data_11322 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11322 _Entry.Title ; Solution structure of the SANT domain of human KIAA1915 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2010-12-01 _Entry.Original_release_date 2010-12-01 _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 M. Yoneyama . . . 11322 2 T. Umehara . . . 11322 3 K. Saito . . . 11322 4 N. Tochio . . . 11322 5 S. Koshiba . . . 11322 6 M. Inoue . . . 11322 7 A. Tanaka . . . 11322 8 T. Kigawa . . . 11322 9 S. Yokoyama . . . 11322 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)' . 11322 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11322 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 329 11322 '15N chemical shifts' 80 11322 '1H chemical shifts' 519 11322 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 . . 2010-12-01 2010-08-10 original author . 11322 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CU7 'BMRB Entry Tracking System' 11322 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11322 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17428495 _Citation.Full_citation . _Citation.Title 'Structural and functional differences of SWIRM domain subtypes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 369 _Citation.Journal_issue 1 _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 222 _Citation.Page_last 238 _Citation.Year 2007 _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 Misao Yoneyama . . . 11322 1 2 Naoya Tochio . . . 11322 1 3 Takashi Umehara . . . 11322 1 4 Seizo Koshiba . . . 11322 1 5 Makoto Inoue . . . 11322 1 6 Takashi Yabuki . . . 11322 1 7 Masaaki Aoki . . . 11322 1 8 Eiko Seki . . . 11322 1 9 Takayoshi Matsuda . . . 11322 1 10 Satoru Watanabe . . . 11322 1 11 Yasuko Tomo . . . 11322 1 12 Yuji Nishimura . . . 11322 1 13 Takushi Harada . . . 11322 1 14 Takaho Terada . . . 11322 1 15 Mikako Shirouzu . . . 11322 1 16 Yoshihide Hayashizaki . . . 11322 1 17 Osamu Ohara . . . 11322 1 18 Akiko Tanaka . . . 11322 1 19 Takanori Kigawa . . . 11322 1 20 Shigeyuki Yokoyama . . . 11322 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11322 _Assembly.ID 1 _Assembly.Name 'KIAA1915 protein' _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 'SANT domain' 1 $entity_1 A . yes native no no . . . 11322 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 2cu7 . . . . . . 11322 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11322 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SANT domain' _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 ; GSSGSSGYSVKWTIEEKELF EQGLAKFGRRWTKISKLIGS RTVLQVKSYARQYFKNKVKC GLDKETPNQKTG ; _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 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2CU7 . "Solution Structure Of The Sant Domain Of Human Kiaa1915 Protein" . . . . . 100.00 72 100.00 100.00 7.65e-43 . . . . 11322 1 2 no DBJ BAB67808 . "KIAA1915 protein [Homo sapiens]" . . . . . 93.06 726 97.01 98.51 2.05e-35 . . . . 11322 1 3 no GB AAI67849 . "Myb-like, SWIRM and MPN domains 1 [synthetic construct]" . . . . . 93.06 828 97.01 98.51 2.91e-35 . . . . 11322 1 4 no REF NP_001078956 . "histone H2A deubiquitinase MYSM1 [Homo sapiens]" . . . . . 93.06 828 97.01 98.51 2.91e-35 . . . . 11322 1 5 no REF XP_003824269 . "PREDICTED: histone H2A deubiquitinase MYSM1 isoform X1 [Pan paniscus]" . . . . . 93.06 828 97.01 98.51 2.88e-35 . . . . 11322 1 6 no REF XP_004025928 . "PREDICTED: histone H2A deubiquitinase MYSM1 [Gorilla gorilla gorilla]" . . . . . 93.06 828 97.01 98.51 2.28e-35 . . . . 11322 1 7 no REF XP_006710377 . "PREDICTED: histone H2A deubiquitinase MYSM1 isoform X1 [Homo sapiens]" . . . . . 93.06 827 97.01 98.51 2.96e-35 . . . . 11322 1 8 no REF XP_008976222 . "PREDICTED: histone H2A deubiquitinase MYSM1 isoform X2 [Pan paniscus]" . . . . . 93.06 827 97.01 98.51 2.87e-35 . . . . 11322 1 9 no SP Q5VVJ2 . "RecName: Full=Histone H2A deubiquitinase MYSM1; Short=2A-DUB; AltName: Full=Myb-like, SWIRM and MPN domain-containing protein 1" . . . . . 93.06 828 97.01 98.51 2.91e-35 . . . . 11322 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SANT domain' . 11322 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 . 11322 1 2 . SER . 11322 1 3 . SER . 11322 1 4 . GLY . 11322 1 5 . SER . 11322 1 6 . SER . 11322 1 7 . GLY . 11322 1 8 . TYR . 11322 1 9 . SER . 11322 1 10 . VAL . 11322 1 11 . LYS . 11322 1 12 . TRP . 11322 1 13 . THR . 11322 1 14 . ILE . 11322 1 15 . GLU . 11322 1 16 . GLU . 11322 1 17 . LYS . 11322 1 18 . GLU . 11322 1 19 . LEU . 11322 1 20 . PHE . 11322 1 21 . GLU . 11322 1 22 . GLN . 11322 1 23 . GLY . 11322 1 24 . LEU . 11322 1 25 . ALA . 11322 1 26 . LYS . 11322 1 27 . PHE . 11322 1 28 . GLY . 11322 1 29 . ARG . 11322 1 30 . ARG . 11322 1 31 . TRP . 11322 1 32 . THR . 11322 1 33 . LYS . 11322 1 34 . ILE . 11322 1 35 . SER . 11322 1 36 . LYS . 11322 1 37 . LEU . 11322 1 38 . ILE . 11322 1 39 . GLY . 11322 1 40 . SER . 11322 1 41 . ARG . 11322 1 42 . THR . 11322 1 43 . VAL . 11322 1 44 . LEU . 11322 1 45 . GLN . 11322 1 46 . VAL . 11322 1 47 . LYS . 11322 1 48 . SER . 11322 1 49 . TYR . 11322 1 50 . ALA . 11322 1 51 . ARG . 11322 1 52 . GLN . 11322 1 53 . TYR . 11322 1 54 . PHE . 11322 1 55 . LYS . 11322 1 56 . ASN . 11322 1 57 . LYS . 11322 1 58 . VAL . 11322 1 59 . LYS . 11322 1 60 . CYS . 11322 1 61 . GLY . 11322 1 62 . LEU . 11322 1 63 . ASP . 11322 1 64 . LYS . 11322 1 65 . GLU . 11322 1 66 . THR . 11322 1 67 . PRO . 11322 1 68 . ASN . 11322 1 69 . GLN . 11322 1 70 . LYS . 11322 1 71 . THR . 11322 1 72 . GLY . 11322 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 11322 1 . SER 2 2 11322 1 . SER 3 3 11322 1 . GLY 4 4 11322 1 . SER 5 5 11322 1 . SER 6 6 11322 1 . GLY 7 7 11322 1 . TYR 8 8 11322 1 . SER 9 9 11322 1 . VAL 10 10 11322 1 . LYS 11 11 11322 1 . TRP 12 12 11322 1 . THR 13 13 11322 1 . ILE 14 14 11322 1 . GLU 15 15 11322 1 . GLU 16 16 11322 1 . LYS 17 17 11322 1 . GLU 18 18 11322 1 . LEU 19 19 11322 1 . PHE 20 20 11322 1 . GLU 21 21 11322 1 . GLN 22 22 11322 1 . GLY 23 23 11322 1 . LEU 24 24 11322 1 . ALA 25 25 11322 1 . LYS 26 26 11322 1 . PHE 27 27 11322 1 . GLY 28 28 11322 1 . ARG 29 29 11322 1 . ARG 30 30 11322 1 . TRP 31 31 11322 1 . THR 32 32 11322 1 . LYS 33 33 11322 1 . ILE 34 34 11322 1 . SER 35 35 11322 1 . LYS 36 36 11322 1 . LEU 37 37 11322 1 . ILE 38 38 11322 1 . GLY 39 39 11322 1 . SER 40 40 11322 1 . ARG 41 41 11322 1 . THR 42 42 11322 1 . VAL 43 43 11322 1 . LEU 44 44 11322 1 . GLN 45 45 11322 1 . VAL 46 46 11322 1 . LYS 47 47 11322 1 . SER 48 48 11322 1 . TYR 49 49 11322 1 . ALA 50 50 11322 1 . ARG 51 51 11322 1 . GLN 52 52 11322 1 . TYR 53 53 11322 1 . PHE 54 54 11322 1 . LYS 55 55 11322 1 . ASN 56 56 11322 1 . LYS 57 57 11322 1 . VAL 58 58 11322 1 . LYS 59 59 11322 1 . CYS 60 60 11322 1 . GLY 61 61 11322 1 . LEU 62 62 11322 1 . ASP 63 63 11322 1 . LYS 64 64 11322 1 . GLU 65 65 11322 1 . THR 66 66 11322 1 . PRO 67 67 11322 1 . ASN 68 68 11322 1 . GLN 69 69 11322 1 . LYS 70 70 11322 1 . THR 71 71 11322 1 . GLY 72 72 11322 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 11322 _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 . . . . . . . . . . . . . . . . . . . . . 11322 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 11322 _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' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P041018-13 . . . . . . 11322 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11322 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.83mM SANT domain U-15N, {13C;} 20mM Acetate buffer Na {(pH4.5);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 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 'SANT domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.83 . . mM . . . . 11322 1 2 'Acetate buffer Na' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11322 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11322 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11322 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11322 1 6 H2O . . . . . . solvent 90 . . % . . . . 11322 1 7 D2O . . . . . . solvent 10 . . % . . . . 11322 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 11322 _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 11322 1 pH 4.5 0.05 pH 11322 1 pressure 1 0.001 atm 11322 1 temperature 298 0.1 K 11322 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11322 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11322 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11322 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11322 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11322 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11322 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11322 _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.' . . 11322 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11322 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11322 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11322 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11322 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11322 _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.' . . 11322 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11322 5 'structure solution' 11322 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 11322 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11322 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11322 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 11322 _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 . . . . . . . . . . . . . . . . 11322 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11322 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 11322 _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 . . . . . . . . . 11322 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11322 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11322 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 11322 _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 11322 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11322 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 $XWINNMR . . 11322 1 2 $NMRPipe . . 11322 1 3 $NMRview . . 11322 1 4 $Kujira . . 11322 1 5 $CYANA . . 11322 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 2 2 SER H H 1 8.717 0.030 . 1 . . . . 2 SER H . 11322 1 2 . 1 1 2 2 SER HA H 1 4.584 0.030 . 1 . . . . 2 SER HA . 11322 1 3 . 1 1 2 2 SER HB2 H 1 3.917 0.030 . 1 . . . . 2 SER HB2 . 11322 1 4 . 1 1 2 2 SER HB3 H 1 3.917 0.030 . 1 . . . . 2 SER HB3 . 11322 1 5 . 1 1 2 2 SER C C 13 174.801 0.300 . 1 . . . . 2 SER C . 11322 1 6 . 1 1 2 2 SER CA C 13 58.330 0.300 . 1 . . . . 2 SER CA . 11322 1 7 . 1 1 2 2 SER CB C 13 63.885 0.300 . 1 . . . . 2 SER CB . 11322 1 8 . 1 1 2 2 SER N N 15 115.830 0.300 . 1 . . . . 2 SER N . 11322 1 9 . 1 1 3 3 SER H H 1 8.576 0.030 . 1 . . . . 3 SER H . 11322 1 10 . 1 1 3 3 SER HA H 1 4.505 0.030 . 1 . . . . 3 SER HA . 11322 1 11 . 1 1 3 3 SER HB2 H 1 3.917 0.030 . 1 . . . . 3 SER HB2 . 11322 1 12 . 1 1 3 3 SER HB3 H 1 3.917 0.030 . 1 . . . . 3 SER HB3 . 11322 1 13 . 1 1 3 3 SER C C 13 175.104 0.300 . 1 . . . . 3 SER C . 11322 1 14 . 1 1 3 3 SER CA C 13 58.650 0.300 . 1 . . . . 3 SER CA . 11322 1 15 . 1 1 3 3 SER CB C 13 63.944 0.300 . 1 . . . . 3 SER CB . 11322 1 16 . 1 1 3 3 SER N N 15 118.112 0.300 . 1 . . . . 3 SER N . 11322 1 17 . 1 1 4 4 GLY H H 1 8.467 0.030 . 1 . . . . 4 GLY H . 11322 1 18 . 1 1 4 4 GLY HA2 H 1 4.034 0.030 . 1 . . . . 4 GLY HA2 . 11322 1 19 . 1 1 4 4 GLY HA3 H 1 4.034 0.030 . 1 . . . . 4 GLY HA3 . 11322 1 20 . 1 1 4 4 GLY C C 13 174.400 0.300 . 1 . . . . 4 GLY C . 11322 1 21 . 1 1 4 4 GLY CA C 13 45.455 0.300 . 1 . . . . 4 GLY CA . 11322 1 22 . 1 1 4 4 GLY N N 15 110.931 0.300 . 1 . . . . 4 GLY N . 11322 1 23 . 1 1 5 5 SER H H 1 8.270 0.030 . 1 . . . . 5 SER H . 11322 1 24 . 1 1 5 5 SER HA H 1 4.505 0.030 . 1 . . . . 5 SER HA . 11322 1 25 . 1 1 5 5 SER HB2 H 1 3.890 0.030 . 1 . . . . 5 SER HB2 . 11322 1 26 . 1 1 5 5 SER HB3 H 1 3.890 0.030 . 1 . . . . 5 SER HB3 . 11322 1 27 . 1 1 5 5 SER C C 13 174.898 0.300 . 1 . . . . 5 SER C . 11322 1 28 . 1 1 5 5 SER CA C 13 58.364 0.300 . 1 . . . . 5 SER CA . 11322 1 29 . 1 1 5 5 SER CB C 13 63.986 0.300 . 1 . . . . 5 SER CB . 11322 1 30 . 1 1 5 5 SER N N 15 115.739 0.300 . 1 . . . . 5 SER N . 11322 1 31 . 1 1 6 6 SER H H 1 8.420 0.030 . 1 . . . . 6 SER H . 11322 1 32 . 1 1 6 6 SER HA H 1 4.481 0.030 . 1 . . . . 6 SER HA . 11322 1 33 . 1 1 6 6 SER HB2 H 1 3.889 0.030 . 1 . . . . 6 SER HB2 . 11322 1 34 . 1 1 6 6 SER HB3 H 1 3.889 0.030 . 1 . . . . 6 SER HB3 . 11322 1 35 . 1 1 6 6 SER C C 13 174.995 0.300 . 1 . . . . 6 SER C . 11322 1 36 . 1 1 6 6 SER CA C 13 58.739 0.300 . 1 . . . . 6 SER CA . 11322 1 37 . 1 1 6 6 SER CB C 13 63.887 0.300 . 1 . . . . 6 SER CB . 11322 1 38 . 1 1 6 6 SER N N 15 117.908 0.300 . 1 . . . . 6 SER N . 11322 1 39 . 1 1 7 7 GLY H H 1 8.352 0.030 . 1 . . . . 7 GLY H . 11322 1 40 . 1 1 7 7 GLY HA2 H 1 3.927 0.030 . 1 . . . . 7 GLY HA2 . 11322 1 41 . 1 1 7 7 GLY HA3 H 1 3.927 0.030 . 1 . . . . 7 GLY HA3 . 11322 1 42 . 1 1 7 7 GLY C C 13 173.914 0.300 . 1 . . . . 7 GLY C . 11322 1 43 . 1 1 7 7 GLY CA C 13 45.338 0.300 . 1 . . . . 7 GLY CA . 11322 1 44 . 1 1 7 7 GLY N N 15 110.456 0.300 . 1 . . . . 7 GLY N . 11322 1 45 . 1 1 8 8 TYR H H 1 8.038 0.030 . 1 . . . . 8 TYR H . 11322 1 46 . 1 1 8 8 TYR HA H 1 4.604 0.030 . 1 . . . . 8 TYR HA . 11322 1 47 . 1 1 8 8 TYR HB2 H 1 3.060 0.030 . 2 . . . . 8 TYR HB2 . 11322 1 48 . 1 1 8 8 TYR HB3 H 1 2.979 0.030 . 2 . . . . 8 TYR HB3 . 11322 1 49 . 1 1 8 8 TYR HD1 H 1 7.122 0.030 . 1 . . . . 8 TYR HD1 . 11322 1 50 . 1 1 8 8 TYR HD2 H 1 7.122 0.030 . 1 . . . . 8 TYR HD2 . 11322 1 51 . 1 1 8 8 TYR HE1 H 1 6.822 0.030 . 1 . . . . 8 TYR HE1 . 11322 1 52 . 1 1 8 8 TYR HE2 H 1 6.822 0.030 . 1 . . . . 8 TYR HE2 . 11322 1 53 . 1 1 8 8 TYR C C 13 175.978 0.300 . 1 . . . . 8 TYR C . 11322 1 54 . 1 1 8 8 TYR CA C 13 58.032 0.300 . 1 . . . . 8 TYR CA . 11322 1 55 . 1 1 8 8 TYR CB C 13 38.868 0.300 . 1 . . . . 8 TYR CB . 11322 1 56 . 1 1 8 8 TYR CD1 C 13 133.214 0.300 . 1 . . . . 8 TYR CD1 . 11322 1 57 . 1 1 8 8 TYR CD2 C 13 133.214 0.300 . 1 . . . . 8 TYR CD2 . 11322 1 58 . 1 1 8 8 TYR CE1 C 13 118.266 0.300 . 1 . . . . 8 TYR CE1 . 11322 1 59 . 1 1 8 8 TYR CE2 C 13 118.266 0.300 . 1 . . . . 8 TYR CE2 . 11322 1 60 . 1 1 8 8 TYR N N 15 120.081 0.300 . 1 . . . . 8 TYR N . 11322 1 61 . 1 1 9 9 SER H H 1 8.218 0.030 . 1 . . . . 9 SER H . 11322 1 62 . 1 1 9 9 SER HA H 1 4.489 0.030 . 1 . . . . 9 SER HA . 11322 1 63 . 1 1 9 9 SER HB2 H 1 3.847 0.030 . 1 . . . . 9 SER HB2 . 11322 1 64 . 1 1 9 9 SER HB3 H 1 3.847 0.030 . 1 . . . . 9 SER HB3 . 11322 1 65 . 1 1 9 9 SER C C 13 174.266 0.300 . 1 . . . . 9 SER C . 11322 1 66 . 1 1 9 9 SER CA C 13 58.011 0.300 . 1 . . . . 9 SER CA . 11322 1 67 . 1 1 9 9 SER CB C 13 63.971 0.300 . 1 . . . . 9 SER CB . 11322 1 68 . 1 1 9 9 SER N N 15 117.975 0.300 . 1 . . . . 9 SER N . 11322 1 69 . 1 1 10 10 VAL H H 1 8.150 0.030 . 1 . . . . 10 VAL H . 11322 1 70 . 1 1 10 10 VAL HA H 1 4.148 0.030 . 1 . . . . 10 VAL HA . 11322 1 71 . 1 1 10 10 VAL HB H 1 2.130 0.030 . 1 . . . . 10 VAL HB . 11322 1 72 . 1 1 10 10 VAL HG11 H 1 1.001 0.030 . 1 . . . . 10 VAL HG1 . 11322 1 73 . 1 1 10 10 VAL HG12 H 1 1.001 0.030 . 1 . . . . 10 VAL HG1 . 11322 1 74 . 1 1 10 10 VAL HG13 H 1 1.001 0.030 . 1 . . . . 10 VAL HG1 . 11322 1 75 . 1 1 10 10 VAL HG21 H 1 0.986 0.030 . 1 . . . . 10 VAL HG2 . 11322 1 76 . 1 1 10 10 VAL HG22 H 1 0.986 0.030 . 1 . . . . 10 VAL HG2 . 11322 1 77 . 1 1 10 10 VAL HG23 H 1 0.986 0.030 . 1 . . . . 10 VAL HG2 . 11322 1 78 . 1 1 10 10 VAL C C 13 176.792 0.300 . 1 . . . . 10 VAL C . 11322 1 79 . 1 1 10 10 VAL CA C 13 62.671 0.300 . 1 . . . . 10 VAL CA . 11322 1 80 . 1 1 10 10 VAL CB C 13 32.589 0.300 . 1 . . . . 10 VAL CB . 11322 1 81 . 1 1 10 10 VAL CG1 C 13 21.200 0.300 . 2 . . . . 10 VAL CG1 . 11322 1 82 . 1 1 10 10 VAL CG2 C 13 20.770 0.300 . 2 . . . . 10 VAL CG2 . 11322 1 83 . 1 1 10 10 VAL N N 15 122.590 0.300 . 1 . . . . 10 VAL N . 11322 1 84 . 1 1 11 11 LYS H H 1 8.408 0.030 . 1 . . . . 11 LYS H . 11322 1 85 . 1 1 11 11 LYS HA H 1 4.466 0.030 . 1 . . . . 11 LYS HA . 11322 1 86 . 1 1 11 11 LYS HB2 H 1 1.887 0.030 . 2 . . . . 11 LYS HB2 . 11322 1 87 . 1 1 11 11 LYS HB3 H 1 1.827 0.030 . 2 . . . . 11 LYS HB3 . 11322 1 88 . 1 1 11 11 LYS HD2 H 1 1.747 0.030 . 1 . . . . 11 LYS HD2 . 11322 1 89 . 1 1 11 11 LYS HD3 H 1 1.747 0.030 . 1 . . . . 11 LYS HD3 . 11322 1 90 . 1 1 11 11 LYS HE2 H 1 3.052 0.030 . 1 . . . . 11 LYS HE2 . 11322 1 91 . 1 1 11 11 LYS HE3 H 1 3.052 0.030 . 1 . . . . 11 LYS HE3 . 11322 1 92 . 1 1 11 11 LYS HG2 H 1 1.529 0.030 . 2 . . . . 11 LYS HG2 . 11322 1 93 . 1 1 11 11 LYS HG3 H 1 1.509 0.030 . 2 . . . . 11 LYS HG3 . 11322 1 94 . 1 1 11 11 LYS C C 13 176.670 0.300 . 1 . . . . 11 LYS C . 11322 1 95 . 1 1 11 11 LYS CA C 13 56.657 0.300 . 1 . . . . 11 LYS CA . 11322 1 96 . 1 1 11 11 LYS CB C 13 32.833 0.300 . 1 . . . . 11 LYS CB . 11322 1 97 . 1 1 11 11 LYS CD C 13 29.254 0.300 . 1 . . . . 11 LYS CD . 11322 1 98 . 1 1 11 11 LYS CE C 13 42.211 0.300 . 1 . . . . 11 LYS CE . 11322 1 99 . 1 1 11 11 LYS CG C 13 24.913 0.300 . 1 . . . . 11 LYS CG . 11322 1 100 . 1 1 11 11 LYS N N 15 125.843 0.300 . 1 . . . . 11 LYS N . 11322 1 101 . 1 1 12 12 TRP H H 1 8.955 0.030 . 1 . . . . 12 TRP H . 11322 1 102 . 1 1 12 12 TRP HA H 1 4.657 0.030 . 1 . . . . 12 TRP HA . 11322 1 103 . 1 1 12 12 TRP HB2 H 1 3.105 0.030 . 2 . . . . 12 TRP HB2 . 11322 1 104 . 1 1 12 12 TRP HB3 H 1 2.883 0.030 . 2 . . . . 12 TRP HB3 . 11322 1 105 . 1 1 12 12 TRP HD1 H 1 7.258 0.030 . 1 . . . . 12 TRP HD1 . 11322 1 106 . 1 1 12 12 TRP HE1 H 1 10.137 0.030 . 1 . . . . 12 TRP HE1 . 11322 1 107 . 1 1 12 12 TRP HE3 H 1 6.582 0.030 . 1 . . . . 12 TRP HE3 . 11322 1 108 . 1 1 12 12 TRP HH2 H 1 6.569 0.030 . 1 . . . . 12 TRP HH2 . 11322 1 109 . 1 1 12 12 TRP HZ2 H 1 6.858 0.030 . 1 . . . . 12 TRP HZ2 . 11322 1 110 . 1 1 12 12 TRP HZ3 H 1 6.502 0.030 . 1 . . . . 12 TRP HZ3 . 11322 1 111 . 1 1 12 12 TRP C C 13 177.714 0.300 . 1 . . . . 12 TRP C . 11322 1 112 . 1 1 12 12 TRP CA C 13 57.801 0.300 . 1 . . . . 12 TRP CA . 11322 1 113 . 1 1 12 12 TRP CB C 13 29.236 0.300 . 1 . . . . 12 TRP CB . 11322 1 114 . 1 1 12 12 TRP CD1 C 13 124.589 0.300 . 1 . . . . 12 TRP CD1 . 11322 1 115 . 1 1 12 12 TRP CE3 C 13 120.497 0.300 . 1 . . . . 12 TRP CE3 . 11322 1 116 . 1 1 12 12 TRP CH2 C 13 122.016 0.300 . 1 . . . . 12 TRP CH2 . 11322 1 117 . 1 1 12 12 TRP CZ2 C 13 112.004 0.300 . 1 . . . . 12 TRP CZ2 . 11322 1 118 . 1 1 12 12 TRP CZ3 C 13 120.640 0.300 . 1 . . . . 12 TRP CZ3 . 11322 1 119 . 1 1 12 12 TRP N N 15 126.499 0.300 . 1 . . . . 12 TRP N . 11322 1 120 . 1 1 12 12 TRP NE1 N 15 128.341 0.300 . 1 . . . . 12 TRP NE1 . 11322 1 121 . 1 1 13 13 THR H H 1 9.399 0.030 . 1 . . . . 13 THR H . 11322 1 122 . 1 1 13 13 THR HA H 1 4.501 0.030 . 1 . . . . 13 THR HA . 11322 1 123 . 1 1 13 13 THR HB H 1 4.819 0.030 . 1 . . . . 13 THR HB . 11322 1 124 . 1 1 13 13 THR HG21 H 1 1.302 0.030 . 1 . . . . 13 THR HG2 . 11322 1 125 . 1 1 13 13 THR HG22 H 1 1.302 0.030 . 1 . . . . 13 THR HG2 . 11322 1 126 . 1 1 13 13 THR HG23 H 1 1.302 0.030 . 1 . . . . 13 THR HG2 . 11322 1 127 . 1 1 13 13 THR C C 13 175.760 0.300 . 1 . . . . 13 THR C . 11322 1 128 . 1 1 13 13 THR CA C 13 60.562 0.300 . 1 . . . . 13 THR CA . 11322 1 129 . 1 1 13 13 THR CB C 13 71.278 0.300 . 1 . . . . 13 THR CB . 11322 1 130 . 1 1 13 13 THR CG2 C 13 21.866 0.300 . 1 . . . . 13 THR CG2 . 11322 1 131 . 1 1 13 13 THR N N 15 115.467 0.300 . 1 . . . . 13 THR N . 11322 1 132 . 1 1 14 14 ILE H H 1 8.744 0.030 . 1 . . . . 14 ILE H . 11322 1 133 . 1 1 14 14 ILE HA H 1 3.880 0.030 . 1 . . . . 14 ILE HA . 11322 1 134 . 1 1 14 14 ILE HB H 1 1.947 0.030 . 1 . . . . 14 ILE HB . 11322 1 135 . 1 1 14 14 ILE HD11 H 1 0.999 0.030 . 1 . . . . 14 ILE HD1 . 11322 1 136 . 1 1 14 14 ILE HD12 H 1 0.999 0.030 . 1 . . . . 14 ILE HD1 . 11322 1 137 . 1 1 14 14 ILE HD13 H 1 0.999 0.030 . 1 . . . . 14 ILE HD1 . 11322 1 138 . 1 1 14 14 ILE HG12 H 1 1.690 0.030 . 2 . . . . 14 ILE HG12 . 11322 1 139 . 1 1 14 14 ILE HG13 H 1 1.391 0.030 . 2 . . . . 14 ILE HG13 . 11322 1 140 . 1 1 14 14 ILE HG21 H 1 1.010 0.030 . 1 . . . . 14 ILE HG2 . 11322 1 141 . 1 1 14 14 ILE HG22 H 1 1.010 0.030 . 1 . . . . 14 ILE HG2 . 11322 1 142 . 1 1 14 14 ILE HG23 H 1 1.010 0.030 . 1 . . . . 14 ILE HG2 . 11322 1 143 . 1 1 14 14 ILE C C 13 178.067 0.300 . 1 . . . . 14 ILE C . 11322 1 144 . 1 1 14 14 ILE CA C 13 64.725 0.300 . 1 . . . . 14 ILE CA . 11322 1 145 . 1 1 14 14 ILE CB C 13 37.731 0.300 . 1 . . . . 14 ILE CB . 11322 1 146 . 1 1 14 14 ILE CD1 C 13 13.182 0.300 . 1 . . . . 14 ILE CD1 . 11322 1 147 . 1 1 14 14 ILE CG1 C 13 29.008 0.300 . 1 . . . . 14 ILE CG1 . 11322 1 148 . 1 1 14 14 ILE CG2 C 13 17.432 0.300 . 1 . . . . 14 ILE CG2 . 11322 1 149 . 1 1 14 14 ILE N N 15 120.582 0.300 . 1 . . . . 14 ILE N . 11322 1 150 . 1 1 15 15 GLU H H 1 8.492 0.030 . 1 . . . . 15 GLU H . 11322 1 151 . 1 1 15 15 GLU HA H 1 4.152 0.030 . 1 . . . . 15 GLU HA . 11322 1 152 . 1 1 15 15 GLU HB2 H 1 2.141 0.030 . 2 . . . . 15 GLU HB2 . 11322 1 153 . 1 1 15 15 GLU HB3 H 1 1.964 0.030 . 2 . . . . 15 GLU HB3 . 11322 1 154 . 1 1 15 15 GLU HG2 H 1 2.513 0.030 . 2 . . . . 15 GLU HG2 . 11322 1 155 . 1 1 15 15 GLU HG3 H 1 2.363 0.030 . 2 . . . . 15 GLU HG3 . 11322 1 156 . 1 1 15 15 GLU C C 13 179.196 0.300 . 1 . . . . 15 GLU C . 11322 1 157 . 1 1 15 15 GLU CA C 13 60.232 0.300 . 1 . . . . 15 GLU CA . 11322 1 158 . 1 1 15 15 GLU CB C 13 28.622 0.300 . 1 . . . . 15 GLU CB . 11322 1 159 . 1 1 15 15 GLU CG C 13 35.857 0.300 . 1 . . . . 15 GLU CG . 11322 1 160 . 1 1 15 15 GLU N N 15 120.023 0.300 . 1 . . . . 15 GLU N . 11322 1 161 . 1 1 16 16 GLU H H 1 7.882 0.030 . 1 . . . . 16 GLU H . 11322 1 162 . 1 1 16 16 GLU HA H 1 3.812 0.030 . 1 . . . . 16 GLU HA . 11322 1 163 . 1 1 16 16 GLU HB2 H 1 2.360 0.030 . 2 . . . . 16 GLU HB2 . 11322 1 164 . 1 1 16 16 GLU HB3 H 1 1.738 0.030 . 2 . . . . 16 GLU HB3 . 11322 1 165 . 1 1 16 16 GLU HG2 H 1 2.361 0.030 . 2 . . . . 16 GLU HG2 . 11322 1 166 . 1 1 16 16 GLU HG3 H 1 1.660 0.030 . 2 . . . . 16 GLU HG3 . 11322 1 167 . 1 1 16 16 GLU C C 13 178.940 0.300 . 1 . . . . 16 GLU C . 11322 1 168 . 1 1 16 16 GLU CA C 13 60.155 0.300 . 1 . . . . 16 GLU CA . 11322 1 169 . 1 1 16 16 GLU CB C 13 30.653 0.300 . 1 . . . . 16 GLU CB . 11322 1 170 . 1 1 16 16 GLU CG C 13 37.370 0.300 . 1 . . . . 16 GLU CG . 11322 1 171 . 1 1 16 16 GLU N N 15 119.462 0.300 . 1 . . . . 16 GLU N . 11322 1 172 . 1 1 17 17 LYS H H 1 8.573 0.030 . 1 . . . . 17 LYS H . 11322 1 173 . 1 1 17 17 LYS HA H 1 3.965 0.030 . 1 . . . . 17 LYS HA . 11322 1 174 . 1 1 17 17 LYS HB2 H 1 2.125 0.030 . 2 . . . . 17 LYS HB2 . 11322 1 175 . 1 1 17 17 LYS HB3 H 1 2.069 0.030 . 2 . . . . 17 LYS HB3 . 11322 1 176 . 1 1 17 17 LYS HD2 H 1 1.775 0.030 . 2 . . . . 17 LYS HD2 . 11322 1 177 . 1 1 17 17 LYS HD3 H 1 1.753 0.030 . 2 . . . . 17 LYS HD3 . 11322 1 178 . 1 1 17 17 LYS HE2 H 1 3.049 0.030 . 2 . . . . 17 LYS HE2 . 11322 1 179 . 1 1 17 17 LYS HE3 H 1 2.950 0.030 . 2 . . . . 17 LYS HE3 . 11322 1 180 . 1 1 17 17 LYS HG2 H 1 1.965 0.030 . 2 . . . . 17 LYS HG2 . 11322 1 181 . 1 1 17 17 LYS HG3 H 1 1.491 0.030 . 2 . . . . 17 LYS HG3 . 11322 1 182 . 1 1 17 17 LYS C C 13 180.143 0.300 . 1 . . . . 17 LYS C . 11322 1 183 . 1 1 17 17 LYS CA C 13 61.140 0.300 . 1 . . . . 17 LYS CA . 11322 1 184 . 1 1 17 17 LYS CB C 13 32.589 0.300 . 1 . . . . 17 LYS CB . 11322 1 185 . 1 1 17 17 LYS CD C 13 30.149 0.300 . 1 . . . . 17 LYS CD . 11322 1 186 . 1 1 17 17 LYS CE C 13 42.097 0.300 . 1 . . . . 17 LYS CE . 11322 1 187 . 1 1 17 17 LYS CG C 13 26.358 0.300 . 1 . . . . 17 LYS CG . 11322 1 188 . 1 1 17 17 LYS N N 15 118.555 0.300 . 1 . . . . 17 LYS N . 11322 1 189 . 1 1 18 18 GLU H H 1 8.475 0.030 . 1 . . . . 18 GLU H . 11322 1 190 . 1 1 18 18 GLU HA H 1 4.305 0.030 . 1 . . . . 18 GLU HA . 11322 1 191 . 1 1 18 18 GLU HB2 H 1 2.340 0.030 . 2 . . . . 18 GLU HB2 . 11322 1 192 . 1 1 18 18 GLU HB3 H 1 2.167 0.030 . 2 . . . . 18 GLU HB3 . 11322 1 193 . 1 1 18 18 GLU HG2 H 1 2.674 0.030 . 2 . . . . 18 GLU HG2 . 11322 1 194 . 1 1 18 18 GLU HG3 H 1 2.479 0.030 . 2 . . . . 18 GLU HG3 . 11322 1 195 . 1 1 18 18 GLU C C 13 179.706 0.300 . 1 . . . . 18 GLU C . 11322 1 196 . 1 1 18 18 GLU CA C 13 59.176 0.300 . 1 . . . . 18 GLU CA . 11322 1 197 . 1 1 18 18 GLU CB C 13 28.571 0.300 . 1 . . . . 18 GLU CB . 11322 1 198 . 1 1 18 18 GLU CG C 13 34.928 0.300 . 1 . . . . 18 GLU CG . 11322 1 199 . 1 1 18 18 GLU N N 15 120.560 0.300 . 1 . . . . 18 GLU N . 11322 1 200 . 1 1 19 19 LEU H H 1 8.406 0.030 . 1 . . . . 19 LEU H . 11322 1 201 . 1 1 19 19 LEU HA H 1 4.157 0.030 . 1 . . . . 19 LEU HA . 11322 1 202 . 1 1 19 19 LEU HB2 H 1 2.112 0.030 . 2 . . . . 19 LEU HB2 . 11322 1 203 . 1 1 19 19 LEU HB3 H 1 1.277 0.030 . 2 . . . . 19 LEU HB3 . 11322 1 204 . 1 1 19 19 LEU HD11 H 1 1.045 0.030 . 1 . . . . 19 LEU HD1 . 11322 1 205 . 1 1 19 19 LEU HD12 H 1 1.045 0.030 . 1 . . . . 19 LEU HD1 . 11322 1 206 . 1 1 19 19 LEU HD13 H 1 1.045 0.030 . 1 . . . . 19 LEU HD1 . 11322 1 207 . 1 1 19 19 LEU HD21 H 1 0.899 0.030 . 1 . . . . 19 LEU HD2 . 11322 1 208 . 1 1 19 19 LEU HD22 H 1 0.899 0.030 . 1 . . . . 19 LEU HD2 . 11322 1 209 . 1 1 19 19 LEU HD23 H 1 0.899 0.030 . 1 . . . . 19 LEU HD2 . 11322 1 210 . 1 1 19 19 LEU HG H 1 1.921 0.030 . 1 . . . . 19 LEU HG . 11322 1 211 . 1 1 19 19 LEU C C 13 179.281 0.300 . 1 . . . . 19 LEU C . 11322 1 212 . 1 1 19 19 LEU CA C 13 58.240 0.300 . 1 . . . . 19 LEU CA . 11322 1 213 . 1 1 19 19 LEU CB C 13 43.295 0.300 . 1 . . . . 19 LEU CB . 11322 1 214 . 1 1 19 19 LEU CD1 C 13 26.347 0.300 . 2 . . . . 19 LEU CD1 . 11322 1 215 . 1 1 19 19 LEU CD2 C 13 22.578 0.300 . 2 . . . . 19 LEU CD2 . 11322 1 216 . 1 1 19 19 LEU CG C 13 27.483 0.300 . 1 . . . . 19 LEU CG . 11322 1 217 . 1 1 19 19 LEU N N 15 121.585 0.300 . 1 . . . . 19 LEU N . 11322 1 218 . 1 1 20 20 PHE H H 1 8.571 0.030 . 1 . . . . 20 PHE H . 11322 1 219 . 1 1 20 20 PHE HA H 1 4.074 0.030 . 1 . . . . 20 PHE HA . 11322 1 220 . 1 1 20 20 PHE HB2 H 1 3.476 0.030 . 2 . . . . 20 PHE HB2 . 11322 1 221 . 1 1 20 20 PHE HB3 H 1 3.315 0.030 . 2 . . . . 20 PHE HB3 . 11322 1 222 . 1 1 20 20 PHE HD1 H 1 7.037 0.030 . 1 . . . . 20 PHE HD1 . 11322 1 223 . 1 1 20 20 PHE HD2 H 1 7.037 0.030 . 1 . . . . 20 PHE HD2 . 11322 1 224 . 1 1 20 20 PHE HE1 H 1 6.540 0.030 . 1 . . . . 20 PHE HE1 . 11322 1 225 . 1 1 20 20 PHE HE2 H 1 6.540 0.030 . 1 . . . . 20 PHE HE2 . 11322 1 226 . 1 1 20 20 PHE HZ H 1 6.853 0.030 . 1 . . . . 20 PHE HZ . 11322 1 227 . 1 1 20 20 PHE C C 13 176.197 0.300 . 1 . . . . 20 PHE C . 11322 1 228 . 1 1 20 20 PHE CA C 13 62.848 0.300 . 1 . . . . 20 PHE CA . 11322 1 229 . 1 1 20 20 PHE CB C 13 38.941 0.300 . 1 . . . . 20 PHE CB . 11322 1 230 . 1 1 20 20 PHE CD1 C 13 131.903 0.300 . 1 . . . . 20 PHE CD1 . 11322 1 231 . 1 1 20 20 PHE CD2 C 13 131.903 0.300 . 1 . . . . 20 PHE CD2 . 11322 1 232 . 1 1 20 20 PHE CE1 C 13 131.010 0.300 . 1 . . . . 20 PHE CE1 . 11322 1 233 . 1 1 20 20 PHE CE2 C 13 131.010 0.300 . 1 . . . . 20 PHE CE2 . 11322 1 234 . 1 1 20 20 PHE CZ C 13 128.233 0.300 . 1 . . . . 20 PHE CZ . 11322 1 235 . 1 1 20 20 PHE N N 15 120.377 0.300 . 1 . . . . 20 PHE N . 11322 1 236 . 1 1 21 21 GLU H H 1 7.786 0.030 . 1 . . . . 21 GLU H . 11322 1 237 . 1 1 21 21 GLU HA H 1 3.740 0.030 . 1 . . . . 21 GLU HA . 11322 1 238 . 1 1 21 21 GLU HB2 H 1 2.373 0.030 . 2 . . . . 21 GLU HB2 . 11322 1 239 . 1 1 21 21 GLU HB3 H 1 2.219 0.030 . 2 . . . . 21 GLU HB3 . 11322 1 240 . 1 1 21 21 GLU HG2 H 1 2.824 0.030 . 2 . . . . 21 GLU HG2 . 11322 1 241 . 1 1 21 21 GLU HG3 H 1 2.452 0.030 . 2 . . . . 21 GLU HG3 . 11322 1 242 . 1 1 21 21 GLU C C 13 180.069 0.300 . 1 . . . . 21 GLU C . 11322 1 243 . 1 1 21 21 GLU CA C 13 60.436 0.300 . 1 . . . . 21 GLU CA . 11322 1 244 . 1 1 21 21 GLU CB C 13 29.332 0.300 . 1 . . . . 21 GLU CB . 11322 1 245 . 1 1 21 21 GLU CG C 13 37.226 0.300 . 1 . . . . 21 GLU CG . 11322 1 246 . 1 1 21 21 GLU N N 15 117.947 0.300 . 1 . . . . 21 GLU N . 11322 1 247 . 1 1 22 22 GLN H H 1 8.503 0.030 . 1 . . . . 22 GLN H . 11322 1 248 . 1 1 22 22 GLN HA H 1 4.072 0.030 . 1 . . . . 22 GLN HA . 11322 1 249 . 1 1 22 22 GLN HB2 H 1 2.218 0.030 . 2 . . . . 22 GLN HB2 . 11322 1 250 . 1 1 22 22 GLN HB3 H 1 2.100 0.030 . 2 . . . . 22 GLN HB3 . 11322 1 251 . 1 1 22 22 GLN HE21 H 1 7.467 0.030 . 2 . . . . 22 GLN HE21 . 11322 1 252 . 1 1 22 22 GLN HE22 H 1 6.800 0.030 . 2 . . . . 22 GLN HE22 . 11322 1 253 . 1 1 22 22 GLN HG2 H 1 2.622 0.030 . 2 . . . . 22 GLN HG2 . 11322 1 254 . 1 1 22 22 GLN HG3 H 1 2.294 0.030 . 2 . . . . 22 GLN HG3 . 11322 1 255 . 1 1 22 22 GLN C C 13 179.110 0.300 . 1 . . . . 22 GLN C . 11322 1 256 . 1 1 22 22 GLN CA C 13 58.859 0.300 . 1 . . . . 22 GLN CA . 11322 1 257 . 1 1 22 22 GLN CB C 13 28.632 0.300 . 1 . . . . 22 GLN CB . 11322 1 258 . 1 1 22 22 GLN CG C 13 34.148 0.300 . 1 . . . . 22 GLN CG . 11322 1 259 . 1 1 22 22 GLN N N 15 120.567 0.300 . 1 . . . . 22 GLN N . 11322 1 260 . 1 1 22 22 GLN NE2 N 15 110.631 0.300 . 1 . . . . 22 GLN NE2 . 11322 1 261 . 1 1 23 23 GLY H H 1 8.981 0.030 . 1 . . . . 23 GLY H . 11322 1 262 . 1 1 23 23 GLY HA2 H 1 3.643 0.030 . 1 . . . . 23 GLY HA2 . 11322 1 263 . 1 1 23 23 GLY HA3 H 1 3.643 0.030 . 1 . . . . 23 GLY HA3 . 11322 1 264 . 1 1 23 23 GLY C C 13 174.388 0.300 . 1 . . . . 23 GLY C . 11322 1 265 . 1 1 23 23 GLY CA C 13 47.858 0.300 . 1 . . . . 23 GLY CA . 11322 1 266 . 1 1 23 23 GLY N N 15 109.137 0.300 . 1 . . . . 23 GLY N . 11322 1 267 . 1 1 24 24 LEU H H 1 8.529 0.030 . 1 . . . . 24 LEU H . 11322 1 268 . 1 1 24 24 LEU HA H 1 4.139 0.030 . 1 . . . . 24 LEU HA . 11322 1 269 . 1 1 24 24 LEU HB2 H 1 1.489 0.030 . 2 . . . . 24 LEU HB2 . 11322 1 270 . 1 1 24 24 LEU HB3 H 1 1.309 0.030 . 2 . . . . 24 LEU HB3 . 11322 1 271 . 1 1 24 24 LEU HD11 H 1 0.817 0.030 . 1 . . . . 24 LEU HD1 . 11322 1 272 . 1 1 24 24 LEU HD12 H 1 0.817 0.030 . 1 . . . . 24 LEU HD1 . 11322 1 273 . 1 1 24 24 LEU HD13 H 1 0.817 0.030 . 1 . . . . 24 LEU HD1 . 11322 1 274 . 1 1 24 24 LEU HD21 H 1 0.925 0.030 . 1 . . . . 24 LEU HD2 . 11322 1 275 . 1 1 24 24 LEU HD22 H 1 0.925 0.030 . 1 . . . . 24 LEU HD2 . 11322 1 276 . 1 1 24 24 LEU HD23 H 1 0.925 0.030 . 1 . . . . 24 LEU HD2 . 11322 1 277 . 1 1 24 24 LEU HG H 1 1.322 0.030 . 1 . . . . 24 LEU HG . 11322 1 278 . 1 1 24 24 LEU C C 13 180.434 0.300 . 1 . . . . 24 LEU C . 11322 1 279 . 1 1 24 24 LEU CA C 13 57.466 0.300 . 1 . . . . 24 LEU CA . 11322 1 280 . 1 1 24 24 LEU CB C 13 42.319 0.300 . 1 . . . . 24 LEU CB . 11322 1 281 . 1 1 24 24 LEU CD1 C 13 25.540 0.300 . 2 . . . . 24 LEU CD1 . 11322 1 282 . 1 1 24 24 LEU CD2 C 13 25.020 0.300 . 2 . . . . 24 LEU CD2 . 11322 1 283 . 1 1 24 24 LEU CG C 13 26.532 0.300 . 1 . . . . 24 LEU CG . 11322 1 284 . 1 1 24 24 LEU N N 15 124.218 0.300 . 1 . . . . 24 LEU N . 11322 1 285 . 1 1 25 25 ALA H H 1 7.504 0.030 . 1 . . . . 25 ALA H . 11322 1 286 . 1 1 25 25 ALA HA H 1 4.065 0.030 . 1 . . . . 25 ALA HA . 11322 1 287 . 1 1 25 25 ALA HB1 H 1 1.479 0.030 . 1 . . . . 25 ALA HB . 11322 1 288 . 1 1 25 25 ALA HB2 H 1 1.479 0.030 . 1 . . . . 25 ALA HB . 11322 1 289 . 1 1 25 25 ALA HB3 H 1 1.479 0.030 . 1 . . . . 25 ALA HB . 11322 1 290 . 1 1 25 25 ALA C C 13 179.256 0.300 . 1 . . . . 25 ALA C . 11322 1 291 . 1 1 25 25 ALA CA C 13 54.758 0.300 . 1 . . . . 25 ALA CA . 11322 1 292 . 1 1 25 25 ALA CB C 13 18.131 0.300 . 1 . . . . 25 ALA CB . 11322 1 293 . 1 1 25 25 ALA N N 15 120.574 0.300 . 1 . . . . 25 ALA N . 11322 1 294 . 1 1 26 26 LYS H H 1 7.683 0.030 . 1 . . . . 26 LYS H . 11322 1 295 . 1 1 26 26 LYS HA H 1 3.952 0.030 . 1 . . . . 26 LYS HA . 11322 1 296 . 1 1 26 26 LYS HB2 H 1 1.123 0.030 . 2 . . . . 26 LYS HB2 . 11322 1 297 . 1 1 26 26 LYS HB3 H 1 0.850 0.030 . 2 . . . . 26 LYS HB3 . 11322 1 298 . 1 1 26 26 LYS HD2 H 1 1.303 0.030 . 2 . . . . 26 LYS HD2 . 11322 1 299 . 1 1 26 26 LYS HD3 H 1 1.253 0.030 . 2 . . . . 26 LYS HD3 . 11322 1 300 . 1 1 26 26 LYS HE2 H 1 2.796 0.030 . 1 . . . . 26 LYS HE2 . 11322 1 301 . 1 1 26 26 LYS HE3 H 1 2.796 0.030 . 1 . . . . 26 LYS HE3 . 11322 1 302 . 1 1 26 26 LYS HG2 H 1 1.061 0.030 . 2 . . . . 26 LYS HG2 . 11322 1 303 . 1 1 26 26 LYS HG3 H 1 0.762 0.030 . 2 . . . . 26 LYS HG3 . 11322 1 304 . 1 1 26 26 LYS C C 13 178.419 0.300 . 1 . . . . 26 LYS C . 11322 1 305 . 1 1 26 26 LYS CA C 13 58.407 0.300 . 1 . . . . 26 LYS CA . 11322 1 306 . 1 1 26 26 LYS CB C 13 33.620 0.300 . 1 . . . . 26 LYS CB . 11322 1 307 . 1 1 26 26 LYS CD C 13 29.242 0.300 . 1 . . . . 26 LYS CD . 11322 1 308 . 1 1 26 26 LYS CE C 13 41.850 0.300 . 1 . . . . 26 LYS CE . 11322 1 309 . 1 1 26 26 LYS CG C 13 24.748 0.300 . 1 . . . . 26 LYS CG . 11322 1 310 . 1 1 26 26 LYS N N 15 116.109 0.300 . 1 . . . . 26 LYS N . 11322 1 311 . 1 1 27 27 PHE H H 1 8.790 0.030 . 1 . . . . 27 PHE H . 11322 1 312 . 1 1 27 27 PHE HA H 1 5.002 0.030 . 1 . . . . 27 PHE HA . 11322 1 313 . 1 1 27 27 PHE HB2 H 1 3.216 0.030 . 2 . . . . 27 PHE HB2 . 11322 1 314 . 1 1 27 27 PHE HB3 H 1 2.868 0.030 . 2 . . . . 27 PHE HB3 . 11322 1 315 . 1 1 27 27 PHE HD1 H 1 7.197 0.030 . 1 . . . . 27 PHE HD1 . 11322 1 316 . 1 1 27 27 PHE HD2 H 1 7.197 0.030 . 1 . . . . 27 PHE HD2 . 11322 1 317 . 1 1 27 27 PHE HE1 H 1 7.322 0.030 . 1 . . . . 27 PHE HE1 . 11322 1 318 . 1 1 27 27 PHE HE2 H 1 7.322 0.030 . 1 . . . . 27 PHE HE2 . 11322 1 319 . 1 1 27 27 PHE HZ H 1 7.384 0.030 . 1 . . . . 27 PHE HZ . 11322 1 320 . 1 1 27 27 PHE C C 13 177.362 0.300 . 1 . . . . 27 PHE C . 11322 1 321 . 1 1 27 27 PHE CA C 13 56.466 0.300 . 1 . . . . 27 PHE CA . 11322 1 322 . 1 1 27 27 PHE CB C 13 40.788 0.300 . 1 . . . . 27 PHE CB . 11322 1 323 . 1 1 27 27 PHE CD1 C 13 131.673 0.300 . 1 . . . . 27 PHE CD1 . 11322 1 324 . 1 1 27 27 PHE CD2 C 13 131.673 0.300 . 1 . . . . 27 PHE CD2 . 11322 1 325 . 1 1 27 27 PHE CE1 C 13 131.437 0.300 . 1 . . . . 27 PHE CE1 . 11322 1 326 . 1 1 27 27 PHE CE2 C 13 131.437 0.300 . 1 . . . . 27 PHE CE2 . 11322 1 327 . 1 1 27 27 PHE CZ C 13 130.286 0.300 . 1 . . . . 27 PHE CZ . 11322 1 328 . 1 1 27 27 PHE N N 15 114.442 0.300 . 1 . . . . 27 PHE N . 11322 1 329 . 1 1 28 28 GLY H H 1 7.966 0.030 . 1 . . . . 28 GLY H . 11322 1 330 . 1 1 28 28 GLY HA2 H 1 4.015 0.030 . 2 . . . . 28 GLY HA2 . 11322 1 331 . 1 1 28 28 GLY HA3 H 1 3.810 0.030 . 2 . . . . 28 GLY HA3 . 11322 1 332 . 1 1 28 28 GLY C C 13 174.084 0.300 . 1 . . . . 28 GLY C . 11322 1 333 . 1 1 28 28 GLY CA C 13 45.323 0.300 . 1 . . . . 28 GLY CA . 11322 1 334 . 1 1 28 28 GLY N N 15 110.551 0.300 . 1 . . . . 28 GLY N . 11322 1 335 . 1 1 29 29 ARG H H 1 8.178 0.030 . 1 . . . . 29 ARG H . 11322 1 336 . 1 1 29 29 ARG HA H 1 3.175 0.030 . 1 . . . . 29 ARG HA . 11322 1 337 . 1 1 29 29 ARG HB2 H 1 1.345 0.030 . 2 . . . . 29 ARG HB2 . 11322 1 338 . 1 1 29 29 ARG HB3 H 1 1.319 0.030 . 2 . . . . 29 ARG HB3 . 11322 1 339 . 1 1 29 29 ARG HD2 H 1 3.191 0.030 . 2 . . . . 29 ARG HD2 . 11322 1 340 . 1 1 29 29 ARG HD3 H 1 3.129 0.030 . 2 . . . . 29 ARG HD3 . 11322 1 341 . 1 1 29 29 ARG HE H 1 7.138 0.030 . 1 . . . . 29 ARG HE . 11322 1 342 . 1 1 29 29 ARG HG2 H 1 1.631 0.030 . 2 . . . . 29 ARG HG2 . 11322 1 343 . 1 1 29 29 ARG HG3 H 1 1.334 0.030 . 2 . . . . 29 ARG HG3 . 11322 1 344 . 1 1 29 29 ARG C C 13 175.565 0.300 . 1 . . . . 29 ARG C . 11322 1 345 . 1 1 29 29 ARG CA C 13 54.912 0.300 . 1 . . . . 29 ARG CA . 11322 1 346 . 1 1 29 29 ARG CB C 13 27.446 0.300 . 1 . . . . 29 ARG CB . 11322 1 347 . 1 1 29 29 ARG CD C 13 43.746 0.300 . 1 . . . . 29 ARG CD . 11322 1 348 . 1 1 29 29 ARG CG C 13 27.670 0.300 . 1 . . . . 29 ARG CG . 11322 1 349 . 1 1 29 29 ARG N N 15 121.113 0.300 . 1 . . . . 29 ARG N . 11322 1 350 . 1 1 29 29 ARG NE N 15 85.086 0.300 . 1 . . . . 29 ARG NE . 11322 1 351 . 1 1 30 30 ARG H H 1 7.312 0.030 . 1 . . . . 30 ARG H . 11322 1 352 . 1 1 30 30 ARG HA H 1 4.275 0.030 . 1 . . . . 30 ARG HA . 11322 1 353 . 1 1 30 30 ARG HB2 H 1 1.792 0.030 . 2 . . . . 30 ARG HB2 . 11322 1 354 . 1 1 30 30 ARG HB3 H 1 1.460 0.030 . 2 . . . . 30 ARG HB3 . 11322 1 355 . 1 1 30 30 ARG HD2 H 1 3.184 0.030 . 1 . . . . 30 ARG HD2 . 11322 1 356 . 1 1 30 30 ARG HD3 H 1 3.184 0.030 . 1 . . . . 30 ARG HD3 . 11322 1 357 . 1 1 30 30 ARG HE H 1 7.242 0.030 . 1 . . . . 30 ARG HE . 11322 1 358 . 1 1 30 30 ARG HG2 H 1 1.643 0.030 . 2 . . . . 30 ARG HG2 . 11322 1 359 . 1 1 30 30 ARG HG3 H 1 1.451 0.030 . 2 . . . . 30 ARG HG3 . 11322 1 360 . 1 1 30 30 ARG C C 13 176.695 0.300 . 1 . . . . 30 ARG C . 11322 1 361 . 1 1 30 30 ARG CA C 13 53.575 0.300 . 1 . . . . 30 ARG CA . 11322 1 362 . 1 1 30 30 ARG CB C 13 29.271 0.300 . 1 . . . . 30 ARG CB . 11322 1 363 . 1 1 30 30 ARG CD C 13 43.663 0.300 . 1 . . . . 30 ARG CD . 11322 1 364 . 1 1 30 30 ARG CG C 13 26.794 0.300 . 1 . . . . 30 ARG CG . 11322 1 365 . 1 1 30 30 ARG N N 15 122.027 0.300 . 1 . . . . 30 ARG N . 11322 1 366 . 1 1 30 30 ARG NE N 15 85.391 0.300 . 1 . . . . 30 ARG NE . 11322 1 367 . 1 1 31 31 TRP H H 1 7.175 0.030 . 1 . . . . 31 TRP H . 11322 1 368 . 1 1 31 31 TRP HA H 1 4.684 0.030 . 1 . . . . 31 TRP HA . 11322 1 369 . 1 1 31 31 TRP HB2 H 1 3.482 0.030 . 2 . . . . 31 TRP HB2 . 11322 1 370 . 1 1 31 31 TRP HB3 H 1 3.356 0.030 . 2 . . . . 31 TRP HB3 . 11322 1 371 . 1 1 31 31 TRP HD1 H 1 7.510 0.030 . 1 . . . . 31 TRP HD1 . 11322 1 372 . 1 1 31 31 TRP HE1 H 1 10.510 0.030 . 1 . . . . 31 TRP HE1 . 11322 1 373 . 1 1 31 31 TRP HE3 H 1 7.428 0.030 . 1 . . . . 31 TRP HE3 . 11322 1 374 . 1 1 31 31 TRP HH2 H 1 7.272 0.030 . 1 . . . . 31 TRP HH2 . 11322 1 375 . 1 1 31 31 TRP HZ2 H 1 7.702 0.030 . 1 . . . . 31 TRP HZ2 . 11322 1 376 . 1 1 31 31 TRP HZ3 H 1 6.951 0.030 . 1 . . . . 31 TRP HZ3 . 11322 1 377 . 1 1 31 31 TRP C C 13 178.540 0.300 . 1 . . . . 31 TRP C . 11322 1 378 . 1 1 31 31 TRP CA C 13 59.036 0.300 . 1 . . . . 31 TRP CA . 11322 1 379 . 1 1 31 31 TRP CB C 13 31.002 0.300 . 1 . . . . 31 TRP CB . 11322 1 380 . 1 1 31 31 TRP CD1 C 13 129.625 0.300 . 1 . . . . 31 TRP CD1 . 11322 1 381 . 1 1 31 31 TRP CE3 C 13 121.009 0.300 . 1 . . . . 31 TRP CE3 . 11322 1 382 . 1 1 31 31 TRP CH2 C 13 123.844 0.300 . 1 . . . . 31 TRP CH2 . 11322 1 383 . 1 1 31 31 TRP CZ2 C 13 115.093 0.300 . 1 . . . . 31 TRP CZ2 . 11322 1 384 . 1 1 31 31 TRP CZ3 C 13 121.024 0.300 . 1 . . . . 31 TRP CZ3 . 11322 1 385 . 1 1 31 31 TRP N N 15 123.150 0.300 . 1 . . . . 31 TRP N . 11322 1 386 . 1 1 31 31 TRP NE1 N 15 130.588 0.300 . 1 . . . . 31 TRP NE1 . 11322 1 387 . 1 1 32 32 THR H H 1 8.664 0.030 . 1 . . . . 32 THR H . 11322 1 388 . 1 1 32 32 THR HA H 1 4.062 0.030 . 1 . . . . 32 THR HA . 11322 1 389 . 1 1 32 32 THR HB H 1 4.326 0.030 . 1 . . . . 32 THR HB . 11322 1 390 . 1 1 32 32 THR HG21 H 1 1.344 0.030 . 1 . . . . 32 THR HG2 . 11322 1 391 . 1 1 32 32 THR HG22 H 1 1.344 0.030 . 1 . . . . 32 THR HG2 . 11322 1 392 . 1 1 32 32 THR HG23 H 1 1.344 0.030 . 1 . . . . 32 THR HG2 . 11322 1 393 . 1 1 32 32 THR C C 13 176.937 0.300 . 1 . . . . 32 THR C . 11322 1 394 . 1 1 32 32 THR CA C 13 66.113 0.300 . 1 . . . . 32 THR CA . 11322 1 395 . 1 1 32 32 THR CB C 13 67.818 0.300 . 1 . . . . 32 THR CB . 11322 1 396 . 1 1 32 32 THR CG2 C 13 22.362 0.300 . 1 . . . . 32 THR CG2 . 11322 1 397 . 1 1 32 32 THR N N 15 113.115 0.300 . 1 . . . . 32 THR N . 11322 1 398 . 1 1 33 33 LYS H H 1 6.886 0.030 . 1 . . . . 33 LYS H . 11322 1 399 . 1 1 33 33 LYS HA H 1 3.760 0.030 . 1 . . . . 33 LYS HA . 11322 1 400 . 1 1 33 33 LYS HB2 H 1 1.261 0.030 . 2 . . . . 33 LYS HB2 . 11322 1 401 . 1 1 33 33 LYS HB3 H 1 0.404 0.030 . 2 . . . . 33 LYS HB3 . 11322 1 402 . 1 1 33 33 LYS HD2 H 1 1.236 0.030 . 2 . . . . 33 LYS HD2 . 11322 1 403 . 1 1 33 33 LYS HD3 H 1 1.209 0.030 . 2 . . . . 33 LYS HD3 . 11322 1 404 . 1 1 33 33 LYS HE2 H 1 2.678 0.030 . 1 . . . . 33 LYS HE2 . 11322 1 405 . 1 1 33 33 LYS HE3 H 1 2.678 0.030 . 1 . . . . 33 LYS HE3 . 11322 1 406 . 1 1 33 33 LYS HG2 H 1 1.137 0.030 . 2 . . . . 33 LYS HG2 . 11322 1 407 . 1 1 33 33 LYS HG3 H 1 1.048 0.030 . 2 . . . . 33 LYS HG3 . 11322 1 408 . 1 1 33 33 LYS C C 13 179.196 0.300 . 1 . . . . 33 LYS C . 11322 1 409 . 1 1 33 33 LYS CA C 13 58.542 0.300 . 1 . . . . 33 LYS CA . 11322 1 410 . 1 1 33 33 LYS CB C 13 31.033 0.300 . 1 . . . . 33 LYS CB . 11322 1 411 . 1 1 33 33 LYS CD C 13 28.596 0.300 . 1 . . . . 33 LYS CD . 11322 1 412 . 1 1 33 33 LYS CE C 13 41.824 0.300 . 1 . . . . 33 LYS CE . 11322 1 413 . 1 1 33 33 LYS CG C 13 25.132 0.300 . 1 . . . . 33 LYS CG . 11322 1 414 . 1 1 33 33 LYS N N 15 121.317 0.300 . 1 . . . . 33 LYS N . 11322 1 415 . 1 1 34 34 ILE H H 1 7.871 0.030 . 1 . . . . 34 ILE H . 11322 1 416 . 1 1 34 34 ILE HA H 1 3.745 0.030 . 1 . . . . 34 ILE HA . 11322 1 417 . 1 1 34 34 ILE HB H 1 2.032 0.030 . 1 . . . . 34 ILE HB . 11322 1 418 . 1 1 34 34 ILE HD11 H 1 0.950 0.030 . 1 . . . . 34 ILE HD1 . 11322 1 419 . 1 1 34 34 ILE HD12 H 1 0.950 0.030 . 1 . . . . 34 ILE HD1 . 11322 1 420 . 1 1 34 34 ILE HD13 H 1 0.950 0.030 . 1 . . . . 34 ILE HD1 . 11322 1 421 . 1 1 34 34 ILE HG12 H 1 2.041 0.030 . 2 . . . . 34 ILE HG12 . 11322 1 422 . 1 1 34 34 ILE HG13 H 1 0.699 0.030 . 2 . . . . 34 ILE HG13 . 11322 1 423 . 1 1 34 34 ILE HG21 H 1 1.273 0.030 . 1 . . . . 34 ILE HG2 . 11322 1 424 . 1 1 34 34 ILE HG22 H 1 1.273 0.030 . 1 . . . . 34 ILE HG2 . 11322 1 425 . 1 1 34 34 ILE HG23 H 1 1.273 0.030 . 1 . . . . 34 ILE HG2 . 11322 1 426 . 1 1 34 34 ILE C C 13 177.326 0.300 . 1 . . . . 34 ILE C . 11322 1 427 . 1 1 34 34 ILE CA C 13 66.729 0.300 . 1 . . . . 34 ILE CA . 11322 1 428 . 1 1 34 34 ILE CB C 13 38.841 0.300 . 1 . . . . 34 ILE CB . 11322 1 429 . 1 1 34 34 ILE CD1 C 13 13.323 0.300 . 1 . . . . 34 ILE CD1 . 11322 1 430 . 1 1 34 34 ILE CG1 C 13 31.172 0.300 . 1 . . . . 34 ILE CG1 . 11322 1 431 . 1 1 34 34 ILE CG2 C 13 18.847 0.300 . 1 . . . . 34 ILE CG2 . 11322 1 432 . 1 1 34 34 ILE N N 15 118.997 0.300 . 1 . . . . 34 ILE N . 11322 1 433 . 1 1 35 35 SER H H 1 8.616 0.030 . 1 . . . . 35 SER H . 11322 1 434 . 1 1 35 35 SER HA H 1 4.108 0.030 . 1 . . . . 35 SER HA . 11322 1 435 . 1 1 35 35 SER HB2 H 1 4.032 0.030 . 2 . . . . 35 SER HB2 . 11322 1 436 . 1 1 35 35 SER HB3 H 1 3.955 0.030 . 2 . . . . 35 SER HB3 . 11322 1 437 . 1 1 35 35 SER CA C 13 62.034 0.300 . 1 . . . . 35 SER CA . 11322 1 438 . 1 1 35 35 SER CB C 13 63.382 0.300 . 1 . . . . 35 SER CB . 11322 1 439 . 1 1 35 35 SER N N 15 113.435 0.300 . 1 . . . . 35 SER N . 11322 1 440 . 1 1 36 36 LYS H H 1 7.635 0.030 . 1 . . . . 36 LYS H . 11322 1 441 . 1 1 36 36 LYS HA H 1 4.106 0.030 . 1 . . . . 36 LYS HA . 11322 1 442 . 1 1 36 36 LYS HB2 H 1 1.908 0.030 . 1 . . . . 36 LYS HB2 . 11322 1 443 . 1 1 36 36 LYS HB3 H 1 1.908 0.030 . 1 . . . . 36 LYS HB3 . 11322 1 444 . 1 1 36 36 LYS HD2 H 1 1.690 0.030 . 1 . . . . 36 LYS HD2 . 11322 1 445 . 1 1 36 36 LYS HD3 H 1 1.690 0.030 . 1 . . . . 36 LYS HD3 . 11322 1 446 . 1 1 36 36 LYS HE2 H 1 2.975 0.030 . 1 . . . . 36 LYS HE2 . 11322 1 447 . 1 1 36 36 LYS HE3 H 1 2.975 0.030 . 1 . . . . 36 LYS HE3 . 11322 1 448 . 1 1 36 36 LYS HG2 H 1 1.590 0.030 . 2 . . . . 36 LYS HG2 . 11322 1 449 . 1 1 36 36 LYS HG3 H 1 1.508 0.030 . 2 . . . . 36 LYS HG3 . 11322 1 450 . 1 1 36 36 LYS C C 13 178.176 0.300 . 1 . . . . 36 LYS C . 11322 1 451 . 1 1 36 36 LYS CA C 13 58.918 0.300 . 1 . . . . 36 LYS CA . 11322 1 452 . 1 1 36 36 LYS CB C 13 32.159 0.300 . 1 . . . . 36 LYS CB . 11322 1 453 . 1 1 36 36 LYS CD C 13 28.913 0.300 . 1 . . . . 36 LYS CD . 11322 1 454 . 1 1 36 36 LYS CE C 13 42.180 0.300 . 1 . . . . 36 LYS CE . 11322 1 455 . 1 1 36 36 LYS CG C 13 25.156 0.300 . 1 . . . . 36 LYS CG . 11322 1 456 . 1 1 36 36 LYS N N 15 119.122 0.300 . 1 . . . . 36 LYS N . 11322 1 457 . 1 1 37 37 LEU H H 1 7.475 0.030 . 1 . . . . 37 LEU H . 11322 1 458 . 1 1 37 37 LEU HA H 1 4.224 0.030 . 1 . . . . 37 LEU HA . 11322 1 459 . 1 1 37 37 LEU HB2 H 1 2.253 0.030 . 2 . . . . 37 LEU HB2 . 11322 1 460 . 1 1 37 37 LEU HB3 H 1 1.793 0.030 . 2 . . . . 37 LEU HB3 . 11322 1 461 . 1 1 37 37 LEU HD11 H 1 1.081 0.030 . 1 . . . . 37 LEU HD1 . 11322 1 462 . 1 1 37 37 LEU HD12 H 1 1.081 0.030 . 1 . . . . 37 LEU HD1 . 11322 1 463 . 1 1 37 37 LEU HD13 H 1 1.081 0.030 . 1 . . . . 37 LEU HD1 . 11322 1 464 . 1 1 37 37 LEU HD21 H 1 1.025 0.030 . 1 . . . . 37 LEU HD2 . 11322 1 465 . 1 1 37 37 LEU HD22 H 1 1.025 0.030 . 1 . . . . 37 LEU HD2 . 11322 1 466 . 1 1 37 37 LEU HD23 H 1 1.025 0.030 . 1 . . . . 37 LEU HD2 . 11322 1 467 . 1 1 37 37 LEU HG H 1 1.698 0.030 . 1 . . . . 37 LEU HG . 11322 1 468 . 1 1 37 37 LEU C C 13 177.629 0.300 . 1 . . . . 37 LEU C . 11322 1 469 . 1 1 37 37 LEU CA C 13 57.759 0.300 . 1 . . . . 37 LEU CA . 11322 1 470 . 1 1 37 37 LEU CB C 13 42.931 0.300 . 1 . . . . 37 LEU CB . 11322 1 471 . 1 1 37 37 LEU CD1 C 13 23.762 0.300 . 2 . . . . 37 LEU CD1 . 11322 1 472 . 1 1 37 37 LEU CD2 C 13 26.786 0.300 . 2 . . . . 37 LEU CD2 . 11322 1 473 . 1 1 37 37 LEU CG C 13 27.240 0.300 . 1 . . . . 37 LEU CG . 11322 1 474 . 1 1 37 37 LEU N N 15 120.124 0.300 . 1 . . . . 37 LEU N . 11322 1 475 . 1 1 38 38 ILE H H 1 8.227 0.030 . 1 . . . . 38 ILE H . 11322 1 476 . 1 1 38 38 ILE HA H 1 3.829 0.030 . 1 . . . . 38 ILE HA . 11322 1 477 . 1 1 38 38 ILE HB H 1 1.688 0.030 . 1 . . . . 38 ILE HB . 11322 1 478 . 1 1 38 38 ILE HD11 H 1 1.131 0.030 . 1 . . . . 38 ILE HD1 . 11322 1 479 . 1 1 38 38 ILE HD12 H 1 1.131 0.030 . 1 . . . . 38 ILE HD1 . 11322 1 480 . 1 1 38 38 ILE HD13 H 1 1.131 0.030 . 1 . . . . 38 ILE HD1 . 11322 1 481 . 1 1 38 38 ILE HG12 H 1 2.063 0.030 . 2 . . . . 38 ILE HG12 . 11322 1 482 . 1 1 38 38 ILE HG13 H 1 1.123 0.030 . 2 . . . . 38 ILE HG13 . 11322 1 483 . 1 1 38 38 ILE HG21 H 1 0.823 0.030 . 1 . . . . 38 ILE HG2 . 11322 1 484 . 1 1 38 38 ILE HG22 H 1 0.823 0.030 . 1 . . . . 38 ILE HG2 . 11322 1 485 . 1 1 38 38 ILE HG23 H 1 0.823 0.030 . 1 . . . . 38 ILE HG2 . 11322 1 486 . 1 1 38 38 ILE C C 13 178.747 0.300 . 1 . . . . 38 ILE C . 11322 1 487 . 1 1 38 38 ILE CA C 13 64.759 0.300 . 1 . . . . 38 ILE CA . 11322 1 488 . 1 1 38 38 ILE CB C 13 39.972 0.300 . 1 . . . . 38 ILE CB . 11322 1 489 . 1 1 38 38 ILE CD1 C 13 16.873 0.300 . 1 . . . . 38 ILE CD1 . 11322 1 490 . 1 1 38 38 ILE CG1 C 13 28.599 0.300 . 1 . . . . 38 ILE CG1 . 11322 1 491 . 1 1 38 38 ILE CG2 C 13 18.389 0.300 . 1 . . . . 38 ILE CG2 . 11322 1 492 . 1 1 38 38 ILE N N 15 117.045 0.300 . 1 . . . . 38 ILE N . 11322 1 493 . 1 1 39 39 GLY H H 1 8.700 0.030 . 1 . . . . 39 GLY H . 11322 1 494 . 1 1 39 39 GLY HA2 H 1 3.638 0.030 . 2 . . . . 39 GLY HA2 . 11322 1 495 . 1 1 39 39 GLY HA3 H 1 4.378 0.030 . 2 . . . . 39 GLY HA3 . 11322 1 496 . 1 1 39 39 GLY C C 13 176.100 0.300 . 1 . . . . 39 GLY C . 11322 1 497 . 1 1 39 39 GLY CA C 13 46.977 0.300 . 1 . . . . 39 GLY CA . 11322 1 498 . 1 1 39 39 GLY N N 15 108.305 0.300 . 1 . . . . 39 GLY N . 11322 1 499 . 1 1 40 40 SER H H 1 7.532 0.030 . 1 . . . . 40 SER H . 11322 1 500 . 1 1 40 40 SER HA H 1 4.395 0.030 . 1 . . . . 40 SER HA . 11322 1 501 . 1 1 40 40 SER HB2 H 1 4.154 0.030 . 2 . . . . 40 SER HB2 . 11322 1 502 . 1 1 40 40 SER HB3 H 1 3.547 0.030 . 2 . . . . 40 SER HB3 . 11322 1 503 . 1 1 40 40 SER C C 13 173.805 0.300 . 1 . . . . 40 SER C . 11322 1 504 . 1 1 40 40 SER CA C 13 57.973 0.300 . 1 . . . . 40 SER CA . 11322 1 505 . 1 1 40 40 SER CB C 13 62.955 0.300 . 1 . . . . 40 SER CB . 11322 1 506 . 1 1 40 40 SER N N 15 111.606 0.300 . 1 . . . . 40 SER N . 11322 1 507 . 1 1 41 41 ARG H H 1 6.611 0.030 . 1 . . . . 41 ARG H . 11322 1 508 . 1 1 41 41 ARG HA H 1 4.989 0.030 . 1 . . . . 41 ARG HA . 11322 1 509 . 1 1 41 41 ARG HB2 H 1 1.378 0.030 . 2 . . . . 41 ARG HB2 . 11322 1 510 . 1 1 41 41 ARG HB3 H 1 1.147 0.030 . 2 . . . . 41 ARG HB3 . 11322 1 511 . 1 1 41 41 ARG HD2 H 1 2.805 0.030 . 2 . . . . 41 ARG HD2 . 11322 1 512 . 1 1 41 41 ARG HD3 H 1 2.018 0.030 . 2 . . . . 41 ARG HD3 . 11322 1 513 . 1 1 41 41 ARG HE H 1 6.379 0.030 . 1 . . . . 41 ARG HE . 11322 1 514 . 1 1 41 41 ARG HG2 H 1 0.626 0.030 . 2 . . . . 41 ARG HG2 . 11322 1 515 . 1 1 41 41 ARG HG3 H 1 -0.145 0.030 . 2 . . . . 41 ARG HG3 . 11322 1 516 . 1 1 41 41 ARG C C 13 175.663 0.300 . 1 . . . . 41 ARG C . 11322 1 517 . 1 1 41 41 ARG CA C 13 52.237 0.300 . 1 . . . . 41 ARG CA . 11322 1 518 . 1 1 41 41 ARG CB C 13 33.913 0.300 . 1 . . . . 41 ARG CB . 11322 1 519 . 1 1 41 41 ARG CD C 13 41.933 0.300 . 1 . . . . 41 ARG CD . 11322 1 520 . 1 1 41 41 ARG CG C 13 24.135 0.300 . 1 . . . . 41 ARG CG . 11322 1 521 . 1 1 41 41 ARG N N 15 117.545 0.300 . 1 . . . . 41 ARG N . 11322 1 522 . 1 1 41 41 ARG NE N 15 84.929 0.300 . 1 . . . . 41 ARG NE . 11322 1 523 . 1 1 42 42 THR H H 1 8.833 0.030 . 1 . . . . 42 THR H . 11322 1 524 . 1 1 42 42 THR HA H 1 4.349 0.030 . 1 . . . . 42 THR HA . 11322 1 525 . 1 1 42 42 THR HB H 1 4.832 0.030 . 1 . . . . 42 THR HB . 11322 1 526 . 1 1 42 42 THR HG21 H 1 1.311 0.030 . 1 . . . . 42 THR HG2 . 11322 1 527 . 1 1 42 42 THR HG22 H 1 1.311 0.030 . 1 . . . . 42 THR HG2 . 11322 1 528 . 1 1 42 42 THR HG23 H 1 1.311 0.030 . 1 . . . . 42 THR HG2 . 11322 1 529 . 1 1 42 42 THR C C 13 175.250 0.300 . 1 . . . . 42 THR C . 11322 1 530 . 1 1 42 42 THR CA C 13 60.639 0.300 . 1 . . . . 42 THR CA . 11322 1 531 . 1 1 42 42 THR CB C 13 71.443 0.300 . 1 . . . . 42 THR CB . 11322 1 532 . 1 1 42 42 THR CG2 C 13 21.604 0.300 . 1 . . . . 42 THR CG2 . 11322 1 533 . 1 1 42 42 THR N N 15 114.495 0.300 . 1 . . . . 42 THR N . 11322 1 534 . 1 1 43 43 VAL H H 1 8.825 0.030 . 1 . . . . 43 VAL H . 11322 1 535 . 1 1 43 43 VAL HA H 1 3.629 0.030 . 1 . . . . 43 VAL HA . 11322 1 536 . 1 1 43 43 VAL HB H 1 2.200 0.030 . 1 . . . . 43 VAL HB . 11322 1 537 . 1 1 43 43 VAL HG11 H 1 1.247 0.030 . 1 . . . . 43 VAL HG1 . 11322 1 538 . 1 1 43 43 VAL HG12 H 1 1.247 0.030 . 1 . . . . 43 VAL HG1 . 11322 1 539 . 1 1 43 43 VAL HG13 H 1 1.247 0.030 . 1 . . . . 43 VAL HG1 . 11322 1 540 . 1 1 43 43 VAL HG21 H 1 1.060 0.030 . 1 . . . . 43 VAL HG2 . 11322 1 541 . 1 1 43 43 VAL HG22 H 1 1.060 0.030 . 1 . . . . 43 VAL HG2 . 11322 1 542 . 1 1 43 43 VAL HG23 H 1 1.060 0.030 . 1 . . . . 43 VAL HG2 . 11322 1 543 . 1 1 43 43 VAL C C 13 177.544 0.300 . 1 . . . . 43 VAL C . 11322 1 544 . 1 1 43 43 VAL CA C 13 68.071 0.300 . 1 . . . . 43 VAL CA . 11322 1 545 . 1 1 43 43 VAL CB C 13 31.519 0.300 . 1 . . . . 43 VAL CB . 11322 1 546 . 1 1 43 43 VAL CG1 C 13 24.102 0.300 . 2 . . . . 43 VAL CG1 . 11322 1 547 . 1 1 43 43 VAL CG2 C 13 21.410 0.300 . 2 . . . . 43 VAL CG2 . 11322 1 548 . 1 1 43 43 VAL N N 15 120.764 0.300 . 1 . . . . 43 VAL N . 11322 1 549 . 1 1 44 44 LEU H H 1 8.098 0.030 . 1 . . . . 44 LEU H . 11322 1 550 . 1 1 44 44 LEU HA H 1 4.058 0.030 . 1 . . . . 44 LEU HA . 11322 1 551 . 1 1 44 44 LEU HB2 H 1 1.744 0.030 . 2 . . . . 44 LEU HB2 . 11322 1 552 . 1 1 44 44 LEU HB3 H 1 1.592 0.030 . 2 . . . . 44 LEU HB3 . 11322 1 553 . 1 1 44 44 LEU HD11 H 1 0.978 0.030 . 1 . . . . 44 LEU HD1 . 11322 1 554 . 1 1 44 44 LEU HD12 H 1 0.978 0.030 . 1 . . . . 44 LEU HD1 . 11322 1 555 . 1 1 44 44 LEU HD13 H 1 0.978 0.030 . 1 . . . . 44 LEU HD1 . 11322 1 556 . 1 1 44 44 LEU HD21 H 1 0.928 0.030 . 1 . . . . 44 LEU HD2 . 11322 1 557 . 1 1 44 44 LEU HD22 H 1 0.928 0.030 . 1 . . . . 44 LEU HD2 . 11322 1 558 . 1 1 44 44 LEU HD23 H 1 0.928 0.030 . 1 . . . . 44 LEU HD2 . 11322 1 559 . 1 1 44 44 LEU HG H 1 1.764 0.030 . 1 . . . . 44 LEU HG . 11322 1 560 . 1 1 44 44 LEU C C 13 180.483 0.300 . 1 . . . . 44 LEU C . 11322 1 561 . 1 1 44 44 LEU CA C 13 58.451 0.300 . 1 . . . . 44 LEU CA . 11322 1 562 . 1 1 44 44 LEU CB C 13 41.736 0.300 . 1 . . . . 44 LEU CB . 11322 1 563 . 1 1 44 44 LEU CD1 C 13 24.675 0.300 . 2 . . . . 44 LEU CD1 . 11322 1 564 . 1 1 44 44 LEU CD2 C 13 23.882 0.300 . 2 . . . . 44 LEU CD2 . 11322 1 565 . 1 1 44 44 LEU CG C 13 27.212 0.300 . 1 . . . . 44 LEU CG . 11322 1 566 . 1 1 44 44 LEU N N 15 118.890 0.300 . 1 . . . . 44 LEU N . 11322 1 567 . 1 1 45 45 GLN H H 1 7.726 0.030 . 1 . . . . 45 GLN H . 11322 1 568 . 1 1 45 45 GLN HA H 1 4.240 0.030 . 1 . . . . 45 GLN HA . 11322 1 569 . 1 1 45 45 GLN HB2 H 1 2.537 0.030 . 2 . . . . 45 GLN HB2 . 11322 1 570 . 1 1 45 45 GLN HB3 H 1 2.130 0.030 . 2 . . . . 45 GLN HB3 . 11322 1 571 . 1 1 45 45 GLN HE21 H 1 7.594 0.030 . 2 . . . . 45 GLN HE21 . 11322 1 572 . 1 1 45 45 GLN HE22 H 1 7.079 0.030 . 2 . . . . 45 GLN HE22 . 11322 1 573 . 1 1 45 45 GLN HG2 H 1 2.594 0.030 . 2 . . . . 45 GLN HG2 . 11322 1 574 . 1 1 45 45 GLN HG3 H 1 2.575 0.030 . 2 . . . . 45 GLN HG3 . 11322 1 575 . 1 1 45 45 GLN C C 13 180.179 0.300 . 1 . . . . 45 GLN C . 11322 1 576 . 1 1 45 45 GLN CA C 13 59.116 0.300 . 1 . . . . 45 GLN CA . 11322 1 577 . 1 1 45 45 GLN CB C 13 29.490 0.300 . 1 . . . . 45 GLN CB . 11322 1 578 . 1 1 45 45 GLN CG C 13 35.260 0.300 . 1 . . . . 45 GLN CG . 11322 1 579 . 1 1 45 45 GLN N N 15 118.646 0.300 . 1 . . . . 45 GLN N . 11322 1 580 . 1 1 45 45 GLN NE2 N 15 112.016 0.300 . 1 . . . . 45 GLN NE2 . 11322 1 581 . 1 1 46 46 VAL H H 1 9.055 0.030 . 1 . . . . 46 VAL H . 11322 1 582 . 1 1 46 46 VAL HA H 1 3.890 0.030 . 1 . . . . 46 VAL HA . 11322 1 583 . 1 1 46 46 VAL HB H 1 2.576 0.030 . 1 . . . . 46 VAL HB . 11322 1 584 . 1 1 46 46 VAL HG11 H 1 1.470 0.030 . 1 . . . . 46 VAL HG1 . 11322 1 585 . 1 1 46 46 VAL HG12 H 1 1.470 0.030 . 1 . . . . 46 VAL HG1 . 11322 1 586 . 1 1 46 46 VAL HG13 H 1 1.470 0.030 . 1 . . . . 46 VAL HG1 . 11322 1 587 . 1 1 46 46 VAL HG21 H 1 1.252 0.030 . 1 . . . . 46 VAL HG2 . 11322 1 588 . 1 1 46 46 VAL HG22 H 1 1.252 0.030 . 1 . . . . 46 VAL HG2 . 11322 1 589 . 1 1 46 46 VAL HG23 H 1 1.252 0.030 . 1 . . . . 46 VAL HG2 . 11322 1 590 . 1 1 46 46 VAL C C 13 176.731 0.300 . 1 . . . . 46 VAL C . 11322 1 591 . 1 1 46 46 VAL CA C 13 67.641 0.300 . 1 . . . . 46 VAL CA . 11322 1 592 . 1 1 46 46 VAL CB C 13 31.702 0.300 . 1 . . . . 46 VAL CB . 11322 1 593 . 1 1 46 46 VAL CG1 C 13 23.281 0.300 . 2 . . . . 46 VAL CG1 . 11322 1 594 . 1 1 46 46 VAL CG2 C 13 24.904 0.300 . 2 . . . . 46 VAL CG2 . 11322 1 595 . 1 1 46 46 VAL N N 15 122.751 0.300 . 1 . . . . 46 VAL N . 11322 1 596 . 1 1 47 47 LYS H H 1 8.610 0.030 . 1 . . . . 47 LYS H . 11322 1 597 . 1 1 47 47 LYS HA H 1 2.944 0.030 . 1 . . . . 47 LYS HA . 11322 1 598 . 1 1 47 47 LYS HB2 H 1 1.638 0.030 . 1 . . . . 47 LYS HB2 . 11322 1 599 . 1 1 47 47 LYS HB3 H 1 1.638 0.030 . 1 . . . . 47 LYS HB3 . 11322 1 600 . 1 1 47 47 LYS HD2 H 1 1.676 0.030 . 2 . . . . 47 LYS HD2 . 11322 1 601 . 1 1 47 47 LYS HD3 H 1 1.599 0.030 . 2 . . . . 47 LYS HD3 . 11322 1 602 . 1 1 47 47 LYS HE2 H 1 2.981 0.030 . 2 . . . . 47 LYS HE2 . 11322 1 603 . 1 1 47 47 LYS HE3 H 1 2.911 0.030 . 2 . . . . 47 LYS HE3 . 11322 1 604 . 1 1 47 47 LYS HG2 H 1 1.378 0.030 . 2 . . . . 47 LYS HG2 . 11322 1 605 . 1 1 47 47 LYS HG3 H 1 0.648 0.030 . 2 . . . . 47 LYS HG3 . 11322 1 606 . 1 1 47 47 LYS C C 13 179.038 0.300 . 1 . . . . 47 LYS C . 11322 1 607 . 1 1 47 47 LYS CA C 13 60.452 0.300 . 1 . . . . 47 LYS CA . 11322 1 608 . 1 1 47 47 LYS CB C 13 32.352 0.300 . 1 . . . . 47 LYS CB . 11322 1 609 . 1 1 47 47 LYS CD C 13 29.902 0.300 . 1 . . . . 47 LYS CD . 11322 1 610 . 1 1 47 47 LYS CE C 13 42.015 0.300 . 1 . . . . 47 LYS CE . 11322 1 611 . 1 1 47 47 LYS CG C 13 25.629 0.300 . 1 . . . . 47 LYS CG . 11322 1 612 . 1 1 47 47 LYS N N 15 119.742 0.300 . 1 . . . . 47 LYS N . 11322 1 613 . 1 1 48 48 SER H H 1 7.926 0.030 . 1 . . . . 48 SER H . 11322 1 614 . 1 1 48 48 SER HA H 1 4.136 0.030 . 1 . . . . 48 SER HA . 11322 1 615 . 1 1 48 48 SER HB2 H 1 4.020 0.030 . 2 . . . . 48 SER HB2 . 11322 1 616 . 1 1 48 48 SER HB3 H 1 3.960 0.030 . 2 . . . . 48 SER HB3 . 11322 1 617 . 1 1 48 48 SER CA C 13 61.636 0.300 . 1 . . . . 48 SER CA . 11322 1 618 . 1 1 48 48 SER CB C 13 62.890 0.300 . 1 . . . . 48 SER CB . 11322 1 619 . 1 1 48 48 SER N N 15 114.038 0.300 . 1 . . . . 48 SER N . 11322 1 620 . 1 1 49 49 TYR H H 1 8.029 0.030 . 1 . . . . 49 TYR H . 11322 1 621 . 1 1 49 49 TYR HA H 1 3.626 0.030 . 1 . . . . 49 TYR HA . 11322 1 622 . 1 1 49 49 TYR HB2 H 1 2.303 0.030 . 2 . . . . 49 TYR HB2 . 11322 1 623 . 1 1 49 49 TYR HB3 H 1 2.206 0.030 . 2 . . . . 49 TYR HB3 . 11322 1 624 . 1 1 49 49 TYR HD1 H 1 5.032 0.030 . 1 . . . . 49 TYR HD1 . 11322 1 625 . 1 1 49 49 TYR HD2 H 1 5.032 0.030 . 1 . . . . 49 TYR HD2 . 11322 1 626 . 1 1 49 49 TYR HE1 H 1 5.726 0.030 . 1 . . . . 49 TYR HE1 . 11322 1 627 . 1 1 49 49 TYR HE2 H 1 5.726 0.030 . 1 . . . . 49 TYR HE2 . 11322 1 628 . 1 1 49 49 TYR C C 13 177.763 0.300 . 1 . . . . 49 TYR C . 11322 1 629 . 1 1 49 49 TYR CA C 13 61.636 0.300 . 1 . . . . 49 TYR CA . 11322 1 630 . 1 1 49 49 TYR CB C 13 39.332 0.300 . 1 . . . . 49 TYR CB . 11322 1 631 . 1 1 49 49 TYR CD1 C 13 131.876 0.300 . 1 . . . . 49 TYR CD1 . 11322 1 632 . 1 1 49 49 TYR CD2 C 13 131.876 0.300 . 1 . . . . 49 TYR CD2 . 11322 1 633 . 1 1 49 49 TYR CE1 C 13 116.481 0.300 . 1 . . . . 49 TYR CE1 . 11322 1 634 . 1 1 49 49 TYR CE2 C 13 116.481 0.300 . 1 . . . . 49 TYR CE2 . 11322 1 635 . 1 1 49 49 TYR N N 15 124.321 0.300 . 1 . . . . 49 TYR N . 11322 1 636 . 1 1 50 50 ALA H H 1 8.607 0.030 . 1 . . . . 50 ALA H . 11322 1 637 . 1 1 50 50 ALA HA H 1 3.564 0.030 . 1 . . . . 50 ALA HA . 11322 1 638 . 1 1 50 50 ALA HB1 H 1 1.230 0.030 . 1 . . . . 50 ALA HB . 11322 1 639 . 1 1 50 50 ALA HB2 H 1 1.230 0.030 . 1 . . . . 50 ALA HB . 11322 1 640 . 1 1 50 50 ALA HB3 H 1 1.230 0.030 . 1 . . . . 50 ALA HB . 11322 1 641 . 1 1 50 50 ALA C C 13 178.248 0.300 . 1 . . . . 50 ALA C . 11322 1 642 . 1 1 50 50 ALA CA C 13 54.771 0.300 . 1 . . . . 50 ALA CA . 11322 1 643 . 1 1 50 50 ALA CB C 13 18.739 0.300 . 1 . . . . 50 ALA CB . 11322 1 644 . 1 1 50 50 ALA N N 15 121.154 0.300 . 1 . . . . 50 ALA N . 11322 1 645 . 1 1 51 51 ARG H H 1 7.406 0.030 . 1 . . . . 51 ARG H . 11322 1 646 . 1 1 51 51 ARG HA H 1 4.085 0.030 . 1 . . . . 51 ARG HA . 11322 1 647 . 1 1 51 51 ARG HB2 H 1 1.927 0.030 . 1 . . . . 51 ARG HB2 . 11322 1 648 . 1 1 51 51 ARG HB3 H 1 1.927 0.030 . 1 . . . . 51 ARG HB3 . 11322 1 649 . 1 1 51 51 ARG HD2 H 1 3.270 0.030 . 1 . . . . 51 ARG HD2 . 11322 1 650 . 1 1 51 51 ARG HD3 H 1 3.270 0.030 . 1 . . . . 51 ARG HD3 . 11322 1 651 . 1 1 51 51 ARG HE H 1 7.294 0.030 . 1 . . . . 51 ARG HE . 11322 1 652 . 1 1 51 51 ARG HG2 H 1 1.844 0.030 . 2 . . . . 51 ARG HG2 . 11322 1 653 . 1 1 51 51 ARG HG3 H 1 1.626 0.030 . 2 . . . . 51 ARG HG3 . 11322 1 654 . 1 1 51 51 ARG C C 13 179.220 0.300 . 1 . . . . 51 ARG C . 11322 1 655 . 1 1 51 51 ARG CA C 13 59.543 0.300 . 1 . . . . 51 ARG CA . 11322 1 656 . 1 1 51 51 ARG CB C 13 29.993 0.300 . 1 . . . . 51 ARG CB . 11322 1 657 . 1 1 51 51 ARG CD C 13 43.587 0.300 . 1 . . . . 51 ARG CD . 11322 1 658 . 1 1 51 51 ARG CG C 13 27.677 0.300 . 1 . . . . 51 ARG CG . 11322 1 659 . 1 1 51 51 ARG N N 15 115.262 0.300 . 1 . . . . 51 ARG N . 11322 1 660 . 1 1 51 51 ARG NE N 15 84.897 0.300 . 1 . . . . 51 ARG NE . 11322 1 661 . 1 1 52 52 GLN H H 1 6.895 0.030 . 1 . . . . 52 GLN H . 11322 1 662 . 1 1 52 52 GLN HA H 1 3.972 0.030 . 1 . . . . 52 GLN HA . 11322 1 663 . 1 1 52 52 GLN HB2 H 1 1.881 0.030 . 2 . . . . 52 GLN HB2 . 11322 1 664 . 1 1 52 52 GLN HB3 H 1 1.836 0.030 . 2 . . . . 52 GLN HB3 . 11322 1 665 . 1 1 52 52 GLN HE21 H 1 7.094 0.030 . 2 . . . . 52 GLN HE21 . 11322 1 666 . 1 1 52 52 GLN HE22 H 1 6.731 0.030 . 2 . . . . 52 GLN HE22 . 11322 1 667 . 1 1 52 52 GLN HG2 H 1 2.252 0.030 . 2 . . . . 52 GLN HG2 . 11322 1 668 . 1 1 52 52 GLN HG3 H 1 2.178 0.030 . 2 . . . . 52 GLN HG3 . 11322 1 669 . 1 1 52 52 GLN C C 13 177.120 0.300 . 1 . . . . 52 GLN C . 11322 1 670 . 1 1 52 52 GLN CA C 13 57.673 0.300 . 1 . . . . 52 GLN CA . 11322 1 671 . 1 1 52 52 GLN CB C 13 28.181 0.300 . 1 . . . . 52 GLN CB . 11322 1 672 . 1 1 52 52 GLN CG C 13 33.285 0.300 . 1 . . . . 52 GLN CG . 11322 1 673 . 1 1 52 52 GLN N N 15 116.895 0.300 . 1 . . . . 52 GLN N . 11322 1 674 . 1 1 52 52 GLN NE2 N 15 112.194 0.300 . 1 . . . . 52 GLN NE2 . 11322 1 675 . 1 1 53 53 TYR H H 1 8.315 0.030 . 1 . . . . 53 TYR H . 11322 1 676 . 1 1 53 53 TYR HA H 1 3.646 0.030 . 1 . . . . 53 TYR HA . 11322 1 677 . 1 1 53 53 TYR HB2 H 1 2.564 0.030 . 2 . . . . 53 TYR HB2 . 11322 1 678 . 1 1 53 53 TYR HB3 H 1 2.010 0.030 . 2 . . . . 53 TYR HB3 . 11322 1 679 . 1 1 53 53 TYR HD1 H 1 6.214 0.030 . 1 . . . . 53 TYR HD1 . 11322 1 680 . 1 1 53 53 TYR HD2 H 1 6.214 0.030 . 1 . . . . 53 TYR HD2 . 11322 1 681 . 1 1 53 53 TYR HE1 H 1 6.692 0.030 . 1 . . . . 53 TYR HE1 . 11322 1 682 . 1 1 53 53 TYR HE2 H 1 6.692 0.030 . 1 . . . . 53 TYR HE2 . 11322 1 683 . 1 1 53 53 TYR C C 13 178.200 0.300 . 1 . . . . 53 TYR C . 11322 1 684 . 1 1 53 53 TYR CA C 13 61.112 0.300 . 1 . . . . 53 TYR CA . 11322 1 685 . 1 1 53 53 TYR CB C 13 38.795 0.300 . 1 . . . . 53 TYR CB . 11322 1 686 . 1 1 53 53 TYR CD1 C 13 133.110 0.300 . 1 . . . . 53 TYR CD1 . 11322 1 687 . 1 1 53 53 TYR CD2 C 13 133.110 0.300 . 1 . . . . 53 TYR CD2 . 11322 1 688 . 1 1 53 53 TYR CE1 C 13 118.309 0.300 . 1 . . . . 53 TYR CE1 . 11322 1 689 . 1 1 53 53 TYR CE2 C 13 118.309 0.300 . 1 . . . . 53 TYR CE2 . 11322 1 690 . 1 1 53 53 TYR N N 15 123.126 0.300 . 1 . . . . 53 TYR N . 11322 1 691 . 1 1 54 54 PHE H H 1 8.395 0.030 . 1 . . . . 54 PHE H . 11322 1 692 . 1 1 54 54 PHE HA H 1 4.403 0.030 . 1 . . . . 54 PHE HA . 11322 1 693 . 1 1 54 54 PHE HB2 H 1 3.445 0.030 . 2 . . . . 54 PHE HB2 . 11322 1 694 . 1 1 54 54 PHE HB3 H 1 3.017 0.030 . 2 . . . . 54 PHE HB3 . 11322 1 695 . 1 1 54 54 PHE HD1 H 1 7.619 0.030 . 1 . . . . 54 PHE HD1 . 11322 1 696 . 1 1 54 54 PHE HD2 H 1 7.619 0.030 . 1 . . . . 54 PHE HD2 . 11322 1 697 . 1 1 54 54 PHE HE1 H 1 7.658 0.030 . 1 . . . . 54 PHE HE1 . 11322 1 698 . 1 1 54 54 PHE HE2 H 1 7.658 0.030 . 1 . . . . 54 PHE HE2 . 11322 1 699 . 1 1 54 54 PHE HZ H 1 7.548 0.030 . 1 . . . . 54 PHE HZ . 11322 1 700 . 1 1 54 54 PHE C C 13 177.678 0.300 . 1 . . . . 54 PHE C . 11322 1 701 . 1 1 54 54 PHE CA C 13 60.666 0.300 . 1 . . . . 54 PHE CA . 11322 1 702 . 1 1 54 54 PHE CB C 13 38.440 0.300 . 1 . . . . 54 PHE CB . 11322 1 703 . 1 1 54 54 PHE CD1 C 13 132.557 0.300 . 1 . . . . 54 PHE CD1 . 11322 1 704 . 1 1 54 54 PHE CD2 C 13 132.557 0.300 . 1 . . . . 54 PHE CD2 . 11322 1 705 . 1 1 54 54 PHE CE1 C 13 130.795 0.300 . 1 . . . . 54 PHE CE1 . 11322 1 706 . 1 1 54 54 PHE CE2 C 13 130.795 0.300 . 1 . . . . 54 PHE CE2 . 11322 1 707 . 1 1 54 54 PHE CZ C 13 129.868 0.300 . 1 . . . . 54 PHE CZ . 11322 1 708 . 1 1 54 54 PHE N N 15 115.420 0.300 . 1 . . . . 54 PHE N . 11322 1 709 . 1 1 55 55 LYS H H 1 7.496 0.030 . 1 . . . . 55 LYS H . 11322 1 710 . 1 1 55 55 LYS HA H 1 4.150 0.030 . 1 . . . . 55 LYS HA . 11322 1 711 . 1 1 55 55 LYS HB2 H 1 1.922 0.030 . 2 . . . . 55 LYS HB2 . 11322 1 712 . 1 1 55 55 LYS HB3 H 1 1.861 0.030 . 2 . . . . 55 LYS HB3 . 11322 1 713 . 1 1 55 55 LYS HD2 H 1 1.685 0.030 . 1 . . . . 55 LYS HD2 . 11322 1 714 . 1 1 55 55 LYS HD3 H 1 1.685 0.030 . 1 . . . . 55 LYS HD3 . 11322 1 715 . 1 1 55 55 LYS HE2 H 1 2.988 0.030 . 1 . . . . 55 LYS HE2 . 11322 1 716 . 1 1 55 55 LYS HE3 H 1 2.988 0.030 . 1 . . . . 55 LYS HE3 . 11322 1 717 . 1 1 55 55 LYS HG2 H 1 1.534 0.030 . 2 . . . . 55 LYS HG2 . 11322 1 718 . 1 1 55 55 LYS HG3 H 1 1.441 0.030 . 2 . . . . 55 LYS HG3 . 11322 1 719 . 1 1 55 55 LYS C C 13 177.690 0.300 . 1 . . . . 55 LYS C . 11322 1 720 . 1 1 55 55 LYS CA C 13 58.705 0.300 . 1 . . . . 55 LYS CA . 11322 1 721 . 1 1 55 55 LYS CB C 13 32.332 0.300 . 1 . . . . 55 LYS CB . 11322 1 722 . 1 1 55 55 LYS CD C 13 29.325 0.300 . 1 . . . . 55 LYS CD . 11322 1 723 . 1 1 55 55 LYS CE C 13 42.180 0.300 . 1 . . . . 55 LYS CE . 11322 1 724 . 1 1 55 55 LYS CG C 13 24.875 0.300 . 1 . . . . 55 LYS CG . 11322 1 725 . 1 1 55 55 LYS N N 15 120.457 0.300 . 1 . . . . 55 LYS N . 11322 1 726 . 1 1 56 56 ASN H H 1 7.955 0.030 . 1 . . . . 56 ASN H . 11322 1 727 . 1 1 56 56 ASN HA H 1 4.596 0.030 . 1 . . . . 56 ASN HA . 11322 1 728 . 1 1 56 56 ASN HB2 H 1 2.786 0.030 . 2 . . . . 56 ASN HB2 . 11322 1 729 . 1 1 56 56 ASN HB3 H 1 2.700 0.030 . 2 . . . . 56 ASN HB3 . 11322 1 730 . 1 1 56 56 ASN HD21 H 1 7.480 0.030 . 2 . . . . 56 ASN HD21 . 11322 1 731 . 1 1 56 56 ASN HD22 H 1 6.880 0.030 . 2 . . . . 56 ASN HD22 . 11322 1 732 . 1 1 56 56 ASN C C 13 175.772 0.300 . 1 . . . . 56 ASN C . 11322 1 733 . 1 1 56 56 ASN CA C 13 54.209 0.300 . 1 . . . . 56 ASN CA . 11322 1 734 . 1 1 56 56 ASN CB C 13 38.703 0.300 . 1 . . . . 56 ASN CB . 11322 1 735 . 1 1 56 56 ASN N N 15 116.457 0.300 . 1 . . . . 56 ASN N . 11322 1 736 . 1 1 56 56 ASN ND2 N 15 112.695 0.300 . 1 . . . . 56 ASN ND2 . 11322 1 737 . 1 1 57 57 LYS H H 1 7.756 0.030 . 1 . . . . 57 LYS H . 11322 1 738 . 1 1 57 57 LYS HA H 1 4.205 0.030 . 1 . . . . 57 LYS HA . 11322 1 739 . 1 1 57 57 LYS HB2 H 1 1.845 0.030 . 2 . . . . 57 LYS HB2 . 11322 1 740 . 1 1 57 57 LYS HB3 H 1 1.745 0.030 . 2 . . . . 57 LYS HB3 . 11322 1 741 . 1 1 57 57 LYS HD2 H 1 1.598 0.030 . 2 . . . . 57 LYS HD2 . 11322 1 742 . 1 1 57 57 LYS HD3 H 1 1.553 0.030 . 2 . . . . 57 LYS HD3 . 11322 1 743 . 1 1 57 57 LYS HE2 H 1 2.979 0.030 . 2 . . . . 57 LYS HE2 . 11322 1 744 . 1 1 57 57 LYS HE3 H 1 2.849 0.030 . 2 . . . . 57 LYS HE3 . 11322 1 745 . 1 1 57 57 LYS HG2 H 1 1.350 0.030 . 2 . . . . 57 LYS HG2 . 11322 1 746 . 1 1 57 57 LYS HG3 H 1 1.318 0.030 . 2 . . . . 57 LYS HG3 . 11322 1 747 . 1 1 57 57 LYS C C 13 177.059 0.300 . 1 . . . . 57 LYS C . 11322 1 748 . 1 1 57 57 LYS CA C 13 57.011 0.300 . 1 . . . . 57 LYS CA . 11322 1 749 . 1 1 57 57 LYS CB C 13 32.817 0.300 . 1 . . . . 57 LYS CB . 11322 1 750 . 1 1 57 57 LYS CD C 13 28.947 0.300 . 1 . . . . 57 LYS CD . 11322 1 751 . 1 1 57 57 LYS CE C 13 42.262 0.300 . 1 . . . . 57 LYS CE . 11322 1 752 . 1 1 57 57 LYS CG C 13 24.708 0.300 . 1 . . . . 57 LYS CG . 11322 1 753 . 1 1 57 57 LYS N N 15 120.401 0.300 . 1 . . . . 57 LYS N . 11322 1 754 . 1 1 58 58 VAL H H 1 7.821 0.030 . 1 . . . . 58 VAL H . 11322 1 755 . 1 1 58 58 VAL HA H 1 4.066 0.030 . 1 . . . . 58 VAL HA . 11322 1 756 . 1 1 58 58 VAL HB H 1 2.137 0.030 . 1 . . . . 58 VAL HB . 11322 1 757 . 1 1 58 58 VAL HG11 H 1 0.969 0.030 . 1 . . . . 58 VAL HG1 . 11322 1 758 . 1 1 58 58 VAL HG12 H 1 0.969 0.030 . 1 . . . . 58 VAL HG1 . 11322 1 759 . 1 1 58 58 VAL HG13 H 1 0.969 0.030 . 1 . . . . 58 VAL HG1 . 11322 1 760 . 1 1 58 58 VAL HG21 H 1 0.996 0.030 . 1 . . . . 58 VAL HG2 . 11322 1 761 . 1 1 58 58 VAL HG22 H 1 0.996 0.030 . 1 . . . . 58 VAL HG2 . 11322 1 762 . 1 1 58 58 VAL HG23 H 1 0.996 0.030 . 1 . . . . 58 VAL HG2 . 11322 1 763 . 1 1 58 58 VAL CA C 13 63.020 0.300 . 1 . . . . 58 VAL CA . 11322 1 764 . 1 1 58 58 VAL CB C 13 32.557 0.300 . 1 . . . . 58 VAL CB . 11322 1 765 . 1 1 58 58 VAL CG1 C 13 21.301 0.300 . 2 . . . . 58 VAL CG1 . 11322 1 766 . 1 1 58 58 VAL CG2 C 13 21.039 0.300 . 2 . . . . 58 VAL CG2 . 11322 1 767 . 1 1 58 58 VAL N N 15 119.675 0.300 . 1 . . . . 58 VAL N . 11322 1 768 . 1 1 59 59 LYS H H 1 8.244 0.030 . 1 . . . . 59 LYS H . 11322 1 769 . 1 1 59 59 LYS HA H 1 4.329 0.030 . 1 . . . . 59 LYS HA . 11322 1 770 . 1 1 59 59 LYS HB2 H 1 1.890 0.030 . 2 . . . . 59 LYS HB2 . 11322 1 771 . 1 1 59 59 LYS HB3 H 1 1.829 0.030 . 2 . . . . 59 LYS HB3 . 11322 1 772 . 1 1 59 59 LYS HD2 H 1 1.719 0.030 . 1 . . . . 59 LYS HD2 . 11322 1 773 . 1 1 59 59 LYS HD3 H 1 1.719 0.030 . 1 . . . . 59 LYS HD3 . 11322 1 774 . 1 1 59 59 LYS HE2 H 1 2.988 0.030 . 1 . . . . 59 LYS HE2 . 11322 1 775 . 1 1 59 59 LYS HE3 H 1 2.988 0.030 . 1 . . . . 59 LYS HE3 . 11322 1 776 . 1 1 59 59 LYS HG2 H 1 1.483 0.030 . 1 . . . . 59 LYS HG2 . 11322 1 777 . 1 1 59 59 LYS HG3 H 1 1.483 0.030 . 1 . . . . 59 LYS HG3 . 11322 1 778 . 1 1 59 59 LYS C C 13 176.695 0.300 . 1 . . . . 59 LYS C . 11322 1 779 . 1 1 59 59 LYS CA C 13 56.681 0.300 . 1 . . . . 59 LYS CA . 11322 1 780 . 1 1 59 59 LYS CB C 13 32.736 0.300 . 1 . . . . 59 LYS CB . 11322 1 781 . 1 1 59 59 LYS CD C 13 29.160 0.300 . 1 . . . . 59 LYS CD . 11322 1 782 . 1 1 59 59 LYS CE C 13 42.262 0.300 . 1 . . . . 59 LYS CE . 11322 1 783 . 1 1 59 59 LYS CG C 13 24.875 0.300 . 1 . . . . 59 LYS CG . 11322 1 784 . 1 1 59 59 LYS N N 15 123.816 0.300 . 1 . . . . 59 LYS N . 11322 1 785 . 1 1 60 60 CYS H H 1 8.327 0.030 . 1 . . . . 60 CYS H . 11322 1 786 . 1 1 60 60 CYS HA H 1 4.543 0.030 . 1 . . . . 60 CYS HA . 11322 1 787 . 1 1 60 60 CYS HB2 H 1 2.969 0.030 . 1 . . . . 60 CYS HB2 . 11322 1 788 . 1 1 60 60 CYS HB3 H 1 2.969 0.030 . 1 . . . . 60 CYS HB3 . 11322 1 789 . 1 1 60 60 CYS C C 13 175.019 0.300 . 1 . . . . 60 CYS C . 11322 1 790 . 1 1 60 60 CYS CA C 13 58.843 0.300 . 1 . . . . 60 CYS CA . 11322 1 791 . 1 1 60 60 CYS CB C 13 28.256 0.300 . 1 . . . . 60 CYS CB . 11322 1 792 . 1 1 60 60 CYS N N 15 119.505 0.300 . 1 . . . . 60 CYS N . 11322 1 793 . 1 1 61 61 GLY H H 1 8.434 0.030 . 1 . . . . 61 GLY H . 11322 1 794 . 1 1 61 61 GLY HA2 H 1 4.006 0.030 . 1 . . . . 61 GLY HA2 . 11322 1 795 . 1 1 61 61 GLY HA3 H 1 4.006 0.030 . 1 . . . . 61 GLY HA3 . 11322 1 796 . 1 1 61 61 GLY C C 13 174.218 0.300 . 1 . . . . 61 GLY C . 11322 1 797 . 1 1 61 61 GLY CA C 13 45.598 0.300 . 1 . . . . 61 GLY CA . 11322 1 798 . 1 1 61 61 GLY N N 15 110.841 0.300 . 1 . . . . 61 GLY N . 11322 1 799 . 1 1 62 62 LEU H H 1 8.126 0.030 . 1 . . . . 62 LEU H . 11322 1 800 . 1 1 62 62 LEU HA H 1 4.365 0.030 . 1 . . . . 62 LEU HA . 11322 1 801 . 1 1 62 62 LEU HB2 H 1 1.641 0.030 . 1 . . . . 62 LEU HB2 . 11322 1 802 . 1 1 62 62 LEU HB3 H 1 1.641 0.030 . 1 . . . . 62 LEU HB3 . 11322 1 803 . 1 1 62 62 LEU HD11 H 1 0.931 0.030 . 1 . . . . 62 LEU HD1 . 11322 1 804 . 1 1 62 62 LEU HD12 H 1 0.931 0.030 . 1 . . . . 62 LEU HD1 . 11322 1 805 . 1 1 62 62 LEU HD13 H 1 0.931 0.030 . 1 . . . . 62 LEU HD1 . 11322 1 806 . 1 1 62 62 LEU HD21 H 1 0.882 0.030 . 1 . . . . 62 LEU HD2 . 11322 1 807 . 1 1 62 62 LEU HD22 H 1 0.882 0.030 . 1 . . . . 62 LEU HD2 . 11322 1 808 . 1 1 62 62 LEU HD23 H 1 0.882 0.030 . 1 . . . . 62 LEU HD2 . 11322 1 809 . 1 1 62 62 LEU HG H 1 1.643 0.030 . 1 . . . . 62 LEU HG . 11322 1 810 . 1 1 62 62 LEU C C 13 177.241 0.300 . 1 . . . . 62 LEU C . 11322 1 811 . 1 1 62 62 LEU CA C 13 55.397 0.300 . 1 . . . . 62 LEU CA . 11322 1 812 . 1 1 62 62 LEU CB C 13 42.453 0.300 . 1 . . . . 62 LEU CB . 11322 1 813 . 1 1 62 62 LEU CD1 C 13 25.068 0.300 . 2 . . . . 62 LEU CD1 . 11322 1 814 . 1 1 62 62 LEU CD2 C 13 23.474 0.300 . 2 . . . . 62 LEU CD2 . 11322 1 815 . 1 1 62 62 LEU CG C 13 27.100 0.300 . 1 . . . . 62 LEU CG . 11322 1 816 . 1 1 62 62 LEU N N 15 121.403 0.300 . 1 . . . . 62 LEU N . 11322 1 817 . 1 1 63 63 ASP H H 1 8.372 0.030 . 1 . . . . 63 ASP H . 11322 1 818 . 1 1 63 63 ASP HA H 1 4.597 0.030 . 1 . . . . 63 ASP HA . 11322 1 819 . 1 1 63 63 ASP HB2 H 1 2.750 0.030 . 2 . . . . 63 ASP HB2 . 11322 1 820 . 1 1 63 63 ASP HB3 H 1 2.664 0.030 . 2 . . . . 63 ASP HB3 . 11322 1 821 . 1 1 63 63 ASP C C 13 176.076 0.300 . 1 . . . . 63 ASP C . 11322 1 822 . 1 1 63 63 ASP CA C 13 54.341 0.300 . 1 . . . . 63 ASP CA . 11322 1 823 . 1 1 63 63 ASP CB C 13 40.830 0.300 . 1 . . . . 63 ASP CB . 11322 1 824 . 1 1 63 63 ASP N N 15 120.334 0.300 . 1 . . . . 63 ASP N . 11322 1 825 . 1 1 64 64 LYS H H 1 8.165 0.030 . 1 . . . . 64 LYS H . 11322 1 826 . 1 1 64 64 LYS HA H 1 4.325 0.030 . 1 . . . . 64 LYS HA . 11322 1 827 . 1 1 64 64 LYS HB2 H 1 1.880 0.030 . 2 . . . . 64 LYS HB2 . 11322 1 828 . 1 1 64 64 LYS HB3 H 1 1.773 0.030 . 2 . . . . 64 LYS HB3 . 11322 1 829 . 1 1 64 64 LYS HD2 H 1 1.705 0.030 . 1 . . . . 64 LYS HD2 . 11322 1 830 . 1 1 64 64 LYS HD3 H 1 1.705 0.030 . 1 . . . . 64 LYS HD3 . 11322 1 831 . 1 1 64 64 LYS HE2 H 1 3.027 0.030 . 1 . . . . 64 LYS HE2 . 11322 1 832 . 1 1 64 64 LYS HE3 H 1 3.027 0.030 . 1 . . . . 64 LYS HE3 . 11322 1 833 . 1 1 64 64 LYS HG2 H 1 1.428 0.030 . 1 . . . . 64 LYS HG2 . 11322 1 834 . 1 1 64 64 LYS HG3 H 1 1.428 0.030 . 1 . . . . 64 LYS HG3 . 11322 1 835 . 1 1 64 64 LYS C C 13 176.496 0.300 . 1 . . . . 64 LYS C . 11322 1 836 . 1 1 64 64 LYS CA C 13 56.297 0.300 . 1 . . . . 64 LYS CA . 11322 1 837 . 1 1 64 64 LYS CB C 13 33.043 0.300 . 1 . . . . 64 LYS CB . 11322 1 838 . 1 1 64 64 LYS CD C 13 29.078 0.300 . 1 . . . . 64 LYS CD . 11322 1 839 . 1 1 64 64 LYS CE C 13 42.180 0.300 . 1 . . . . 64 LYS CE . 11322 1 840 . 1 1 64 64 LYS CG C 13 24.628 0.300 . 1 . . . . 64 LYS CG . 11322 1 841 . 1 1 64 64 LYS N N 15 120.957 0.300 . 1 . . . . 64 LYS N . 11322 1 842 . 1 1 65 65 GLU H H 1 8.372 0.030 . 1 . . . . 65 GLU H . 11322 1 843 . 1 1 65 65 GLU HA H 1 4.377 0.030 . 1 . . . . 65 GLU HA . 11322 1 844 . 1 1 65 65 GLU HB2 H 1 2.082 0.030 . 2 . . . . 65 GLU HB2 . 11322 1 845 . 1 1 65 65 GLU HB3 H 1 1.975 0.030 . 2 . . . . 65 GLU HB3 . 11322 1 846 . 1 1 65 65 GLU HG2 H 1 2.343 0.030 . 2 . . . . 65 GLU HG2 . 11322 1 847 . 1 1 65 65 GLU HG3 H 1 2.293 0.030 . 2 . . . . 65 GLU HG3 . 11322 1 848 . 1 1 65 65 GLU C C 13 176.379 0.300 . 1 . . . . 65 GLU C . 11322 1 849 . 1 1 65 65 GLU CA C 13 56.318 0.300 . 1 . . . . 65 GLU CA . 11322 1 850 . 1 1 65 65 GLU CB C 13 30.063 0.300 . 1 . . . . 65 GLU CB . 11322 1 851 . 1 1 65 65 GLU CG C 13 35.423 0.300 . 1 . . . . 65 GLU CG . 11322 1 852 . 1 1 65 65 GLU N N 15 121.388 0.300 . 1 . . . . 65 GLU N . 11322 1 853 . 1 1 66 66 THR H H 1 8.266 0.030 . 1 . . . . 66 THR H . 11322 1 854 . 1 1 66 66 THR HA H 1 4.614 0.030 . 1 . . . . 66 THR HA . 11322 1 855 . 1 1 66 66 THR HB H 1 4.196 0.030 . 1 . . . . 66 THR HB . 11322 1 856 . 1 1 66 66 THR HG21 H 1 1.266 0.030 . 1 . . . . 66 THR HG2 . 11322 1 857 . 1 1 66 66 THR HG22 H 1 1.266 0.030 . 1 . . . . 66 THR HG2 . 11322 1 858 . 1 1 66 66 THR HG23 H 1 1.266 0.030 . 1 . . . . 66 THR HG2 . 11322 1 859 . 1 1 66 66 THR C C 13 173.077 0.300 . 1 . . . . 66 THR C . 11322 1 860 . 1 1 66 66 THR CA C 13 59.818 0.300 . 1 . . . . 66 THR CA . 11322 1 861 . 1 1 66 66 THR CB C 13 69.623 0.300 . 1 . . . . 66 THR CB . 11322 1 862 . 1 1 66 66 THR CG2 C 13 21.541 0.300 . 1 . . . . 66 THR CG2 . 11322 1 863 . 1 1 66 66 THR N N 15 117.777 0.300 . 1 . . . . 66 THR N . 11322 1 864 . 1 1 67 67 PRO HA H 1 4.440 0.030 . 1 . . . . 67 PRO HA . 11322 1 865 . 1 1 67 67 PRO HB2 H 1 2.323 0.030 . 2 . . . . 67 PRO HB2 . 11322 1 866 . 1 1 67 67 PRO HB3 H 1 1.914 0.030 . 2 . . . . 67 PRO HB3 . 11322 1 867 . 1 1 67 67 PRO HD2 H 1 3.850 0.030 . 2 . . . . 67 PRO HD2 . 11322 1 868 . 1 1 67 67 PRO HD3 H 1 3.739 0.030 . 2 . . . . 67 PRO HD3 . 11322 1 869 . 1 1 67 67 PRO HG2 H 1 2.033 0.030 . 1 . . . . 67 PRO HG2 . 11322 1 870 . 1 1 67 67 PRO HG3 H 1 2.033 0.030 . 1 . . . . 67 PRO HG3 . 11322 1 871 . 1 1 67 67 PRO C C 13 176.816 0.300 . 1 . . . . 67 PRO C . 11322 1 872 . 1 1 67 67 PRO CA C 13 63.534 0.300 . 1 . . . . 67 PRO CA . 11322 1 873 . 1 1 67 67 PRO CB C 13 32.159 0.300 . 1 . . . . 67 PRO CB . 11322 1 874 . 1 1 67 67 PRO CD C 13 51.096 0.300 . 1 . . . . 67 PRO CD . 11322 1 875 . 1 1 67 67 PRO CG C 13 27.432 0.300 . 1 . . . . 67 PRO CG . 11322 1 876 . 1 1 68 68 ASN H H 1 8.508 0.030 . 1 . . . . 68 ASN H . 11322 1 877 . 1 1 68 68 ASN HA H 1 4.662 0.030 . 1 . . . . 68 ASN HA . 11322 1 878 . 1 1 68 68 ASN HB2 H 1 2.854 0.030 . 2 . . . . 68 ASN HB2 . 11322 1 879 . 1 1 68 68 ASN HB3 H 1 2.793 0.030 . 2 . . . . 68 ASN HB3 . 11322 1 880 . 1 1 68 68 ASN C C 13 175.177 0.300 . 1 . . . . 68 ASN C . 11322 1 881 . 1 1 68 68 ASN CA C 13 53.474 0.300 . 1 . . . . 68 ASN CA . 11322 1 882 . 1 1 68 68 ASN CB C 13 38.818 0.300 . 1 . . . . 68 ASN CB . 11322 1 883 . 1 1 68 68 ASN N N 15 118.390 0.300 . 1 . . . . 68 ASN N . 11322 1 884 . 1 1 69 69 GLN H H 1 8.285 0.030 . 1 . . . . 69 GLN H . 11322 1 885 . 1 1 69 69 GLN HA H 1 4.351 0.030 . 1 . . . . 69 GLN HA . 11322 1 886 . 1 1 69 69 GLN HB2 H 1 2.135 0.030 . 2 . . . . 69 GLN HB2 . 11322 1 887 . 1 1 69 69 GLN HB3 H 1 2.006 0.030 . 2 . . . . 69 GLN HB3 . 11322 1 888 . 1 1 69 69 GLN HG2 H 1 2.373 0.030 . 1 . . . . 69 GLN HG2 . 11322 1 889 . 1 1 69 69 GLN HG3 H 1 2.373 0.030 . 1 . . . . 69 GLN HG3 . 11322 1 890 . 1 1 69 69 GLN C C 13 175.869 0.300 . 1 . . . . 69 GLN C . 11322 1 891 . 1 1 69 69 GLN CA C 13 55.973 0.300 . 1 . . . . 69 GLN CA . 11322 1 892 . 1 1 69 69 GLN CB C 13 29.623 0.300 . 1 . . . . 69 GLN CB . 11322 1 893 . 1 1 69 69 GLN CG C 13 33.857 0.300 . 1 . . . . 69 GLN CG . 11322 1 894 . 1 1 69 69 GLN N N 15 120.629 0.300 . 1 . . . . 69 GLN N . 11322 1 895 . 1 1 70 70 LYS H H 1 8.423 0.030 . 1 . . . . 70 LYS H . 11322 1 896 . 1 1 70 70 LYS HA H 1 4.427 0.030 . 1 . . . . 70 LYS HA . 11322 1 897 . 1 1 70 70 LYS HB2 H 1 1.887 0.030 . 2 . . . . 70 LYS HB2 . 11322 1 898 . 1 1 70 70 LYS HB3 H 1 1.825 0.030 . 2 . . . . 70 LYS HB3 . 11322 1 899 . 1 1 70 70 LYS HD2 H 1 1.747 0.030 . 1 . . . . 70 LYS HD2 . 11322 1 900 . 1 1 70 70 LYS HD3 H 1 1.747 0.030 . 1 . . . . 70 LYS HD3 . 11322 1 901 . 1 1 70 70 LYS HE2 H 1 3.027 0.030 . 1 . . . . 70 LYS HE2 . 11322 1 902 . 1 1 70 70 LYS HE3 H 1 3.027 0.030 . 1 . . . . 70 LYS HE3 . 11322 1 903 . 1 1 70 70 LYS HG2 H 1 1.487 0.030 . 1 . . . . 70 LYS HG2 . 11322 1 904 . 1 1 70 70 LYS HG3 H 1 1.487 0.030 . 1 . . . . 70 LYS HG3 . 11322 1 905 . 1 1 70 70 LYS C C 13 176.804 0.300 . 1 . . . . 70 LYS C . 11322 1 906 . 1 1 70 70 LYS CA C 13 56.529 0.300 . 1 . . . . 70 LYS CA . 11322 1 907 . 1 1 70 70 LYS CB C 13 32.817 0.300 . 1 . . . . 70 LYS CB . 11322 1 908 . 1 1 70 70 LYS CD C 13 29.253 0.300 . 1 . . . . 70 LYS CD . 11322 1 909 . 1 1 70 70 LYS CE C 13 42.262 0.300 . 1 . . . . 70 LYS CE . 11322 1 910 . 1 1 70 70 LYS CG C 13 24.793 0.300 . 1 . . . . 70 LYS CG . 11322 1 911 . 1 1 70 70 LYS N N 15 122.886 0.300 . 1 . . . . 70 LYS N . 11322 1 912 . 1 1 71 71 THR H H 1 8.223 0.030 . 1 . . . . 71 THR H . 11322 1 913 . 1 1 71 71 THR HA H 1 4.401 0.030 . 1 . . . . 71 THR HA . 11322 1 914 . 1 1 71 71 THR HB H 1 4.293 0.030 . 1 . . . . 71 THR HB . 11322 1 915 . 1 1 71 71 THR HG21 H 1 1.222 0.030 . 1 . . . . 71 THR HG2 . 11322 1 916 . 1 1 71 71 THR HG22 H 1 1.222 0.030 . 1 . . . . 71 THR HG2 . 11322 1 917 . 1 1 71 71 THR HG23 H 1 1.222 0.030 . 1 . . . . 71 THR HG2 . 11322 1 918 . 1 1 71 71 THR C C 13 174.254 0.300 . 1 . . . . 71 THR C . 11322 1 919 . 1 1 71 71 THR CA C 13 61.644 0.300 . 1 . . . . 71 THR CA . 11322 1 920 . 1 1 71 71 THR CB C 13 70.029 0.300 . 1 . . . . 71 THR CB . 11322 1 921 . 1 1 71 71 THR CG2 C 13 21.439 0.300 . 1 . . . . 71 THR CG2 . 11322 1 922 . 1 1 71 71 THR N N 15 115.293 0.300 . 1 . . . . 71 THR N . 11322 1 923 . 1 1 72 72 GLY H H 1 8.039 0.030 . 1 . . . . 72 GLY H . 11322 1 924 . 1 1 72 72 GLY HA2 H 1 3.806 0.030 . 1 . . . . 72 GLY HA2 . 11322 1 925 . 1 1 72 72 GLY HA3 H 1 3.806 0.030 . 1 . . . . 72 GLY HA3 . 11322 1 926 . 1 1 72 72 GLY C C 13 178.928 0.300 . 1 . . . . 72 GLY C . 11322 1 927 . 1 1 72 72 GLY CA C 13 46.203 0.300 . 1 . . . . 72 GLY CA . 11322 1 928 . 1 1 72 72 GLY N N 15 117.195 0.300 . 1 . . . . 72 GLY N . 11322 1 stop_ save_