data_11158 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11158 _Entry.Title ; Solution structure of the HMG box of human Transcription factor SOX-17 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-15 _Entry.Accession_date 2010-04-15 _Entry.Last_release_date 2011-05-05 _Entry.Original_release_date 2011-05-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 H. Abe . . . 11158 2 N. Tochio . . . 11158 3 K. Miyamoto . . . 11158 4 S. Koshiba . . . 11158 5 M. Inoue . . . 11158 6 T. Kigawa . . . 11158 7 S. Yokoyama . . . 11158 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11158 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11158 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 331 11158 '15N chemical shifts' 77 11158 '1H chemical shifts' 532 11158 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 . . 2011-05-05 2010-04-15 original author . 11158 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YUL 'BMRB Entry Tracking System' 11158 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11158 _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 HMG box of human Transcription factor SOX-17' _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 H. Abe . . . 11158 1 2 N. Tochio . . . 11158 1 3 K. Miyamoto . . . 11158 1 4 S. Koshiba . . . 11158 1 5 M. Inoue . . . 11158 1 6 T. Kigawa . . . 11158 1 7 S. Yokoyama . . . 11158 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11158 _Assembly.ID 1 _Assembly.Name 'Transcription factor SOX-17' _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 'HMG (high mobility group) box' 1 $entity_1 A . yes native no no . . . 11158 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 yes PDB 2yul . . . . . . 11158 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11158 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HMG (high mobility group) box' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGIRRPMNAFMVWAK DERKRLAQQNPDLHNAELSK MLGKSWKALTLAEKRPFVEE AERLRVQHMQDHPNYKSGPS SG ; _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 82 _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 2YUL . "Solution Structure Of The Hmg Box Of Human Transcription Factor Sox-17" . . . . . 100.00 82 100.00 100.00 1.76e-52 . . . . 11158 1 2 no PDB 4A3N . "Crystal Structure Of Hmg-box Of Human Sox17" . . . . . 85.37 71 98.57 98.57 6.33e-43 . . . . 11158 1 3 no GB AAA56843 . "HMG-box transcription factor, partial [Mus musculus domesticus]" . . . . . 69.51 57 100.00 100.00 1.74e-32 . . . . 11158 1 4 no GB EDM11594 . "SRY-box containing gene 17 (predicted), isoform CRA_a [Rattus norvegicus]" . . . . . 87.80 423 97.22 97.22 8.81e-41 . . . . 11158 1 5 no GB EDM11595 . "SRY-box containing gene 17 (predicted), isoform CRA_a [Rattus norvegicus]" . . . . . 87.80 423 97.22 97.22 8.81e-41 . . . . 11158 1 6 no GB ERE85977 . "transcription factor SOX-7-like protein [Cricetulus griseus]" . . . . . 87.80 419 97.22 97.22 8.31e-41 . . . . 11158 1 7 no REF NP_001101372 . "transcription factor SOX-17 [Rattus norvegicus]" . . . . . 87.80 423 97.22 97.22 8.81e-41 . . . . 11158 1 8 no REF XP_004410083 . "PREDICTED: transcription factor SOX-17 [Odobenus rosmarus divergens]" . . . . . 87.80 406 97.22 97.22 1.66e-40 . . . . 11158 1 9 no REF XP_004435766 . "PREDICTED: transcription factor SOX-17-like [Ceratotherium simum simum]" . . . . . 87.80 407 97.22 97.22 1.48e-40 . . . . 11158 1 10 no REF XP_005085983 . "PREDICTED: transcription factor SOX-17 [Mesocricetus auratus]" . . . . . 87.80 419 97.22 97.22 8.40e-41 . . . . 11158 1 11 no REF XP_005322972 . "PREDICTED: transcription factor SOX-17 [Ictidomys tridecemlineatus]" . . . . . 87.80 415 97.22 97.22 1.76e-40 . . . . 11158 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HMG (high mobility group) box' . 11158 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 . 11158 1 2 . SER . 11158 1 3 . SER . 11158 1 4 . GLY . 11158 1 5 . SER . 11158 1 6 . SER . 11158 1 7 . GLY . 11158 1 8 . ILE . 11158 1 9 . ARG . 11158 1 10 . ARG . 11158 1 11 . PRO . 11158 1 12 . MET . 11158 1 13 . ASN . 11158 1 14 . ALA . 11158 1 15 . PHE . 11158 1 16 . MET . 11158 1 17 . VAL . 11158 1 18 . TRP . 11158 1 19 . ALA . 11158 1 20 . LYS . 11158 1 21 . ASP . 11158 1 22 . GLU . 11158 1 23 . ARG . 11158 1 24 . LYS . 11158 1 25 . ARG . 11158 1 26 . LEU . 11158 1 27 . ALA . 11158 1 28 . GLN . 11158 1 29 . GLN . 11158 1 30 . ASN . 11158 1 31 . PRO . 11158 1 32 . ASP . 11158 1 33 . LEU . 11158 1 34 . HIS . 11158 1 35 . ASN . 11158 1 36 . ALA . 11158 1 37 . GLU . 11158 1 38 . LEU . 11158 1 39 . SER . 11158 1 40 . LYS . 11158 1 41 . MET . 11158 1 42 . LEU . 11158 1 43 . GLY . 11158 1 44 . LYS . 11158 1 45 . SER . 11158 1 46 . TRP . 11158 1 47 . LYS . 11158 1 48 . ALA . 11158 1 49 . LEU . 11158 1 50 . THR . 11158 1 51 . LEU . 11158 1 52 . ALA . 11158 1 53 . GLU . 11158 1 54 . LYS . 11158 1 55 . ARG . 11158 1 56 . PRO . 11158 1 57 . PHE . 11158 1 58 . VAL . 11158 1 59 . GLU . 11158 1 60 . GLU . 11158 1 61 . ALA . 11158 1 62 . GLU . 11158 1 63 . ARG . 11158 1 64 . LEU . 11158 1 65 . ARG . 11158 1 66 . VAL . 11158 1 67 . GLN . 11158 1 68 . HIS . 11158 1 69 . MET . 11158 1 70 . GLN . 11158 1 71 . ASP . 11158 1 72 . HIS . 11158 1 73 . PRO . 11158 1 74 . ASN . 11158 1 75 . TYR . 11158 1 76 . LYS . 11158 1 77 . SER . 11158 1 78 . GLY . 11158 1 79 . PRO . 11158 1 80 . SER . 11158 1 81 . SER . 11158 1 82 . GLY . 11158 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 11158 1 . SER 2 2 11158 1 . SER 3 3 11158 1 . GLY 4 4 11158 1 . SER 5 5 11158 1 . SER 6 6 11158 1 . GLY 7 7 11158 1 . ILE 8 8 11158 1 . ARG 9 9 11158 1 . ARG 10 10 11158 1 . PRO 11 11 11158 1 . MET 12 12 11158 1 . ASN 13 13 11158 1 . ALA 14 14 11158 1 . PHE 15 15 11158 1 . MET 16 16 11158 1 . VAL 17 17 11158 1 . TRP 18 18 11158 1 . ALA 19 19 11158 1 . LYS 20 20 11158 1 . ASP 21 21 11158 1 . GLU 22 22 11158 1 . ARG 23 23 11158 1 . LYS 24 24 11158 1 . ARG 25 25 11158 1 . LEU 26 26 11158 1 . ALA 27 27 11158 1 . GLN 28 28 11158 1 . GLN 29 29 11158 1 . ASN 30 30 11158 1 . PRO 31 31 11158 1 . ASP 32 32 11158 1 . LEU 33 33 11158 1 . HIS 34 34 11158 1 . ASN 35 35 11158 1 . ALA 36 36 11158 1 . GLU 37 37 11158 1 . LEU 38 38 11158 1 . SER 39 39 11158 1 . LYS 40 40 11158 1 . MET 41 41 11158 1 . LEU 42 42 11158 1 . GLY 43 43 11158 1 . LYS 44 44 11158 1 . SER 45 45 11158 1 . TRP 46 46 11158 1 . LYS 47 47 11158 1 . ALA 48 48 11158 1 . LEU 49 49 11158 1 . THR 50 50 11158 1 . LEU 51 51 11158 1 . ALA 52 52 11158 1 . GLU 53 53 11158 1 . LYS 54 54 11158 1 . ARG 55 55 11158 1 . PRO 56 56 11158 1 . PHE 57 57 11158 1 . VAL 58 58 11158 1 . GLU 59 59 11158 1 . GLU 60 60 11158 1 . ALA 61 61 11158 1 . GLU 62 62 11158 1 . ARG 63 63 11158 1 . LEU 64 64 11158 1 . ARG 65 65 11158 1 . VAL 66 66 11158 1 . GLN 67 67 11158 1 . HIS 68 68 11158 1 . MET 69 69 11158 1 . GLN 70 70 11158 1 . ASP 71 71 11158 1 . HIS 72 72 11158 1 . PRO 73 73 11158 1 . ASN 74 74 11158 1 . TYR 75 75 11158 1 . LYS 76 76 11158 1 . SER 77 77 11158 1 . GLY 78 78 11158 1 . PRO 79 79 11158 1 . SER 80 80 11158 1 . SER 81 81 11158 1 . GLY 82 82 11158 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 11158 _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 . . . . . . . . . . . . . . . . . . . . . 11158 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 11158 _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' 'E. coli - cell free' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P051003-07 . . . . . . 11158 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11158 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.1mM {Protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _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 'HMG (high mobility group) box' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.1 . . mM . . . . 11158 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11158 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11158 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11158 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11158 1 6 H2O . . . . . . solvent 90 . . % . . . . 11158 1 7 D2O . . . . . . solvent 10 . . % . . . . 11158 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 11158 _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 11158 1 pH 7.0 0.05 pH 11158 1 pressure 1 0.001 atm 11158 1 temperature 296 0.1 K 11158 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11158 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11158 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11158 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11158 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11158 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11158 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11158 _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.' . . 11158 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11158 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11158 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9747 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11158 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11158 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11158 _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.' . . 11158 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11158 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 11158 _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 11158 _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 . . . 11158 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 11158 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11158 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11158 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 11158 _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 . . . . . . . . . 11158 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11158 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11158 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 11158 _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 15N-separated NOESY' 1 $sample_1 isotropic 11158 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11158 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 11158 1 2 $NMRPipe . . 11158 1 3 $NMRView . . 11158 1 4 $Kujira . . 11158 1 5 $CYANA . . 11158 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 3.953 0.030 . 1 . . . . 7 GLY HA2 . 11158 1 2 . 1 1 7 7 GLY HA3 H 1 3.953 0.030 . 1 . . . . 7 GLY HA3 . 11158 1 3 . 1 1 7 7 GLY C C 13 173.902 0.300 . 1 . . . . 7 GLY C . 11158 1 4 . 1 1 7 7 GLY CA C 13 45.253 0.300 . 1 . . . . 7 GLY CA . 11158 1 5 . 1 1 8 8 ILE H H 1 7.934 0.030 . 1 . . . . 8 ILE H . 11158 1 6 . 1 1 8 8 ILE HA H 1 4.123 0.030 . 1 . . . . 8 ILE HA . 11158 1 7 . 1 1 8 8 ILE HB H 1 1.801 0.030 . 1 . . . . 8 ILE HB . 11158 1 8 . 1 1 8 8 ILE HD11 H 1 0.826 0.030 . 1 . . . . 8 ILE HD1 . 11158 1 9 . 1 1 8 8 ILE HD12 H 1 0.826 0.030 . 1 . . . . 8 ILE HD1 . 11158 1 10 . 1 1 8 8 ILE HD13 H 1 0.826 0.030 . 1 . . . . 8 ILE HD1 . 11158 1 11 . 1 1 8 8 ILE HG12 H 1 1.423 0.030 . 2 . . . . 8 ILE HG12 . 11158 1 12 . 1 1 8 8 ILE HG13 H 1 1.124 0.030 . 2 . . . . 8 ILE HG13 . 11158 1 13 . 1 1 8 8 ILE HG21 H 1 0.826 0.030 . 1 . . . . 8 ILE HG2 . 11158 1 14 . 1 1 8 8 ILE HG22 H 1 0.826 0.030 . 1 . . . . 8 ILE HG2 . 11158 1 15 . 1 1 8 8 ILE HG23 H 1 0.826 0.030 . 1 . . . . 8 ILE HG2 . 11158 1 16 . 1 1 8 8 ILE C C 13 176.179 0.300 . 1 . . . . 8 ILE C . 11158 1 17 . 1 1 8 8 ILE CA C 13 61.081 0.300 . 1 . . . . 8 ILE CA . 11158 1 18 . 1 1 8 8 ILE CB C 13 38.752 0.300 . 1 . . . . 8 ILE CB . 11158 1 19 . 1 1 8 8 ILE CD1 C 13 12.944 0.300 . 1 . . . . 8 ILE CD1 . 11158 1 20 . 1 1 8 8 ILE CG1 C 13 27.305 0.300 . 1 . . . . 8 ILE CG1 . 11158 1 21 . 1 1 8 8 ILE CG2 C 13 17.492 0.300 . 1 . . . . 8 ILE CG2 . 11158 1 22 . 1 1 8 8 ILE N N 15 120.216 0.300 . 1 . . . . 8 ILE N . 11158 1 23 . 1 1 9 9 ARG H H 1 8.447 0.030 . 1 . . . . 9 ARG H . 11158 1 24 . 1 1 9 9 ARG HA H 1 4.341 0.030 . 1 . . . . 9 ARG HA . 11158 1 25 . 1 1 9 9 ARG HB2 H 1 1.790 0.030 . 2 . . . . 9 ARG HB2 . 11158 1 26 . 1 1 9 9 ARG HB3 H 1 1.725 0.030 . 2 . . . . 9 ARG HB3 . 11158 1 27 . 1 1 9 9 ARG HG2 H 1 1.622 0.030 . 2 . . . . 9 ARG HG2 . 11158 1 28 . 1 1 9 9 ARG HG3 H 1 1.558 0.030 . 2 . . . . 9 ARG HG3 . 11158 1 29 . 1 1 9 9 ARG C C 13 175.617 0.300 . 1 . . . . 9 ARG C . 11158 1 30 . 1 1 9 9 ARG CA C 13 55.788 0.300 . 1 . . . . 9 ARG CA . 11158 1 31 . 1 1 9 9 ARG CB C 13 30.760 0.300 . 1 . . . . 9 ARG CB . 11158 1 32 . 1 1 9 9 ARG CD C 13 43.315 0.300 . 1 . . . . 9 ARG CD . 11158 1 33 . 1 1 9 9 ARG CG C 13 27.187 0.300 . 1 . . . . 9 ARG CG . 11158 1 34 . 1 1 9 9 ARG N N 15 126.124 0.300 . 1 . . . . 9 ARG N . 11158 1 35 . 1 1 10 10 ARG H H 1 8.278 0.030 . 1 . . . . 10 ARG H . 11158 1 36 . 1 1 10 10 ARG HA H 1 4.453 0.030 . 1 . . . . 10 ARG HA . 11158 1 37 . 1 1 10 10 ARG HB2 H 1 1.666 0.030 . 2 . . . . 10 ARG HB2 . 11158 1 38 . 1 1 10 10 ARG HB3 H 1 1.782 0.030 . 2 . . . . 10 ARG HB3 . 11158 1 39 . 1 1 10 10 ARG HD2 H 1 3.152 0.030 . 2 . . . . 10 ARG HD2 . 11158 1 40 . 1 1 10 10 ARG HD3 H 1 3.169 0.030 . 2 . . . . 10 ARG HD3 . 11158 1 41 . 1 1 10 10 ARG HG2 H 1 1.631 0.030 . 1 . . . . 10 ARG HG2 . 11158 1 42 . 1 1 10 10 ARG HG3 H 1 1.631 0.030 . 1 . . . . 10 ARG HG3 . 11158 1 43 . 1 1 10 10 ARG C C 13 173.806 0.300 . 1 . . . . 10 ARG C . 11158 1 44 . 1 1 10 10 ARG CA C 13 53.719 0.300 . 1 . . . . 10 ARG CA . 11158 1 45 . 1 1 10 10 ARG CB C 13 30.207 0.300 . 1 . . . . 10 ARG CB . 11158 1 46 . 1 1 10 10 ARG CD C 13 43.364 0.300 . 1 . . . . 10 ARG CD . 11158 1 47 . 1 1 10 10 ARG CG C 13 26.945 0.300 . 1 . . . . 10 ARG CG . 11158 1 48 . 1 1 10 10 ARG N N 15 123.367 0.300 . 1 . . . . 10 ARG N . 11158 1 49 . 1 1 11 11 PRO HA H 1 4.335 0.030 . 1 . . . . 11 PRO HA . 11158 1 50 . 1 1 11 11 PRO HB2 H 1 1.877 0.030 . 2 . . . . 11 PRO HB2 . 11158 1 51 . 1 1 11 11 PRO HB3 H 1 2.044 0.030 . 2 . . . . 11 PRO HB3 . 11158 1 52 . 1 1 11 11 PRO HD2 H 1 3.226 0.030 . 2 . . . . 11 PRO HD2 . 11158 1 53 . 1 1 11 11 PRO HD3 H 1 3.489 0.030 . 2 . . . . 11 PRO HD3 . 11158 1 54 . 1 1 11 11 PRO HG2 H 1 1.945 0.030 . 2 . . . . 11 PRO HG2 . 11158 1 55 . 1 1 11 11 PRO HG3 H 1 1.730 0.030 . 2 . . . . 11 PRO HG3 . 11158 1 56 . 1 1 11 11 PRO C C 13 176.484 0.300 . 1 . . . . 11 PRO C . 11158 1 57 . 1 1 11 11 PRO CA C 13 62.641 0.300 . 1 . . . . 11 PRO CA . 11158 1 58 . 1 1 11 11 PRO CB C 13 31.831 0.300 . 1 . . . . 11 PRO CB . 11158 1 59 . 1 1 11 11 PRO CD C 13 50.095 0.300 . 1 . . . . 11 PRO CD . 11158 1 60 . 1 1 11 11 PRO CG C 13 27.358 0.300 . 1 . . . . 11 PRO CG . 11158 1 61 . 1 1 12 12 MET H H 1 8.262 0.030 . 1 . . . . 12 MET H . 11158 1 62 . 1 1 12 12 MET HA H 1 4.465 0.030 . 1 . . . . 12 MET HA . 11158 1 63 . 1 1 12 12 MET HB2 H 1 2.025 0.030 . 2 . . . . 12 MET HB2 . 11158 1 64 . 1 1 12 12 MET HB3 H 1 1.965 0.030 . 2 . . . . 12 MET HB3 . 11158 1 65 . 1 1 12 12 MET HE1 H 1 2.025 0.030 . 1 . . . . 12 MET HE . 11158 1 66 . 1 1 12 12 MET HE2 H 1 2.025 0.030 . 1 . . . . 12 MET HE . 11158 1 67 . 1 1 12 12 MET HE3 H 1 2.025 0.030 . 1 . . . . 12 MET HE . 11158 1 68 . 1 1 12 12 MET HG2 H 1 2.522 0.030 . 2 . . . . 12 MET HG2 . 11158 1 69 . 1 1 12 12 MET HG3 H 1 2.641 0.030 . 2 . . . . 12 MET HG3 . 11158 1 70 . 1 1 12 12 MET C C 13 175.486 0.300 . 1 . . . . 12 MET C . 11158 1 71 . 1 1 12 12 MET CA C 13 56.083 0.300 . 1 . . . . 12 MET CA . 11158 1 72 . 1 1 12 12 MET CB C 13 34.056 0.300 . 1 . . . . 12 MET CB . 11158 1 73 . 1 1 12 12 MET CE C 13 17.095 0.300 . 1 . . . . 12 MET CE . 11158 1 74 . 1 1 12 12 MET CG C 13 32.368 0.300 . 1 . . . . 12 MET CG . 11158 1 75 . 1 1 12 12 MET N N 15 120.727 0.300 . 1 . . . . 12 MET N . 11158 1 76 . 1 1 13 13 ASN H H 1 7.445 0.030 . 1 . . . . 13 ASN H . 11158 1 77 . 1 1 13 13 ASN HA H 1 4.746 0.030 . 1 . . . . 13 ASN HA . 11158 1 78 . 1 1 13 13 ASN HB2 H 1 2.994 0.030 . 2 . . . . 13 ASN HB2 . 11158 1 79 . 1 1 13 13 ASN HB3 H 1 3.351 0.030 . 2 . . . . 13 ASN HB3 . 11158 1 80 . 1 1 13 13 ASN HD21 H 1 6.934 0.030 . 2 . . . . 13 ASN HD21 . 11158 1 81 . 1 1 13 13 ASN HD22 H 1 7.490 0.030 . 2 . . . . 13 ASN HD22 . 11158 1 82 . 1 1 13 13 ASN C C 13 174.656 0.300 . 1 . . . . 13 ASN C . 11158 1 83 . 1 1 13 13 ASN CA C 13 51.246 0.300 . 1 . . . . 13 ASN CA . 11158 1 84 . 1 1 13 13 ASN CB C 13 39.398 0.300 . 1 . . . . 13 ASN CB . 11158 1 85 . 1 1 13 13 ASN N N 15 119.295 0.300 . 1 . . . . 13 ASN N . 11158 1 86 . 1 1 13 13 ASN ND2 N 15 110.652 0.300 . 1 . . . . 13 ASN ND2 . 11158 1 87 . 1 1 14 14 ALA H H 1 8.558 0.030 . 1 . . . . 14 ALA H . 11158 1 88 . 1 1 14 14 ALA HA H 1 3.935 0.030 . 1 . . . . 14 ALA HA . 11158 1 89 . 1 1 14 14 ALA HB1 H 1 1.669 0.030 . 1 . . . . 14 ALA HB . 11158 1 90 . 1 1 14 14 ALA HB2 H 1 1.669 0.030 . 1 . . . . 14 ALA HB . 11158 1 91 . 1 1 14 14 ALA HB3 H 1 1.669 0.030 . 1 . . . . 14 ALA HB . 11158 1 92 . 1 1 14 14 ALA C C 13 177.431 0.300 . 1 . . . . 14 ALA C . 11158 1 93 . 1 1 14 14 ALA CA C 13 56.087 0.300 . 1 . . . . 14 ALA CA . 11158 1 94 . 1 1 14 14 ALA CB C 13 19.391 0.300 . 1 . . . . 14 ALA CB . 11158 1 95 . 1 1 14 14 ALA N N 15 121.219 0.300 . 1 . . . . 14 ALA N . 11158 1 96 . 1 1 15 15 PHE H H 1 7.851 0.030 . 1 . . . . 15 PHE H . 11158 1 97 . 1 1 15 15 PHE HA H 1 2.319 0.030 . 1 . . . . 15 PHE HA . 11158 1 98 . 1 1 15 15 PHE HB2 H 1 2.004 0.030 . 2 . . . . 15 PHE HB2 . 11158 1 99 . 1 1 15 15 PHE HB3 H 1 2.526 0.030 . 2 . . . . 15 PHE HB3 . 11158 1 100 . 1 1 15 15 PHE HD1 H 1 6.360 0.030 . 1 . . . . 15 PHE HD1 . 11158 1 101 . 1 1 15 15 PHE HD2 H 1 6.360 0.030 . 1 . . . . 15 PHE HD2 . 11158 1 102 . 1 1 15 15 PHE HE1 H 1 7.196 0.030 . 1 . . . . 15 PHE HE1 . 11158 1 103 . 1 1 15 15 PHE HE2 H 1 7.196 0.030 . 1 . . . . 15 PHE HE2 . 11158 1 104 . 1 1 15 15 PHE HZ H 1 7.213 0.030 . 1 . . . . 15 PHE HZ . 11158 1 105 . 1 1 15 15 PHE C C 13 176.365 0.300 . 1 . . . . 15 PHE C . 11158 1 106 . 1 1 15 15 PHE CA C 13 59.777 0.300 . 1 . . . . 15 PHE CA . 11158 1 107 . 1 1 15 15 PHE CB C 13 38.209 0.300 . 1 . . . . 15 PHE CB . 11158 1 108 . 1 1 15 15 PHE CD1 C 13 132.240 0.300 . 1 . . . . 15 PHE CD1 . 11158 1 109 . 1 1 15 15 PHE CD2 C 13 132.240 0.300 . 1 . . . . 15 PHE CD2 . 11158 1 110 . 1 1 15 15 PHE CE1 C 13 130.545 0.300 . 1 . . . . 15 PHE CE1 . 11158 1 111 . 1 1 15 15 PHE CE2 C 13 130.545 0.300 . 1 . . . . 15 PHE CE2 . 11158 1 112 . 1 1 15 15 PHE CZ C 13 129.209 0.300 . 1 . . . . 15 PHE CZ . 11158 1 113 . 1 1 15 15 PHE N N 15 117.384 0.300 . 1 . . . . 15 PHE N . 11158 1 114 . 1 1 16 16 MET H H 1 8.123 0.030 . 1 . . . . 16 MET H . 11158 1 115 . 1 1 16 16 MET HA H 1 3.664 0.030 . 1 . . . . 16 MET HA . 11158 1 116 . 1 1 16 16 MET HB2 H 1 2.119 0.030 . 1 . . . . 16 MET HB2 . 11158 1 117 . 1 1 16 16 MET HB3 H 1 2.119 0.030 . 1 . . . . 16 MET HB3 . 11158 1 118 . 1 1 16 16 MET HE1 H 1 2.134 0.030 . 1 . . . . 16 MET HE . 11158 1 119 . 1 1 16 16 MET HE2 H 1 2.134 0.030 . 1 . . . . 16 MET HE . 11158 1 120 . 1 1 16 16 MET HE3 H 1 2.134 0.030 . 1 . . . . 16 MET HE . 11158 1 121 . 1 1 16 16 MET HG2 H 1 2.682 0.030 . 2 . . . . 16 MET HG2 . 11158 1 122 . 1 1 16 16 MET HG3 H 1 2.951 0.030 . 2 . . . . 16 MET HG3 . 11158 1 123 . 1 1 16 16 MET C C 13 179.265 0.300 . 1 . . . . 16 MET C . 11158 1 124 . 1 1 16 16 MET CA C 13 58.531 0.300 . 1 . . . . 16 MET CA . 11158 1 125 . 1 1 16 16 MET CB C 13 33.402 0.300 . 1 . . . . 16 MET CB . 11158 1 126 . 1 1 16 16 MET CE C 13 17.404 0.300 . 1 . . . . 16 MET CE . 11158 1 127 . 1 1 16 16 MET CG C 13 32.934 0.300 . 1 . . . . 16 MET CG . 11158 1 128 . 1 1 16 16 MET N N 15 116.895 0.300 . 1 . . . . 16 MET N . 11158 1 129 . 1 1 17 17 VAL H H 1 8.054 0.030 . 1 . . . . 17 VAL H . 11158 1 130 . 1 1 17 17 VAL HA H 1 3.582 0.030 . 1 . . . . 17 VAL HA . 11158 1 131 . 1 1 17 17 VAL HB H 1 2.485 0.030 . 1 . . . . 17 VAL HB . 11158 1 132 . 1 1 17 17 VAL HG11 H 1 1.268 0.030 . 1 . . . . 17 VAL HG1 . 11158 1 133 . 1 1 17 17 VAL HG12 H 1 1.268 0.030 . 1 . . . . 17 VAL HG1 . 11158 1 134 . 1 1 17 17 VAL HG13 H 1 1.268 0.030 . 1 . . . . 17 VAL HG1 . 11158 1 135 . 1 1 17 17 VAL HG21 H 1 1.091 0.030 . 1 . . . . 17 VAL HG2 . 11158 1 136 . 1 1 17 17 VAL HG22 H 1 1.091 0.030 . 1 . . . . 17 VAL HG2 . 11158 1 137 . 1 1 17 17 VAL HG23 H 1 1.091 0.030 . 1 . . . . 17 VAL HG2 . 11158 1 138 . 1 1 17 17 VAL C C 13 178.136 0.300 . 1 . . . . 17 VAL C . 11158 1 139 . 1 1 17 17 VAL CA C 13 66.580 0.300 . 1 . . . . 17 VAL CA . 11158 1 140 . 1 1 17 17 VAL CB C 13 32.082 0.300 . 1 . . . . 17 VAL CB . 11158 1 141 . 1 1 17 17 VAL CG1 C 13 22.521 0.300 . 2 . . . . 17 VAL CG1 . 11158 1 142 . 1 1 17 17 VAL CG2 C 13 23.058 0.300 . 2 . . . . 17 VAL CG2 . 11158 1 143 . 1 1 17 17 VAL N N 15 120.178 0.300 . 1 . . . . 17 VAL N . 11158 1 144 . 1 1 18 18 TRP H H 1 7.896 0.030 . 1 . . . . 18 TRP H . 11158 1 145 . 1 1 18 18 TRP HA H 1 3.689 0.030 . 1 . . . . 18 TRP HA . 11158 1 146 . 1 1 18 18 TRP HB2 H 1 2.847 0.030 . 2 . . . . 18 TRP HB2 . 11158 1 147 . 1 1 18 18 TRP HB3 H 1 2.090 0.030 . 2 . . . . 18 TRP HB3 . 11158 1 148 . 1 1 18 18 TRP HD1 H 1 6.292 0.030 . 1 . . . . 18 TRP HD1 . 11158 1 149 . 1 1 18 18 TRP HE1 H 1 10.210 0.030 . 1 . . . . 18 TRP HE1 . 11158 1 150 . 1 1 18 18 TRP HE3 H 1 6.993 0.030 . 1 . . . . 18 TRP HE3 . 11158 1 151 . 1 1 18 18 TRP HH2 H 1 7.483 0.030 . 1 . . . . 18 TRP HH2 . 11158 1 152 . 1 1 18 18 TRP HZ2 H 1 7.366 0.030 . 1 . . . . 18 TRP HZ2 . 11158 1 153 . 1 1 18 18 TRP HZ3 H 1 6.998 0.030 . 1 . . . . 18 TRP HZ3 . 11158 1 154 . 1 1 18 18 TRP C C 13 178.610 0.300 . 1 . . . . 18 TRP C . 11158 1 155 . 1 1 18 18 TRP CA C 13 60.797 0.300 . 1 . . . . 18 TRP CA . 11158 1 156 . 1 1 18 18 TRP CB C 13 28.846 0.300 . 1 . . . . 18 TRP CB . 11158 1 157 . 1 1 18 18 TRP CD1 C 13 127.838 0.300 . 1 . . . . 18 TRP CD1 . 11158 1 158 . 1 1 18 18 TRP CE3 C 13 120.713 0.300 . 1 . . . . 18 TRP CE3 . 11158 1 159 . 1 1 18 18 TRP CH2 C 13 124.524 0.300 . 1 . . . . 18 TRP CH2 . 11158 1 160 . 1 1 18 18 TRP CZ2 C 13 113.603 0.300 . 1 . . . . 18 TRP CZ2 . 11158 1 161 . 1 1 18 18 TRP CZ3 C 13 122.040 0.300 . 1 . . . . 18 TRP CZ3 . 11158 1 162 . 1 1 18 18 TRP N N 15 122.203 0.300 . 1 . . . . 18 TRP N . 11158 1 163 . 1 1 18 18 TRP NE1 N 15 130.242 0.300 . 1 . . . . 18 TRP NE1 . 11158 1 164 . 1 1 19 19 ALA H H 1 9.191 0.030 . 1 . . . . 19 ALA H . 11158 1 165 . 1 1 19 19 ALA HA H 1 2.900 0.030 . 1 . . . . 19 ALA HA . 11158 1 166 . 1 1 19 19 ALA HB1 H 1 0.773 0.030 . 1 . . . . 19 ALA HB . 11158 1 167 . 1 1 19 19 ALA HB2 H 1 0.773 0.030 . 1 . . . . 19 ALA HB . 11158 1 168 . 1 1 19 19 ALA HB3 H 1 0.773 0.030 . 1 . . . . 19 ALA HB . 11158 1 169 . 1 1 19 19 ALA CA C 13 54.184 0.300 . 1 . . . . 19 ALA CA . 11158 1 170 . 1 1 19 19 ALA CB C 13 18.363 0.300 . 1 . . . . 19 ALA CB . 11158 1 171 . 1 1 19 19 ALA N N 15 120.158 0.300 . 1 . . . . 19 ALA N . 11158 1 172 . 1 1 20 20 LYS H H 1 7.357 0.030 . 1 . . . . 20 LYS H . 11158 1 173 . 1 1 20 20 LYS HA H 1 3.810 0.030 . 1 . . . . 20 LYS HA . 11158 1 174 . 1 1 20 20 LYS HB2 H 1 1.846 0.030 . 2 . . . . 20 LYS HB2 . 11158 1 175 . 1 1 20 20 LYS HB3 H 1 1.812 0.030 . 2 . . . . 20 LYS HB3 . 11158 1 176 . 1 1 20 20 LYS HD2 H 1 1.673 0.030 . 1 . . . . 20 LYS HD2 . 11158 1 177 . 1 1 20 20 LYS HD3 H 1 1.673 0.030 . 1 . . . . 20 LYS HD3 . 11158 1 178 . 1 1 20 20 LYS HE2 H 1 3.026 0.030 . 1 . . . . 20 LYS HE2 . 11158 1 179 . 1 1 20 20 LYS HE3 H 1 3.026 0.030 . 1 . . . . 20 LYS HE3 . 11158 1 180 . 1 1 20 20 LYS HG2 H 1 1.462 0.030 . 2 . . . . 20 LYS HG2 . 11158 1 181 . 1 1 20 20 LYS HG3 H 1 1.406 0.030 . 2 . . . . 20 LYS HG3 . 11158 1 182 . 1 1 20 20 LYS CA C 13 59.664 0.300 . 1 . . . . 20 LYS CA . 11158 1 183 . 1 1 20 20 LYS CB C 13 31.582 0.300 . 1 . . . . 20 LYS CB . 11158 1 184 . 1 1 20 20 LYS CD C 13 29.473 0.300 . 1 . . . . 20 LYS CD . 11158 1 185 . 1 1 20 20 LYS CE C 13 41.890 0.300 . 1 . . . . 20 LYS CE . 11158 1 186 . 1 1 20 20 LYS CG C 13 24.033 0.300 . 1 . . . . 20 LYS CG . 11158 1 187 . 1 1 20 20 LYS N N 15 117.779 0.300 . 1 . . . . 20 LYS N . 11158 1 188 . 1 1 21 21 ASP H H 1 6.932 0.030 . 1 . . . . 21 ASP H . 11158 1 189 . 1 1 21 21 ASP HA H 1 4.692 0.030 . 1 . . . . 21 ASP HA . 11158 1 190 . 1 1 21 21 ASP HB2 H 1 2.645 0.030 . 2 . . . . 21 ASP HB2 . 11158 1 191 . 1 1 21 21 ASP HB3 H 1 2.609 0.030 . 2 . . . . 21 ASP HB3 . 11158 1 192 . 1 1 21 21 ASP C C 13 178.388 0.300 . 1 . . . . 21 ASP C . 11158 1 193 . 1 1 21 21 ASP CA C 13 55.970 0.300 . 1 . . . . 21 ASP CA . 11158 1 194 . 1 1 21 21 ASP CB C 13 40.986 0.300 . 1 . . . . 21 ASP CB . 11158 1 195 . 1 1 21 21 ASP N N 15 115.846 0.300 . 1 . . . . 21 ASP N . 11158 1 196 . 1 1 22 22 GLU H H 1 7.471 0.030 . 1 . . . . 22 GLU H . 11158 1 197 . 1 1 22 22 GLU HA H 1 4.032 0.030 . 1 . . . . 22 GLU HA . 11158 1 198 . 1 1 22 22 GLU HB2 H 1 0.522 0.030 . 2 . . . . 22 GLU HB2 . 11158 1 199 . 1 1 22 22 GLU HB3 H 1 0.373 0.030 . 2 . . . . 22 GLU HB3 . 11158 1 200 . 1 1 22 22 GLU HG2 H 1 1.621 0.030 . 2 . . . . 22 GLU HG2 . 11158 1 201 . 1 1 22 22 GLU HG3 H 1 1.777 0.030 . 2 . . . . 22 GLU HG3 . 11158 1 202 . 1 1 22 22 GLU C C 13 178.161 0.300 . 1 . . . . 22 GLU C . 11158 1 203 . 1 1 22 22 GLU CA C 13 58.226 0.300 . 1 . . . . 22 GLU CA . 11158 1 204 . 1 1 22 22 GLU CB C 13 28.109 0.300 . 1 . . . . 22 GLU CB . 11158 1 205 . 1 1 22 22 GLU CG C 13 33.887 0.300 . 1 . . . . 22 GLU CG . 11158 1 206 . 1 1 22 22 GLU N N 15 123.374 0.300 . 1 . . . . 22 GLU N . 11158 1 207 . 1 1 23 23 ARG H H 1 8.769 0.030 . 1 . . . . 23 ARG H . 11158 1 208 . 1 1 23 23 ARG HA H 1 3.585 0.030 . 1 . . . . 23 ARG HA . 11158 1 209 . 1 1 23 23 ARG HB2 H 1 1.803 0.030 . 2 . . . . 23 ARG HB2 . 11158 1 210 . 1 1 23 23 ARG HB3 H 1 1.653 0.030 . 2 . . . . 23 ARG HB3 . 11158 1 211 . 1 1 23 23 ARG HD2 H 1 3.251 0.030 . 2 . . . . 23 ARG HD2 . 11158 1 212 . 1 1 23 23 ARG HD3 H 1 3.038 0.030 . 2 . . . . 23 ARG HD3 . 11158 1 213 . 1 1 23 23 ARG HG2 H 1 1.405 0.030 . 2 . . . . 23 ARG HG2 . 11158 1 214 . 1 1 23 23 ARG HG3 H 1 1.598 0.030 . 2 . . . . 23 ARG HG3 . 11158 1 215 . 1 1 23 23 ARG C C 13 177.520 0.300 . 1 . . . . 23 ARG C . 11158 1 216 . 1 1 23 23 ARG CA C 13 60.200 0.300 . 1 . . . . 23 ARG CA . 11158 1 217 . 1 1 23 23 ARG CB C 13 30.164 0.300 . 1 . . . . 23 ARG CB . 11158 1 218 . 1 1 23 23 ARG CD C 13 43.042 0.300 . 1 . . . . 23 ARG CD . 11158 1 219 . 1 1 23 23 ARG CG C 13 28.097 0.300 . 1 . . . . 23 ARG CG . 11158 1 220 . 1 1 23 23 ARG N N 15 118.298 0.300 . 1 . . . . 23 ARG N . 11158 1 221 . 1 1 24 24 LYS H H 1 6.525 0.030 . 1 . . . . 24 LYS H . 11158 1 222 . 1 1 24 24 LYS HA H 1 3.996 0.030 . 1 . . . . 24 LYS HA . 11158 1 223 . 1 1 24 24 LYS HB2 H 1 1.870 0.030 . 1 . . . . 24 LYS HB2 . 11158 1 224 . 1 1 24 24 LYS HB3 H 1 1.870 0.030 . 1 . . . . 24 LYS HB3 . 11158 1 225 . 1 1 24 24 LYS HD2 H 1 1.722 0.030 . 1 . . . . 24 LYS HD2 . 11158 1 226 . 1 1 24 24 LYS HD3 H 1 1.722 0.030 . 1 . . . . 24 LYS HD3 . 11158 1 227 . 1 1 24 24 LYS HE2 H 1 2.980 0.030 . 1 . . . . 24 LYS HE2 . 11158 1 228 . 1 1 24 24 LYS HE3 H 1 2.980 0.030 . 1 . . . . 24 LYS HE3 . 11158 1 229 . 1 1 24 24 LYS HG2 H 1 1.572 0.030 . 2 . . . . 24 LYS HG2 . 11158 1 230 . 1 1 24 24 LYS HG3 H 1 1.367 0.030 . 2 . . . . 24 LYS HG3 . 11158 1 231 . 1 1 24 24 LYS C C 13 178.800 0.300 . 1 . . . . 24 LYS C . 11158 1 232 . 1 1 24 24 LYS CA C 13 59.128 0.300 . 1 . . . . 24 LYS CA . 11158 1 233 . 1 1 24 24 LYS CB C 13 32.325 0.300 . 1 . . . . 24 LYS CB . 11158 1 234 . 1 1 24 24 LYS CD C 13 29.519 0.300 . 1 . . . . 24 LYS CD . 11158 1 235 . 1 1 24 24 LYS CE C 13 42.042 0.300 . 1 . . . . 24 LYS CE . 11158 1 236 . 1 1 24 24 LYS CG C 13 25.014 0.300 . 1 . . . . 24 LYS CG . 11158 1 237 . 1 1 24 24 LYS N N 15 115.916 0.300 . 1 . . . . 24 LYS N . 11158 1 238 . 1 1 25 25 ARG H H 1 7.388 0.030 . 1 . . . . 25 ARG H . 11158 1 239 . 1 1 25 25 ARG HA H 1 3.995 0.030 . 1 . . . . 25 ARG HA . 11158 1 240 . 1 1 25 25 ARG HB2 H 1 1.802 0.030 . 1 . . . . 25 ARG HB2 . 11158 1 241 . 1 1 25 25 ARG HB3 H 1 1.802 0.030 . 1 . . . . 25 ARG HB3 . 11158 1 242 . 1 1 25 25 ARG HD2 H 1 3.109 0.030 . 2 . . . . 25 ARG HD2 . 11158 1 243 . 1 1 25 25 ARG HD3 H 1 3.255 0.030 . 2 . . . . 25 ARG HD3 . 11158 1 244 . 1 1 25 25 ARG HE H 1 7.722 0.030 . 1 . . . . 25 ARG HE . 11158 1 245 . 1 1 25 25 ARG HG2 H 1 1.405 0.030 . 2 . . . . 25 ARG HG2 . 11158 1 246 . 1 1 25 25 ARG HG3 H 1 1.636 0.030 . 2 . . . . 25 ARG HG3 . 11158 1 247 . 1 1 25 25 ARG C C 13 179.408 0.300 . 1 . . . . 25 ARG C . 11158 1 248 . 1 1 25 25 ARG CA C 13 59.490 0.300 . 1 . . . . 25 ARG CA . 11158 1 249 . 1 1 25 25 ARG CB C 13 30.618 0.300 . 1 . . . . 25 ARG CB . 11158 1 250 . 1 1 25 25 ARG CD C 13 43.019 0.300 . 1 . . . . 25 ARG CD . 11158 1 251 . 1 1 25 25 ARG CG C 13 28.118 0.300 . 1 . . . . 25 ARG CG . 11158 1 252 . 1 1 25 25 ARG N N 15 120.151 0.300 . 1 . . . . 25 ARG N . 11158 1 253 . 1 1 25 25 ARG NE N 15 112.492 0.300 . 1 . . . . 25 ARG NE . 11158 1 254 . 1 1 26 26 LEU H H 1 8.439 0.030 . 1 . . . . 26 LEU H . 11158 1 255 . 1 1 26 26 LEU HA H 1 3.931 0.030 . 1 . . . . 26 LEU HA . 11158 1 256 . 1 1 26 26 LEU HB2 H 1 1.769 0.030 . 2 . . . . 26 LEU HB2 . 11158 1 257 . 1 1 26 26 LEU HB3 H 1 1.289 0.030 . 2 . . . . 26 LEU HB3 . 11158 1 258 . 1 1 26 26 LEU HD11 H 1 0.852 0.030 . 1 . . . . 26 LEU HD1 . 11158 1 259 . 1 1 26 26 LEU HD12 H 1 0.852 0.030 . 1 . . . . 26 LEU HD1 . 11158 1 260 . 1 1 26 26 LEU HD13 H 1 0.852 0.030 . 1 . . . . 26 LEU HD1 . 11158 1 261 . 1 1 26 26 LEU HD21 H 1 0.838 0.030 . 1 . . . . 26 LEU HD2 . 11158 1 262 . 1 1 26 26 LEU HD22 H 1 0.838 0.030 . 1 . . . . 26 LEU HD2 . 11158 1 263 . 1 1 26 26 LEU HD23 H 1 0.838 0.030 . 1 . . . . 26 LEU HD2 . 11158 1 264 . 1 1 26 26 LEU HG H 1 1.736 0.030 . 1 . . . . 26 LEU HG . 11158 1 265 . 1 1 26 26 LEU C C 13 179.699 0.300 . 1 . . . . 26 LEU C . 11158 1 266 . 1 1 26 26 LEU CA C 13 57.662 0.300 . 1 . . . . 26 LEU CA . 11158 1 267 . 1 1 26 26 LEU CB C 13 42.624 0.300 . 1 . . . . 26 LEU CB . 11158 1 268 . 1 1 26 26 LEU CD1 C 13 25.739 0.300 . 2 . . . . 26 LEU CD1 . 11158 1 269 . 1 1 26 26 LEU CD2 C 13 22.833 0.300 . 2 . . . . 26 LEU CD2 . 11158 1 270 . 1 1 26 26 LEU CG C 13 26.853 0.300 . 1 . . . . 26 LEU CG . 11158 1 271 . 1 1 26 26 LEU N N 15 118.910 0.300 . 1 . . . . 26 LEU N . 11158 1 272 . 1 1 27 27 ALA H H 1 8.283 0.030 . 1 . . . . 27 ALA H . 11158 1 273 . 1 1 27 27 ALA HA H 1 4.055 0.030 . 1 . . . . 27 ALA HA . 11158 1 274 . 1 1 27 27 ALA HB1 H 1 1.411 0.030 . 1 . . . . 27 ALA HB . 11158 1 275 . 1 1 27 27 ALA HB2 H 1 1.411 0.030 . 1 . . . . 27 ALA HB . 11158 1 276 . 1 1 27 27 ALA HB3 H 1 1.411 0.030 . 1 . . . . 27 ALA HB . 11158 1 277 . 1 1 27 27 ALA C C 13 179.712 0.300 . 1 . . . . 27 ALA C . 11158 1 278 . 1 1 27 27 ALA CA C 13 54.586 0.300 . 1 . . . . 27 ALA CA . 11158 1 279 . 1 1 27 27 ALA CB C 13 18.265 0.300 . 1 . . . . 27 ALA CB . 11158 1 280 . 1 1 27 27 ALA N N 15 121.577 0.300 . 1 . . . . 27 ALA N . 11158 1 281 . 1 1 28 28 GLN H H 1 7.549 0.030 . 1 . . . . 28 GLN H . 11158 1 282 . 1 1 28 28 GLN HA H 1 4.017 0.030 . 1 . . . . 28 GLN HA . 11158 1 283 . 1 1 28 28 GLN HB2 H 1 2.160 0.030 . 1 . . . . 28 GLN HB2 . 11158 1 284 . 1 1 28 28 GLN HB3 H 1 2.160 0.030 . 1 . . . . 28 GLN HB3 . 11158 1 285 . 1 1 28 28 GLN HE21 H 1 6.798 0.030 . 2 . . . . 28 GLN HE21 . 11158 1 286 . 1 1 28 28 GLN HE22 H 1 7.481 0.030 . 2 . . . . 28 GLN HE22 . 11158 1 287 . 1 1 28 28 GLN HG2 H 1 2.523 0.030 . 2 . . . . 28 GLN HG2 . 11158 1 288 . 1 1 28 28 GLN HG3 H 1 2.409 0.030 . 2 . . . . 28 GLN HG3 . 11158 1 289 . 1 1 28 28 GLN C C 13 178.018 0.300 . 1 . . . . 28 GLN C . 11158 1 290 . 1 1 28 28 GLN CA C 13 58.085 0.300 . 1 . . . . 28 GLN CA . 11158 1 291 . 1 1 28 28 GLN CB C 13 28.573 0.300 . 1 . . . . 28 GLN CB . 11158 1 292 . 1 1 28 28 GLN CG C 13 34.042 0.300 . 1 . . . . 28 GLN CG . 11158 1 293 . 1 1 28 28 GLN N N 15 115.815 0.300 . 1 . . . . 28 GLN N . 11158 1 294 . 1 1 28 28 GLN NE2 N 15 111.237 0.300 . 1 . . . . 28 GLN NE2 . 11158 1 295 . 1 1 29 29 GLN H H 1 7.558 0.030 . 1 . . . . 29 GLN H . 11158 1 296 . 1 1 29 29 GLN HA H 1 4.152 0.030 . 1 . . . . 29 GLN HA . 11158 1 297 . 1 1 29 29 GLN HB2 H 1 2.142 0.030 . 2 . . . . 29 GLN HB2 . 11158 1 298 . 1 1 29 29 GLN HB3 H 1 2.023 0.030 . 2 . . . . 29 GLN HB3 . 11158 1 299 . 1 1 29 29 GLN HE21 H 1 6.807 0.030 . 2 . . . . 29 GLN HE21 . 11158 1 300 . 1 1 29 29 GLN HE22 H 1 7.434 0.030 . 2 . . . . 29 GLN HE22 . 11158 1 301 . 1 1 29 29 GLN HG2 H 1 2.407 0.030 . 2 . . . . 29 GLN HG2 . 11158 1 302 . 1 1 29 29 GLN HG3 H 1 2.523 0.030 . 2 . . . . 29 GLN HG3 . 11158 1 303 . 1 1 29 29 GLN C C 13 175.894 0.300 . 1 . . . . 29 GLN C . 11158 1 304 . 1 1 29 29 GLN CA C 13 56.996 0.300 . 1 . . . . 29 GLN CA . 11158 1 305 . 1 1 29 29 GLN CB C 13 29.845 0.300 . 1 . . . . 29 GLN CB . 11158 1 306 . 1 1 29 29 GLN CG C 13 34.137 0.300 . 1 . . . . 29 GLN CG . 11158 1 307 . 1 1 29 29 GLN N N 15 115.798 0.300 . 1 . . . . 29 GLN N . 11158 1 308 . 1 1 29 29 GLN NE2 N 15 111.501 0.300 . 1 . . . . 29 GLN NE2 . 11158 1 309 . 1 1 30 30 ASN H H 1 7.694 0.030 . 1 . . . . 30 ASN H . 11158 1 310 . 1 1 30 30 ASN HA H 1 5.159 0.030 . 1 . . . . 30 ASN HA . 11158 1 311 . 1 1 30 30 ASN HB2 H 1 2.753 0.030 . 2 . . . . 30 ASN HB2 . 11158 1 312 . 1 1 30 30 ASN HB3 H 1 2.616 0.030 . 2 . . . . 30 ASN HB3 . 11158 1 313 . 1 1 30 30 ASN HD21 H 1 7.413 0.030 . 2 . . . . 30 ASN HD21 . 11158 1 314 . 1 1 30 30 ASN HD22 H 1 7.636 0.030 . 2 . . . . 30 ASN HD22 . 11158 1 315 . 1 1 30 30 ASN C C 13 172.179 0.300 . 1 . . . . 30 ASN C . 11158 1 316 . 1 1 30 30 ASN CA C 13 50.964 0.300 . 1 . . . . 30 ASN CA . 11158 1 317 . 1 1 30 30 ASN CB C 13 40.085 0.300 . 1 . . . . 30 ASN CB . 11158 1 318 . 1 1 30 30 ASN N N 15 115.326 0.300 . 1 . . . . 30 ASN N . 11158 1 319 . 1 1 30 30 ASN ND2 N 15 114.587 0.300 . 1 . . . . 30 ASN ND2 . 11158 1 320 . 1 1 31 31 PRO HA H 1 4.545 0.030 . 1 . . . . 31 PRO HA . 11158 1 321 . 1 1 31 31 PRO HB2 H 1 1.996 0.030 . 2 . . . . 31 PRO HB2 . 11158 1 322 . 1 1 31 31 PRO HB3 H 1 2.348 0.030 . 2 . . . . 31 PRO HB3 . 11158 1 323 . 1 1 31 31 PRO HD2 H 1 3.687 0.030 . 2 . . . . 31 PRO HD2 . 11158 1 324 . 1 1 31 31 PRO HD3 H 1 3.393 0.030 . 2 . . . . 31 PRO HD3 . 11158 1 325 . 1 1 31 31 PRO HG2 H 1 1.921 0.030 . 2 . . . . 31 PRO HG2 . 11158 1 326 . 1 1 31 31 PRO HG3 H 1 2.001 0.030 . 2 . . . . 31 PRO HG3 . 11158 1 327 . 1 1 31 31 PRO C C 13 176.777 0.300 . 1 . . . . 31 PRO C . 11158 1 328 . 1 1 31 31 PRO CA C 13 64.553 0.300 . 1 . . . . 31 PRO CA . 11158 1 329 . 1 1 31 31 PRO CB C 13 32.161 0.300 . 1 . . . . 31 PRO CB . 11158 1 330 . 1 1 31 31 PRO CD C 13 50.452 0.300 . 1 . . . . 31 PRO CD . 11158 1 331 . 1 1 31 31 PRO CG C 13 27.064 0.300 . 1 . . . . 31 PRO CG . 11158 1 332 . 1 1 32 32 ASP H H 1 8.387 0.030 . 1 . . . . 32 ASP H . 11158 1 333 . 1 1 32 32 ASP HA H 1 4.632 0.030 . 1 . . . . 32 ASP HA . 11158 1 334 . 1 1 32 32 ASP HB2 H 1 2.590 0.030 . 2 . . . . 32 ASP HB2 . 11158 1 335 . 1 1 32 32 ASP HB3 H 1 2.764 0.030 . 2 . . . . 32 ASP HB3 . 11158 1 336 . 1 1 32 32 ASP C C 13 176.371 0.300 . 1 . . . . 32 ASP C . 11158 1 337 . 1 1 32 32 ASP CA C 13 54.207 0.300 . 1 . . . . 32 ASP CA . 11158 1 338 . 1 1 32 32 ASP CB C 13 40.813 0.300 . 1 . . . . 32 ASP CB . 11158 1 339 . 1 1 32 32 ASP N N 15 116.164 0.300 . 1 . . . . 32 ASP N . 11158 1 340 . 1 1 33 33 LEU H H 1 7.250 0.030 . 1 . . . . 33 LEU H . 11158 1 341 . 1 1 33 33 LEU HA H 1 4.307 0.030 . 1 . . . . 33 LEU HA . 11158 1 342 . 1 1 33 33 LEU HB2 H 1 1.439 0.030 . 2 . . . . 33 LEU HB2 . 11158 1 343 . 1 1 33 33 LEU HB3 H 1 1.700 0.030 . 2 . . . . 33 LEU HB3 . 11158 1 344 . 1 1 33 33 LEU HD11 H 1 0.882 0.030 . 1 . . . . 33 LEU HD1 . 11158 1 345 . 1 1 33 33 LEU HD12 H 1 0.882 0.030 . 1 . . . . 33 LEU HD1 . 11158 1 346 . 1 1 33 33 LEU HD13 H 1 0.882 0.030 . 1 . . . . 33 LEU HD1 . 11158 1 347 . 1 1 33 33 LEU HD21 H 1 0.819 0.030 . 1 . . . . 33 LEU HD2 . 11158 1 348 . 1 1 33 33 LEU HD22 H 1 0.819 0.030 . 1 . . . . 33 LEU HD2 . 11158 1 349 . 1 1 33 33 LEU HD23 H 1 0.819 0.030 . 1 . . . . 33 LEU HD2 . 11158 1 350 . 1 1 33 33 LEU HG H 1 1.659 0.030 . 1 . . . . 33 LEU HG . 11158 1 351 . 1 1 33 33 LEU C C 13 176.946 0.300 . 1 . . . . 33 LEU C . 11158 1 352 . 1 1 33 33 LEU CA C 13 54.983 0.300 . 1 . . . . 33 LEU CA . 11158 1 353 . 1 1 33 33 LEU CB C 13 42.764 0.300 . 1 . . . . 33 LEU CB . 11158 1 354 . 1 1 33 33 LEU CD1 C 13 25.814 0.300 . 2 . . . . 33 LEU CD1 . 11158 1 355 . 1 1 33 33 LEU CD2 C 13 23.708 0.300 . 2 . . . . 33 LEU CD2 . 11158 1 356 . 1 1 33 33 LEU CG C 13 26.755 0.300 . 1 . . . . 33 LEU CG . 11158 1 357 . 1 1 33 33 LEU N N 15 120.291 0.300 . 1 . . . . 33 LEU N . 11158 1 358 . 1 1 34 34 HIS H H 1 8.765 0.030 . 1 . . . . 34 HIS H . 11158 1 359 . 1 1 34 34 HIS HA H 1 4.631 0.030 . 1 . . . . 34 HIS HA . 11158 1 360 . 1 1 34 34 HIS HB2 H 1 3.286 0.030 . 2 . . . . 34 HIS HB2 . 11158 1 361 . 1 1 34 34 HIS HB3 H 1 3.243 0.030 . 2 . . . . 34 HIS HB3 . 11158 1 362 . 1 1 34 34 HIS HD2 H 1 7.199 0.030 . 1 . . . . 34 HIS HD2 . 11158 1 363 . 1 1 34 34 HIS HE1 H 1 7.921 0.030 . 1 . . . . 34 HIS HE1 . 11158 1 364 . 1 1 34 34 HIS C C 13 176.743 0.300 . 1 . . . . 34 HIS C . 11158 1 365 . 1 1 34 34 HIS CA C 13 56.005 0.300 . 1 . . . . 34 HIS CA . 11158 1 366 . 1 1 34 34 HIS CB C 13 31.761 0.300 . 1 . . . . 34 HIS CB . 11158 1 367 . 1 1 34 34 HIS CD2 C 13 119.116 0.300 . 1 . . . . 34 HIS CD2 . 11158 1 368 . 1 1 34 34 HIS CE1 C 13 138.518 0.300 . 1 . . . . 34 HIS CE1 . 11158 1 369 . 1 1 34 34 HIS N N 15 122.884 0.300 . 1 . . . . 34 HIS N . 11158 1 370 . 1 1 35 35 ASN HA H 1 4.362 0.030 . 1 . . . . 35 ASN HA . 11158 1 371 . 1 1 35 35 ASN HB2 H 1 2.785 0.030 . 1 . . . . 35 ASN HB2 . 11158 1 372 . 1 1 35 35 ASN HB3 H 1 2.785 0.030 . 1 . . . . 35 ASN HB3 . 11158 1 373 . 1 1 35 35 ASN HD21 H 1 7.737 0.030 . 2 . . . . 35 ASN HD21 . 11158 1 374 . 1 1 35 35 ASN HD22 H 1 7.021 0.030 . 2 . . . . 35 ASN HD22 . 11158 1 375 . 1 1 35 35 ASN CA C 13 57.340 0.300 . 1 . . . . 35 ASN CA . 11158 1 376 . 1 1 35 35 ASN CB C 13 38.919 0.300 . 1 . . . . 35 ASN CB . 11158 1 377 . 1 1 35 35 ASN ND2 N 15 114.381 0.300 . 1 . . . . 35 ASN ND2 . 11158 1 378 . 1 1 36 36 ALA HA H 1 4.249 0.030 . 1 . . . . 36 ALA HA . 11158 1 379 . 1 1 36 36 ALA HB1 H 1 1.542 0.030 . 1 . . . . 36 ALA HB . 11158 1 380 . 1 1 36 36 ALA HB2 H 1 1.542 0.030 . 1 . . . . 36 ALA HB . 11158 1 381 . 1 1 36 36 ALA HB3 H 1 1.542 0.030 . 1 . . . . 36 ALA HB . 11158 1 382 . 1 1 36 36 ALA C C 13 180.818 0.300 . 1 . . . . 36 ALA C . 11158 1 383 . 1 1 36 36 ALA CA C 13 55.508 0.300 . 1 . . . . 36 ALA CA . 11158 1 384 . 1 1 36 36 ALA CB C 13 18.237 0.300 . 1 . . . . 36 ALA CB . 11158 1 385 . 1 1 37 37 GLU H H 1 7.657 0.030 . 1 . . . . 37 GLU H . 11158 1 386 . 1 1 37 37 GLU HA H 1 4.197 0.030 . 1 . . . . 37 GLU HA . 11158 1 387 . 1 1 37 37 GLU HB2 H 1 2.238 0.030 . 2 . . . . 37 GLU HB2 . 11158 1 388 . 1 1 37 37 GLU HB3 H 1 2.096 0.030 . 2 . . . . 37 GLU HB3 . 11158 1 389 . 1 1 37 37 GLU HG2 H 1 2.359 0.030 . 1 . . . . 37 GLU HG2 . 11158 1 390 . 1 1 37 37 GLU HG3 H 1 2.359 0.030 . 1 . . . . 37 GLU HG3 . 11158 1 391 . 1 1 37 37 GLU C C 13 179.421 0.300 . 1 . . . . 37 GLU C . 11158 1 392 . 1 1 37 37 GLU CA C 13 58.737 0.300 . 1 . . . . 37 GLU CA . 11158 1 393 . 1 1 37 37 GLU CB C 13 29.782 0.300 . 1 . . . . 37 GLU CB . 11158 1 394 . 1 1 37 37 GLU CG C 13 36.560 0.300 . 1 . . . . 37 GLU CG . 11158 1 395 . 1 1 37 37 GLU N N 15 118.568 0.300 . 1 . . . . 37 GLU N . 11158 1 396 . 1 1 38 38 LEU H H 1 8.151 0.030 . 1 . . . . 38 LEU H . 11158 1 397 . 1 1 38 38 LEU HA H 1 4.131 0.030 . 1 . . . . 38 LEU HA . 11158 1 398 . 1 1 38 38 LEU HB2 H 1 1.498 0.030 . 2 . . . . 38 LEU HB2 . 11158 1 399 . 1 1 38 38 LEU HB3 H 1 1.865 0.030 . 2 . . . . 38 LEU HB3 . 11158 1 400 . 1 1 38 38 LEU HD11 H 1 0.907 0.030 . 1 . . . . 38 LEU HD1 . 11158 1 401 . 1 1 38 38 LEU HD12 H 1 0.907 0.030 . 1 . . . . 38 LEU HD1 . 11158 1 402 . 1 1 38 38 LEU HD13 H 1 0.907 0.030 . 1 . . . . 38 LEU HD1 . 11158 1 403 . 1 1 38 38 LEU HD21 H 1 0.872 0.030 . 1 . . . . 38 LEU HD2 . 11158 1 404 . 1 1 38 38 LEU HD22 H 1 0.872 0.030 . 1 . . . . 38 LEU HD2 . 11158 1 405 . 1 1 38 38 LEU HD23 H 1 0.872 0.030 . 1 . . . . 38 LEU HD2 . 11158 1 406 . 1 1 38 38 LEU HG H 1 1.628 0.030 . 1 . . . . 38 LEU HG . 11158 1 407 . 1 1 38 38 LEU C C 13 179.130 0.300 . 1 . . . . 38 LEU C . 11158 1 408 . 1 1 38 38 LEU CA C 13 58.342 0.300 . 1 . . . . 38 LEU CA . 11158 1 409 . 1 1 38 38 LEU CB C 13 41.800 0.300 . 1 . . . . 38 LEU CB . 11158 1 410 . 1 1 38 38 LEU CD1 C 13 25.258 0.300 . 2 . . . . 38 LEU CD1 . 11158 1 411 . 1 1 38 38 LEU CD2 C 13 24.694 0.300 . 2 . . . . 38 LEU CD2 . 11158 1 412 . 1 1 38 38 LEU CG C 13 27.155 0.300 . 1 . . . . 38 LEU CG . 11158 1 413 . 1 1 38 38 LEU N N 15 121.265 0.300 . 1 . . . . 38 LEU N . 11158 1 414 . 1 1 39 39 SER H H 1 8.522 0.030 . 1 . . . . 39 SER H . 11158 1 415 . 1 1 39 39 SER HA H 1 4.207 0.030 . 1 . . . . 39 SER HA . 11158 1 416 . 1 1 39 39 SER HB2 H 1 4.082 0.030 . 2 . . . . 39 SER HB2 . 11158 1 417 . 1 1 39 39 SER HB3 H 1 4.016 0.030 . 2 . . . . 39 SER HB3 . 11158 1 418 . 1 1 39 39 SER C C 13 177.240 0.300 . 1 . . . . 39 SER C . 11158 1 419 . 1 1 39 39 SER CA C 13 62.563 0.300 . 1 . . . . 39 SER CA . 11158 1 420 . 1 1 39 39 SER CB C 13 62.663 0.300 . 1 . . . . 39 SER CB . 11158 1 421 . 1 1 39 39 SER N N 15 113.929 0.300 . 1 . . . . 39 SER N . 11158 1 422 . 1 1 40 40 LYS H H 1 7.581 0.030 . 1 . . . . 40 LYS H . 11158 1 423 . 1 1 40 40 LYS HA H 1 4.166 0.030 . 1 . . . . 40 LYS HA . 11158 1 424 . 1 1 40 40 LYS HB2 H 1 2.007 0.030 . 1 . . . . 40 LYS HB2 . 11158 1 425 . 1 1 40 40 LYS HB3 H 1 2.007 0.030 . 1 . . . . 40 LYS HB3 . 11158 1 426 . 1 1 40 40 LYS HD2 H 1 1.728 0.030 . 1 . . . . 40 LYS HD2 . 11158 1 427 . 1 1 40 40 LYS HD3 H 1 1.728 0.030 . 1 . . . . 40 LYS HD3 . 11158 1 428 . 1 1 40 40 LYS HE2 H 1 2.980 0.030 . 1 . . . . 40 LYS HE2 . 11158 1 429 . 1 1 40 40 LYS HE3 H 1 2.980 0.030 . 1 . . . . 40 LYS HE3 . 11158 1 430 . 1 1 40 40 LYS HG2 H 1 1.470 0.030 . 2 . . . . 40 LYS HG2 . 11158 1 431 . 1 1 40 40 LYS HG3 H 1 1.672 0.030 . 2 . . . . 40 LYS HG3 . 11158 1 432 . 1 1 40 40 LYS C C 13 179.530 0.300 . 1 . . . . 40 LYS C . 11158 1 433 . 1 1 40 40 LYS CA C 13 59.577 0.300 . 1 . . . . 40 LYS CA . 11158 1 434 . 1 1 40 40 LYS CB C 13 32.492 0.300 . 1 . . . . 40 LYS CB . 11158 1 435 . 1 1 40 40 LYS CD C 13 29.491 0.300 . 1 . . . . 40 LYS CD . 11158 1 436 . 1 1 40 40 LYS CE C 13 42.047 0.300 . 1 . . . . 40 LYS CE . 11158 1 437 . 1 1 40 40 LYS CG C 13 25.177 0.300 . 1 . . . . 40 LYS CG . 11158 1 438 . 1 1 40 40 LYS N N 15 122.749 0.300 . 1 . . . . 40 LYS N . 11158 1 439 . 1 1 41 41 MET H H 1 8.105 0.030 . 1 . . . . 41 MET H . 11158 1 440 . 1 1 41 41 MET HA H 1 4.142 0.030 . 1 . . . . 41 MET HA . 11158 1 441 . 1 1 41 41 MET HB2 H 1 2.319 0.030 . 1 . . . . 41 MET HB2 . 11158 1 442 . 1 1 41 41 MET HB3 H 1 2.319 0.030 . 1 . . . . 41 MET HB3 . 11158 1 443 . 1 1 41 41 MET HE1 H 1 2.103 0.030 . 1 . . . . 41 MET HE . 11158 1 444 . 1 1 41 41 MET HE2 H 1 2.103 0.030 . 1 . . . . 41 MET HE . 11158 1 445 . 1 1 41 41 MET HE3 H 1 2.103 0.030 . 1 . . . . 41 MET HE . 11158 1 446 . 1 1 41 41 MET HG2 H 1 2.603 0.030 . 2 . . . . 41 MET HG2 . 11158 1 447 . 1 1 41 41 MET HG3 H 1 2.786 0.030 . 2 . . . . 41 MET HG3 . 11158 1 448 . 1 1 41 41 MET C C 13 179.229 0.300 . 1 . . . . 41 MET C . 11158 1 449 . 1 1 41 41 MET CA C 13 59.495 0.300 . 1 . . . . 41 MET CA . 11158 1 450 . 1 1 41 41 MET CB C 13 33.615 0.300 . 1 . . . . 41 MET CB . 11158 1 451 . 1 1 41 41 MET CE C 13 17.109 0.300 . 1 . . . . 41 MET CE . 11158 1 452 . 1 1 41 41 MET CG C 13 32.142 0.300 . 1 . . . . 41 MET CG . 11158 1 453 . 1 1 41 41 MET N N 15 120.465 0.300 . 1 . . . . 41 MET N . 11158 1 454 . 1 1 42 42 LEU H H 1 8.687 0.030 . 1 . . . . 42 LEU H . 11158 1 455 . 1 1 42 42 LEU HA H 1 4.386 0.030 . 1 . . . . 42 LEU HA . 11158 1 456 . 1 1 42 42 LEU HB2 H 1 2.266 0.030 . 2 . . . . 42 LEU HB2 . 11158 1 457 . 1 1 42 42 LEU HB3 H 1 1.804 0.030 . 2 . . . . 42 LEU HB3 . 11158 1 458 . 1 1 42 42 LEU HD11 H 1 0.785 0.030 . 1 . . . . 42 LEU HD1 . 11158 1 459 . 1 1 42 42 LEU HD12 H 1 0.785 0.030 . 1 . . . . 42 LEU HD1 . 11158 1 460 . 1 1 42 42 LEU HD13 H 1 0.785 0.030 . 1 . . . . 42 LEU HD1 . 11158 1 461 . 1 1 42 42 LEU HD21 H 1 0.591 0.030 . 1 . . . . 42 LEU HD2 . 11158 1 462 . 1 1 42 42 LEU HD22 H 1 0.591 0.030 . 1 . . . . 42 LEU HD2 . 11158 1 463 . 1 1 42 42 LEU HD23 H 1 0.591 0.030 . 1 . . . . 42 LEU HD2 . 11158 1 464 . 1 1 42 42 LEU HG H 1 1.891 0.030 . 1 . . . . 42 LEU HG . 11158 1 465 . 1 1 42 42 LEU C C 13 179.239 0.300 . 1 . . . . 42 LEU C . 11158 1 466 . 1 1 42 42 LEU CA C 13 58.296 0.300 . 1 . . . . 42 LEU CA . 11158 1 467 . 1 1 42 42 LEU CB C 13 42.551 0.300 . 1 . . . . 42 LEU CB . 11158 1 468 . 1 1 42 42 LEU CD1 C 13 26.309 0.300 . 2 . . . . 42 LEU CD1 . 11158 1 469 . 1 1 42 42 LEU CD2 C 13 24.767 0.300 . 2 . . . . 42 LEU CD2 . 11158 1 470 . 1 1 42 42 LEU CG C 13 26.820 0.300 . 1 . . . . 42 LEU CG . 11158 1 471 . 1 1 42 42 LEU N N 15 120.352 0.300 . 1 . . . . 42 LEU N . 11158 1 472 . 1 1 43 43 GLY H H 1 8.127 0.030 . 1 . . . . 43 GLY H . 11158 1 473 . 1 1 43 43 GLY HA2 H 1 3.895 0.030 . 2 . . . . 43 GLY HA2 . 11158 1 474 . 1 1 43 43 GLY HA3 H 1 4.055 0.030 . 2 . . . . 43 GLY HA3 . 11158 1 475 . 1 1 43 43 GLY C C 13 176.485 0.300 . 1 . . . . 43 GLY C . 11158 1 476 . 1 1 43 43 GLY CA C 13 47.721 0.300 . 1 . . . . 43 GLY CA . 11158 1 477 . 1 1 43 43 GLY N N 15 105.008 0.300 . 1 . . . . 43 GLY N . 11158 1 478 . 1 1 44 44 LYS H H 1 7.834 0.030 . 1 . . . . 44 LYS H . 11158 1 479 . 1 1 44 44 LYS HA H 1 4.108 0.030 . 1 . . . . 44 LYS HA . 11158 1 480 . 1 1 44 44 LYS HB2 H 1 1.997 0.030 . 1 . . . . 44 LYS HB2 . 11158 1 481 . 1 1 44 44 LYS HB3 H 1 1.997 0.030 . 1 . . . . 44 LYS HB3 . 11158 1 482 . 1 1 44 44 LYS HD2 H 1 1.729 0.030 . 1 . . . . 44 LYS HD2 . 11158 1 483 . 1 1 44 44 LYS HD3 H 1 1.729 0.030 . 1 . . . . 44 LYS HD3 . 11158 1 484 . 1 1 44 44 LYS HE2 H 1 2.982 0.030 . 1 . . . . 44 LYS HE2 . 11158 1 485 . 1 1 44 44 LYS HE3 H 1 2.982 0.030 . 1 . . . . 44 LYS HE3 . 11158 1 486 . 1 1 44 44 LYS HG2 H 1 1.484 0.030 . 2 . . . . 44 LYS HG2 . 11158 1 487 . 1 1 44 44 LYS HG3 H 1 1.638 0.030 . 2 . . . . 44 LYS HG3 . 11158 1 488 . 1 1 44 44 LYS C C 13 179.604 0.300 . 1 . . . . 44 LYS C . 11158 1 489 . 1 1 44 44 LYS CA C 13 59.611 0.300 . 1 . . . . 44 LYS CA . 11158 1 490 . 1 1 44 44 LYS CB C 13 32.804 0.300 . 1 . . . . 44 LYS CB . 11158 1 491 . 1 1 44 44 LYS CD C 13 29.534 0.300 . 1 . . . . 44 LYS CD . 11158 1 492 . 1 1 44 44 LYS CE C 13 42.047 0.300 . 1 . . . . 44 LYS CE . 11158 1 493 . 1 1 44 44 LYS CG C 13 25.473 0.300 . 1 . . . . 44 LYS CG . 11158 1 494 . 1 1 44 44 LYS N N 15 121.686 0.300 . 1 . . . . 44 LYS N . 11158 1 495 . 1 1 45 45 SER H H 1 8.557 0.030 . 1 . . . . 45 SER H . 11158 1 496 . 1 1 45 45 SER HA H 1 4.333 0.030 . 1 . . . . 45 SER HA . 11158 1 497 . 1 1 45 45 SER HB2 H 1 4.450 0.030 . 2 . . . . 45 SER HB2 . 11158 1 498 . 1 1 45 45 SER HB3 H 1 4.293 0.030 . 2 . . . . 45 SER HB3 . 11158 1 499 . 1 1 45 45 SER C C 13 176.804 0.300 . 1 . . . . 45 SER C . 11158 1 500 . 1 1 45 45 SER CA C 13 62.062 0.300 . 1 . . . . 45 SER CA . 11158 1 501 . 1 1 45 45 SER CB C 13 63.120 0.300 . 1 . . . . 45 SER CB . 11158 1 502 . 1 1 45 45 SER N N 15 116.951 0.300 . 1 . . . . 45 SER N . 11158 1 503 . 1 1 46 46 TRP H H 1 8.565 0.030 . 1 . . . . 46 TRP H . 11158 1 504 . 1 1 46 46 TRP HA H 1 3.632 0.030 . 1 . . . . 46 TRP HA . 11158 1 505 . 1 1 46 46 TRP HB2 H 1 3.324 0.030 . 2 . . . . 46 TRP HB2 . 11158 1 506 . 1 1 46 46 TRP HB3 H 1 3.109 0.030 . 2 . . . . 46 TRP HB3 . 11158 1 507 . 1 1 46 46 TRP HD1 H 1 7.018 0.030 . 1 . . . . 46 TRP HD1 . 11158 1 508 . 1 1 46 46 TRP HE1 H 1 10.019 0.030 . 1 . . . . 46 TRP HE1 . 11158 1 509 . 1 1 46 46 TRP HE3 H 1 5.528 0.030 . 1 . . . . 46 TRP HE3 . 11158 1 510 . 1 1 46 46 TRP HH2 H 1 6.870 0.030 . 1 . . . . 46 TRP HH2 . 11158 1 511 . 1 1 46 46 TRP HZ2 H 1 7.412 0.030 . 1 . . . . 46 TRP HZ2 . 11158 1 512 . 1 1 46 46 TRP HZ3 H 1 6.140 0.030 . 1 . . . . 46 TRP HZ3 . 11158 1 513 . 1 1 46 46 TRP C C 13 178.022 0.300 . 1 . . . . 46 TRP C . 11158 1 514 . 1 1 46 46 TRP CA C 13 59.459 0.300 . 1 . . . . 46 TRP CA . 11158 1 515 . 1 1 46 46 TRP CB C 13 30.222 0.300 . 1 . . . . 46 TRP CB . 11158 1 516 . 1 1 46 46 TRP CD1 C 13 126.925 0.300 . 1 . . . . 46 TRP CD1 . 11158 1 517 . 1 1 46 46 TRP CE3 C 13 122.552 0.300 . 1 . . . . 46 TRP CE3 . 11158 1 518 . 1 1 46 46 TRP CH2 C 13 123.534 0.300 . 1 . . . . 46 TRP CH2 . 11158 1 519 . 1 1 46 46 TRP CZ2 C 13 113.391 0.300 . 1 . . . . 46 TRP CZ2 . 11158 1 520 . 1 1 46 46 TRP CZ3 C 13 121.690 0.300 . 1 . . . . 46 TRP CZ3 . 11158 1 521 . 1 1 46 46 TRP N N 15 122.959 0.300 . 1 . . . . 46 TRP N . 11158 1 522 . 1 1 46 46 TRP NE1 N 15 127.611 0.300 . 1 . . . . 46 TRP NE1 . 11158 1 523 . 1 1 47 47 LYS H H 1 7.429 0.030 . 1 . . . . 47 LYS H . 11158 1 524 . 1 1 47 47 LYS HA H 1 3.775 0.030 . 1 . . . . 47 LYS HA . 11158 1 525 . 1 1 47 47 LYS HB2 H 1 1.885 0.030 . 1 . . . . 47 LYS HB2 . 11158 1 526 . 1 1 47 47 LYS HB3 H 1 1.885 0.030 . 1 . . . . 47 LYS HB3 . 11158 1 527 . 1 1 47 47 LYS HD2 H 1 1.685 0.030 . 1 . . . . 47 LYS HD2 . 11158 1 528 . 1 1 47 47 LYS HD3 H 1 1.685 0.030 . 1 . . . . 47 LYS HD3 . 11158 1 529 . 1 1 47 47 LYS HE2 H 1 2.982 0.030 . 1 . . . . 47 LYS HE2 . 11158 1 530 . 1 1 47 47 LYS HE3 H 1 2.982 0.030 . 1 . . . . 47 LYS HE3 . 11158 1 531 . 1 1 47 47 LYS HG2 H 1 1.486 0.030 . 2 . . . . 47 LYS HG2 . 11158 1 532 . 1 1 47 47 LYS HG3 H 1 1.637 0.030 . 2 . . . . 47 LYS HG3 . 11158 1 533 . 1 1 47 47 LYS C C 13 177.039 0.300 . 1 . . . . 47 LYS C . 11158 1 534 . 1 1 47 47 LYS CA C 13 58.570 0.300 . 1 . . . . 47 LYS CA . 11158 1 535 . 1 1 47 47 LYS CB C 13 32.565 0.300 . 1 . . . . 47 LYS CB . 11158 1 536 . 1 1 47 47 LYS CD C 13 29.459 0.300 . 1 . . . . 47 LYS CD . 11158 1 537 . 1 1 47 47 LYS CE C 13 41.965 0.300 . 1 . . . . 47 LYS CE . 11158 1 538 . 1 1 47 47 LYS CG C 13 25.499 0.300 . 1 . . . . 47 LYS CG . 11158 1 539 . 1 1 47 47 LYS N N 15 115.804 0.300 . 1 . . . . 47 LYS N . 11158 1 540 . 1 1 48 48 ALA H H 1 7.093 0.030 . 1 . . . . 48 ALA H . 11158 1 541 . 1 1 48 48 ALA HA H 1 4.188 0.030 . 1 . . . . 48 ALA HA . 11158 1 542 . 1 1 48 48 ALA HB1 H 1 1.471 0.030 . 1 . . . . 48 ALA HB . 11158 1 543 . 1 1 48 48 ALA HB2 H 1 1.471 0.030 . 1 . . . . 48 ALA HB . 11158 1 544 . 1 1 48 48 ALA HB3 H 1 1.471 0.030 . 1 . . . . 48 ALA HB . 11158 1 545 . 1 1 48 48 ALA C C 13 178.233 0.300 . 1 . . . . 48 ALA C . 11158 1 546 . 1 1 48 48 ALA CA C 13 52.319 0.300 . 1 . . . . 48 ALA CA . 11158 1 547 . 1 1 48 48 ALA CB C 13 19.391 0.300 . 1 . . . . 48 ALA CB . 11158 1 548 . 1 1 48 48 ALA N N 15 117.895 0.300 . 1 . . . . 48 ALA N . 11158 1 549 . 1 1 49 49 LEU H H 1 6.911 0.030 . 1 . . . . 49 LEU H . 11158 1 550 . 1 1 49 49 LEU HA H 1 4.267 0.030 . 1 . . . . 49 LEU HA . 11158 1 551 . 1 1 49 49 LEU HB2 H 1 1.109 0.030 . 1 . . . . 49 LEU HB2 . 11158 1 552 . 1 1 49 49 LEU HB3 H 1 1.109 0.030 . 1 . . . . 49 LEU HB3 . 11158 1 553 . 1 1 49 49 LEU HD11 H 1 0.279 0.030 . 1 . . . . 49 LEU HD1 . 11158 1 554 . 1 1 49 49 LEU HD12 H 1 0.279 0.030 . 1 . . . . 49 LEU HD1 . 11158 1 555 . 1 1 49 49 LEU HD13 H 1 0.279 0.030 . 1 . . . . 49 LEU HD1 . 11158 1 556 . 1 1 49 49 LEU HD21 H 1 0.688 0.030 . 1 . . . . 49 LEU HD2 . 11158 1 557 . 1 1 49 49 LEU HD22 H 1 0.688 0.030 . 1 . . . . 49 LEU HD2 . 11158 1 558 . 1 1 49 49 LEU HD23 H 1 0.688 0.030 . 1 . . . . 49 LEU HD2 . 11158 1 559 . 1 1 49 49 LEU HG H 1 1.721 0.030 . 1 . . . . 49 LEU HG . 11158 1 560 . 1 1 49 49 LEU C C 13 178.190 0.300 . 1 . . . . 49 LEU C . 11158 1 561 . 1 1 49 49 LEU CA C 13 55.256 0.300 . 1 . . . . 49 LEU CA . 11158 1 562 . 1 1 49 49 LEU CB C 13 42.647 0.300 . 1 . . . . 49 LEU CB . 11158 1 563 . 1 1 49 49 LEU CD1 C 13 25.709 0.300 . 2 . . . . 49 LEU CD1 . 11158 1 564 . 1 1 49 49 LEU CD2 C 13 22.833 0.300 . 2 . . . . 49 LEU CD2 . 11158 1 565 . 1 1 49 49 LEU CG C 13 26.431 0.300 . 1 . . . . 49 LEU CG . 11158 1 566 . 1 1 49 49 LEU N N 15 120.410 0.300 . 1 . . . . 49 LEU N . 11158 1 567 . 1 1 50 50 THR H H 1 9.005 0.030 . 1 . . . . 50 THR H . 11158 1 568 . 1 1 50 50 THR HA H 1 4.227 0.030 . 1 . . . . 50 THR HA . 11158 1 569 . 1 1 50 50 THR HB H 1 4.660 0.030 . 1 . . . . 50 THR HB . 11158 1 570 . 1 1 50 50 THR HG21 H 1 1.352 0.030 . 1 . . . . 50 THR HG2 . 11158 1 571 . 1 1 50 50 THR HG22 H 1 1.352 0.030 . 1 . . . . 50 THR HG2 . 11158 1 572 . 1 1 50 50 THR HG23 H 1 1.352 0.030 . 1 . . . . 50 THR HG2 . 11158 1 573 . 1 1 50 50 THR C C 13 175.432 0.300 . 1 . . . . 50 THR C . 11158 1 574 . 1 1 50 50 THR CA C 13 61.081 0.300 . 1 . . . . 50 THR CA . 11158 1 575 . 1 1 50 50 THR CB C 13 71.295 0.300 . 1 . . . . 50 THR CB . 11158 1 576 . 1 1 50 50 THR CG2 C 13 21.733 0.300 . 1 . . . . 50 THR CG2 . 11158 1 577 . 1 1 50 50 THR N N 15 114.482 0.300 . 1 . . . . 50 THR N . 11158 1 578 . 1 1 51 51 LEU H H 1 8.524 0.030 . 1 . . . . 51 LEU H . 11158 1 579 . 1 1 51 51 LEU HA H 1 3.830 0.030 . 1 . . . . 51 LEU HA . 11158 1 580 . 1 1 51 51 LEU HB2 H 1 1.580 0.030 . 2 . . . . 51 LEU HB2 . 11158 1 581 . 1 1 51 51 LEU HB3 H 1 1.724 0.030 . 2 . . . . 51 LEU HB3 . 11158 1 582 . 1 1 51 51 LEU HD11 H 1 0.938 0.030 . 1 . . . . 51 LEU HD1 . 11158 1 583 . 1 1 51 51 LEU HD12 H 1 0.938 0.030 . 1 . . . . 51 LEU HD1 . 11158 1 584 . 1 1 51 51 LEU HD13 H 1 0.938 0.030 . 1 . . . . 51 LEU HD1 . 11158 1 585 . 1 1 51 51 LEU HD21 H 1 0.867 0.030 . 1 . . . . 51 LEU HD2 . 11158 1 586 . 1 1 51 51 LEU HD22 H 1 0.867 0.030 . 1 . . . . 51 LEU HD2 . 11158 1 587 . 1 1 51 51 LEU HD23 H 1 0.867 0.030 . 1 . . . . 51 LEU HD2 . 11158 1 588 . 1 1 51 51 LEU HG H 1 1.694 0.030 . 1 . . . . 51 LEU HG . 11158 1 589 . 1 1 51 51 LEU C C 13 180.124 0.300 . 1 . . . . 51 LEU C . 11158 1 590 . 1 1 51 51 LEU CA C 13 58.773 0.300 . 1 . . . . 51 LEU CA . 11158 1 591 . 1 1 51 51 LEU CB C 13 41.451 0.300 . 1 . . . . 51 LEU CB . 11158 1 592 . 1 1 51 51 LEU CD1 C 13 24.865 0.300 . 2 . . . . 51 LEU CD1 . 11158 1 593 . 1 1 51 51 LEU CD2 C 13 23.980 0.300 . 2 . . . . 51 LEU CD2 . 11158 1 594 . 1 1 51 51 LEU CG C 13 26.992 0.300 . 1 . . . . 51 LEU CG . 11158 1 595 . 1 1 51 51 LEU N N 15 120.867 0.300 . 1 . . . . 51 LEU N . 11158 1 596 . 1 1 52 52 ALA H H 1 8.272 0.030 . 1 . . . . 52 ALA H . 11158 1 597 . 1 1 52 52 ALA HA H 1 4.072 0.030 . 1 . . . . 52 ALA HA . 11158 1 598 . 1 1 52 52 ALA HB1 H 1 1.400 0.030 . 1 . . . . 52 ALA HB . 11158 1 599 . 1 1 52 52 ALA HB2 H 1 1.400 0.030 . 1 . . . . 52 ALA HB . 11158 1 600 . 1 1 52 52 ALA HB3 H 1 1.400 0.030 . 1 . . . . 52 ALA HB . 11158 1 601 . 1 1 52 52 ALA C C 13 180.625 0.300 . 1 . . . . 52 ALA C . 11158 1 602 . 1 1 52 52 ALA CA C 13 55.016 0.300 . 1 . . . . 52 ALA CA . 11158 1 603 . 1 1 52 52 ALA CB C 13 18.365 0.300 . 1 . . . . 52 ALA CB . 11158 1 604 . 1 1 52 52 ALA N N 15 119.829 0.300 . 1 . . . . 52 ALA N . 11158 1 605 . 1 1 53 53 GLU H H 1 7.570 0.030 . 1 . . . . 53 GLU H . 11158 1 606 . 1 1 53 53 GLU HA H 1 4.052 0.030 . 1 . . . . 53 GLU HA . 11158 1 607 . 1 1 53 53 GLU HB2 H 1 2.283 0.030 . 2 . . . . 53 GLU HB2 . 11158 1 608 . 1 1 53 53 GLU HB3 H 1 2.019 0.030 . 2 . . . . 53 GLU HB3 . 11158 1 609 . 1 1 53 53 GLU HG2 H 1 2.333 0.030 . 2 . . . . 53 GLU HG2 . 11158 1 610 . 1 1 53 53 GLU HG3 H 1 2.278 0.030 . 2 . . . . 53 GLU HG3 . 11158 1 611 . 1 1 53 53 GLU C C 13 178.637 0.300 . 1 . . . . 53 GLU C . 11158 1 612 . 1 1 53 53 GLU CA C 13 58.296 0.300 . 1 . . . . 53 GLU CA . 11158 1 613 . 1 1 53 53 GLU CB C 13 31.139 0.300 . 1 . . . . 53 GLU CB . 11158 1 614 . 1 1 53 53 GLU CG C 13 38.094 0.300 . 1 . . . . 53 GLU CG . 11158 1 615 . 1 1 53 53 GLU N N 15 117.796 0.300 . 1 . . . . 53 GLU N . 11158 1 616 . 1 1 54 54 LYS H H 1 7.918 0.030 . 1 . . . . 54 LYS H . 11158 1 617 . 1 1 54 54 LYS HA H 1 4.197 0.030 . 1 . . . . 54 LYS HA . 11158 1 618 . 1 1 54 54 LYS HB2 H 1 1.642 0.030 . 1 . . . . 54 LYS HB2 . 11158 1 619 . 1 1 54 54 LYS HB3 H 1 1.642 0.030 . 1 . . . . 54 LYS HB3 . 11158 1 620 . 1 1 54 54 LYS HD2 H 1 0.877 0.030 . 1 . . . . 54 LYS HD2 . 11158 1 621 . 1 1 54 54 LYS HD3 H 1 0.877 0.030 . 1 . . . . 54 LYS HD3 . 11158 1 622 . 1 1 54 54 LYS HE2 H 1 1.388 0.030 . 2 . . . . 54 LYS HE2 . 11158 1 623 . 1 1 54 54 LYS HE3 H 1 1.662 0.030 . 2 . . . . 54 LYS HE3 . 11158 1 624 . 1 1 54 54 LYS HG2 H 1 1.099 0.030 . 2 . . . . 54 LYS HG2 . 11158 1 625 . 1 1 54 54 LYS HG3 H 1 -0.077 0.030 . 2 . . . . 54 LYS HG3 . 11158 1 626 . 1 1 54 54 LYS C C 13 178.297 0.300 . 1 . . . . 54 LYS C . 11158 1 627 . 1 1 54 54 LYS CA C 13 59.037 0.300 . 1 . . . . 54 LYS CA . 11158 1 628 . 1 1 54 54 LYS CB C 13 33.793 0.300 . 1 . . . . 54 LYS CB . 11158 1 629 . 1 1 54 54 LYS CD C 13 29.371 0.300 . 1 . . . . 54 LYS CD . 11158 1 630 . 1 1 54 54 LYS CE C 13 42.060 0.300 . 1 . . . . 54 LYS CE . 11158 1 631 . 1 1 54 54 LYS CG C 13 27.061 0.300 . 1 . . . . 54 LYS CG . 11158 1 632 . 1 1 54 54 LYS N N 15 116.007 0.300 . 1 . . . . 54 LYS N . 11158 1 633 . 1 1 55 55 ARG H H 1 7.540 0.030 . 1 . . . . 55 ARG H . 11158 1 634 . 1 1 55 55 ARG HA H 1 4.170 0.030 . 1 . . . . 55 ARG HA . 11158 1 635 . 1 1 55 55 ARG HB2 H 1 1.996 0.030 . 1 . . . . 55 ARG HB2 . 11158 1 636 . 1 1 55 55 ARG HB3 H 1 1.996 0.030 . 1 . . . . 55 ARG HB3 . 11158 1 637 . 1 1 55 55 ARG HD2 H 1 3.196 0.030 . 2 . . . . 55 ARG HD2 . 11158 1 638 . 1 1 55 55 ARG HD3 H 1 3.235 0.030 . 2 . . . . 55 ARG HD3 . 11158 1 639 . 1 1 55 55 ARG HG2 H 1 1.729 0.030 . 2 . . . . 55 ARG HG2 . 11158 1 640 . 1 1 55 55 ARG HG3 H 1 1.612 0.030 . 2 . . . . 55 ARG HG3 . 11158 1 641 . 1 1 55 55 ARG C C 13 173.684 0.300 . 1 . . . . 55 ARG C . 11158 1 642 . 1 1 55 55 ARG CA C 13 61.257 0.300 . 1 . . . . 55 ARG CA . 11158 1 643 . 1 1 55 55 ARG CB C 13 27.648 0.300 . 1 . . . . 55 ARG CB . 11158 1 644 . 1 1 55 55 ARG CD C 13 43.311 0.300 . 1 . . . . 55 ARG CD . 11158 1 645 . 1 1 55 55 ARG CG C 13 26.915 0.300 . 1 . . . . 55 ARG CG . 11158 1 646 . 1 1 55 55 ARG N N 15 120.111 0.300 . 1 . . . . 55 ARG N . 11158 1 647 . 1 1 56 56 PRO HA H 1 4.303 0.030 . 1 . . . . 56 PRO HA . 11158 1 648 . 1 1 56 56 PRO HB2 H 1 2.123 0.030 . 2 . . . . 56 PRO HB2 . 11158 1 649 . 1 1 56 56 PRO HB3 H 1 1.056 0.030 . 2 . . . . 56 PRO HB3 . 11158 1 650 . 1 1 56 56 PRO HD2 H 1 3.592 0.030 . 2 . . . . 56 PRO HD2 . 11158 1 651 . 1 1 56 56 PRO HD3 H 1 3.689 0.030 . 2 . . . . 56 PRO HD3 . 11158 1 652 . 1 1 56 56 PRO HG2 H 1 1.875 0.030 . 2 . . . . 56 PRO HG2 . 11158 1 653 . 1 1 56 56 PRO HG3 H 1 1.727 0.030 . 2 . . . . 56 PRO HG3 . 11158 1 654 . 1 1 56 56 PRO CA C 13 65.832 0.300 . 1 . . . . 56 PRO CA . 11158 1 655 . 1 1 56 56 PRO CB C 13 30.820 0.300 . 1 . . . . 56 PRO CB . 11158 1 656 . 1 1 56 56 PRO CD C 13 49.849 0.300 . 1 . . . . 56 PRO CD . 11158 1 657 . 1 1 56 56 PRO CG C 13 28.301 0.300 . 1 . . . . 56 PRO CG . 11158 1 658 . 1 1 57 57 PHE H H 1 7.347 0.030 . 1 . . . . 57 PHE H . 11158 1 659 . 1 1 57 57 PHE HA H 1 4.390 0.030 . 1 . . . . 57 PHE HA . 11158 1 660 . 1 1 57 57 PHE HB2 H 1 3.870 0.030 . 2 . . . . 57 PHE HB2 . 11158 1 661 . 1 1 57 57 PHE HB3 H 1 3.434 0.030 . 2 . . . . 57 PHE HB3 . 11158 1 662 . 1 1 57 57 PHE HD1 H 1 7.517 0.030 . 1 . . . . 57 PHE HD1 . 11158 1 663 . 1 1 57 57 PHE HD2 H 1 7.517 0.030 . 1 . . . . 57 PHE HD2 . 11158 1 664 . 1 1 57 57 PHE HE1 H 1 7.772 0.030 . 1 . . . . 57 PHE HE1 . 11158 1 665 . 1 1 57 57 PHE HE2 H 1 7.772 0.030 . 1 . . . . 57 PHE HE2 . 11158 1 666 . 1 1 57 57 PHE HZ H 1 7.772 0.030 . 1 . . . . 57 PHE HZ . 11158 1 667 . 1 1 57 57 PHE C C 13 177.612 0.300 . 1 . . . . 57 PHE C . 11158 1 668 . 1 1 57 57 PHE CA C 13 61.011 0.300 . 1 . . . . 57 PHE CA . 11158 1 669 . 1 1 57 57 PHE CB C 13 38.616 0.300 . 1 . . . . 57 PHE CB . 11158 1 670 . 1 1 57 57 PHE CD1 C 13 131.488 0.300 . 1 . . . . 57 PHE CD1 . 11158 1 671 . 1 1 57 57 PHE CD2 C 13 131.488 0.300 . 1 . . . . 57 PHE CD2 . 11158 1 672 . 1 1 57 57 PHE CE1 C 13 132.886 0.300 . 1 . . . . 57 PHE CE1 . 11158 1 673 . 1 1 57 57 PHE CE2 C 13 132.886 0.300 . 1 . . . . 57 PHE CE2 . 11158 1 674 . 1 1 57 57 PHE CZ C 13 131.155 0.300 . 1 . . . . 57 PHE CZ . 11158 1 675 . 1 1 57 57 PHE N N 15 117.871 0.300 . 1 . . . . 57 PHE N . 11158 1 676 . 1 1 58 58 VAL H H 1 8.113 0.030 . 1 . . . . 58 VAL H . 11158 1 677 . 1 1 58 58 VAL HA H 1 3.798 0.030 . 1 . . . . 58 VAL HA . 11158 1 678 . 1 1 58 58 VAL HB H 1 2.438 0.030 . 1 . . . . 58 VAL HB . 11158 1 679 . 1 1 58 58 VAL HG11 H 1 1.154 0.030 . 1 . . . . 58 VAL HG1 . 11158 1 680 . 1 1 58 58 VAL HG12 H 1 1.154 0.030 . 1 . . . . 58 VAL HG1 . 11158 1 681 . 1 1 58 58 VAL HG13 H 1 1.154 0.030 . 1 . . . . 58 VAL HG1 . 11158 1 682 . 1 1 58 58 VAL HG21 H 1 1.072 0.030 . 1 . . . . 58 VAL HG2 . 11158 1 683 . 1 1 58 58 VAL HG22 H 1 1.072 0.030 . 1 . . . . 58 VAL HG2 . 11158 1 684 . 1 1 58 58 VAL HG23 H 1 1.072 0.030 . 1 . . . . 58 VAL HG2 . 11158 1 685 . 1 1 58 58 VAL C C 13 179.586 0.300 . 1 . . . . 58 VAL C . 11158 1 686 . 1 1 58 58 VAL CA C 13 66.752 0.300 . 1 . . . . 58 VAL CA . 11158 1 687 . 1 1 58 58 VAL CB C 13 32.323 0.300 . 1 . . . . 58 VAL CB . 11158 1 688 . 1 1 58 58 VAL CG1 C 13 22.132 0.300 . 2 . . . . 58 VAL CG1 . 11158 1 689 . 1 1 58 58 VAL CG2 C 13 20.990 0.300 . 2 . . . . 58 VAL CG2 . 11158 1 690 . 1 1 58 58 VAL N N 15 122.657 0.300 . 1 . . . . 58 VAL N . 11158 1 691 . 1 1 59 59 GLU H H 1 8.614 0.030 . 1 . . . . 59 GLU H . 11158 1 692 . 1 1 59 59 GLU HA H 1 4.070 0.030 . 1 . . . . 59 GLU HA . 11158 1 693 . 1 1 59 59 GLU HB2 H 1 2.028 0.030 . 2 . . . . 59 GLU HB2 . 11158 1 694 . 1 1 59 59 GLU HB3 H 1 2.082 0.030 . 2 . . . . 59 GLU HB3 . 11158 1 695 . 1 1 59 59 GLU HG2 H 1 2.507 0.030 . 2 . . . . 59 GLU HG2 . 11158 1 696 . 1 1 59 59 GLU HG3 H 1 2.277 0.030 . 2 . . . . 59 GLU HG3 . 11158 1 697 . 1 1 59 59 GLU C C 13 179.694 0.300 . 1 . . . . 59 GLU C . 11158 1 698 . 1 1 59 59 GLU CA C 13 59.516 0.300 . 1 . . . . 59 GLU CA . 11158 1 699 . 1 1 59 59 GLU CB C 13 29.258 0.300 . 1 . . . . 59 GLU CB . 11158 1 700 . 1 1 59 59 GLU CG C 13 36.920 0.300 . 1 . . . . 59 GLU CG . 11158 1 701 . 1 1 59 59 GLU N N 15 119.195 0.300 . 1 . . . . 59 GLU N . 11158 1 702 . 1 1 60 60 GLU H H 1 8.006 0.030 . 1 . . . . 60 GLU H . 11158 1 703 . 1 1 60 60 GLU HA H 1 4.467 0.030 . 1 . . . . 60 GLU HA . 11158 1 704 . 1 1 60 60 GLU HB2 H 1 2.248 0.030 . 2 . . . . 60 GLU HB2 . 11158 1 705 . 1 1 60 60 GLU HB3 H 1 2.039 0.030 . 2 . . . . 60 GLU HB3 . 11158 1 706 . 1 1 60 60 GLU HG2 H 1 2.484 0.030 . 2 . . . . 60 GLU HG2 . 11158 1 707 . 1 1 60 60 GLU HG3 H 1 2.253 0.030 . 2 . . . . 60 GLU HG3 . 11158 1 708 . 1 1 60 60 GLU C C 13 177.972 0.300 . 1 . . . . 60 GLU C . 11158 1 709 . 1 1 60 60 GLU CA C 13 58.735 0.300 . 1 . . . . 60 GLU CA . 11158 1 710 . 1 1 60 60 GLU CB C 13 29.136 0.300 . 1 . . . . 60 GLU CB . 11158 1 711 . 1 1 60 60 GLU CG C 13 34.659 0.300 . 1 . . . . 60 GLU CG . 11158 1 712 . 1 1 60 60 GLU N N 15 121.630 0.300 . 1 . . . . 60 GLU N . 11158 1 713 . 1 1 61 61 ALA H H 1 8.473 0.030 . 1 . . . . 61 ALA H . 11158 1 714 . 1 1 61 61 ALA HA H 1 4.054 0.030 . 1 . . . . 61 ALA HA . 11158 1 715 . 1 1 61 61 ALA HB1 H 1 1.511 0.030 . 1 . . . . 61 ALA HB . 11158 1 716 . 1 1 61 61 ALA HB2 H 1 1.511 0.030 . 1 . . . . 61 ALA HB . 11158 1 717 . 1 1 61 61 ALA HB3 H 1 1.511 0.030 . 1 . . . . 61 ALA HB . 11158 1 718 . 1 1 61 61 ALA C C 13 180.405 0.300 . 1 . . . . 61 ALA C . 11158 1 719 . 1 1 61 61 ALA CA C 13 55.480 0.300 . 1 . . . . 61 ALA CA . 11158 1 720 . 1 1 61 61 ALA CB C 13 17.335 0.300 . 1 . . . . 61 ALA CB . 11158 1 721 . 1 1 61 61 ALA N N 15 120.857 0.300 . 1 . . . . 61 ALA N . 11158 1 722 . 1 1 62 62 GLU H H 1 7.990 0.030 . 1 . . . . 62 GLU H . 11158 1 723 . 1 1 62 62 GLU HA H 1 4.391 0.030 . 1 . . . . 62 GLU HA . 11158 1 724 . 1 1 62 62 GLU HB2 H 1 2.107 0.030 . 2 . . . . 62 GLU HB2 . 11158 1 725 . 1 1 62 62 GLU HB3 H 1 2.192 0.030 . 2 . . . . 62 GLU HB3 . 11158 1 726 . 1 1 62 62 GLU HG2 H 1 2.432 0.030 . 2 . . . . 62 GLU HG2 . 11158 1 727 . 1 1 62 62 GLU HG3 H 1 2.373 0.030 . 2 . . . . 62 GLU HG3 . 11158 1 728 . 1 1 62 62 GLU C C 13 178.115 0.300 . 1 . . . . 62 GLU C . 11158 1 729 . 1 1 62 62 GLU CA C 13 58.765 0.300 . 1 . . . . 62 GLU CA . 11158 1 730 . 1 1 62 62 GLU CB C 13 28.858 0.300 . 1 . . . . 62 GLU CB . 11158 1 731 . 1 1 62 62 GLU CG C 13 35.212 0.300 . 1 . . . . 62 GLU CG . 11158 1 732 . 1 1 62 62 GLU N N 15 119.247 0.300 . 1 . . . . 62 GLU N . 11158 1 733 . 1 1 63 63 ARG H H 1 7.977 0.030 . 1 . . . . 63 ARG H . 11158 1 734 . 1 1 63 63 ARG HA H 1 4.047 0.030 . 1 . . . . 63 ARG HA . 11158 1 735 . 1 1 63 63 ARG HB2 H 1 2.029 0.030 . 1 . . . . 63 ARG HB2 . 11158 1 736 . 1 1 63 63 ARG HB3 H 1 2.029 0.030 . 1 . . . . 63 ARG HB3 . 11158 1 737 . 1 1 63 63 ARG HD2 H 1 3.305 0.030 . 2 . . . . 63 ARG HD2 . 11158 1 738 . 1 1 63 63 ARG HD3 H 1 3.180 0.030 . 2 . . . . 63 ARG HD3 . 11158 1 739 . 1 1 63 63 ARG HE H 1 6.932 0.030 . 1 . . . . 63 ARG HE . 11158 1 740 . 1 1 63 63 ARG HG2 H 1 1.528 0.030 . 2 . . . . 63 ARG HG2 . 11158 1 741 . 1 1 63 63 ARG HG3 H 1 1.771 0.030 . 2 . . . . 63 ARG HG3 . 11158 1 742 . 1 1 63 63 ARG C C 13 180.024 0.300 . 1 . . . . 63 ARG C . 11158 1 743 . 1 1 63 63 ARG CA C 13 59.842 0.300 . 1 . . . . 63 ARG CA . 11158 1 744 . 1 1 63 63 ARG CB C 13 30.389 0.300 . 1 . . . . 63 ARG CB . 11158 1 745 . 1 1 63 63 ARG CD C 13 43.228 0.300 . 1 . . . . 63 ARG CD . 11158 1 746 . 1 1 63 63 ARG CG C 13 28.165 0.300 . 1 . . . . 63 ARG CG . 11158 1 747 . 1 1 63 63 ARG N N 15 121.198 0.300 . 1 . . . . 63 ARG N . 11158 1 748 . 1 1 63 63 ARG NE N 15 110.316 0.300 . 1 . . . . 63 ARG NE . 11158 1 749 . 1 1 64 64 LEU H H 1 8.403 0.030 . 1 . . . . 64 LEU H . 11158 1 750 . 1 1 64 64 LEU HA H 1 4.066 0.030 . 1 . . . . 64 LEU HA . 11158 1 751 . 1 1 64 64 LEU HB2 H 1 2.010 0.030 . 2 . . . . 64 LEU HB2 . 11158 1 752 . 1 1 64 64 LEU HB3 H 1 1.459 0.030 . 2 . . . . 64 LEU HB3 . 11158 1 753 . 1 1 64 64 LEU HD11 H 1 0.951 0.030 . 1 . . . . 64 LEU HD1 . 11158 1 754 . 1 1 64 64 LEU HD12 H 1 0.951 0.030 . 1 . . . . 64 LEU HD1 . 11158 1 755 . 1 1 64 64 LEU HD13 H 1 0.951 0.030 . 1 . . . . 64 LEU HD1 . 11158 1 756 . 1 1 64 64 LEU HD21 H 1 0.891 0.030 . 1 . . . . 64 LEU HD2 . 11158 1 757 . 1 1 64 64 LEU HD22 H 1 0.891 0.030 . 1 . . . . 64 LEU HD2 . 11158 1 758 . 1 1 64 64 LEU HD23 H 1 0.891 0.030 . 1 . . . . 64 LEU HD2 . 11158 1 759 . 1 1 64 64 LEU HG H 1 1.919 0.030 . 1 . . . . 64 LEU HG . 11158 1 760 . 1 1 64 64 LEU C C 13 179.472 0.300 . 1 . . . . 64 LEU C . 11158 1 761 . 1 1 64 64 LEU CA C 13 57.380 0.300 . 1 . . . . 64 LEU CA . 11158 1 762 . 1 1 64 64 LEU CB C 13 42.078 0.300 . 1 . . . . 64 LEU CB . 11158 1 763 . 1 1 64 64 LEU CD1 C 13 26.081 0.300 . 2 . . . . 64 LEU CD1 . 11158 1 764 . 1 1 64 64 LEU CD2 C 13 22.515 0.300 . 2 . . . . 64 LEU CD2 . 11158 1 765 . 1 1 64 64 LEU CG C 13 26.709 0.300 . 1 . . . . 64 LEU CG . 11158 1 766 . 1 1 64 64 LEU N N 15 118.833 0.300 . 1 . . . . 64 LEU N . 11158 1 767 . 1 1 65 65 ARG H H 1 8.123 0.030 . 1 . . . . 65 ARG H . 11158 1 768 . 1 1 65 65 ARG HA H 1 3.994 0.030 . 1 . . . . 65 ARG HA . 11158 1 769 . 1 1 65 65 ARG HB2 H 1 2.143 0.030 . 2 . . . . 65 ARG HB2 . 11158 1 770 . 1 1 65 65 ARG HB3 H 1 2.027 0.030 . 2 . . . . 65 ARG HB3 . 11158 1 771 . 1 1 65 65 ARG HD2 H 1 3.183 0.030 . 2 . . . . 65 ARG HD2 . 11158 1 772 . 1 1 65 65 ARG HD3 H 1 3.393 0.030 . 2 . . . . 65 ARG HD3 . 11158 1 773 . 1 1 65 65 ARG HG2 H 1 1.722 0.030 . 2 . . . . 65 ARG HG2 . 11158 1 774 . 1 1 65 65 ARG HG3 H 1 1.576 0.030 . 2 . . . . 65 ARG HG3 . 11158 1 775 . 1 1 65 65 ARG C C 13 178.576 0.300 . 1 . . . . 65 ARG C . 11158 1 776 . 1 1 65 65 ARG CA C 13 59.706 0.300 . 1 . . . . 65 ARG CA . 11158 1 777 . 1 1 65 65 ARG CB C 13 30.253 0.300 . 1 . . . . 65 ARG CB . 11158 1 778 . 1 1 65 65 ARG CD C 13 43.150 0.300 . 1 . . . . 65 ARG CD . 11158 1 779 . 1 1 65 65 ARG CG C 13 27.610 0.300 . 1 . . . . 65 ARG CG . 11158 1 780 . 1 1 65 65 ARG N N 15 121.860 0.300 . 1 . . . . 65 ARG N . 11158 1 781 . 1 1 66 66 VAL H H 1 8.040 0.030 . 1 . . . . 66 VAL H . 11158 1 782 . 1 1 66 66 VAL HA H 1 3.791 0.030 . 1 . . . . 66 VAL HA . 11158 1 783 . 1 1 66 66 VAL HB H 1 2.189 0.030 . 1 . . . . 66 VAL HB . 11158 1 784 . 1 1 66 66 VAL HG11 H 1 1.077 0.030 . 1 . . . . 66 VAL HG1 . 11158 1 785 . 1 1 66 66 VAL HG12 H 1 1.077 0.030 . 1 . . . . 66 VAL HG1 . 11158 1 786 . 1 1 66 66 VAL HG13 H 1 1.077 0.030 . 1 . . . . 66 VAL HG1 . 11158 1 787 . 1 1 66 66 VAL HG21 H 1 0.949 0.030 . 1 . . . . 66 VAL HG2 . 11158 1 788 . 1 1 66 66 VAL HG22 H 1 0.949 0.030 . 1 . . . . 66 VAL HG2 . 11158 1 789 . 1 1 66 66 VAL HG23 H 1 0.949 0.030 . 1 . . . . 66 VAL HG2 . 11158 1 790 . 1 1 66 66 VAL C C 13 178.451 0.300 . 1 . . . . 66 VAL C . 11158 1 791 . 1 1 66 66 VAL CA C 13 65.617 0.300 . 1 . . . . 66 VAL CA . 11158 1 792 . 1 1 66 66 VAL CB C 13 32.026 0.300 . 1 . . . . 66 VAL CB . 11158 1 793 . 1 1 66 66 VAL CG1 C 13 22.182 0.300 . 2 . . . . 66 VAL CG1 . 11158 1 794 . 1 1 66 66 VAL CG2 C 13 21.207 0.300 . 2 . . . . 66 VAL CG2 . 11158 1 795 . 1 1 66 66 VAL N N 15 118.348 0.300 . 1 . . . . 66 VAL N . 11158 1 796 . 1 1 67 67 GLN H H 1 7.998 0.030 . 1 . . . . 67 GLN H . 11158 1 797 . 1 1 67 67 GLN HA H 1 4.063 0.030 . 1 . . . . 67 GLN HA . 11158 1 798 . 1 1 67 67 GLN HB2 H 1 2.121 0.030 . 1 . . . . 67 GLN HB2 . 11158 1 799 . 1 1 67 67 GLN HB3 H 1 2.121 0.030 . 1 . . . . 67 GLN HB3 . 11158 1 800 . 1 1 67 67 GLN HE21 H 1 7.450 0.030 . 2 . . . . 67 GLN HE21 . 11158 1 801 . 1 1 67 67 GLN HE22 H 1 6.829 0.030 . 2 . . . . 67 GLN HE22 . 11158 1 802 . 1 1 67 67 GLN HG2 H 1 2.415 0.030 . 2 . . . . 67 GLN HG2 . 11158 1 803 . 1 1 67 67 GLN HG3 H 1 2.341 0.030 . 2 . . . . 67 GLN HG3 . 11158 1 804 . 1 1 67 67 GLN C C 13 177.480 0.300 . 1 . . . . 67 GLN C . 11158 1 805 . 1 1 67 67 GLN CA C 13 58.197 0.300 . 1 . . . . 67 GLN CA . 11158 1 806 . 1 1 67 67 GLN CB C 13 28.866 0.300 . 1 . . . . 67 GLN CB . 11158 1 807 . 1 1 67 67 GLN CG C 13 33.890 0.300 . 1 . . . . 67 GLN CG . 11158 1 808 . 1 1 67 67 GLN N N 15 120.038 0.300 . 1 . . . . 67 GLN N . 11158 1 809 . 1 1 67 67 GLN NE2 N 15 111.922 0.300 . 1 . . . . 67 GLN NE2 . 11158 1 810 . 1 1 68 68 HIS H H 1 8.191 0.030 . 1 . . . . 68 HIS H . 11158 1 811 . 1 1 68 68 HIS HA H 1 4.474 0.030 . 1 . . . . 68 HIS HA . 11158 1 812 . 1 1 68 68 HIS HB2 H 1 3.273 0.030 . 2 . . . . 68 HIS HB2 . 11158 1 813 . 1 1 68 68 HIS HB3 H 1 3.165 0.030 . 2 . . . . 68 HIS HB3 . 11158 1 814 . 1 1 68 68 HIS HD2 H 1 6.879 0.030 . 1 . . . . 68 HIS HD2 . 11158 1 815 . 1 1 68 68 HIS HE1 H 1 7.471 0.030 . 1 . . . . 68 HIS HE1 . 11158 1 816 . 1 1 68 68 HIS C C 13 176.907 0.300 . 1 . . . . 68 HIS C . 11158 1 817 . 1 1 68 68 HIS CA C 13 58.767 0.300 . 1 . . . . 68 HIS CA . 11158 1 818 . 1 1 68 68 HIS CB C 13 30.734 0.300 . 1 . . . . 68 HIS CB . 11158 1 819 . 1 1 68 68 HIS CD2 C 13 119.923 0.300 . 1 . . . . 68 HIS CD2 . 11158 1 820 . 1 1 68 68 HIS CE1 C 13 138.196 0.300 . 1 . . . . 68 HIS CE1 . 11158 1 821 . 1 1 68 68 HIS N N 15 118.888 0.300 . 1 . . . . 68 HIS N . 11158 1 822 . 1 1 69 69 MET H H 1 7.987 0.030 . 1 . . . . 69 MET H . 11158 1 823 . 1 1 69 69 MET HA H 1 4.289 0.030 . 1 . . . . 69 MET HA . 11158 1 824 . 1 1 69 69 MET HB2 H 1 2.173 0.030 . 1 . . . . 69 MET HB2 . 11158 1 825 . 1 1 69 69 MET HB3 H 1 2.173 0.030 . 1 . . . . 69 MET HB3 . 11158 1 826 . 1 1 69 69 MET HE1 H 1 2.138 0.030 . 1 . . . . 69 MET HE . 11158 1 827 . 1 1 69 69 MET HE2 H 1 2.138 0.030 . 1 . . . . 69 MET HE . 11158 1 828 . 1 1 69 69 MET HE3 H 1 2.138 0.030 . 1 . . . . 69 MET HE . 11158 1 829 . 1 1 69 69 MET HG2 H 1 2.634 0.030 . 2 . . . . 69 MET HG2 . 11158 1 830 . 1 1 69 69 MET HG3 H 1 2.734 0.030 . 2 . . . . 69 MET HG3 . 11158 1 831 . 1 1 69 69 MET C C 13 177.321 0.300 . 1 . . . . 69 MET C . 11158 1 832 . 1 1 69 69 MET CA C 13 57.030 0.300 . 1 . . . . 69 MET CA . 11158 1 833 . 1 1 69 69 MET CB C 13 32.480 0.300 . 1 . . . . 69 MET CB . 11158 1 834 . 1 1 69 69 MET CE C 13 16.810 0.300 . 1 . . . . 69 MET CE . 11158 1 835 . 1 1 69 69 MET CG C 13 32.063 0.300 . 1 . . . . 69 MET CG . 11158 1 836 . 1 1 69 69 MET N N 15 117.960 0.300 . 1 . . . . 69 MET N . 11158 1 837 . 1 1 70 70 GLN H H 1 7.898 0.030 . 1 . . . . 70 GLN H . 11158 1 838 . 1 1 70 70 GLN HA H 1 4.067 0.030 . 1 . . . . 70 GLN HA . 11158 1 839 . 1 1 70 70 GLN HB2 H 1 2.086 0.030 . 1 . . . . 70 GLN HB2 . 11158 1 840 . 1 1 70 70 GLN HB3 H 1 2.086 0.030 . 1 . . . . 70 GLN HB3 . 11158 1 841 . 1 1 70 70 GLN HE21 H 1 7.598 0.030 . 2 . . . . 70 GLN HE21 . 11158 1 842 . 1 1 70 70 GLN HE22 H 1 6.813 0.030 . 2 . . . . 70 GLN HE22 . 11158 1 843 . 1 1 70 70 GLN HG2 H 1 2.413 0.030 . 2 . . . . 70 GLN HG2 . 11158 1 844 . 1 1 70 70 GLN HG3 H 1 2.341 0.030 . 2 . . . . 70 GLN HG3 . 11158 1 845 . 1 1 70 70 GLN C C 13 176.508 0.300 . 1 . . . . 70 GLN C . 11158 1 846 . 1 1 70 70 GLN CA C 13 57.111 0.300 . 1 . . . . 70 GLN CA . 11158 1 847 . 1 1 70 70 GLN CB C 13 28.909 0.300 . 1 . . . . 70 GLN CB . 11158 1 848 . 1 1 70 70 GLN CG C 13 33.887 0.300 . 1 . . . . 70 GLN CG . 11158 1 849 . 1 1 70 70 GLN N N 15 118.455 0.300 . 1 . . . . 70 GLN N . 11158 1 850 . 1 1 70 70 GLN NE2 N 15 112.653 0.300 . 1 . . . . 70 GLN NE2 . 11158 1 851 . 1 1 71 71 ASP H H 1 7.993 0.030 . 1 . . . . 71 ASP H . 11158 1 852 . 1 1 71 71 ASP HA H 1 4.481 0.030 . 1 . . . . 71 ASP HA . 11158 1 853 . 1 1 71 71 ASP HB2 H 1 2.499 0.030 . 2 . . . . 71 ASP HB2 . 11158 1 854 . 1 1 71 71 ASP HB3 H 1 2.430 0.030 . 2 . . . . 71 ASP HB3 . 11158 1 855 . 1 1 71 71 ASP C C 13 175.723 0.300 . 1 . . . . 71 ASP C . 11158 1 856 . 1 1 71 71 ASP CA C 13 54.835 0.300 . 1 . . . . 71 ASP CA . 11158 1 857 . 1 1 71 71 ASP CB C 13 41.142 0.300 . 1 . . . . 71 ASP CB . 11158 1 858 . 1 1 71 71 ASP N N 15 118.985 0.300 . 1 . . . . 71 ASP N . 11158 1 859 . 1 1 72 72 HIS H H 1 7.927 0.030 . 1 . . . . 72 HIS H . 11158 1 860 . 1 1 72 72 HIS HA H 1 4.812 0.030 . 1 . . . . 72 HIS HA . 11158 1 861 . 1 1 72 72 HIS HB2 H 1 2.993 0.030 . 2 . . . . 72 HIS HB2 . 11158 1 862 . 1 1 72 72 HIS HB3 H 1 2.902 0.030 . 2 . . . . 72 HIS HB3 . 11158 1 863 . 1 1 72 72 HIS HD2 H 1 6.842 0.030 . 1 . . . . 72 HIS HD2 . 11158 1 864 . 1 1 72 72 HIS HE1 H 1 7.877 0.030 . 1 . . . . 72 HIS HE1 . 11158 1 865 . 1 1 72 72 HIS C C 13 173.320 0.300 . 1 . . . . 72 HIS C . 11158 1 866 . 1 1 72 72 HIS CA C 13 54.278 0.300 . 1 . . . . 72 HIS CA . 11158 1 867 . 1 1 72 72 HIS CB C 13 30.099 0.300 . 1 . . . . 72 HIS CB . 11158 1 868 . 1 1 72 72 HIS CD2 C 13 121.017 0.300 . 1 . . . . 72 HIS CD2 . 11158 1 869 . 1 1 72 72 HIS CE1 C 13 138.006 0.300 . 1 . . . . 72 HIS CE1 . 11158 1 870 . 1 1 72 72 HIS N N 15 119.426 0.300 . 1 . . . . 72 HIS N . 11158 1 871 . 1 1 73 73 PRO HA H 1 4.438 0.030 . 1 . . . . 73 PRO HA . 11158 1 872 . 1 1 73 73 PRO HB2 H 1 1.793 0.030 . 2 . . . . 73 PRO HB2 . 11158 1 873 . 1 1 73 73 PRO HB3 H 1 2.269 0.030 . 2 . . . . 73 PRO HB3 . 11158 1 874 . 1 1 73 73 PRO HD2 H 1 3.364 0.030 . 2 . . . . 73 PRO HD2 . 11158 1 875 . 1 1 73 73 PRO HD3 H 1 3.529 0.030 . 2 . . . . 73 PRO HD3 . 11158 1 876 . 1 1 73 73 PRO HG2 H 1 1.955 0.030 . 2 . . . . 73 PRO HG2 . 11158 1 877 . 1 1 73 73 PRO HG3 H 1 1.895 0.030 . 2 . . . . 73 PRO HG3 . 11158 1 878 . 1 1 73 73 PRO C C 13 177.163 0.300 . 1 . . . . 73 PRO C . 11158 1 879 . 1 1 73 73 PRO CA C 13 64.007 0.300 . 1 . . . . 73 PRO CA . 11158 1 880 . 1 1 73 73 PRO CB C 13 32.078 0.300 . 1 . . . . 73 PRO CB . 11158 1 881 . 1 1 73 73 PRO CD C 13 50.431 0.300 . 1 . . . . 73 PRO CD . 11158 1 882 . 1 1 73 73 PRO CG C 13 27.330 0.300 . 1 . . . . 73 PRO CG . 11158 1 883 . 1 1 74 74 ASN H H 1 8.911 0.030 . 1 . . . . 74 ASN H . 11158 1 884 . 1 1 74 74 ASN HA H 1 4.761 0.030 . 1 . . . . 74 ASN HA . 11158 1 885 . 1 1 74 74 ASN HB2 H 1 2.858 0.030 . 2 . . . . 74 ASN HB2 . 11158 1 886 . 1 1 74 74 ASN HB3 H 1 2.753 0.030 . 2 . . . . 74 ASN HB3 . 11158 1 887 . 1 1 74 74 ASN HD21 H 1 7.600 0.030 . 2 . . . . 74 ASN HD21 . 11158 1 888 . 1 1 74 74 ASN HD22 H 1 6.939 0.030 . 2 . . . . 74 ASN HD22 . 11158 1 889 . 1 1 74 74 ASN C C 13 175.141 0.300 . 1 . . . . 74 ASN C . 11158 1 890 . 1 1 74 74 ASN CA C 13 53.114 0.300 . 1 . . . . 74 ASN CA . 11158 1 891 . 1 1 74 74 ASN CB C 13 38.516 0.300 . 1 . . . . 74 ASN CB . 11158 1 892 . 1 1 74 74 ASN N N 15 117.543 0.300 . 1 . . . . 74 ASN N . 11158 1 893 . 1 1 74 74 ASN ND2 N 15 112.792 0.300 . 1 . . . . 74 ASN ND2 . 11158 1 894 . 1 1 75 75 TYR H H 1 8.014 0.030 . 1 . . . . 75 TYR H . 11158 1 895 . 1 1 75 75 TYR HA H 1 4.482 0.030 . 1 . . . . 75 TYR HA . 11158 1 896 . 1 1 75 75 TYR HB2 H 1 3.081 0.030 . 1 . . . . 75 TYR HB2 . 11158 1 897 . 1 1 75 75 TYR HB3 H 1 3.081 0.030 . 1 . . . . 75 TYR HB3 . 11158 1 898 . 1 1 75 75 TYR HD1 H 1 7.120 0.030 . 1 . . . . 75 TYR HD1 . 11158 1 899 . 1 1 75 75 TYR HD2 H 1 7.120 0.030 . 1 . . . . 75 TYR HD2 . 11158 1 900 . 1 1 75 75 TYR HE1 H 1 6.789 0.030 . 1 . . . . 75 TYR HE1 . 11158 1 901 . 1 1 75 75 TYR HE2 H 1 6.789 0.030 . 1 . . . . 75 TYR HE2 . 11158 1 902 . 1 1 75 75 TYR C C 13 175.577 0.300 . 1 . . . . 75 TYR C . 11158 1 903 . 1 1 75 75 TYR CA C 13 58.521 0.300 . 1 . . . . 75 TYR CA . 11158 1 904 . 1 1 75 75 TYR CB C 13 38.698 0.300 . 1 . . . . 75 TYR CB . 11158 1 905 . 1 1 75 75 TYR CD1 C 13 133.253 0.300 . 1 . . . . 75 TYR CD1 . 11158 1 906 . 1 1 75 75 TYR CD2 C 13 133.253 0.300 . 1 . . . . 75 TYR CD2 . 11158 1 907 . 1 1 75 75 TYR CE1 C 13 118.190 0.300 . 1 . . . . 75 TYR CE1 . 11158 1 908 . 1 1 75 75 TYR CE2 C 13 118.190 0.300 . 1 . . . . 75 TYR CE2 . 11158 1 909 . 1 1 75 75 TYR N N 15 121.124 0.300 . 1 . . . . 75 TYR N . 11158 1 910 . 1 1 76 76 LYS H H 1 8.051 0.030 . 1 . . . . 76 LYS H . 11158 1 911 . 1 1 76 76 LYS HA H 1 4.311 0.030 . 1 . . . . 76 LYS HA . 11158 1 912 . 1 1 76 76 LYS HB2 H 1 1.672 0.030 . 2 . . . . 76 LYS HB2 . 11158 1 913 . 1 1 76 76 LYS HB3 H 1 1.789 0.030 . 2 . . . . 76 LYS HB3 . 11158 1 914 . 1 1 76 76 LYS HD2 H 1 1.654 0.030 . 1 . . . . 76 LYS HD2 . 11158 1 915 . 1 1 76 76 LYS HD3 H 1 1.654 0.030 . 1 . . . . 76 LYS HD3 . 11158 1 916 . 1 1 76 76 LYS HE2 H 1 2.979 0.030 . 1 . . . . 76 LYS HE2 . 11158 1 917 . 1 1 76 76 LYS HE3 H 1 2.979 0.030 . 1 . . . . 76 LYS HE3 . 11158 1 918 . 1 1 76 76 LYS HG2 H 1 1.353 0.030 . 1 . . . . 76 LYS HG2 . 11158 1 919 . 1 1 76 76 LYS HG3 H 1 1.353 0.030 . 1 . . . . 76 LYS HG3 . 11158 1 920 . 1 1 76 76 LYS C C 13 175.888 0.300 . 1 . . . . 76 LYS C . 11158 1 921 . 1 1 76 76 LYS CA C 13 55.928 0.300 . 1 . . . . 76 LYS CA . 11158 1 922 . 1 1 76 76 LYS CB C 13 33.265 0.300 . 1 . . . . 76 LYS CB . 11158 1 923 . 1 1 76 76 LYS CD C 13 29.028 0.300 . 1 . . . . 76 LYS CD . 11158 1 924 . 1 1 76 76 LYS CE C 13 42.130 0.300 . 1 . . . . 76 LYS CE . 11158 1 925 . 1 1 76 76 LYS CG C 13 24.612 0.300 . 1 . . . . 76 LYS CG . 11158 1 926 . 1 1 76 76 LYS N N 15 124.094 0.300 . 1 . . . . 76 LYS N . 11158 1 927 . 1 1 77 77 SER H H 1 8.173 0.030 . 1 . . . . 77 SER H . 11158 1 928 . 1 1 77 77 SER HA H 1 4.406 0.030 . 1 . . . . 77 SER HA . 11158 1 929 . 1 1 77 77 SER HB2 H 1 3.879 0.030 . 1 . . . . 77 SER HB2 . 11158 1 930 . 1 1 77 77 SER HB3 H 1 3.879 0.030 . 1 . . . . 77 SER HB3 . 11158 1 931 . 1 1 77 77 SER C C 13 174.563 0.300 . 1 . . . . 77 SER C . 11158 1 932 . 1 1 77 77 SER CA C 13 58.261 0.300 . 1 . . . . 77 SER CA . 11158 1 933 . 1 1 77 77 SER CB C 13 64.007 0.300 . 1 . . . . 77 SER CB . 11158 1 934 . 1 1 77 77 SER N N 15 117.024 0.300 . 1 . . . . 77 SER N . 11158 1 935 . 1 1 78 78 GLY H H 1 8.217 0.030 . 1 . . . . 78 GLY H . 11158 1 936 . 1 1 78 78 GLY HA2 H 1 4.101 0.030 . 2 . . . . 78 GLY HA2 . 11158 1 937 . 1 1 78 78 GLY HA3 H 1 4.166 0.030 . 2 . . . . 78 GLY HA3 . 11158 1 938 . 1 1 78 78 GLY C C 13 171.767 0.300 . 1 . . . . 78 GLY C . 11158 1 939 . 1 1 78 78 GLY CA C 13 44.689 0.300 . 1 . . . . 78 GLY CA . 11158 1 940 . 1 1 78 78 GLY N N 15 110.640 0.300 . 1 . . . . 78 GLY N . 11158 1 stop_ save_