . 1 . . . . 27 GLN HA . 10297 1 264 . 1 1 27 27 GLN HB2 H 1 2.063 0.030 . 2 . . . . 27 GLN HB2 . 10297 1 265 . 1 1 27 27 GLN HB3 H 1 1.823 0.030 . 2 . . . . 27 GLN HB3 . 10297 1 266 . 1 1 27 27 GLN HE21 H 1 6.801 0.030 . 2 . . . . 27 GLN HE21 . 10297 1 267 . 1 1 27 27 GLN HE22 H 1 7.501 0.030 . 2 . . . . 27 GLN HE22 . 10297 1 268 . 1 1 27 27 GLN HG2 H 1 2.253 0.030 . 1 . . . . 27 GLN HG2 . 10297 1 269 . 1 1 27 27 GLN HG3 H 1 2.253 0.030 . 1 . . . . 27 GLN HG3 . 10297 1 270 . 1 1 27 27 GLN C C 13 172.090 0.300 . 1 . . . . 27 GLN C . 10297 1 271 . 1 1 27 27 GLN CA C 13 52.706 0.300 . 1 . . . . 27 GLN CA . 10297 1 272 . 1 1 27 27 GLN CB C 13 29.636 0.300 . 1 . . . . 27 GLN CB . 10297 1 273 . 1 1 27 27 GLN CG C 13 33.729 0.300 . 1 . . . . 27 GLN CG . 10297 1 274 . 1 1 27 27 GLN N N 15 113.721 0.300 . 1 . . . . 27 GLN N . 10297 1 275 . 1 1 27 27 GLN NE2 N 15 111.647 0.300 . 1 . . . . 27 GLN NE2 . 10297 1 276 . 1 1 28 28 PRO HA H 1 4.485 0.030 . 1 . . . . 28 PRO HA . 10297 1 277 . 1 1 28 28 PRO HB2 H 1 1.597 0.030 . 2 . . . . 28 PRO HB2 . 10297 1 278 . 1 1 28 28 PRO HB3 H 1 1.829 0.030 . 2 . . . . 28 PRO HB3 . 10297 1 279 . 1 1 28 28 PRO HD2 H 1 3.150 0.030 . 2 . . . . 28 PRO HD2 . 10297 1 280 . 1 1 28 28 PRO HD3 H 1 3.360 0.030 . 2 . . . . 28 PRO HD3 . 10297 1 281 . 1 1 28 28 PRO HG2 H 1 1.129 0.030 . 2 . . . . 28 PRO HG2 . 10297 1 282 . 1 1 28 28 PRO HG3 H 1 0.853 0.030 . 2 . . . . 28 PRO HG3 . 10297 1 283 . 1 1 28 28 PRO C C 13 177.018 0.300 . 1 . . . . 28 PRO C . 10297 1 284 . 1 1 28 28 PRO CA C 13 62.562 0.300 . 1 . . . . 28 PRO CA . 10297 1 285 . 1 1 28 28 PRO CB C 13 31.813 0.300 . 1 . . . . 28 PRO CB . 10297 1 286 . 1 1 28 28 PRO CD C 13 50.460 0.300 . 1 . . . . 28 PRO CD . 10297 1 287 . 1 1 28 28 PRO CG C 13 26.922 0.300 . 1 . . . . 28 PRO CG . 10297 1 288 . 1 1 29 29 SER H H 1 9.097 0.030 . 1 . . . . 29 SER H . 10297 1 289 . 1 1 29 29 SER HA H 1 4.398 0.030 . 1 . . . . 29 SER HA . 10297 1 290 . 1 1 29 29 SER HB2 H 1 4.034 0.030 . 2 . . . . 29 SER HB2 . 10297 1 291 . 1 1 29 29 SER HB3 H 1 4.391 0.030 . 2 . . . . 29 SER HB3 . 10297 1 292 . 1 1 29 29 SER C C 13 174.372 0.300 . 1 . . . . 29 SER C . 10297 1 293 . 1 1 29 29 SER CA C 13 56.986 0.300 . 1 . . . . 29 SER CA . 10297 1 294 . 1 1 29 29 SER CB C 13 65.661 0.300 . 1 . . . . 29 SER CB . 10297 1 295 . 1 1 29 29 SER N N 15 118.156 0.300 . 1 . . . . 29 SER N . 10297 1 296 . 1 1 30 30 ALA H H 1 8.916 0.030 . 1 . . . . 30 ALA H . 10297 1 297 . 1 1 30 30 ALA HA H 1 3.965 0.030 . 1 . . . . 30 ALA HA . 10297 1 298 . 1 1 30 30 ALA HB1 H 1 1.450 0.030 . 1 . . . . 30 ALA HB . 10297 1 299 . 1 1 30 30 ALA HB2 H 1 1.450 0.030 . 1 . . . . 30 ALA HB . 10297 1 300 . 1 1 30 30 ALA HB3 H 1 1.450 0.030 . 1 . . . . 30 ALA HB . 10297 1 301 . 1 1 30 30 ALA C C 13 180.732 0.300 . 1 . . . . 30 ALA C . 10297 1 302 . 1 1 30 30 ALA CA C 13 56.044 0.300 . 1 . . . . 30 ALA CA . 10297 1 303 . 1 1 30 30 ALA CB C 13 17.925 0.300 . 1 . . . . 30 ALA CB . 10297 1 304 . 1 1 30 30 ALA N N 15 123.162 0.300 . 1 . . . . 30 ALA N . 10297 1 305 . 1 1 31 31 GLU H H 1 8.591 0.030 . 1 . . . . 31 GLU H . 10297 1 306 . 1 1 31 31 GLU HA H 1 4.011 0.030 . 1 . . . . 31 GLU HA . 10297 1 307 . 1 1 31 31 GLU HB2 H 1 1.889 0.030 . 2 . . . . 31 GLU HB2 . 10297 1 308 . 1 1 31 31 GLU HB3 H 1 2.045 0.030 . 2 . . . . 31 GLU HB3 . 10297 1 309 . 1 1 31 31 GLU HG2 H 1 2.286 0.030 . 2 . . . . 31 GLU HG2 . 10297 1 310 . 1 1 31 31 GLU C C 13 179.519 0.300 . 1 . . . . 31 GLU C . 10297 1 311 . 1 1 31 31 GLU CA C 13 59.788 0.300 . 1 . . . . 31 GLU CA . 10297 1 312 . 1 1 31 31 GLU CB C 13 29.349 0.300 . 1 . . . . 31 GLU CB . 10297 1 313 . 1 1 31 31 GLU CG C 13 36.782 0.300 . 1 . . . . 31 GLU CG . 10297 1 314 . 1 1 31 31 GLU N N 15 118.280 0.300 . 1 . . . . 31 GLU N . 10297 1 315 . 1 1 32 32 GLU H H 1 7.702 0.030 . 1 . . . . 32 GLU H . 10297 1 316 . 1 1 32 32 GLU HA H 1 3.844 0.030 . 1 . . . . 32 GLU HA . 10297 1 317 . 1 1 32 32 GLU HB2 H 1 1.863 0.030 . 2 . . . . 32 GLU HB2 . 10297 1 318 . 1 1 32 32 GLU HB3 H 1 2.220 0.030 . 2 . . . . 32 GLU HB3 . 10297 1 319 . 1 1 32 32 GLU HG2 H 1 2.277 0.030 . 2 . . . . 32 GLU HG2 . 10297 1 320 . 1 1 32 32 GLU C C 13 179.446 0.300 . 1 . . . . 32 GLU C . 10297 1 321 . 1 1 32 32 GLU CA C 13 59.408 0.300 . 1 . . . . 32 GLU CA . 10297 1 322 . 1 1 32 32 GLU CB C 13 29.829 0.300 . 1 . . . . 32 GLU CB . 10297 1 323 . 1 1 32 32 GLU CG C 13 37.546 0.300 . 1 . . . . 32 GLU CG . 10297 1 324 . 1 1 32 32 GLU N N 15 121.025 0.300 . 1 . . . . 32 GLU N . 10297 1 325 . 1 1 33 33 LEU H H 1 8.679 0.030 . 1 . . . . 33 LEU H . 10297 1 326 . 1 1 33 33 LEU HA H 1 3.645 0.030 . 1 . . . . 33 LEU HA . 10297 1 327 . 1 1 33 33 LEU HB2 H 1 1.146 0.030 . 2 . . . . 33 LEU HB2 . 10297 1 328 . 1 1 33 33 LEU HB3 H 1 1.826 0.030 . 2 . . . . 33 LEU HB3 . 10297 1 329 . 1 1 33 33 LEU HD11 H 1 0.625 0.030 . 1 . . . . 33 LEU HD1 . 10297 1 330 . 1 1 33 33 LEU HD12 H 1 0.625 0.030 . 1 . . . . 33 LEU HD1 . 10297 1 331 . 1 1 33 33 LEU HD13 H 1 0.625 0.030 . 1 . . . . 33 LEU HD1 . 10297 1 332 . 1 1 33 33 LEU HD21 H 1 0.308 0.030 . 1 . . . . 33 LEU HD2 . 10297 1 333 . 1 1 33 33 LEU HD22 H 1 0.308 0.030 . 1 . . . . 33 LEU HD2 . 10297 1 334 . 1 1 33 33 LEU HD23 H 1 0.308 0.030 . 1 . . . . 33 LEU HD2 . 10297 1 335 . 1 1 33 33 LEU HG H 1 1.300 0.030 . 1 . . . . 33 LEU HG . 10297 1 336 . 1 1 33 33 LEU C C 13 178.378 0.300 . 1 . . . . 33 LEU C . 10297 1 337 . 1 1 33 33 LEU CA C 13 58.218 0.300 . 1 . . . . 33 LEU CA . 10297 1 338 . 1 1 33 33 LEU CB C 13 42.339 0.300 . 1 . . . . 33 LEU CB . 10297 1 339 . 1 1 33 33 LEU CD1 C 13 25.741 0.300 . 2 . . . . 33 LEU CD1 . 10297 1 340 . 1 1 33 33 LEU CD2 C 13 24.673 0.300 . 2 . . . . 33 LEU CD2 . 10297 1 341 . 1 1 33 33 LEU CG C 13 26.838 0.300 . 1 . . . . 33 LEU CG . 10297 1 342 . 1 1 33 33 LEU N N 15 119.993 0.300 . 1 . . . . 33 LEU N . 10297 1 343 . 1 1 34 34 SER H H 1 7.727 0.030 . 1 . . . . 34 SER H . 10297 1 344 . 1 1 34 34 SER HA H 1 4.116 0.030 . 1 . . . . 34 SER HA . 10297 1 345 . 1 1 34 34 SER HB2 H 1 3.994 0.030 . 2 . . . . 34 SER HB2 . 10297 1 346 . 1 1 34 34 SER HB3 H 1 3.949 0.030 . 2 . . . . 34 SER HB3 . 10297 1 347 . 1 1 34 34 SER C C 13 176.484 0.300 . 1 . . . . 34 SER C . 10297 1 348 . 1 1 34 34 SER CA C 13 62.063 0.300 . 1 . . . . 34 SER CA . 10297 1 349 . 1 1 34 34 SER CB C 13 62.725 0.300 . 1 . . . . 34 SER CB . 10297 1 350 . 1 1 34 34 SER N N 15 113.341 0.300 . 1 . . . . 34 SER N . 10297 1 351 . 1 1 35 35 LYS H H 1 7.525 0.030 . 1 . . . . 35 LYS H . 10297 1 352 . 1 1 35 35 LYS HA H 1 4.122 0.030 . 1 . . . . 35 LYS HA . 10297 1 353 . 1 1 35 35 LYS HB2 H 1 1.966 0.030 . 1 . . . . 35 LYS HB2 . 10297 1 354 . 1 1 35 35 LYS HB3 H 1 1.966 0.030 . 1 . . . . 35 LYS HB3 . 10297 1 355 . 1 1 35 35 LYS HD2 H 1 1.583 0.030 . 1 . . . . 35 LYS HD2 . 10297 1 356 . 1 1 35 35 LYS HD3 H 1 1.583 0.030 . 1 . . . . 35 LYS HD3 . 10297 1 357 . 1 1 35 35 LYS HE2 H 1 2.930 0.030 . 1 . . . . 35 LYS HE2 . 10297 1 358 . 1 1 35 35 LYS HE3 H 1 2.930 0.030 . 1 . . . . 35 LYS HE3 . 10297 1 359 . 1 1 35 35 LYS HG2 H 1 1.631 0.030 . 2 . . . . 35 LYS HG2 . 10297 1 360 . 1 1 35 35 LYS HG3 H 1 1.463 0.030 . 2 . . . . 35 LYS HG3 . 10297 1 361 . 1 1 35 35 LYS C C 13 180.368 0.300 . 1 . . . . 35 LYS C . 10297 1 362 . 1 1 35 35 LYS CA C 13 59.502 0.300 . 1 . . . . 35 LYS CA . 10297 1 363 . 1 1 35 35 LYS CB C 13 32.414 0.300 . 1 . . . . 35 LYS CB . 10297 1 364 . 1 1 35 35 LYS CD C 13 29.366 0.300 . 1 . . . . 35 LYS CD . 10297 1 365 . 1 1 35 35 LYS CE C 13 42.076 0.300 . 1 . . . . 35 LYS CE . 10297 1 366 . 1 1 35 35 LYS CG C 13 25.553 0.300 . 1 . . . . 35 LYS CG . 10297 1 367 . 1 1 35 35 LYS N N 15 120.812 0.300 . 1 . . . . 35 LYS N . 10297 1 368 . 1 1 36 36 ILE H H 1 8.219 0.030 . 1 . . . . 36 ILE H . 10297 1 369 . 1 1 36 36 ILE HA H 1 3.280 0.030 . 1 . . . . 36 ILE HA . 10297 1 370 . 1 1 36 36 ILE HB H 1 1.672 0.030 . 1 . . . . 36 ILE HB . 10297 1 371 . 1 1 36 36 ILE HD11 H 1 0.418 0.030 . 1 . . . . 36 ILE HD1 . 10297 1 372 . 1 1 36 36 ILE HD12 H 1 0.418 0.030 . 1 . . . . 36 ILE HD1 . 10297 1 373 . 1 1 36 36 ILE HD13 H 1 0.418 0.030 . 1 . . . . 36 ILE HD1 . 10297 1 374 . 1 1 36 36 ILE HG12 H 1 -0.040 0.030 . 2 . . . . 36 ILE HG12 . 10297 1 375 . 1 1 36 36 ILE HG13 H 1 1.508 0.030 . 2 . . . . 36 ILE HG13 . 10297 1 376 . 1 1 36 36 ILE HG21 H 1 0.427 0.030 . 1 . . . . 36 ILE HG2 . 10297 1 377 . 1 1 36 36 ILE HG22 H 1 0.427 0.030 . 1 . . . . 36 ILE HG2 . 10297 1 378 . 1 1 36 36 ILE HG23 H 1 0.427 0.030 . 1 . . . . 36 ILE HG2 . 10297 1 379 . 1 1 36 36 ILE C C 13 178.159 0.300 . 1 . . . . 36 ILE C . 10297 1 380 . 1 1 36 36 ILE CA C 13 65.794 0.300 . 1 . . . . 36 ILE CA . 10297 1 381 . 1 1 36 36 ILE CB C 13 38.008 0.300 . 1 . . . . 36 ILE CB . 10297 1 382 . 1 1 36 36 ILE CD1 C 13 13.715 0.300 . 1 . . . . 36 ILE CD1 . 10297 1 383 . 1 1 36 36 ILE CG1 C 13 28.365 0.300 . 1 . . . . 36 ILE CG1 . 10297 1 384 . 1 1 36 36 ILE CG2 C 13 16.883 0.300 . 1 . . . . 36 ILE CG2 . 10297 1 385 . 1 1 36 36 ILE N N 15 122.240 0.300 . 1 . . . . 36 ILE N . 10297 1 386 . 1 1 37 37 ALA H H 1 8.438 0.030 . 1 . . . . 37 ALA H . 10297 1 387 . 1 1 37 37 ALA HA H 1 3.862 0.030 . 1 . . . . 37 ALA HA . 10297 1 388 . 1 1 37 37 ALA HB1 H 1 1.545 0.030 . 1 . . . . 37 ALA HB . 10297 1 389 . 1 1 37 37 ALA HB2 H 1 1.545 0.030 . 1 . . . . 37 ALA HB . 10297 1 390 . 1 1 37 37 ALA HB3 H 1 1.545 0.030 . 1 . . . . 37 ALA HB . 10297 1 391 . 1 1 37 37 ALA C C 13 179.276 0.300 . 1 . . . . 37 ALA C . 10297 1 392 . 1 1 37 37 ALA CA C 13 56.223 0.300 . 1 . . . . 37 ALA CA . 10297 1 393 . 1 1 37 37 ALA CB C 13 17.186 0.300 . 1 . . . . 37 ALA CB . 10297 1 394 . 1 1 37 37 ALA N N 15 122.058 0.300 . 1 . . . . 37 ALA N . 10297 1 395 . 1 1 38 38 ASP H H 1 8.072 0.030 . 1 . . . . 38 ASP H . 10297 1 396 . 1 1 38 38 ASP HA H 1 4.495 0.030 . 1 . . . . 38 ASP HA . 10297 1 397 . 1 1 38 38 ASP HB2 H 1 2.796 0.030 . 2 . . . . 38 ASP HB2 . 10297 1 398 . 1 1 38 38 ASP HB3 H 1 2.658 0.030 . 2 . . . . 38 ASP HB3 . 10297 1 399 . 1 1 38 38 ASP C C 13 178.984 0.300 . 1 . . . . 38 ASP C . 10297 1 400 . 1 1 38 38 ASP CA C 13 56.857 0.300 . 1 . . . . 38 ASP CA . 10297 1 401 . 1 1 38 38 ASP CB C 13 40.813 0.300 . 1 . . . . 38 ASP CB . 10297 1 402 . 1 1 38 38 ASP N N 15 115.894 0.300 . 1 . . . . 38 ASP N . 10297 1 403 . 1 1 39 39 SER H H 1 7.954 0.030 . 1 . . . . 39 SER H . 10297 1 404 . 1 1 39 39 SER HA H 1 4.247 0.030 . 1 . . . . 39 SER HA . 10297 1 405 . 1 1 39 39 SER HB2 H 1 4.056 0.030 . 2 . . . . 39 SER HB2 . 10297 1 406 . 1 1 39 39 SER C C 13 175.610 0.300 . 1 . . . . 39 SER C . 10297 1 407 . 1 1 39 39 SER CA C 13 61.580 0.300 . 1 . . . . 39 SER CA . 10297 1 408 . 1 1 39 39 SER CB C 13 63.373 0.300 . 1 . . . . 39 SER CB . 10297 1 409 . 1 1 39 39 SER N N 15 114.432 0.300 . 1 . . . . 39 SER N . 10297 1 410 . 1 1 40 40 VAL H H 1 7.850 0.030 . 1 . . . . 40 VAL H . 10297 1 411 . 1 1 40 40 VAL HA H 1 4.456 0.030 . 1 . . . . 40 VAL HA . 10297 1 412 . 1 1 40 40 VAL HB H 1 2.429 0.030 . 1 . . . . 40 VAL HB . 10297 1 413 . 1 1 40 40 VAL HG11 H 1 0.944 0.030 . 1 . . . . 40 VAL HG1 . 10297 1 414 . 1 1 40 40 VAL HG12 H 1 0.944 0.030 . 1 . . . . 40 VAL HG1 . 10297 1 415 . 1 1 40 40 VAL HG13 H 1 0.944 0.030 . 1 . . . . 40 VAL HG1 . 10297 1 416 . 1 1 40 40 VAL HG21 H 1 0.888 0.030 . 1 . . . . 40 VAL HG2 . 10297 1 417 . 1 1 40 40 VAL HG22 H 1 0.888 0.030 . 1 . . . . 40 VAL HG2 . 10297 1 418 . 1 1 40 40 VAL HG23 H 1 0.888 0.030 . 1 . . . . 40 VAL HG2 . 10297 1 419 . 1 1 40 40 VAL C C 13 174.445 0.300 . 1 . . . . 40 VAL C . 10297 1 420 . 1 1 40 40 VAL CA C 13 60.913 0.300 . 1 . . . . 40 VAL CA . 10297 1 421 . 1 1 40 40 VAL CB C 13 31.778 0.300 . 1 . . . . 40 VAL CB . 10297 1 422 . 1 1 40 40 VAL CG1 C 13 22.279 0.300 . 2 . . . . 40 VAL CG1 . 10297 1 423 . 1 1 40 40 VAL CG2 C 13 19.316 0.300 . 2 . . . . 40 VAL CG2 . 10297 1 424 . 1 1 40 40 VAL N N 15 111.349 0.300 . 1 . . . . 40 VAL N . 10297 1 425 . 1 1 41 41 ASN H H 1 7.804 0.030 . 1 . . . . 41 ASN H . 10297 1 426 . 1 1 41 41 ASN HA H 1 4.348 0.030 . 1 . . . . 41 ASN HA . 10297 1 427 . 1 1 41 41 ASN HB2 H 1 2.669 0.030 . 2 . . . . 41 ASN HB2 . 10297 1 428 . 1 1 41 41 ASN HB3 H 1 3.221 0.030 . 2 . . . . 41 ASN HB3 . 10297 1 429 . 1 1 41 41 ASN HD21 H 1 7.489 0.030 . 2 . . . . 41 ASN HD21 . 10297 1 430 . 1 1 41 41 ASN HD22 H 1 6.804 0.030 . 2 . . . . 41 ASN HD22 . 10297 1 431 . 1 1 41 41 ASN C C 13 174.008 0.300 . 1 . . . . 41 ASN C . 10297 1 432 . 1 1 41 41 ASN CA C 13 54.066 0.300 . 1 . . . . 41 ASN CA . 10297 1 433 . 1 1 41 41 ASN CB C 13 37.225 0.300 . 1 . . . . 41 ASN CB . 10297 1 434 . 1 1 41 41 ASN N N 15 117.410 0.300 . 1 . . . . 41 ASN N . 10297 1 435 . 1 1 41 41 ASN ND2 N 15 111.879 0.300 . 1 . . . . 41 ASN ND2 . 10297 1 436 . 1 1 42 42 LEU H H 1 7.904 0.030 . 1 . . . . 42 LEU H . 10297 1 437 . 1 1 42 42 LEU HA H 1 5.001 0.030 . 1 . . . . 42 LEU HA . 10297 1 438 . 1 1 42 42 LEU HB2 H 1 1.208 0.030 . 2 . . . . 42 LEU HB2 . 10297 1 439 . 1 1 42 42 LEU HB3 H 1 1.168 0.030 . 2 . . . . 42 LEU HB3 . 10297 1 440 . 1 1 42 42 LEU HD11 H 1 0.694 0.030 . 1 . . . . 42 LEU HD1 . 10297 1 441 . 1 1 42 42 LEU HD12 H 1 0.694 0.030 . 1 . . . . 42 LEU HD1 . 10297 1 442 . 1 1 42 42 LEU HD13 H 1 0.694 0.030 . 1 . . . . 42 LEU HD1 . 10297 1 443 . 1 1 42 42 LEU HD21 H 1 0.981 0.030 . 1 . . . . 42 LEU HD2 . 10297 1 444 . 1 1 42 42 LEU HD22 H 1 0.981 0.030 . 1 . . . . 42 LEU HD2 . 10297 1 445 . 1 1 42 42 LEU HD23 H 1 0.981 0.030 . 1 . . . . 42 LEU HD2 . 10297 1 446 . 1 1 42 42 LEU HG H 1 1.586 0.030 . 1 . . . . 42 LEU HG . 10297 1 447 . 1 1 42 42 LEU C C 13 173.886 0.300 . 1 . . . . 42 LEU C . 10297 1 448 . 1 1 42 42 LEU CA C 13 51.484 0.300 . 1 . . . . 42 LEU CA . 10297 1 449 . 1 1 42 42 LEU CB C 13 45.928 0.300 . 1 . . . . 42 LEU CB . 10297 1 450 . 1 1 42 42 LEU CD1 C 13 26.253 0.300 . 2 . . . . 42 LEU CD1 . 10297 1 451 . 1 1 42 42 LEU CD2 C 13 23.317 0.300 . 2 . . . . 42 LEU CD2 . 10297 1 452 . 1 1 42 42 LEU CG C 13 26.199 0.300 . 1 . . . . 42 LEU CG . 10297 1 453 . 1 1 42 42 LEU N N 15 117.347 0.300 . 1 . . . . 42 LEU N . 10297 1 454 . 1 1 43 43 PRO HA H 1 4.423 0.030 . 1 . . . . 43 PRO HA . 10297 1 455 . 1 1 43 43 PRO HB2 H 1 1.887 0.030 . 2 . . . . 43 PRO HB2 . 10297 1 456 . 1 1 43 43 PRO HB3 H 1 2.522 0.030 . 2 . . . . 43 PRO HB3 . 10297 1 457 . 1 1 43 43 PRO HD2 H 1 3.336 0.030 . 2 . . . . 43 PRO HD2 . 10297 1 458 . 1 1 43 43 PRO HD3 H 1 3.927 0.030 . 2 . . . . 43 PRO HD3 . 10297 1 459 . 1 1 43 43 PRO HG2 H 1 2.160 0.030 . 2 . . . . 43 PRO HG2 . 10297 1 460 . 1 1 43 43 PRO HG3 H 1 2.047 0.030 . 2 . . . . 43 PRO HG3 . 10297 1 461 . 1 1 43 43 PRO C C 13 178.013 0.300 . 1 . . . . 43 PRO C . 10297 1 462 . 1 1 43 43 PRO CA C 13 62.234 0.300 . 1 . . . . 43 PRO CA . 10297 1 463 . 1 1 43 43 PRO CB C 13 32.616 0.300 . 1 . . . . 43 PRO CB . 10297 1 464 . 1 1 43 43 PRO CD C 13 50.805 0.300 . 1 . . . . 43 PRO CD . 10297 1 465 . 1 1 43 43 PRO CG C 13 28.032 0.300 . 1 . . . . 43 PRO CG . 10297 1 466 . 1 1 44 44 LEU H H 1 8.758 0.030 . 1 . . . . 44 LEU H . 10297 1 467 . 1 1 44 44 LEU HA H 1 3.780 0.030 . 1 . . . . 44 LEU HA . 10297 1 468 . 1 1 44 44 LEU HB2 H 1 1.761 0.030 . 2 . . . . 44 LEU HB2 . 10297 1 469 . 1 1 44 44 LEU HB3 H 1 1.641 0.030 . 2 . . . . 44 LEU HB3 . 10297 1 470 . 1 1 44 44 LEU HD11 H 1 0.845 0.030 . 1 . . . . 44 LEU HD1 . 10297 1 471 . 1 1 44 44 LEU HD12 H 1 0.845 0.030 . 1 . . . . 44 LEU HD1 . 10297 1 472 . 1 1 44 44 LEU HD13 H 1 0.845 0.030 . 1 . . . . 44 LEU HD1 . 10297 1 473 . 1 1 44 44 LEU HD21 H 1 0.906 0.030 . 1 . . . . 44 LEU HD2 . 10297 1 474 . 1 1 44 44 LEU HD22 H 1 0.906 0.030 . 1 . . . . 44 LEU HD2 . 10297 1 475 . 1 1 44 44 LEU HD23 H 1 0.906 0.030 . 1 . . . . 44 LEU HD2 . 10297 1 476 . 1 1 44 44 LEU HG H 1 1.515 0.030 . 1 . . . . 44 LEU HG . 10297 1 477 . 1 1 44 44 LEU C C 13 178.208 0.300 . 1 . . . . 44 LEU C . 10297 1 478 . 1 1 44 44 LEU CA C 13 58.592 0.300 . 1 . . . . 44 LEU CA . 10297 1 479 . 1 1 44 44 LEU CB C 13 41.747 0.300 . 1 . . . . 44 LEU CB . 10297 1 480 . 1 1 44 44 LEU CD1 C 13 23.563 0.300 . 2 . . . . 44 LEU CD1 . 10297 1 481 . 1 1 44 44 LEU CD2 C 13 25.434 0.300 . 2 . . . . 44 LEU CD2 . 10297 1 482 . 1 1 44 44 LEU CG C 13 27.205 0.300 . 1 . . . . 44 LEU CG . 10297 1 483 . 1 1 44 44 LEU N N 15 125.847 0.300 . 1 . . . . 44 LEU N . 10297 1 484 . 1 1 45 45 ASP H H 1 8.822 0.030 . 1 . . . . 45 ASP H . 10297 1 485 . 1 1 45 45 ASP HA H 1 4.270 0.030 . 1 . . . . 45 ASP HA . 10297 1 486 . 1 1 45 45 ASP HB2 H 1 2.594 0.030 . 1 . . . . 45 ASP HB2 . 10297 1 487 . 1 1 45 45 ASP HB3 H 1 2.594 0.030 . 1 . . . . 45 ASP HB3 . 10297 1 488 . 1 1 45 45 ASP C C 13 178.523 0.300 . 1 . . . . 45 ASP C . 10297 1 489 . 1 1 45 45 ASP CA C 13 57.621 0.300 . 1 . . . . 45 ASP CA . 10297 1 490 . 1 1 45 45 ASP CB C 13 40.612 0.300 . 1 . . . . 45 ASP CB . 10297 1 491 . 1 1 45 45 ASP N N 15 114.687 0.300 . 1 . . . . 45 ASP N . 10297 1 492 . 1 1 46 46 VAL H H 1 7.098 0.030 . 1 . . . . 46 VAL H . 10297 1 493 . 1 1 46 46 VAL HA H 1 3.707 0.030 . 1 . . . . 46 VAL HA . 10297 1 494 . 1 1 46 46 VAL HB H 1 2.227 0.030 . 1 . . . . 46 VAL HB . 10297 1 495 . 1 1 46 46 VAL HG11 H 1 1.001 0.030 . 1 . . . . 46 VAL HG1 . 10297 1 496 . 1 1 46 46 VAL HG12 H 1 1.001 0.030 . 1 . . . . 46 VAL HG1 . 10297 1 497 . 1 1 46 46 VAL HG13 H 1 1.001 0.030 . 1 . . . . 46 VAL HG1 . 10297 1 498 . 1 1 46 46 VAL HG21 H 1 1.098 0.030 . 1 . . . . 46 VAL HG2 . 10297 1 499 . 1 1 46 46 VAL HG22 H 1 1.098 0.030 . 1 . . . . 46 VAL HG2 . 10297 1 500 . 1 1 46 46 VAL HG23 H 1 1.098 0.030 . 1 . . . . 46 VAL HG2 . 10297 1 501 . 1 1 46 46 VAL C C 13 178.353 0.300 . 1 . . . . 46 VAL C . 10297 1 502 . 1 1 46 46 VAL CA C 13 65.770 0.300 . 1 . . . . 46 VAL CA . 10297 1 503 . 1 1 46 46 VAL CB C 13 32.179 0.300 . 1 . . . . 46 VAL CB . 10297 1 504 . 1 1 46 46 VAL CG1 C 13 21.433 0.300 . 2 . . . . 46 VAL CG1 . 10297 1 505 . 1 1 46 46 VAL CG2 C 13 22.617 0.300 . 2 . . . . 46 VAL CG2 . 10297 1 506 . 1 1 46 46 VAL N N 15 118.849 0.300 . 1 . . . . 46 VAL N . 10297 1 507 . 1 1 47 47 VAL H H 1 7.429 0.030 . 1 . . . . 47 VAL H . 10297 1 508 . 1 1 47 47 VAL HA H 1 3.633 0.030 . 1 . . . . 47 VAL HA . 10297 1 509 . 1 1 47 47 VAL HB H 1 2.169 0.030 . 1 . . . . 47 VAL HB . 10297 1 510 . 1 1 47 47 VAL HG11 H 1 1.062 0.030 . 1 . . . . 47 VAL HG1 . 10297 1 511 . 1 1 47 47 VAL HG12 H 1 1.062 0.030 . 1 . . . . 47 VAL HG1 . 10297 1 512 . 1 1 47 47 VAL HG13 H 1 1.062 0.030 . 1 . . . . 47 VAL HG1 . 10297 1 513 . 1 1 47 47 VAL HG21 H 1 0.877 0.030 . 1 . . . . 47 VAL HG2 . 10297 1 514 . 1 1 47 47 VAL HG22 H 1 0.877 0.030 . 1 . . . . 47 VAL HG2 . 10297 1 515 . 1 1 47 47 VAL HG23 H 1 0.877 0.030 . 1 . . . . 47 VAL HG2 . 10297 1 516 . 1 1 47 47 VAL C C 13 177.698 0.300 . 1 . . . . 47 VAL C . 10297 1 517 . 1 1 47 47 VAL CA C 13 67.413 0.300 . 1 . . . . 47 VAL CA . 10297 1 518 . 1 1 47 47 VAL CB C 13 32.258 0.300 . 1 . . . . 47 VAL CB . 10297 1 519 . 1 1 47 47 VAL CG1 C 13 22.104 0.300 . 2 . . . . 47 VAL CG1 . 10297 1 520 . 1 1 47 47 VAL CG2 C 13 24.282 0.300 . 2 . . . . 47 VAL CG2 . 10297 1 521 . 1 1 47 47 VAL N N 15 120.616 0.300 . 1 . . . . 47 VAL N . 10297 1 522 . 1 1 48 48 LYS H H 1 9.110 0.030 . 1 . . . . 48 LYS H . 10297 1 523 . 1 1 48 48 LYS HA H 1 4.005 0.030 . 1 . . . . 48 LYS HA . 10297 1 524 . 1 1 48 48 LYS HB2 H 1 1.775 0.030 . 2 . . . . 48 LYS HB2 . 10297 1 525 . 1 1 48 48 LYS HB3 H 1 1.963 0.030 . 2 . . . . 48 LYS HB3 . 10297 1 526 . 1 1 48 48 LYS HD2 H 1 1.646 0.030 . 2 . . . . 48 LYS HD2 . 10297 1 527 . 1 1 48 48 LYS HE2 H 1 2.911 0.030 . 1 . . . . 48 LYS HE2 . 10297 1 528 . 1 1 48 48 LYS HE3 H 1 2.911 0.030 . 1 . . . . 48 LYS HE3 . 10297 1 529 . 1 1 48 48 LYS HG2 H 1 1.493 0.030 . 2 . . . . 48 LYS HG2 . 10297 1 530 . 1 1 48 48 LYS HG3 H 1 1.386 0.030 . 2 . . . . 48 LYS HG3 . 10297 1 531 . 1 1 48 48 LYS C C 13 178.717 0.300 . 1 . . . . 48 LYS C . 10297 1 532 . 1 1 48 48 LYS CA C 13 60.749 0.300 . 1 . . . . 48 LYS CA . 10297 1 533 . 1 1 48 48 LYS CB C 13 33.140 0.300 . 1 . . . . 48 LYS CB . 10297 1 534 . 1 1 48 48 LYS CD C 13 29.835 0.300 . 1 . . . . 48 LYS CD . 10297 1 535 . 1 1 48 48 LYS CE C 13 42.043 0.300 . 1 . . . . 48 LYS CE . 10297 1 536 . 1 1 48 48 LYS CG C 13 25.321 0.300 . 1 . . . . 48 LYS CG . 10297 1 537 . 1 1 48 48 LYS N N 15 119.748 0.300 . 1 . . . . 48 LYS N . 10297 1 538 . 1 1 49 49 LYS H H 1 7.901 0.030 . 1 . . . . 49 LYS H . 10297 1 539 . 1 1 49 49 LYS HA H 1 4.116 0.030 . 1 . . . . 49 LYS HA . 10297 1 540 . 1 1 49 49 LYS HB2 H 1 1.981 0.030 . 2 . . . . 49 LYS HB2 . 10297 1 541 . 1 1 49 49 LYS HB3 H 1 1.874 0.030 . 2 . . . . 49 LYS HB3 . 10297 1 542 . 1 1 49 49 LYS HD2 H 1 1.607 0.030 . 2 . . . . 49 LYS HD2 . 10297 1 543 . 1 1 49 49 LYS HE2 H 1 2.924 0.030 . 1 . . . . 49 LYS HE2 . 10297 1 544 . 1 1 49 49 LYS HE3 H 1 2.924 0.030 . 1 . . . . 49 LYS HE3 . 10297 1 545 . 1 1 49 49 LYS HG2 H 1 1.448 0.030 . 2 . . . . 49 LYS HG2 . 10297 1 546 . 1 1 49 49 LYS HG3 H 1 1.581 0.030 . 2 . . . . 49 LYS HG3 . 10297 1 547 . 1 1 49 49 LYS C C 13 178.863 0.300 . 1 . . . . 49 LYS C . 10297 1 548 . 1 1 49 49 LYS CA C 13 59.087 0.300 . 1 . . . . 49 LYS CA . 10297 1 549 . 1 1 49 49 LYS CB C 13 32.085 0.300 . 1 . . . . 49 LYS CB . 10297 1 550 . 1 1 49 49 LYS CD C 13 29.277 0.300 . 1 . . . . 49 LYS CD . 10297 1 551 . 1 1 49 49 LYS CE C 13 42.125 0.300 . 1 . . . . 49 LYS CE . 10297 1 552 . 1 1 49 49 LYS CG C 13 25.658 0.300 . 1 . . . . 49 LYS CG . 10297 1 553 . 1 1 49 49 LYS N N 15 117.787 0.300 . 1 . . . . 49 LYS N . 10297 1 554 . 1 1 50 50 TRP H H 1 8.060 0.030 . 1 . . . . 50 TRP H . 10297 1 555 . 1 1 50 50 TRP HA H 1 4.089 0.030 . 1 . . . . 50 TRP HA . 10297 1 556 . 1 1 50 50 TRP HB2 H 1 3.430 0.030 . 2 . . . . 50 TRP HB2 . 10297 1 557 . 1 1 50 50 TRP HB3 H 1 3.194 0.030 . 2 . . . . 50 TRP HB3 . 10297 1 558 . 1 1 50 50 TRP HD1 H 1 7.108 0.030 . 1 . . . . 50 TRP HD1 . 10297 1 559 . 1 1 50 50 TRP HE1 H 1 9.706 0.030 . 1 . . . . 50 TRP HE1 . 10297 1 560 . 1 1 50 50 TRP HE3 H 1 6.041 0.030 . 1 . . . . 50 TRP HE3 . 10297 1 561 . 1 1 50 50 TRP HH2 H 1 6.527 0.030 . 1 . . . . 50 TRP HH2 . 10297 1 562 . 1 1 50 50 TRP HZ2 H 1 7.089 0.030 . 1 . . . . 50 TRP HZ2 . 10297 1 563 . 1 1 50 50 TRP HZ3 H 1 6.953 0.030 . 1 . . . . 50 TRP HZ3 . 10297 1 564 . 1 1 50 50 TRP C C 13 178.547 0.300 . 1 . . . . 50 TRP C . 10297 1 565 . 1 1 50 50 TRP CA C 13 62.575 0.300 . 1 . . . . 50 TRP CA . 10297 1 566 . 1 1 50 50 TRP CB C 13 28.755 0.300 . 1 . . . . 50 TRP CB . 10297 1 567 . 1 1 50 50 TRP CD1 C 13 126.473 0.300 . 1 . . . . 50 TRP CD1 . 10297 1 568 . 1 1 50 50 TRP CE3 C 13 120.897 0.300 . 1 . . . . 50 TRP CE3 . 10297 1 569 . 1 1 50 50 TRP CH2 C 13 122.840 0.300 . 1 . . . . 50 TRP CH2 . 10297 1 570 . 1 1 50 50 TRP CZ2 C 13 114.244 0.300 . 1 . . . . 50 TRP CZ2 . 10297 1 571 . 1 1 50 50 TRP CZ3 C 13 120.708 0.300 . 1 . . . . 50 TRP CZ3 . 10297 1 572 . 1 1 50 50 TRP N N 15 121.102 0.300 . 1 . . . . 50 TRP N . 10297 1 573 . 1 1 50 50 TRP NE1 N 15 127.914 0.300 . 1 . . . . 50 TRP NE1 . 10297 1 574 . 1 1 51 51 PHE H H 1 8.695 0.030 . 1 . . . . 51 PHE H . 10297 1 575 . 1 1 51 51 PHE HA H 1 3.750 0.030 . 1 . . . . 51 PHE HA . 10297 1 576 . 1 1 51 51 PHE HB2 H 1 3.172 0.030 . 2 . . . . 51 PHE HB2 . 10297 1 577 . 1 1 51 51 PHE HB3 H 1 3.305 0.030 . 2 . . . . 51 PHE HB3 . 10297 1 578 . 1 1 51 51 PHE HD1 H 1 7.671 0.030 . 1 . . . . 51 PHE HD1 . 10297 1 579 . 1 1 51 51 PHE HD2 H 1 7.671 0.030 . 1 . . . . 51 PHE HD2 . 10297 1 580 . 1 1 51 51 PHE HE1 H 1 7.434 0.030 . 1 . . . . 51 PHE HE1 . 10297 1 581 . 1 1 51 51 PHE HE2 H 1 7.434 0.030 . 1 . . . . 51 PHE HE2 . 10297 1 582 . 1 1 51 51 PHE HZ H 1 7.292 0.030 . 1 . . . . 51 PHE HZ . 10297 1 583 . 1 1 51 51 PHE C C 13 178.620 0.300 . 1 . . . . 51 PHE C . 10297 1 584 . 1 1 51 51 PHE CA C 13 63.542 0.300 . 1 . . . . 51 PHE CA . 10297 1 585 . 1 1 51 51 PHE CB C 13 39.112 0.300 . 1 . . . . 51 PHE CB . 10297 1 586 . 1 1 51 51 PHE CD1 C 13 132.234 0.300 . 1 . . . . 51 PHE CD1 . 10297 1 587 . 1 1 51 51 PHE CD2 C 13 132.234 0.300 . 1 . . . . 51 PHE CD2 . 10297 1 588 . 1 1 51 51 PHE CE1 C 13 131.471 0.300 . 1 . . . . 51 PHE CE1 . 10297 1 589 . 1 1 51 51 PHE CE2 C 13 131.471 0.300 . 1 . . . . 51 PHE CE2 . 10297 1 590 . 1 1 51 51 PHE CZ C 13 129.368 0.300 . 1 . . . . 51 PHE CZ . 10297 1 591 . 1 1 51 51 PHE N N 15 118.773 0.300 . 1 . . . . 51 PHE N . 10297 1 592 . 1 1 52 52 GLU H H 1 8.399 0.030 . 1 . . . . 52 GLU H . 10297 1 593 . 1 1 52 52 GLU HA H 1 4.077 0.030 . 1 . . . . 52 GLU HA . 10297 1 594 . 1 1 52 52 GLU HB2 H 1 2.043 0.030 . 2 . . . . 52 GLU HB2 . 10297 1 595 . 1 1 52 52 GLU HB3 H 1 2.213 0.030 . 2 . . . . 52 GLU HB3 . 10297 1 596 . 1 1 52 52 GLU HG2 H 1 2.557 0.030 . 2 . . . . 52 GLU HG2 . 10297 1 597 . 1 1 52 52 GLU HG3 H 1 2.226 0.030 . 2 . . . . 52 GLU HG3 . 10297 1 598 . 1 1 52 52 GLU C C 13 179.834 0.300 . 1 . . . . 52 GLU C . 10297 1 599 . 1 1 52 52 GLU CA C 13 59.657 0.300 . 1 . . . . 52 GLU CA . 10297 1 600 . 1 1 52 52 GLU CB C 13 29.561 0.300 . 1 . . . . 52 GLU CB . 10297 1 601 . 1 1 52 52 GLU CG C 13 36.782 0.300 . 1 . . . . 52 GLU CG . 10297 1 602 . 1 1 52 52 GLU N N 15 118.518 0.300 . 1 . . . . 52 GLU N . 10297 1 603 . 1 1 53 53 LYS H H 1 7.957 0.030 . 1 . . . . 53 LYS H . 10297 1 604 . 1 1 53 53 LYS HA H 1 3.981 0.030 . 1 . . . . 53 LYS HA . 10297 1 605 . 1 1 53 53 LYS HB2 H 1 1.653 0.030 . 2 . . . . 53 LYS HB2 . 10297 1 606 . 1 1 53 53 LYS HB3 H 1 1.797 0.030 . 2 . . . . 53 LYS HB3 . 10297 1 607 . 1 1 53 53 LYS HD2 H 1 1.492 0.030 . 1 . . . . 53 LYS HD2 . 10297 1 608 . 1 1 53 53 LYS HD3 H 1 1.492 0.030 . 1 . . . . 53 LYS HD3 . 10297 1 609 . 1 1 53 53 LYS HE2 H 1 2.788 0.030 . 2 . . . . 53 LYS HE2 . 10297 1 610 . 1 1 53 53 LYS HG2 H 1 1.305 0.030 . 1 . . . . 53 LYS HG2 . 10297 1 611 . 1 1 53 53 LYS HG3 H 1 1.305 0.030 . 1 . . . . 53 LYS HG3 . 10297 1 612 . 1 1 53 53 LYS C C 13 179.349 0.300 . 1 . . . . 53 LYS C . 10297 1 613 . 1 1 53 53 LYS CA C 13 59.087 0.300 . 1 . . . . 53 LYS CA . 10297 1 614 . 1 1 53 53 LYS CB C 13 32.091 0.300 . 1 . . . . 53 LYS CB . 10297 1 615 . 1 1 53 53 LYS CD C 13 29.200 0.300 . 1 . . . . 53 LYS CD . 10297 1 616 . 1 1 53 53 LYS CE C 13 42.027 0.300 . 1 . . . . 53 LYS CE . 10297 1 617 . 1 1 53 53 LYS CG C 13 25.163 0.300 . 1 . . . . 53 LYS CG . 10297 1 618 . 1 1 53 53 LYS N N 15 120.286 0.300 . 1 . . . . 53 LYS N . 10297 1 619 . 1 1 54 54 MET H H 1 7.762 0.030 . 1 . . . . 54 MET H . 10297 1 620 . 1 1 54 54 MET HA H 1 3.853 0.030 . 1 . . . . 54 MET HA . 10297 1 621 . 1 1 54 54 MET HB2 H 1 1.221 0.030 . 2 . . . . 54 MET HB2 . 10297 1 622 . 1 1 54 54 MET HB3 H 1 1.012 0.030 . 2 . . . . 54 MET HB3 . 10297 1 623 . 1 1 54 54 MET HE1 H 1 1.364 0.030 . 1 . . . . 54 MET HE . 10297 1 624 . 1 1 54 54 MET HE2 H 1 1.364 0.030 . 1 . . . . 54 MET HE . 10297 1 625 . 1 1 54 54 MET HE3 H 1 1.364 0.030 . 1 . . . . 54 MET HE . 10297 1 626 . 1 1 54 54 MET C C 13 179.349 0.300 . 1 . . . . 54 MET C . 10297 1 627 . 1 1 54 54 MET CA C 13 57.071 0.300 . 1 . . . . 54 MET CA . 10297 1 628 . 1 1 54 54 MET CB C 13 31.158 0.300 . 1 . . . . 54 MET CB . 10297 1 629 . 1 1 54 54 MET CE C 13 16.667 0.300 . 1 . . . . 54 MET CE . 10297 1 630 . 1 1 54 54 MET CG C 13 31.261 0.300 . 1 . . . . 54 MET CG . 10297 1 631 . 1 1 54 54 MET N N 15 119.874 0.300 . 1 . . . . 54 MET N . 10297 1 632 . 1 1 55 55 GLN H H 1 8.284 0.030 . 1 . . . . 55 GLN H . 10297 1 633 . 1 1 55 55 GLN HA H 1 4.172 0.030 . 1 . . . . 55 GLN HA . 10297 1 634 . 1 1 55 55 GLN HB2 H 1 2.095 0.030 . 2 . . . . 55 GLN HB2 . 10297 1 635 . 1 1 55 55 GLN HB3 H 1 2.330 0.030 . 2 . . . . 55 GLN HB3 . 10297 1 636 . 1 1 55 55 GLN HE21 H 1 7.084 0.030 . 2 . . . . 55 GLN HE21 . 10297 1 637 . 1 1 55 55 GLN HE22 H 1 8.108 0.030 . 2 . . . . 55 GLN HE22 . 10297 1 638 . 1 1 55 55 GLN HG2 H 1 2.710 0.030 . 2 . . . . 55 GLN HG2 . 10297 1 639 . 1 1 55 55 GLN HG3 H 1 2.811 0.030 . 2 . . . . 55 GLN HG3 . 10297 1 640 . 1 1 55 55 GLN C C 13 178.013 0.300 . 1 . . . . 55 GLN C . 10297 1 641 . 1 1 55 55 GLN CA C 13 57.906 0.300 . 1 . . . . 55 GLN CA . 10297 1 642 . 1 1 55 55 GLN CB C 13 28.308 0.300 . 1 . . . . 55 GLN CB . 10297 1 643 . 1 1 55 55 GLN CG C 13 34.182 0.300 . 1 . . . . 55 GLN CG . 10297 1 644 . 1 1 55 55 GLN N N 15 119.171 0.300 . 1 . . . . 55 GLN N . 10297 1 645 . 1 1 55 55 GLN NE2 N 15 110.489 0.300 . 1 . . . . 55 GLN NE2 . 10297 1 646 . 1 1 56 56 ALA H H 1 7.665 0.030 . 1 . . . . 56 ALA H . 10297 1 647 . 1 1 56 56 ALA HA H 1 4.289 0.030 . 1 . . . . 56 ALA HA . 10297 1 648 . 1 1 56 56 ALA HB1 H 1 1.464 0.030 . 1 . . . . 56 ALA HB . 10297 1 649 . 1 1 56 56 ALA HB2 H 1 1.464 0.030 . 1 . . . . 56 ALA HB . 10297 1 650 . 1 1 56 56 ALA HB3 H 1 1.464 0.030 . 1 . . . . 56 ALA HB . 10297 1 651 . 1 1 56 56 ALA C C 13 178.572 0.300 . 1 . . . . 56 ALA C . 10297 1 652 . 1 1 56 56 ALA CA C 13 53.041 0.300 . 1 . . . . 56 ALA CA . 10297 1 653 . 1 1 56 56 ALA CB C 13 18.784 0.300 . 1 . . . . 56 ALA CB . 10297 1 654 . 1 1 56 56 ALA N N 15 120.252 0.300 . 1 . . . . 56 ALA N . 10297 1 655 . 1 1 57 57 GLY H H 1 7.802 0.030 . 1 . . . . 57 GLY H . 10297 1 656 . 1 1 57 57 GLY HA2 H 1 3.945 0.030 . 1 . . . . 57 GLY HA2 . 10297 1 657 . 1 1 57 57 GLY HA3 H 1 3.945 0.030 . 1 . . . . 57 GLY HA3 . 10297 1 658 . 1 1 57 57 GLY C C 13 174.809 0.300 . 1 . . . . 57 GLY C . 10297 1 659 . 1 1 57 57 GLY CA C 13 45.748 0.300 . 1 . . . . 57 GLY CA . 10297 1 660 . 1 1 57 57 GLY N N 15 106.361 0.300 . 1 . . . . 57 GLY N . 10297 1 661 . 1 1 58 58 GLN H H 1 7.961 0.030 . 1 . . . . 58 GLN H . 10297 1 662 . 1 1 58 58 GLN HA H 1 4.280 0.030 . 1 . . . . 58 GLN HA . 10297 1 663 . 1 1 58 58 GLN HB2 H 1 1.913 0.030 . 2 . . . . 58 GLN HB2 . 10297 1 664 . 1 1 58 58 GLN HB3 H 1 2.137 0.030 . 2 . . . . 58 GLN HB3 . 10297 1 665 . 1 1 58 58 GLN HE21 H 1 7.476 0.030 . 2 . . . . 58 GLN HE21 . 10297 1 666 . 1 1 58 58 GLN HE22 H 1 6.835 0.030 . 2 . . . . 58 GLN HE22 . 10297 1 667 . 1 1 58 58 GLN HG2 H 1 2.325 0.030 . 1 . . . . 58 GLN HG2 . 10297 1 668 . 1 1 58 58 GLN HG3 H 1 2.325 0.030 . 1 . . . . 58 GLN HG3 . 10297 1 669 . 1 1 58 58 GLN C C 13 175.877 0.300 . 1 . . . . 58 GLN C . 10297 1 670 . 1 1 58 58 GLN CA C 13 55.890 0.300 . 1 . . . . 58 GLN CA . 10297 1 671 . 1 1 58 58 GLN CB C 13 29.211 0.300 . 1 . . . . 58 GLN CB . 10297 1 672 . 1 1 58 58 GLN CG C 13 33.847 0.300 . 1 . . . . 58 GLN CG . 10297 1 673 . 1 1 58 58 GLN N N 15 118.690 0.300 . 1 . . . . 58 GLN N . 10297 1 674 . 1 1 58 58 GLN NE2 N 15 112.319 0.300 . 1 . . . . 58 GLN NE2 . 10297 1 675 . 1 1 59 59 ILE H H 1 7.828 0.030 . 1 . . . . 59 ILE H . 10297 1 676 . 1 1 59 59 ILE HA H 1 4.178 0.030 . 1 . . . . 59 ILE HA . 10297 1 677 . 1 1 59 59 ILE HB H 1 1.802 0.030 . 1 . . . . 59 ILE HB . 10297 1 678 . 1 1 59 59 ILE HD11 H 1 0.756 0.030 . 1 . . . . 59 ILE HD1 . 10297 1 679 . 1 1 59 59 ILE HD12 H 1 0.756 0.030 . 1 . . . . 59 ILE HD1 . 10297 1 680 . 1 1 59 59 ILE HD13 H 1 0.756 0.030 . 1 . . . . 59 ILE HD1 . 10297 1 681 . 1 1 59 59 ILE HG12 H 1 1.066 0.030 . 2 . . . . 59 ILE HG12 . 10297 1 682 . 1 1 59 59 ILE HG13 H 1 1.317 0.030 . 2 . . . . 59 ILE HG13 . 10297 1 683 . 1 1 59 59 ILE HG21 H 1 0.849 0.030 . 1 . . . . 59 ILE HG2 . 10297 1 684 . 1 1 59 59 ILE HG22 H 1 0.849 0.030 . 1 . . . . 59 ILE HG2 . 10297 1 685 . 1 1 59 59 ILE HG23 H 1 0.849 0.030 . 1 . . . . 59 ILE HG2 . 10297 1 686 . 1 1 59 59 ILE C C 13 175.950 0.300 . 1 . . . . 59 ILE C . 10297 1 687 . 1 1 59 59 ILE CA C 13 60.796 0.300 . 1 . . . . 59 ILE CA . 10297 1 688 . 1 1 59 59 ILE CB C 13 38.884 0.300 . 1 . . . . 59 ILE CB . 10297 1 689 . 1 1 59 59 ILE CD1 C 13 12.831 0.300 . 1 . . . . 59 ILE CD1 . 10297 1 690 . 1 1 59 59 ILE CG1 C 13 27.145 0.300 . 1 . . . . 59 ILE CG1 . 10297 1 691 . 1 1 59 59 ILE CG2 C 13 17.569 0.300 . 1 . . . . 59 ILE CG2 . 10297 1 692 . 1 1 59 59 ILE N N 15 119.986 0.300 . 1 . . . . 59 ILE N . 10297 1 693 . 1 1 60 60 SER H H 1 8.358 0.030 . 1 . . . . 60 SER H . 10297 1 694 . 1 1 60 60 SER HA H 1 4.485 0.030 . 1 . . . . 60 SER HA . 10297 1 695 . 1 1 60 60 SER HB2 H 1 3.823 0.030 . 1 . . . . 60 SER HB2 . 10297 1 696 . 1 1 60 60 SER HB3 H 1 3.823 0.030 . 1 . . . . 60 SER HB3 . 10297 1 697 . 1 1 60 60 SER C C 13 174.542 0.300 . 1 . . . . 60 SER C . 10297 1 698 . 1 1 60 60 SER CA C 13 58.000 0.300 . 1 . . . . 60 SER CA . 10297 1 699 . 1 1 60 60 SER CB C 13 63.869 0.300 . 1 . . . . 60 SER CB . 10297 1 700 . 1 1 60 60 SER N N 15 119.848 0.300 . 1 . . . . 60 SER N . 10297 1 701 . 1 1 61 61 VAL H H 1 8.223 0.030 . 1 . . . . 61 VAL H . 10297 1 702 . 1 1 61 61 VAL HA H 1 4.132 0.030 . 1 . . . . 61 VAL HA . 10297 1 703 . 1 1 61 61 VAL HB H 1 2.088 0.030 . 1 . . . . 61 VAL HB . 10297 1 704 . 1 1 61 61 VAL HG11 H 1 0.895 0.030 . 1 . . . . 61 VAL HG1 . 10297 1 705 . 1 1 61 61 VAL HG12 H 1 0.895 0.030 . 1 . . . . 61 VAL HG1 . 10297 1 706 . 1 1 61 61 VAL HG13 H 1 0.895 0.030 . 1 . . . . 61 VAL HG1 . 10297 1 707 . 1 1 61 61 VAL HG21 H 1 0.900 0.030 . 1 . . . . 61 VAL HG2 . 10297 1 708 . 1 1 61 61 VAL HG22 H 1 0.900 0.030 . 1 . . . . 61 VAL HG2 . 10297 1 709 . 1 1 61 61 VAL HG23 H 1 0.900 0.030 . 1 . . . . 61 VAL HG2 . 10297 1 710 . 1 1 61 61 VAL C C 13 176.023 0.300 . 1 . . . . 61 VAL C . 10297 1 711 . 1 1 61 61 VAL CA C 13 62.254 0.300 . 1 . . . . 61 VAL CA . 10297 1 712 . 1 1 61 61 VAL CB C 13 32.702 0.300 . 1 . . . . 61 VAL CB . 10297 1 713 . 1 1 61 61 VAL CG1 C 13 21.218 0.300 . 2 . . . . 61 VAL CG1 . 10297 1 714 . 1 1 61 61 VAL CG2 C 13 20.372 0.300 . 2 . . . . 61 VAL CG2 . 10297 1 715 . 1 1 61 61 VAL N N 15 121.796 0.300 . 1 . . . . 61 VAL N . 10297 1 716 . 1 1 62 62 GLN H H 1 8.405 0.030 . 1 . . . . 62 GLN H . 10297 1 717 . 1 1 62 62 GLN HA H 1 4.389 0.030 . 1 . . . . 62 GLN HA . 10297 1 718 . 1 1 62 62 GLN HB2 H 1 1.976 0.030 . 2 . . . . 62 GLN HB2 . 10297 1 719 . 1 1 62 62 GLN HB3 H 1 2.117 0.030 . 2 . . . . 62 GLN HB3 . 10297 1 720 . 1 1 62 62 GLN HE21 H 1 6.839 0.030 . 2 . . . . 62 GLN HE21 . 10297 1 721 . 1 1 62 62 GLN HE22 H 1 7.542 0.030 . 2 . . . . 62 GLN HE22 . 10297 1 722 . 1 1 62 62 GLN HG2 H 1 2.368 0.030 . 1 . . . . 62 GLN HG2 . 10297 1 723 . 1 1 62 62 GLN HG3 H 1 2.368 0.030 . 1 . . . . 62 GLN HG3 . 10297 1 724 . 1 1 62 62 GLN C C 13 175.901 0.300 . 1 . . . . 62 GLN C . 10297 1 725 . 1 1 62 62 GLN CA C 13 55.792 0.300 . 1 . . . . 62 GLN CA . 10297 1 726 . 1 1 62 62 GLN CB C 13 29.530 0.300 . 1 . . . . 62 GLN CB . 10297 1 727 . 1 1 62 62 GLN CG C 13 33.774 0.300 . 1 . . . . 62 GLN CG . 10297 1 728 . 1 1 62 62 GLN N N 15 123.728 0.300 . 1 . . . . 62 GLN N . 10297 1 729 . 1 1 62 62 GLN NE2 N 15 112.652 0.300 . 1 . . . . 62 GLN NE2 . 10297 1 730 . 1 1 63 63 SER H H 1 8.396 0.030 . 1 . . . . 63 SER H . 10297 1 731 . 1 1 63 63 SER HA H 1 4.482 0.030 . 1 . . . . 63 SER HA . 10297 1 732 . 1 1 63 63 SER HB2 H 1 3.918 0.030 . 2 . . . . 63 SER HB2 . 10297 1 733 . 1 1 63 63 SER HB3 H 1 3.861 0.030 . 2 . . . . 63 SER HB3 . 10297 1 734 . 1 1 63 63 SER C C 13 173.668 0.300 . 1 . . . . 63 SER C . 10297 1 735 . 1 1 63 63 SER CA C 13 58.445 0.300 . 1 . . . . 63 SER CA . 10297 1 736 . 1 1 63 63 SER CB C 13 63.964 0.300 . 1 . . . . 63 SER CB . 10297 1 737 . 1 1 63 63 SER N N 15 118.100 0.300 . 1 . . . . 63 SER N . 10297 1 738 . 1 1 64 64 SER H H 1 8.014 0.030 . 1 . . . . 64 SER H . 10297 1 739 . 1 1 64 64 SER HA H 1 4.269 0.030 . 1 . . . . 64 SER HA . 10297 1 740 . 1 1 64 64 SER HB2 H 1 3.847 0.030 . 2 . . . . 64 SER HB2 . 10297 1 741 . 1 1 64 64 SER C C 13 178.645 0.300 . 1 . . . . 64 SER C . 10297 1 742 . 1 1 64 64 SER CA C 13 60.042 0.300 . 1 . . . . 64 SER CA . 10297 1 743 . 1 1 64 64 SER CB C 13 64.837 0.300 . 1 . . . . 64 SER CB . 10297 1 744 . 1 1 64 64 SER N N 15 123.200 0.300 . 1 . . . . 64 SER N . 10297 1 stop_ save_