data_11199 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11199 _Entry.Title ; Solution structure of the PDZ domain of Enigma homologue protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-22 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-21 _Entry.Original_release_date 2011-07-21 _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 X. Qin . . . 11199 2 N. Tochio . . . 11199 3 T. Kigawa . . . 11199 4 F. Hayashi . . . 11199 5 S. Yokoyama . . . 11199 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)' . 11199 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11199 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 407 11199 '15N chemical shifts' 106 11199 '1H chemical shifts' 657 11199 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-07-21 2010-07-22 original author . 11199 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WF7 'BMRB Entry Tracking System' 11199 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11199 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the PDZ domain of Enigma homologue protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 X. Qin . . . 11199 1 2 N. Tochio . . . 11199 1 3 T. Kigawa . . . 11199 1 4 F. Hayashi . . . 11199 1 5 S. Yokoyama . . . 11199 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11199 _Assembly.ID 1 _Assembly.Name 'Enigma homologue 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 'Enigma homologue protein' 1 $entity_1 A . yes native no no . . . 11199 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 1wf7 . . . . . . 11199 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11199 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ 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 ; GSSGSSGSVSLVGPAPWGFR LQGGKDFNMPLTISSLKDGG KASQAHVRIGDVVLSIDGIS AQGMTHLEAQNKIKACTGSL NMTLQRASAAAKSEPVSSGP SSG ; _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 103 _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 1WF7 . "Solution Structure Of The Pdz Domain Of Enigma Homologue Protein" . . . . . 100.00 103 100.00 100.00 4.41e-65 . . . . 11199 1 2 no DBJ BAA88828 . "ENH3 [Mus musculus]" . . . . . 90.29 239 97.85 98.92 2.20e-56 . . . . 11199 1 3 no DBJ BAB22633 . "unnamed protein product [Mus musculus]" . . . . . 90.29 214 97.85 98.92 7.43e-57 . . . . 11199 1 4 no DBJ BAB26304 . "unnamed protein product [Mus musculus]" . . . . . 90.29 214 97.85 98.92 7.43e-57 . . . . 11199 1 5 no DBJ BAE28279 . "unnamed protein product [Mus musculus]" . . . . . 90.29 591 97.85 98.92 4.67e-53 . . . . 11199 1 6 no GB ABB03726 . "ENH1 [Mus musculus]" . . . . . 90.29 591 97.85 98.92 4.48e-53 . . . . 11199 1 7 no GB ADI88504 . "ENH isoform 1b [Mus musculus]" . . . . . 90.29 482 97.85 98.92 1.63e-53 . . . . 11199 1 8 no GB ADI88505 . "ENH isoform 1c [Mus musculus]" . . . . . 90.29 526 97.85 98.92 3.37e-53 . . . . 11199 1 9 no GB ADI88506 . "ENH isoform 1d [Mus musculus]" . . . . . 90.29 574 97.85 98.92 4.34e-53 . . . . 11199 1 10 no GB ADI88507 . "ENH isoform 1e [Mus musculus]" . . . . . 90.29 614 97.85 98.92 5.95e-53 . . . . 11199 1 11 no REF NP_001177781 . "PDZ and LIM domain protein 5 isoform ENH1e [Mus musculus]" . . . . . 90.29 614 97.85 98.92 5.95e-53 . . . . 11199 1 12 no REF NP_001177782 . "PDZ and LIM domain protein 5 isoform ENH4 [Mus musculus]" . . . . . 90.29 214 97.85 98.92 7.43e-57 . . . . 11199 1 13 no REF NP_001177783 . "PDZ and LIM domain protein 5 isoform ENH1b [Mus musculus]" . . . . . 90.29 482 97.85 98.92 1.63e-53 . . . . 11199 1 14 no REF NP_001177784 . "PDZ and LIM domain protein 5 isoform ENH1c [Mus musculus]" . . . . . 90.29 526 97.85 98.92 3.37e-53 . . . . 11199 1 15 no REF NP_001177785 . "PDZ and LIM domain protein 5 isoform ENH1d [Mus musculus]" . . . . . 90.29 574 97.85 98.92 4.34e-53 . . . . 11199 1 16 no SP Q8CI51 . "RecName: Full=PDZ and LIM domain protein 5; AltName: Full=Enigma homolog; AltName: Full=Enigma-like PDZ and LIM domains protein" . . . . . 90.29 591 97.85 98.92 4.67e-53 . . . . 11199 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 11199 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 . 11199 1 2 . SER . 11199 1 3 . SER . 11199 1 4 . GLY . 11199 1 5 . SER . 11199 1 6 . SER . 11199 1 7 . GLY . 11199 1 8 . SER . 11199 1 9 . VAL . 11199 1 10 . SER . 11199 1 11 . LEU . 11199 1 12 . VAL . 11199 1 13 . GLY . 11199 1 14 . PRO . 11199 1 15 . ALA . 11199 1 16 . PRO . 11199 1 17 . TRP . 11199 1 18 . GLY . 11199 1 19 . PHE . 11199 1 20 . ARG . 11199 1 21 . LEU . 11199 1 22 . GLN . 11199 1 23 . GLY . 11199 1 24 . GLY . 11199 1 25 . LYS . 11199 1 26 . ASP . 11199 1 27 . PHE . 11199 1 28 . ASN . 11199 1 29 . MET . 11199 1 30 . PRO . 11199 1 31 . LEU . 11199 1 32 . THR . 11199 1 33 . ILE . 11199 1 34 . SER . 11199 1 35 . SER . 11199 1 36 . LEU . 11199 1 37 . LYS . 11199 1 38 . ASP . 11199 1 39 . GLY . 11199 1 40 . GLY . 11199 1 41 . LYS . 11199 1 42 . ALA . 11199 1 43 . SER . 11199 1 44 . GLN . 11199 1 45 . ALA . 11199 1 46 . HIS . 11199 1 47 . VAL . 11199 1 48 . ARG . 11199 1 49 . ILE . 11199 1 50 . GLY . 11199 1 51 . ASP . 11199 1 52 . VAL . 11199 1 53 . VAL . 11199 1 54 . LEU . 11199 1 55 . SER . 11199 1 56 . ILE . 11199 1 57 . ASP . 11199 1 58 . GLY . 11199 1 59 . ILE . 11199 1 60 . SER . 11199 1 61 . ALA . 11199 1 62 . GLN . 11199 1 63 . GLY . 11199 1 64 . MET . 11199 1 65 . THR . 11199 1 66 . HIS . 11199 1 67 . LEU . 11199 1 68 . GLU . 11199 1 69 . ALA . 11199 1 70 . GLN . 11199 1 71 . ASN . 11199 1 72 . LYS . 11199 1 73 . ILE . 11199 1 74 . LYS . 11199 1 75 . ALA . 11199 1 76 . CYS . 11199 1 77 . THR . 11199 1 78 . GLY . 11199 1 79 . SER . 11199 1 80 . LEU . 11199 1 81 . ASN . 11199 1 82 . MET . 11199 1 83 . THR . 11199 1 84 . LEU . 11199 1 85 . GLN . 11199 1 86 . ARG . 11199 1 87 . ALA . 11199 1 88 . SER . 11199 1 89 . ALA . 11199 1 90 . ALA . 11199 1 91 . ALA . 11199 1 92 . LYS . 11199 1 93 . SER . 11199 1 94 . GLU . 11199 1 95 . PRO . 11199 1 96 . VAL . 11199 1 97 . SER . 11199 1 98 . SER . 11199 1 99 . GLY . 11199 1 100 . PRO . 11199 1 101 . SER . 11199 1 102 . SER . 11199 1 103 . GLY . 11199 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 11199 1 . SER 2 2 11199 1 . SER 3 3 11199 1 . GLY 4 4 11199 1 . SER 5 5 11199 1 . SER 6 6 11199 1 . GLY 7 7 11199 1 . SER 8 8 11199 1 . VAL 9 9 11199 1 . SER 10 10 11199 1 . LEU 11 11 11199 1 . VAL 12 12 11199 1 . GLY 13 13 11199 1 . PRO 14 14 11199 1 . ALA 15 15 11199 1 . PRO 16 16 11199 1 . TRP 17 17 11199 1 . GLY 18 18 11199 1 . PHE 19 19 11199 1 . ARG 20 20 11199 1 . LEU 21 21 11199 1 . GLN 22 22 11199 1 . GLY 23 23 11199 1 . GLY 24 24 11199 1 . LYS 25 25 11199 1 . ASP 26 26 11199 1 . PHE 27 27 11199 1 . ASN 28 28 11199 1 . MET 29 29 11199 1 . PRO 30 30 11199 1 . LEU 31 31 11199 1 . THR 32 32 11199 1 . ILE 33 33 11199 1 . SER 34 34 11199 1 . SER 35 35 11199 1 . LEU 36 36 11199 1 . LYS 37 37 11199 1 . ASP 38 38 11199 1 . GLY 39 39 11199 1 . GLY 40 40 11199 1 . LYS 41 41 11199 1 . ALA 42 42 11199 1 . SER 43 43 11199 1 . GLN 44 44 11199 1 . ALA 45 45 11199 1 . HIS 46 46 11199 1 . VAL 47 47 11199 1 . ARG 48 48 11199 1 . ILE 49 49 11199 1 . GLY 50 50 11199 1 . ASP 51 51 11199 1 . VAL 52 52 11199 1 . VAL 53 53 11199 1 . LEU 54 54 11199 1 . SER 55 55 11199 1 . ILE 56 56 11199 1 . ASP 57 57 11199 1 . GLY 58 58 11199 1 . ILE 59 59 11199 1 . SER 60 60 11199 1 . ALA 61 61 11199 1 . GLN 62 62 11199 1 . GLY 63 63 11199 1 . MET 64 64 11199 1 . THR 65 65 11199 1 . HIS 66 66 11199 1 . LEU 67 67 11199 1 . GLU 68 68 11199 1 . ALA 69 69 11199 1 . GLN 70 70 11199 1 . ASN 71 71 11199 1 . LYS 72 72 11199 1 . ILE 73 73 11199 1 . LYS 74 74 11199 1 . ALA 75 75 11199 1 . CYS 76 76 11199 1 . THR 77 77 11199 1 . GLY 78 78 11199 1 . SER 79 79 11199 1 . LEU 80 80 11199 1 . ASN 81 81 11199 1 . MET 82 82 11199 1 . THR 83 83 11199 1 . LEU 84 84 11199 1 . GLN 85 85 11199 1 . ARG 86 86 11199 1 . ALA 87 87 11199 1 . SER 88 88 11199 1 . ALA 89 89 11199 1 . ALA 90 90 11199 1 . ALA 91 91 11199 1 . LYS 92 92 11199 1 . SER 93 93 11199 1 . GLU 94 94 11199 1 . PRO 95 95 11199 1 . VAL 96 96 11199 1 . SER 97 97 11199 1 . SER 98 98 11199 1 . GLY 99 99 11199 1 . PRO 100 100 11199 1 . SER 101 101 11199 1 . SER 102 102 11199 1 . GLY 103 103 11199 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 11199 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11199 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 11199 _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 . . . . . . . . . . . . . plasmid . . P030203-44 . . . . . . 11199 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11199 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.06mM 13C, 15N-labeled {protein;} 20mM {PiNa(pH6.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; _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 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.06 . . mM . . . . 11199 1 2 PiNa 'natural abundance' . . . . . buffer 20 . . mM . . . . 11199 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11199 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11199 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11199 1 6 H2O . . . . . . solvent 90 . . % . . . . 11199 1 7 D2O . . . . . . solvent 10 . . % . . . . 11199 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 11199 _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 11199 1 pH 6.0 0.05 pH 11199 1 pressure 1 0.001 atm 11199 1 temperature 298 0.1 K 11199 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11199 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11199 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11199 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11199 _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. . . 11199 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11199 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11199 _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.' . . 11199 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11199 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11199 _Software.ID 4 _Software.Name Kujira _Software.Version 0.854 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11199 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11199 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11199 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11199 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11199 5 'structure solution' 11199 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 11199 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11199 _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 Varian INOVA . 800 . . . 11199 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 11199 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11199 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11199 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 11199 _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 . . . . . . . . . 11199 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11199 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11199 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 11199 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11199 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11199 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 $VNMR . . 11199 1 2 $NMRPipe . . 11199 1 3 $NMRView . . 11199 1 4 $Kujira . . 11199 1 5 $CYANA . . 11199 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 1 1 GLY HA2 H 1 3.841 0.030 . 1 . . . . 1 GLY HA2 . 11199 1 2 . 1 1 1 1 GLY HA3 H 1 3.841 0.030 . 1 . . . . 1 GLY HA3 . 11199 1 3 . 1 1 1 1 GLY CA C 13 41.188 0.300 . 1 . . . . 1 GLY CA . 11199 1 4 . 1 1 3 3 SER H H 1 8.132 0.030 . 1 . . . . 3 SER H . 11199 1 5 . 1 1 3 3 SER N N 15 115.364 0.300 . 1 . . . . 3 SER N . 11199 1 6 . 1 1 4 4 GLY H H 1 8.360 0.030 . 1 . . . . 4 GLY H . 11199 1 7 . 1 1 4 4 GLY HA2 H 1 3.968 0.030 . 1 . . . . 4 GLY HA2 . 11199 1 8 . 1 1 4 4 GLY HA3 H 1 3.968 0.030 . 1 . . . . 4 GLY HA3 . 11199 1 9 . 1 1 4 4 GLY C C 13 171.806 0.300 . 1 . . . . 4 GLY C . 11199 1 10 . 1 1 4 4 GLY CA C 13 43.148 0.300 . 1 . . . . 4 GLY CA . 11199 1 11 . 1 1 4 4 GLY N N 15 110.478 0.300 . 1 . . . . 4 GLY N . 11199 1 12 . 1 1 5 5 SER H H 1 8.250 0.030 . 1 . . . . 5 SER H . 11199 1 13 . 1 1 5 5 SER HA H 1 4.497 0.030 . 1 . . . . 5 SER HA . 11199 1 14 . 1 1 5 5 SER HB2 H 1 3.856 0.030 . 2 . . . . 5 SER HB2 . 11199 1 15 . 1 1 5 5 SER HB3 H 1 3.804 0.030 . 2 . . . . 5 SER HB3 . 11199 1 16 . 1 1 5 5 SER C C 13 171.833 0.300 . 1 . . . . 5 SER C . 11199 1 17 . 1 1 5 5 SER CA C 13 55.942 0.300 . 1 . . . . 5 SER CA . 11199 1 18 . 1 1 5 5 SER CB C 13 61.903 0.300 . 1 . . . . 5 SER CB . 11199 1 19 . 1 1 5 5 SER N N 15 115.237 0.300 . 1 . . . . 5 SER N . 11199 1 20 . 1 1 6 6 SER H H 1 8.323 0.030 . 1 . . . . 6 SER H . 11199 1 21 . 1 1 6 6 SER HA H 1 4.828 0.030 . 1 . . . . 6 SER HA . 11199 1 22 . 1 1 6 6 SER HB2 H 1 3.779 0.030 . 1 . . . . 6 SER HB2 . 11199 1 23 . 1 1 6 6 SER HB3 H 1 3.779 0.030 . 1 . . . . 6 SER HB3 . 11199 1 24 . 1 1 6 6 SER C C 13 172.212 0.300 . 1 . . . . 6 SER C . 11199 1 25 . 1 1 6 6 SER CA C 13 55.698 0.300 . 1 . . . . 6 SER CA . 11199 1 26 . 1 1 6 6 SER CB C 13 62.380 0.300 . 1 . . . . 6 SER CB . 11199 1 27 . 1 1 6 6 SER N N 15 117.058 0.300 . 1 . . . . 6 SER N . 11199 1 28 . 1 1 7 7 GLY H H 1 8.549 0.030 . 1 . . . . 7 GLY H . 11199 1 29 . 1 1 7 7 GLY HA2 H 1 4.174 0.030 . 2 . . . . 7 GLY HA2 . 11199 1 30 . 1 1 7 7 GLY HA3 H 1 3.954 0.030 . 2 . . . . 7 GLY HA3 . 11199 1 31 . 1 1 7 7 GLY C C 13 170.563 0.300 . 1 . . . . 7 GLY C . 11199 1 32 . 1 1 7 7 GLY CA C 13 43.004 0.300 . 1 . . . . 7 GLY CA . 11199 1 33 . 1 1 7 7 GLY N N 15 109.563 0.300 . 1 . . . . 7 GLY N . 11199 1 34 . 1 1 8 8 SER H H 1 8.207 0.030 . 1 . . . . 8 SER H . 11199 1 35 . 1 1 8 8 SER HA H 1 5.041 0.030 . 1 . . . . 8 SER HA . 11199 1 36 . 1 1 8 8 SER HB2 H 1 3.764 0.030 . 2 . . . . 8 SER HB2 . 11199 1 37 . 1 1 8 8 SER HB3 H 1 3.694 0.030 . 2 . . . . 8 SER HB3 . 11199 1 38 . 1 1 8 8 SER C C 13 171.654 0.300 . 1 . . . . 8 SER C . 11199 1 39 . 1 1 8 8 SER CA C 13 55.498 0.300 . 1 . . . . 8 SER CA . 11199 1 40 . 1 1 8 8 SER CB C 13 62.233 0.300 . 1 . . . . 8 SER CB . 11199 1 41 . 1 1 8 8 SER N N 15 115.694 0.300 . 1 . . . . 8 SER N . 11199 1 42 . 1 1 9 9 VAL H H 1 8.804 0.030 . 1 . . . . 9 VAL H . 11199 1 43 . 1 1 9 9 VAL HA H 1 4.479 0.030 . 1 . . . . 9 VAL HA . 11199 1 44 . 1 1 9 9 VAL HB H 1 1.795 0.030 . 1 . . . . 9 VAL HB . 11199 1 45 . 1 1 9 9 VAL HG11 H 1 0.697 0.030 . 1 . . . . 9 VAL HG1 . 11199 1 46 . 1 1 9 9 VAL HG12 H 1 0.697 0.030 . 1 . . . . 9 VAL HG1 . 11199 1 47 . 1 1 9 9 VAL HG13 H 1 0.697 0.030 . 1 . . . . 9 VAL HG1 . 11199 1 48 . 1 1 9 9 VAL HG21 H 1 0.639 0.030 . 1 . . . . 9 VAL HG2 . 11199 1 49 . 1 1 9 9 VAL HG22 H 1 0.639 0.030 . 1 . . . . 9 VAL HG2 . 11199 1 50 . 1 1 9 9 VAL HG23 H 1 0.639 0.030 . 1 . . . . 9 VAL HG2 . 11199 1 51 . 1 1 9 9 VAL C C 13 171.944 0.300 . 1 . . . . 9 VAL C . 11199 1 52 . 1 1 9 9 VAL CA C 13 57.874 0.300 . 1 . . . . 9 VAL CA . 11199 1 53 . 1 1 9 9 VAL CB C 13 33.034 0.300 . 1 . . . . 9 VAL CB . 11199 1 54 . 1 1 9 9 VAL CG1 C 13 19.209 0.300 . 2 . . . . 9 VAL CG1 . 11199 1 55 . 1 1 9 9 VAL CG2 C 13 17.767 0.300 . 2 . . . . 9 VAL CG2 . 11199 1 56 . 1 1 9 9 VAL N N 15 119.767 0.300 . 1 . . . . 9 VAL N . 11199 1 57 . 1 1 10 10 SER H H 1 8.452 0.030 . 1 . . . . 10 SER H . 11199 1 58 . 1 1 10 10 SER HA H 1 5.085 0.030 . 1 . . . . 10 SER HA . 11199 1 59 . 1 1 10 10 SER HB2 H 1 3.628 0.030 . 2 . . . . 10 SER HB2 . 11199 1 60 . 1 1 10 10 SER HB3 H 1 3.473 0.030 . 2 . . . . 10 SER HB3 . 11199 1 61 . 1 1 10 10 SER C C 13 171.119 0.300 . 1 . . . . 10 SER C . 11199 1 62 . 1 1 10 10 SER CA C 13 54.255 0.300 . 1 . . . . 10 SER CA . 11199 1 63 . 1 1 10 10 SER CB C 13 62.025 0.300 . 1 . . . . 10 SER CB . 11199 1 64 . 1 1 10 10 SER N N 15 119.797 0.300 . 1 . . . . 10 SER N . 11199 1 65 . 1 1 11 11 LEU H H 1 8.986 0.030 . 1 . . . . 11 LEU H . 11199 1 66 . 1 1 11 11 LEU HA H 1 4.598 0.030 . 1 . . . . 11 LEU HA . 11199 1 67 . 1 1 11 11 LEU HB2 H 1 1.791 0.030 . 2 . . . . 11 LEU HB2 . 11199 1 68 . 1 1 11 11 LEU HB3 H 1 1.398 0.030 . 2 . . . . 11 LEU HB3 . 11199 1 69 . 1 1 11 11 LEU HD11 H 1 0.822 0.030 . 1 . . . . 11 LEU HD1 . 11199 1 70 . 1 1 11 11 LEU HD12 H 1 0.822 0.030 . 1 . . . . 11 LEU HD1 . 11199 1 71 . 1 1 11 11 LEU HD13 H 1 0.822 0.030 . 1 . . . . 11 LEU HD1 . 11199 1 72 . 1 1 11 11 LEU HD21 H 1 0.669 0.030 . 1 . . . . 11 LEU HD2 . 11199 1 73 . 1 1 11 11 LEU HD22 H 1 0.669 0.030 . 1 . . . . 11 LEU HD2 . 11199 1 74 . 1 1 11 11 LEU HD23 H 1 0.669 0.030 . 1 . . . . 11 LEU HD2 . 11199 1 75 . 1 1 11 11 LEU HG H 1 1.532 0.030 . 1 . . . . 11 LEU HG . 11199 1 76 . 1 1 11 11 LEU C C 13 173.639 0.300 . 1 . . . . 11 LEU C . 11199 1 77 . 1 1 11 11 LEU CA C 13 50.958 0.300 . 1 . . . . 11 LEU CA . 11199 1 78 . 1 1 11 11 LEU CB C 13 40.422 0.300 . 1 . . . . 11 LEU CB . 11199 1 79 . 1 1 11 11 LEU CD1 C 13 23.622 0.300 . 2 . . . . 11 LEU CD1 . 11199 1 80 . 1 1 11 11 LEU CD2 C 13 22.361 0.300 . 2 . . . . 11 LEU CD2 . 11199 1 81 . 1 1 11 11 LEU CG C 13 25.288 0.300 . 1 . . . . 11 LEU CG . 11199 1 82 . 1 1 11 11 LEU N N 15 125.788 0.300 . 1 . . . . 11 LEU N . 11199 1 83 . 1 1 12 12 VAL H H 1 8.670 0.030 . 1 . . . . 12 VAL H . 11199 1 84 . 1 1 12 12 VAL HA H 1 4.061 0.030 . 1 . . . . 12 VAL HA . 11199 1 85 . 1 1 12 12 VAL HB H 1 2.010 0.030 . 1 . . . . 12 VAL HB . 11199 1 86 . 1 1 12 12 VAL HG11 H 1 1.114 0.030 . 1 . . . . 12 VAL HG1 . 11199 1 87 . 1 1 12 12 VAL HG12 H 1 1.114 0.030 . 1 . . . . 12 VAL HG1 . 11199 1 88 . 1 1 12 12 VAL HG13 H 1 1.114 0.030 . 1 . . . . 12 VAL HG1 . 11199 1 89 . 1 1 12 12 VAL HG21 H 1 1.010 0.030 . 1 . . . . 12 VAL HG2 . 11199 1 90 . 1 1 12 12 VAL HG22 H 1 1.010 0.030 . 1 . . . . 12 VAL HG2 . 11199 1 91 . 1 1 12 12 VAL HG23 H 1 1.010 0.030 . 1 . . . . 12 VAL HG2 . 11199 1 92 . 1 1 12 12 VAL C C 13 174.590 0.300 . 1 . . . . 12 VAL C . 11199 1 93 . 1 1 12 12 VAL CA C 13 60.851 0.300 . 1 . . . . 12 VAL CA . 11199 1 94 . 1 1 12 12 VAL CB C 13 30.053 0.300 . 1 . . . . 12 VAL CB . 11199 1 95 . 1 1 12 12 VAL CG1 C 13 18.723 0.300 . 2 . . . . 12 VAL CG1 . 11199 1 96 . 1 1 12 12 VAL CG2 C 13 19.235 0.300 . 2 . . . . 12 VAL CG2 . 11199 1 97 . 1 1 12 12 VAL N N 15 124.718 0.300 . 1 . . . . 12 VAL N . 11199 1 98 . 1 1 13 13 GLY H H 1 8.275 0.030 . 1 . . . . 13 GLY H . 11199 1 99 . 1 1 13 13 GLY HA2 H 1 3.772 0.030 . 1 . . . . 13 GLY HA2 . 11199 1 100 . 1 1 13 13 GLY HA3 H 1 3.772 0.030 . 1 . . . . 13 GLY HA3 . 11199 1 101 . 1 1 13 13 GLY C C 13 169.261 0.300 . 1 . . . . 13 GLY C . 11199 1 102 . 1 1 13 13 GLY CA C 13 43.292 0.300 . 1 . . . . 13 GLY CA . 11199 1 103 . 1 1 13 13 GLY N N 15 113.729 0.300 . 1 . . . . 13 GLY N . 11199 1 104 . 1 1 14 14 PRO HA H 1 4.391 0.030 . 1 . . . . 14 PRO HA . 11199 1 105 . 1 1 14 14 PRO HB2 H 1 2.173 0.030 . 1 . . . . 14 PRO HB2 . 11199 1 106 . 1 1 14 14 PRO HB3 H 1 2.173 0.030 . 1 . . . . 14 PRO HB3 . 11199 1 107 . 1 1 14 14 PRO HD2 H 1 3.383 0.030 . 2 . . . . 14 PRO HD2 . 11199 1 108 . 1 1 14 14 PRO HD3 H 1 3.341 0.030 . 2 . . . . 14 PRO HD3 . 11199 1 109 . 1 1 14 14 PRO HG2 H 1 1.799 0.030 . 2 . . . . 14 PRO HG2 . 11199 1 110 . 1 1 14 14 PRO HG3 H 1 1.605 0.030 . 2 . . . . 14 PRO HG3 . 11199 1 111 . 1 1 14 14 PRO C C 13 172.679 0.300 . 1 . . . . 14 PRO C . 11199 1 112 . 1 1 14 14 PRO CA C 13 59.722 0.300 . 1 . . . . 14 PRO CA . 11199 1 113 . 1 1 14 14 PRO CB C 13 33.077 0.300 . 1 . . . . 14 PRO CB . 11199 1 114 . 1 1 14 14 PRO CD C 13 47.542 0.300 . 1 . . . . 14 PRO CD . 11199 1 115 . 1 1 14 14 PRO CG C 13 22.163 0.300 . 1 . . . . 14 PRO CG . 11199 1 116 . 1 1 15 15 ALA H H 1 7.613 0.030 . 1 . . . . 15 ALA H . 11199 1 117 . 1 1 15 15 ALA HA H 1 2.263 0.030 . 1 . . . . 15 ALA HA . 11199 1 118 . 1 1 15 15 ALA HB1 H 1 0.658 0.030 . 1 . . . . 15 ALA HB . 11199 1 119 . 1 1 15 15 ALA HB2 H 1 0.658 0.030 . 1 . . . . 15 ALA HB . 11199 1 120 . 1 1 15 15 ALA HB3 H 1 0.658 0.030 . 1 . . . . 15 ALA HB . 11199 1 121 . 1 1 15 15 ALA C C 13 172.502 0.300 . 1 . . . . 15 ALA C . 11199 1 122 . 1 1 15 15 ALA CA C 13 48.527 0.300 . 1 . . . . 15 ALA CA . 11199 1 123 . 1 1 15 15 ALA CB C 13 13.394 0.300 . 1 . . . . 15 ALA CB . 11199 1 124 . 1 1 15 15 ALA N N 15 122.046 0.300 . 1 . . . . 15 ALA N . 11199 1 125 . 1 1 16 16 PRO HA H 1 4.187 0.030 . 1 . . . . 16 PRO HA . 11199 1 126 . 1 1 16 16 PRO HB2 H 1 2.391 0.030 . 2 . . . . 16 PRO HB2 . 11199 1 127 . 1 1 16 16 PRO HB3 H 1 2.065 0.030 . 2 . . . . 16 PRO HB3 . 11199 1 128 . 1 1 16 16 PRO HD2 H 1 3.361 0.030 . 1 . . . . 16 PRO HD2 . 11199 1 129 . 1 1 16 16 PRO HD3 H 1 3.361 0.030 . 1 . . . . 16 PRO HD3 . 11199 1 130 . 1 1 16 16 PRO HG2 H 1 1.788 0.030 . 2 . . . . 16 PRO HG2 . 11199 1 131 . 1 1 16 16 PRO HG3 H 1 1.726 0.030 . 2 . . . . 16 PRO HG3 . 11199 1 132 . 1 1 16 16 PRO C C 13 175.261 0.300 . 1 . . . . 16 PRO C . 11199 1 133 . 1 1 16 16 PRO CA C 13 59.189 0.300 . 1 . . . . 16 PRO CA . 11199 1 134 . 1 1 16 16 PRO CB C 13 33.883 0.300 . 1 . . . . 16 PRO CB . 11199 1 135 . 1 1 16 16 PRO CD C 13 49.342 0.300 . 1 . . . . 16 PRO CD . 11199 1 136 . 1 1 16 16 PRO CG C 13 22.354 0.300 . 1 . . . . 16 PRO CG . 11199 1 137 . 1 1 17 17 TRP H H 1 8.529 0.030 . 1 . . . . 17 TRP H . 11199 1 138 . 1 1 17 17 TRP HA H 1 4.802 0.030 . 1 . . . . 17 TRP HA . 11199 1 139 . 1 1 17 17 TRP HB2 H 1 3.520 0.030 . 2 . . . . 17 TRP HB2 . 11199 1 140 . 1 1 17 17 TRP HB3 H 1 2.892 0.030 . 2 . . . . 17 TRP HB3 . 11199 1 141 . 1 1 17 17 TRP HD1 H 1 7.010 0.030 . 1 . . . . 17 TRP HD1 . 11199 1 142 . 1 1 17 17 TRP HE1 H 1 10.108 0.030 . 1 . . . . 17 TRP HE1 . 11199 1 143 . 1 1 17 17 TRP HE3 H 1 7.194 0.030 . 1 . . . . 17 TRP HE3 . 11199 1 144 . 1 1 17 17 TRP HH2 H 1 6.756 0.030 . 1 . . . . 17 TRP HH2 . 11199 1 145 . 1 1 17 17 TRP HZ2 H 1 7.280 0.030 . 1 . . . . 17 TRP HZ2 . 11199 1 146 . 1 1 17 17 TRP HZ3 H 1 6.482 0.030 . 1 . . . . 17 TRP HZ3 . 11199 1 147 . 1 1 17 17 TRP C C 13 174.445 0.300 . 1 . . . . 17 TRP C . 11199 1 148 . 1 1 17 17 TRP CA C 13 54.691 0.300 . 1 . . . . 17 TRP CA . 11199 1 149 . 1 1 17 17 TRP CB C 13 30.608 0.300 . 1 . . . . 17 TRP CB . 11199 1 150 . 1 1 17 17 TRP CD1 C 13 125.707 0.300 . 1 . . . . 17 TRP CD1 . 11199 1 151 . 1 1 17 17 TRP CE3 C 13 117.746 0.300 . 1 . . . . 17 TRP CE3 . 11199 1 152 . 1 1 17 17 TRP CH2 C 13 122.335 0.300 . 1 . . . . 17 TRP CH2 . 11199 1 153 . 1 1 17 17 TRP CZ2 C 13 112.846 0.300 . 1 . . . . 17 TRP CZ2 . 11199 1 154 . 1 1 17 17 TRP CZ3 C 13 119.705 0.300 . 1 . . . . 17 TRP CZ3 . 11199 1 155 . 1 1 17 17 TRP N N 15 122.496 0.300 . 1 . . . . 17 TRP N . 11199 1 156 . 1 1 17 17 TRP NE1 N 15 128.792 0.300 . 1 . . . . 17 TRP NE1 . 11199 1 157 . 1 1 18 18 GLY H H 1 8.223 0.030 . 1 . . . . 18 GLY H . 11199 1 158 . 1 1 18 18 GLY HA2 H 1 4.317 0.030 . 2 . . . . 18 GLY HA2 . 11199 1 159 . 1 1 18 18 GLY HA3 H 1 3.963 0.030 . 2 . . . . 18 GLY HA3 . 11199 1 160 . 1 1 18 18 GLY C C 13 173.467 0.300 . 1 . . . . 18 GLY C . 11199 1 161 . 1 1 18 18 GLY CA C 13 44.548 0.300 . 1 . . . . 18 GLY CA . 11199 1 162 . 1 1 18 18 GLY N N 15 103.956 0.300 . 1 . . . . 18 GLY N . 11199 1 163 . 1 1 19 19 PHE H H 1 7.377 0.030 . 1 . . . . 19 PHE H . 11199 1 164 . 1 1 19 19 PHE HA H 1 5.498 0.030 . 1 . . . . 19 PHE HA . 11199 1 165 . 1 1 19 19 PHE HB2 H 1 3.205 0.030 . 2 . . . . 19 PHE HB2 . 11199 1 166 . 1 1 19 19 PHE HB3 H 1 2.841 0.030 . 2 . . . . 19 PHE HB3 . 11199 1 167 . 1 1 19 19 PHE HD1 H 1 6.803 0.030 . 3 . . . . 19 PHE HD1 . 11199 1 168 . 1 1 19 19 PHE HD2 H 1 6.803 0.030 . 3 . . . . 19 PHE HD2 . 11199 1 169 . 1 1 19 19 PHE HE1 H 1 6.831 0.030 . 3 . . . . 19 PHE HE1 . 11199 1 170 . 1 1 19 19 PHE HE2 H 1 6.831 0.030 . 3 . . . . 19 PHE HE2 . 11199 1 171 . 1 1 19 19 PHE HZ H 1 6.966 0.030 . 1 . . . . 19 PHE HZ . 11199 1 172 . 1 1 19 19 PHE C C 13 170.234 0.300 . 1 . . . . 19 PHE C . 11199 1 173 . 1 1 19 19 PHE CA C 13 54.017 0.300 . 1 . . . . 19 PHE CA . 11199 1 174 . 1 1 19 19 PHE CB C 13 39.773 0.300 . 1 . . . . 19 PHE CB . 11199 1 175 . 1 1 19 19 PHE CD1 C 13 129.568 0.300 . 1 . . . . 19 PHE CD1 . 11199 1 176 . 1 1 19 19 PHE CD2 C 13 129.568 0.300 . 1 . . . . 19 PHE CD2 . 11199 1 177 . 1 1 19 19 PHE CE1 C 13 128.001 0.300 . 3 . . . . 19 PHE CE1 . 11199 1 178 . 1 1 19 19 PHE CE2 C 13 128.001 0.300 . 3 . . . . 19 PHE CE2 . 11199 1 179 . 1 1 19 19 PHE CZ C 13 127.450 0.300 . 1 . . . . 19 PHE CZ . 11199 1 180 . 1 1 19 19 PHE N N 15 116.279 0.300 . 1 . . . . 19 PHE N . 11199 1 181 . 1 1 20 20 ARG H H 1 7.961 0.030 . 1 . . . . 20 ARG H . 11199 1 182 . 1 1 20 20 ARG HA H 1 4.606 0.030 . 1 . . . . 20 ARG HA . 11199 1 183 . 1 1 20 20 ARG HB2 H 1 1.842 0.030 . 2 . . . . 20 ARG HB2 . 11199 1 184 . 1 1 20 20 ARG HB3 H 1 1.635 0.030 . 2 . . . . 20 ARG HB3 . 11199 1 185 . 1 1 20 20 ARG HD2 H 1 3.118 0.030 . 1 . . . . 20 ARG HD2 . 11199 1 186 . 1 1 20 20 ARG HD3 H 1 3.118 0.030 . 1 . . . . 20 ARG HD3 . 11199 1 187 . 1 1 20 20 ARG HG2 H 1 1.536 0.030 . 1 . . . . 20 ARG HG2 . 11199 1 188 . 1 1 20 20 ARG HG3 H 1 1.536 0.030 . 1 . . . . 20 ARG HG3 . 11199 1 189 . 1 1 20 20 ARG C C 13 172.777 0.300 . 1 . . . . 20 ARG C . 11199 1 190 . 1 1 20 20 ARG CA C 13 52.052 0.300 . 1 . . . . 20 ARG CA . 11199 1 191 . 1 1 20 20 ARG CB C 13 31.821 0.300 . 1 . . . . 20 ARG CB . 11199 1 192 . 1 1 20 20 ARG CD C 13 40.992 0.300 . 1 . . . . 20 ARG CD . 11199 1 193 . 1 1 20 20 ARG CG C 13 25.140 0.300 . 1 . . . . 20 ARG CG . 11199 1 194 . 1 1 20 20 ARG N N 15 117.820 0.300 . 1 . . . . 20 ARG N . 11199 1 195 . 1 1 21 21 LEU H H 1 8.724 0.030 . 1 . . . . 21 LEU H . 11199 1 196 . 1 1 21 21 LEU HA H 1 5.431 0.030 . 1 . . . . 21 LEU HA . 11199 1 197 . 1 1 21 21 LEU HB2 H 1 1.577 0.030 . 2 . . . . 21 LEU HB2 . 11199 1 198 . 1 1 21 21 LEU HB3 H 1 1.310 0.030 . 2 . . . . 21 LEU HB3 . 11199 1 199 . 1 1 21 21 LEU HD11 H 1 0.731 0.030 . 1 . . . . 21 LEU HD1 . 11199 1 200 . 1 1 21 21 LEU HD12 H 1 0.731 0.030 . 1 . . . . 21 LEU HD1 . 11199 1 201 . 1 1 21 21 LEU HD13 H 1 0.731 0.030 . 1 . . . . 21 LEU HD1 . 11199 1 202 . 1 1 21 21 LEU HD21 H 1 0.781 0.030 . 1 . . . . 21 LEU HD2 . 11199 1 203 . 1 1 21 21 LEU HD22 H 1 0.781 0.030 . 1 . . . . 21 LEU HD2 . 11199 1 204 . 1 1 21 21 LEU HD23 H 1 0.781 0.030 . 1 . . . . 21 LEU HD2 . 11199 1 205 . 1 1 21 21 LEU HG H 1 1.648 0.030 . 1 . . . . 21 LEU HG . 11199 1 206 . 1 1 21 21 LEU C C 13 174.858 0.300 . 1 . . . . 21 LEU C . 11199 1 207 . 1 1 21 21 LEU CA C 13 51.129 0.300 . 1 . . . . 21 LEU CA . 11199 1 208 . 1 1 21 21 LEU CB C 13 44.008 0.300 . 1 . . . . 21 LEU CB . 11199 1 209 . 1 1 21 21 LEU CD1 C 13 23.523 0.300 . 2 . . . . 21 LEU CD1 . 11199 1 210 . 1 1 21 21 LEU CD2 C 13 23.079 0.300 . 2 . . . . 21 LEU CD2 . 11199 1 211 . 1 1 21 21 LEU CG C 13 24.296 0.300 . 1 . . . . 21 LEU CG . 11199 1 212 . 1 1 21 21 LEU N N 15 120.432 0.300 . 1 . . . . 21 LEU N . 11199 1 213 . 1 1 22 22 GLN H H 1 9.076 0.030 . 1 . . . . 22 GLN H . 11199 1 214 . 1 1 22 22 GLN HA H 1 4.582 0.030 . 1 . . . . 22 GLN HA . 11199 1 215 . 1 1 22 22 GLN HB2 H 1 1.837 0.030 . 1 . . . . 22 GLN HB2 . 11199 1 216 . 1 1 22 22 GLN HB3 H 1 1.837 0.030 . 1 . . . . 22 GLN HB3 . 11199 1 217 . 1 1 22 22 GLN HE21 H 1 7.122 0.030 . 2 . . . . 22 GLN HE21 . 11199 1 218 . 1 1 22 22 GLN HE22 H 1 6.723 0.030 . 2 . . . . 22 GLN HE22 . 11199 1 219 . 1 1 22 22 GLN HG2 H 1 2.190 0.030 . 1 . . . . 22 GLN HG2 . 11199 1 220 . 1 1 22 22 GLN HG3 H 1 2.190 0.030 . 1 . . . . 22 GLN HG3 . 11199 1 221 . 1 1 22 22 GLN C C 13 171.778 0.300 . 1 . . . . 22 GLN C . 11199 1 222 . 1 1 22 22 GLN CA C 13 51.715 0.300 . 1 . . . . 22 GLN CA . 11199 1 223 . 1 1 22 22 GLN CB C 13 30.236 0.300 . 1 . . . . 22 GLN CB . 11199 1 224 . 1 1 22 22 GLN CG C 13 30.986 0.300 . 1 . . . . 22 GLN CG . 11199 1 225 . 1 1 22 22 GLN N N 15 119.068 0.300 . 1 . . . . 22 GLN N . 11199 1 226 . 1 1 22 22 GLN NE2 N 15 111.111 0.300 . 1 . . . . 22 GLN NE2 . 11199 1 227 . 1 1 23 23 GLY H H 1 8.320 0.030 . 1 . . . . 23 GLY H . 11199 1 228 . 1 1 23 23 GLY HA2 H 1 4.638 0.030 . 2 . . . . 23 GLY HA2 . 11199 1 229 . 1 1 23 23 GLY HA3 H 1 3.280 0.030 . 2 . . . . 23 GLY HA3 . 11199 1 230 . 1 1 23 23 GLY C C 13 170.354 0.300 . 1 . . . . 23 GLY C . 11199 1 231 . 1 1 23 23 GLY CA C 13 42.549 0.300 . 1 . . . . 23 GLY CA . 11199 1 232 . 1 1 23 23 GLY N N 15 106.908 0.300 . 1 . . . . 23 GLY N . 11199 1 233 . 1 1 24 24 GLY H H 1 7.449 0.030 . 1 . . . . 24 GLY H . 11199 1 234 . 1 1 24 24 GLY HA2 H 1 4.917 0.030 . 2 . . . . 24 GLY HA2 . 11199 1 235 . 1 1 24 24 GLY HA3 H 1 3.887 0.030 . 2 . . . . 24 GLY HA3 . 11199 1 236 . 1 1 24 24 GLY C C 13 173.918 0.300 . 1 . . . . 24 GLY C . 11199 1 237 . 1 1 24 24 GLY CA C 13 41.035 0.300 . 1 . . . . 24 GLY CA . 11199 1 238 . 1 1 24 24 GLY N N 15 103.937 0.300 . 1 . . . . 24 GLY N . 11199 1 239 . 1 1 25 25 LYS H H 1 8.691 0.030 . 1 . . . . 25 LYS H . 11199 1 240 . 1 1 25 25 LYS HA H 1 4.103 0.030 . 1 . . . . 25 LYS HA . 11199 1 241 . 1 1 25 25 LYS HB2 H 1 1.657 0.030 . 2 . . . . 25 LYS HB2 . 11199 1 242 . 1 1 25 25 LYS HB3 H 1 1.356 0.030 . 2 . . . . 25 LYS HB3 . 11199 1 243 . 1 1 25 25 LYS HD2 H 1 1.714 0.030 . 2 . . . . 25 LYS HD2 . 11199 1 244 . 1 1 25 25 LYS HD3 H 1 1.534 0.030 . 2 . . . . 25 LYS HD3 . 11199 1 245 . 1 1 25 25 LYS HE2 H 1 2.911 0.030 . 1 . . . . 25 LYS HE2 . 11199 1 246 . 1 1 25 25 LYS HE3 H 1 2.911 0.030 . 1 . . . . 25 LYS HE3 . 11199 1 247 . 1 1 25 25 LYS HG2 H 1 1.420 0.030 . 2 . . . . 25 LYS HG2 . 11199 1 248 . 1 1 25 25 LYS HG3 H 1 1.289 0.030 . 2 . . . . 25 LYS HG3 . 11199 1 249 . 1 1 25 25 LYS C C 13 176.268 0.300 . 1 . . . . 25 LYS C . 11199 1 250 . 1 1 25 25 LYS CA C 13 57.566 0.300 . 1 . . . . 25 LYS CA . 11199 1 251 . 1 1 25 25 LYS CB C 13 30.817 0.300 . 1 . . . . 25 LYS CB . 11199 1 252 . 1 1 25 25 LYS CD C 13 27.060 0.300 . 1 . . . . 25 LYS CD . 11199 1 253 . 1 1 25 25 LYS CE C 13 39.888 0.300 . 1 . . . . 25 LYS CE . 11199 1 254 . 1 1 25 25 LYS CG C 13 21.957 0.300 . 1 . . . . 25 LYS CG . 11199 1 255 . 1 1 25 25 LYS N N 15 122.264 0.300 . 1 . . . . 25 LYS N . 11199 1 256 . 1 1 26 26 ASP H H 1 10.743 0.030 . 1 . . . . 26 ASP H . 11199 1 257 . 1 1 26 26 ASP HA H 1 4.219 0.030 . 1 . . . . 26 ASP HA . 11199 1 258 . 1 1 26 26 ASP HB2 H 1 2.618 0.030 . 2 . . . . 26 ASP HB2 . 11199 1 259 . 1 1 26 26 ASP HB3 H 1 2.376 0.030 . 2 . . . . 26 ASP HB3 . 11199 1 260 . 1 1 26 26 ASP C C 13 173.725 0.300 . 1 . . . . 26 ASP C . 11199 1 261 . 1 1 26 26 ASP CA C 13 51.978 0.300 . 1 . . . . 26 ASP CA . 11199 1 262 . 1 1 26 26 ASP CB C 13 34.469 0.300 . 1 . . . . 26 ASP CB . 11199 1 263 . 1 1 26 26 ASP N N 15 113.233 0.300 . 1 . . . . 26 ASP N . 11199 1 264 . 1 1 27 27 PHE H H 1 7.857 0.030 . 1 . . . . 27 PHE H . 11199 1 265 . 1 1 27 27 PHE HA H 1 4.477 0.030 . 1 . . . . 27 PHE HA . 11199 1 266 . 1 1 27 27 PHE HB2 H 1 3.422 0.030 . 2 . . . . 27 PHE HB2 . 11199 1 267 . 1 1 27 27 PHE HB3 H 1 2.563 0.030 . 2 . . . . 27 PHE HB3 . 11199 1 268 . 1 1 27 27 PHE HD1 H 1 7.095 0.030 . 3 . . . . 27 PHE HD1 . 11199 1 269 . 1 1 27 27 PHE HD2 H 1 7.095 0.030 . 3 . . . . 27 PHE HD2 . 11199 1 270 . 1 1 27 27 PHE HE1 H 1 7.168 0.030 . 3 . . . . 27 PHE HE1 . 11199 1 271 . 1 1 27 27 PHE HE2 H 1 7.168 0.030 . 3 . . . . 27 PHE HE2 . 11199 1 272 . 1 1 27 27 PHE HZ H 1 7.104 0.030 . 1 . . . . 27 PHE HZ . 11199 1 273 . 1 1 27 27 PHE C C 13 172.365 0.300 . 1 . . . . 27 PHE C . 11199 1 274 . 1 1 27 27 PHE CA C 13 55.438 0.300 . 1 . . . . 27 PHE CA . 11199 1 275 . 1 1 27 27 PHE CB C 13 38.448 0.300 . 1 . . . . 27 PHE CB . 11199 1 276 . 1 1 27 27 PHE CD1 C 13 129.379 0.300 . 3 . . . . 27 PHE CD1 . 11199 1 277 . 1 1 27 27 PHE CD2 C 13 129.379 0.300 . 3 . . . . 27 PHE CD2 . 11199 1 278 . 1 1 27 27 PHE CE1 C 13 129.379 0.300 . 3 . . . . 27 PHE CE1 . 11199 1 279 . 1 1 27 27 PHE CE2 C 13 129.379 0.300 . 3 . . . . 27 PHE CE2 . 11199 1 280 . 1 1 27 27 PHE CZ C 13 127.603 0.300 . 1 . . . . 27 PHE CZ . 11199 1 281 . 1 1 27 27 PHE N N 15 117.324 0.300 . 1 . . . . 27 PHE N . 11199 1 282 . 1 1 28 28 ASN H H 1 8.034 0.030 . 1 . . . . 28 ASN H . 11199 1 283 . 1 1 28 28 ASN HA H 1 4.381 0.030 . 1 . . . . 28 ASN HA . 11199 1 284 . 1 1 28 28 ASN HB2 H 1 3.084 0.030 . 2 . . . . 28 ASN HB2 . 11199 1 285 . 1 1 28 28 ASN HB3 H 1 2.718 0.030 . 2 . . . . 28 ASN HB3 . 11199 1 286 . 1 1 28 28 ASN HD21 H 1 7.514 0.030 . 2 . . . . 28 ASN HD21 . 11199 1 287 . 1 1 28 28 ASN HD22 H 1 6.763 0.030 . 2 . . . . 28 ASN HD22 . 11199 1 288 . 1 1 28 28 ASN C C 13 171.253 0.300 . 1 . . . . 28 ASN C . 11199 1 289 . 1 1 28 28 ASN CA C 13 52.023 0.300 . 1 . . . . 28 ASN CA . 11199 1 290 . 1 1 28 28 ASN CB C 13 35.311 0.300 . 1 . . . . 28 ASN CB . 11199 1 291 . 1 1 28 28 ASN N N 15 115.926 0.300 . 1 . . . . 28 ASN N . 11199 1 292 . 1 1 28 28 ASN ND2 N 15 112.353 0.300 . 1 . . . . 28 ASN ND2 . 11199 1 293 . 1 1 29 29 MET H H 1 7.369 0.030 . 1 . . . . 29 MET H . 11199 1 294 . 1 1 29 29 MET HA H 1 5.012 0.030 . 1 . . . . 29 MET HA . 11199 1 295 . 1 1 29 29 MET HB2 H 1 2.121 0.030 . 2 . . . . 29 MET HB2 . 11199 1 296 . 1 1 29 29 MET HB3 H 1 1.793 0.030 . 2 . . . . 29 MET HB3 . 11199 1 297 . 1 1 29 29 MET HE1 H 1 2.063 0.030 . 1 . . . . 29 MET HE . 11199 1 298 . 1 1 29 29 MET HE2 H 1 2.063 0.030 . 1 . . . . 29 MET HE . 11199 1 299 . 1 1 29 29 MET HE3 H 1 2.063 0.030 . 1 . . . . 29 MET HE . 11199 1 300 . 1 1 29 29 MET HG2 H 1 2.631 0.030 . 1 . . . . 29 MET HG2 . 11199 1 301 . 1 1 29 29 MET HG3 H 1 2.631 0.030 . 1 . . . . 29 MET HG3 . 11199 1 302 . 1 1 29 29 MET C C 13 171.259 0.300 . 1 . . . . 29 MET C . 11199 1 303 . 1 1 29 29 MET CA C 13 50.999 0.300 . 1 . . . . 29 MET CA . 11199 1 304 . 1 1 29 29 MET CB C 13 34.195 0.300 . 1 . . . . 29 MET CB . 11199 1 305 . 1 1 29 29 MET CE C 13 14.609 0.300 . 1 . . . . 29 MET CE . 11199 1 306 . 1 1 29 29 MET CG C 13 29.035 0.300 . 1 . . . . 29 MET CG . 11199 1 307 . 1 1 29 29 MET N N 15 114.006 0.300 . 1 . . . . 29 MET N . 11199 1 308 . 1 1 30 30 PRO HA H 1 4.437 0.030 . 1 . . . . 30 PRO HA . 11199 1 309 . 1 1 30 30 PRO HB2 H 1 2.294 0.030 . 2 . . . . 30 PRO HB2 . 11199 1 310 . 1 1 30 30 PRO HB3 H 1 1.716 0.030 . 2 . . . . 30 PRO HB3 . 11199 1 311 . 1 1 30 30 PRO HD2 H 1 3.771 0.030 . 2 . . . . 30 PRO HD2 . 11199 1 312 . 1 1 30 30 PRO HD3 H 1 3.595 0.030 . 2 . . . . 30 PRO HD3 . 11199 1 313 . 1 1 30 30 PRO HG2 H 1 1.920 0.030 . 1 . . . . 30 PRO HG2 . 11199 1 314 . 1 1 30 30 PRO HG3 H 1 1.920 0.030 . 1 . . . . 30 PRO HG3 . 11199 1 315 . 1 1 30 30 PRO C C 13 173.811 0.300 . 1 . . . . 30 PRO C . 11199 1 316 . 1 1 30 30 PRO CA C 13 60.325 0.300 . 1 . . . . 30 PRO CA . 11199 1 317 . 1 1 30 30 PRO CB C 13 30.157 0.300 . 1 . . . . 30 PRO CB . 11199 1 318 . 1 1 30 30 PRO CD C 13 48.427 0.300 . 1 . . . . 30 PRO CD . 11199 1 319 . 1 1 30 30 PRO CG C 13 24.837 0.300 . 1 . . . . 30 PRO CG . 11199 1 320 . 1 1 31 31 LEU H H 1 8.553 0.030 . 1 . . . . 31 LEU H . 11199 1 321 . 1 1 31 31 LEU HA H 1 4.817 0.030 . 1 . . . . 31 LEU HA . 11199 1 322 . 1 1 31 31 LEU HB2 H 1 1.774 0.030 . 2 . . . . 31 LEU HB2 . 11199 1 323 . 1 1 31 31 LEU HB3 H 1 1.330 0.030 . 2 . . . . 31 LEU HB3 . 11199 1 324 . 1 1 31 31 LEU HD11 H 1 0.805 0.030 . 1 . . . . 31 LEU HD1 . 11199 1 325 . 1 1 31 31 LEU HD12 H 1 0.805 0.030 . 1 . . . . 31 LEU HD1 . 11199 1 326 . 1 1 31 31 LEU HD13 H 1 0.805 0.030 . 1 . . . . 31 LEU HD1 . 11199 1 327 . 1 1 31 31 LEU HD21 H 1 0.650 0.030 . 1 . . . . 31 LEU HD2 . 11199 1 328 . 1 1 31 31 LEU HD22 H 1 0.650 0.030 . 1 . . . . 31 LEU HD2 . 11199 1 329 . 1 1 31 31 LEU HD23 H 1 0.650 0.030 . 1 . . . . 31 LEU HD2 . 11199 1 330 . 1 1 31 31 LEU HG H 1 1.581 0.030 . 1 . . . . 31 LEU HG . 11199 1 331 . 1 1 31 31 LEU C C 13 173.874 0.300 . 1 . . . . 31 LEU C . 11199 1 332 . 1 1 31 31 LEU CA C 13 52.712 0.300 . 1 . . . . 31 LEU CA . 11199 1 333 . 1 1 31 31 LEU CB C 13 40.502 0.300 . 1 . . . . 31 LEU CB . 11199 1 334 . 1 1 31 31 LEU CD1 C 13 24.473 0.300 . 2 . . . . 31 LEU CD1 . 11199 1 335 . 1 1 31 31 LEU CD2 C 13 22.560 0.300 . 2 . . . . 31 LEU CD2 . 11199 1 336 . 1 1 31 31 LEU CG C 13 24.684 0.300 . 1 . . . . 31 LEU CG . 11199 1 337 . 1 1 31 31 LEU N N 15 124.401 0.300 . 1 . . . . 31 LEU N . 11199 1 338 . 1 1 32 32 THR H H 1 8.922 0.030 . 1 . . . . 32 THR H . 11199 1 339 . 1 1 32 32 THR HA H 1 5.277 0.030 . 1 . . . . 32 THR HA . 11199 1 340 . 1 1 32 32 THR HB H 1 3.635 0.030 . 1 . . . . 32 THR HB . 11199 1 341 . 1 1 32 32 THR HG21 H 1 0.982 0.030 . 1 . . . . 32 THR HG2 . 11199 1 342 . 1 1 32 32 THR HG22 H 1 0.982 0.030 . 1 . . . . 32 THR HG2 . 11199 1 343 . 1 1 32 32 THR HG23 H 1 0.982 0.030 . 1 . . . . 32 THR HG2 . 11199 1 344 . 1 1 32 32 THR C C 13 172.046 0.300 . 1 . . . . 32 THR C . 11199 1 345 . 1 1 32 32 THR CA C 13 57.508 0.300 . 1 . . . . 32 THR CA . 11199 1 346 . 1 1 32 32 THR CB C 13 70.862 0.300 . 1 . . . . 32 THR CB . 11199 1 347 . 1 1 32 32 THR CG2 C 13 19.363 0.300 . 1 . . . . 32 THR CG2 . 11199 1 348 . 1 1 32 32 THR N N 15 116.418 0.300 . 1 . . . . 32 THR N . 11199 1 349 . 1 1 33 33 ILE H H 1 8.592 0.030 . 1 . . . . 33 ILE H . 11199 1 350 . 1 1 33 33 ILE HA H 1 4.309 0.030 . 1 . . . . 33 ILE HA . 11199 1 351 . 1 1 33 33 ILE HB H 1 2.319 0.030 . 1 . . . . 33 ILE HB . 11199 1 352 . 1 1 33 33 ILE HD11 H 1 0.135 0.030 . 1 . . . . 33 ILE HD1 . 11199 1 353 . 1 1 33 33 ILE HD12 H 1 0.135 0.030 . 1 . . . . 33 ILE HD1 . 11199 1 354 . 1 1 33 33 ILE HD13 H 1 0.135 0.030 . 1 . . . . 33 ILE HD1 . 11199 1 355 . 1 1 33 33 ILE HG12 H 1 1.419 0.030 . 2 . . . . 33 ILE HG12 . 11199 1 356 . 1 1 33 33 ILE HG13 H 1 1.115 0.030 . 2 . . . . 33 ILE HG13 . 11199 1 357 . 1 1 33 33 ILE HG21 H 1 0.743 0.030 . 1 . . . . 33 ILE HG2 . 11199 1 358 . 1 1 33 33 ILE HG22 H 1 0.743 0.030 . 1 . . . . 33 ILE HG2 . 11199 1 359 . 1 1 33 33 ILE HG23 H 1 0.743 0.030 . 1 . . . . 33 ILE HG2 . 11199 1 360 . 1 1 33 33 ILE C C 13 174.527 0.300 . 1 . . . . 33 ILE C . 11199 1 361 . 1 1 33 33 ILE CA C 13 57.477 0.300 . 1 . . . . 33 ILE CA . 11199 1 362 . 1 1 33 33 ILE CB C 13 32.803 0.300 . 1 . . . . 33 ILE CB . 11199 1 363 . 1 1 33 33 ILE CD1 C 13 7.298 0.300 . 1 . . . . 33 ILE CD1 . 11199 1 364 . 1 1 33 33 ILE CG1 C 13 23.226 0.300 . 1 . . . . 33 ILE CG1 . 11199 1 365 . 1 1 33 33 ILE CG2 C 13 15.097 0.300 . 1 . . . . 33 ILE CG2 . 11199 1 366 . 1 1 33 33 ILE N N 15 121.796 0.300 . 1 . . . . 33 ILE N . 11199 1 367 . 1 1 34 34 SER H H 1 9.302 0.030 . 1 . . . . 34 SER H . 11199 1 368 . 1 1 34 34 SER HA H 1 4.494 0.030 . 1 . . . . 34 SER HA . 11199 1 369 . 1 1 34 34 SER HB2 H 1 3.796 0.030 . 2 . . . . 34 SER HB2 . 11199 1 370 . 1 1 34 34 SER HB3 H 1 3.343 0.030 . 2 . . . . 34 SER HB3 . 11199 1 371 . 1 1 34 34 SER C C 13 172.231 0.300 . 1 . . . . 34 SER C . 11199 1 372 . 1 1 34 34 SER CA C 13 56.360 0.300 . 1 . . . . 34 SER CA . 11199 1 373 . 1 1 34 34 SER CB C 13 62.724 0.300 . 1 . . . . 34 SER CB . 11199 1 374 . 1 1 34 34 SER N N 15 125.724 0.300 . 1 . . . . 34 SER N . 11199 1 375 . 1 1 35 35 SER H H 1 7.455 0.030 . 1 . . . . 35 SER H . 11199 1 376 . 1 1 35 35 SER HA H 1 4.364 0.030 . 1 . . . . 35 SER HA . 11199 1 377 . 1 1 35 35 SER HB2 H 1 3.705 0.030 . 2 . . . . 35 SER HB2 . 11199 1 378 . 1 1 35 35 SER HB3 H 1 3.587 0.030 . 2 . . . . 35 SER HB3 . 11199 1 379 . 1 1 35 35 SER C C 13 169.441 0.300 . 1 . . . . 35 SER C . 11199 1 380 . 1 1 35 35 SER CA C 13 55.572 0.300 . 1 . . . . 35 SER CA . 11199 1 381 . 1 1 35 35 SER CB C 13 62.242 0.300 . 1 . . . . 35 SER CB . 11199 1 382 . 1 1 35 35 SER N N 15 114.478 0.300 . 1 . . . . 35 SER N . 11199 1 383 . 1 1 36 36 LEU H H 1 8.325 0.030 . 1 . . . . 36 LEU H . 11199 1 384 . 1 1 36 36 LEU HA H 1 4.968 0.030 . 1 . . . . 36 LEU HA . 11199 1 385 . 1 1 36 36 LEU HB2 H 1 1.419 0.030 . 2 . . . . 36 LEU HB2 . 11199 1 386 . 1 1 36 36 LEU HB3 H 1 1.385 0.030 . 2 . . . . 36 LEU HB3 . 11199 1 387 . 1 1 36 36 LEU HD11 H 1 0.749 0.030 . 1 . . . . 36 LEU HD1 . 11199 1 388 . 1 1 36 36 LEU HD12 H 1 0.749 0.030 . 1 . . . . 36 LEU HD1 . 11199 1 389 . 1 1 36 36 LEU HD13 H 1 0.749 0.030 . 1 . . . . 36 LEU HD1 . 11199 1 390 . 1 1 36 36 LEU HD21 H 1 0.789 0.030 . 1 . . . . 36 LEU HD2 . 11199 1 391 . 1 1 36 36 LEU HD22 H 1 0.789 0.030 . 1 . . . . 36 LEU HD2 . 11199 1 392 . 1 1 36 36 LEU HD23 H 1 0.789 0.030 . 1 . . . . 36 LEU HD2 . 11199 1 393 . 1 1 36 36 LEU HG H 1 1.305 0.030 . 1 . . . . 36 LEU HG . 11199 1 394 . 1 1 36 36 LEU C C 13 173.577 0.300 . 1 . . . . 36 LEU C . 11199 1 395 . 1 1 36 36 LEU CA C 13 51.367 0.300 . 1 . . . . 36 LEU CA . 11199 1 396 . 1 1 36 36 LEU CB C 13 44.841 0.300 . 1 . . . . 36 LEU CB . 11199 1 397 . 1 1 36 36 LEU CD1 C 13 24.246 0.300 . 2 . . . . 36 LEU CD1 . 11199 1 398 . 1 1 36 36 LEU CD2 C 13 23.310 0.300 . 2 . . . . 36 LEU CD2 . 11199 1 399 . 1 1 36 36 LEU CG C 13 24.569 0.300 . 1 . . . . 36 LEU CG . 11199 1 400 . 1 1 36 36 LEU N N 15 121.907 0.300 . 1 . . . . 36 LEU N . 11199 1 401 . 1 1 37 37 LYS H H 1 7.599 0.030 . 1 . . . . 37 LYS H . 11199 1 402 . 1 1 37 37 LYS HA H 1 4.342 0.030 . 1 . . . . 37 LYS HA . 11199 1 403 . 1 1 37 37 LYS HB2 H 1 1.739 0.030 . 2 . . . . 37 LYS HB2 . 11199 1 404 . 1 1 37 37 LYS HB3 H 1 1.663 0.030 . 2 . . . . 37 LYS HB3 . 11199 1 405 . 1 1 37 37 LYS HD2 H 1 1.688 0.030 . 2 . . . . 37 LYS HD2 . 11199 1 406 . 1 1 37 37 LYS HD3 H 1 1.596 0.030 . 2 . . . . 37 LYS HD3 . 11199 1 407 . 1 1 37 37 LYS HE2 H 1 2.936 0.030 . 1 . . . . 37 LYS HE2 . 11199 1 408 . 1 1 37 37 LYS HE3 H 1 2.936 0.030 . 1 . . . . 37 LYS HE3 . 11199 1 409 . 1 1 37 37 LYS HG2 H 1 1.361 0.030 . 1 . . . . 37 LYS HG2 . 11199 1 410 . 1 1 37 37 LYS HG3 H 1 1.361 0.030 . 1 . . . . 37 LYS HG3 . 11199 1 411 . 1 1 37 37 LYS C C 13 175.404 0.300 . 1 . . . . 37 LYS C . 11199 1 412 . 1 1 37 37 LYS CA C 13 52.630 0.300 . 1 . . . . 37 LYS CA . 11199 1 413 . 1 1 37 37 LYS CB C 13 31.233 0.300 . 1 . . . . 37 LYS CB . 11199 1 414 . 1 1 37 37 LYS CD C 13 26.545 0.300 . 1 . . . . 37 LYS CD . 11199 1 415 . 1 1 37 37 LYS CE C 13 39.919 0.300 . 1 . . . . 37 LYS CE . 11199 1 416 . 1 1 37 37 LYS CG C 13 21.943 0.300 . 1 . . . . 37 LYS CG . 11199 1 417 . 1 1 37 37 LYS N N 15 123.727 0.300 . 1 . . . . 37 LYS N . 11199 1 418 . 1 1 38 38 ASP H H 1 9.271 0.030 . 1 . . . . 38 ASP H . 11199 1 419 . 1 1 38 38 ASP HA H 1 4.391 0.030 . 1 . . . . 38 ASP HA . 11199 1 420 . 1 1 38 38 ASP HB2 H 1 2.613 0.030 . 1 . . . . 38 ASP HB2 . 11199 1 421 . 1 1 38 38 ASP HB3 H 1 2.613 0.030 . 1 . . . . 38 ASP HB3 . 11199 1 422 . 1 1 38 38 ASP C C 13 175.125 0.300 . 1 . . . . 38 ASP C . 11199 1 423 . 1 1 38 38 ASP CA C 13 54.205 0.300 . 1 . . . . 38 ASP CA . 11199 1 424 . 1 1 38 38 ASP CB C 13 38.047 0.300 . 1 . . . . 38 ASP CB . 11199 1 425 . 1 1 38 38 ASP N N 15 109.310 0.300 . 1 . . . . 38 ASP N . 11199 1 426 . 1 1 39 39 GLY H H 1 8.657 0.030 . 1 . . . . 39 GLY H . 11199 1 427 . 1 1 39 39 GLY HA2 H 1 4.120 0.030 . 2 . . . . 39 GLY HA2 . 11199 1 428 . 1 1 39 39 GLY HA3 H 1 3.748 0.030 . 2 . . . . 39 GLY HA3 . 11199 1 429 . 1 1 39 39 GLY C C 13 172.524 0.300 . 1 . . . . 39 GLY C . 11199 1 430 . 1 1 39 39 GLY CA C 13 43.405 0.300 . 1 . . . . 39 GLY CA . 11199 1 431 . 1 1 39 39 GLY N N 15 113.720 0.300 . 1 . . . . 39 GLY N . 11199 1 432 . 1 1 40 40 GLY H H 1 7.957 0.030 . 1 . . . . 40 GLY H . 11199 1 433 . 1 1 40 40 GLY HA2 H 1 4.230 0.030 . 2 . . . . 40 GLY HA2 . 11199 1 434 . 1 1 40 40 GLY HA3 H 1 3.871 0.030 . 2 . . . . 40 GLY HA3 . 11199 1 435 . 1 1 40 40 GLY C C 13 171.696 0.300 . 1 . . . . 40 GLY C . 11199 1 436 . 1 1 40 40 GLY CA C 13 42.403 0.300 . 1 . . . . 40 GLY CA . 11199 1 437 . 1 1 40 40 GLY N N 15 105.955 0.300 . 1 . . . . 40 GLY N . 11199 1 438 . 1 1 41 41 LYS H H 1 8.879 0.030 . 1 . . . . 41 LYS H . 11199 1 439 . 1 1 41 41 LYS HA H 1 3.919 0.030 . 1 . . . . 41 LYS HA . 11199 1 440 . 1 1 41 41 LYS HB2 H 1 2.162 0.030 . 2 . . . . 41 LYS HB2 . 11199 1 441 . 1 1 41 41 LYS HB3 H 1 1.973 0.030 . 2 . . . . 41 LYS HB3 . 11199 1 442 . 1 1 41 41 LYS HD2 H 1 1.790 0.030 . 2 . . . . 41 LYS HD2 . 11199 1 443 . 1 1 41 41 LYS HD3 H 1 2.004 0.030 . 2 . . . . 41 LYS HD3 . 11199 1 444 . 1 1 41 41 LYS HE2 H 1 3.041 0.030 . 2 . . . . 41 LYS HE2 . 11199 1 445 . 1 1 41 41 LYS HE3 H 1 2.983 0.030 . 2 . . . . 41 LYS HE3 . 11199 1 446 . 1 1 41 41 LYS HG2 H 1 1.534 0.030 . 2 . . . . 41 LYS HG2 . 11199 1 447 . 1 1 41 41 LYS HG3 H 1 1.758 0.030 . 2 . . . . 41 LYS HG3 . 11199 1 448 . 1 1 41 41 LYS C C 13 177.566 0.300 . 1 . . . . 41 LYS C . 11199 1 449 . 1 1 41 41 LYS CA C 13 58.402 0.300 . 1 . . . . 41 LYS CA . 11199 1 450 . 1 1 41 41 LYS CB C 13 30.529 0.300 . 1 . . . . 41 LYS CB . 11199 1 451 . 1 1 41 41 LYS CD C 13 26.765 0.300 . 1 . . . . 41 LYS CD . 11199 1 452 . 1 1 41 41 LYS CE C 13 40.758 0.300 . 1 . . . . 41 LYS CE . 11199 1 453 . 1 1 41 41 LYS CG C 13 24.900 0.300 . 1 . . . . 41 LYS CG . 11199 1 454 . 1 1 41 41 LYS N N 15 117.699 0.300 . 1 . . . . 41 LYS N . 11199 1 455 . 1 1 42 42 ALA H H 1 8.141 0.030 . 1 . . . . 42 ALA H . 11199 1 456 . 1 1 42 42 ALA HA H 1 3.973 0.030 . 1 . . . . 42 ALA HA . 11199 1 457 . 1 1 42 42 ALA HB1 H 1 1.261 0.030 . 1 . . . . 42 ALA HB . 11199 1 458 . 1 1 42 42 ALA HB2 H 1 1.261 0.030 . 1 . . . . 42 ALA HB . 11199 1 459 . 1 1 42 42 ALA HB3 H 1 1.261 0.030 . 1 . . . . 42 ALA HB . 11199 1 460 . 1 1 42 42 ALA C C 13 176.203 0.300 . 1 . . . . 42 ALA C . 11199 1 461 . 1 1 42 42 ALA CA C 13 53.194 0.300 . 1 . . . . 42 ALA CA . 11199 1 462 . 1 1 42 42 ALA CB C 13 15.470 0.300 . 1 . . . . 42 ALA CB . 11199 1 463 . 1 1 42 42 ALA N N 15 120.547 0.300 . 1 . . . . 42 ALA N . 11199 1 464 . 1 1 43 43 SER H H 1 9.050 0.030 . 1 . . . . 43 SER H . 11199 1 465 . 1 1 43 43 SER HA H 1 4.114 0.030 . 1 . . . . 43 SER HA . 11199 1 466 . 1 1 43 43 SER HB2 H 1 4.005 0.030 . 1 . . . . 43 SER HB2 . 11199 1 467 . 1 1 43 43 SER HB3 H 1 4.005 0.030 . 1 . . . . 43 SER HB3 . 11199 1 468 . 1 1 43 43 SER C C 13 177.144 0.300 . 1 . . . . 43 SER C . 11199 1 469 . 1 1 43 43 SER CA C 13 59.194 0.300 . 1 . . . . 43 SER CA . 11199 1 470 . 1 1 43 43 SER CB C 13 60.597 0.300 . 1 . . . . 43 SER CB . 11199 1 471 . 1 1 43 43 SER N N 15 114.926 0.300 . 1 . . . . 43 SER N . 11199 1 472 . 1 1 44 44 GLN H H 1 8.221 0.030 . 1 . . . . 44 GLN H . 11199 1 473 . 1 1 44 44 GLN HA H 1 3.980 0.030 . 1 . . . . 44 GLN HA . 11199 1 474 . 1 1 44 44 GLN HB2 H 1 2.105 0.030 . 2 . . . . 44 GLN HB2 . 11199 1 475 . 1 1 44 44 GLN HB3 H 1 2.048 0.030 . 2 . . . . 44 GLN HB3 . 11199 1 476 . 1 1 44 44 GLN HE21 H 1 7.255 0.030 . 2 . . . . 44 GLN HE21 . 11199 1 477 . 1 1 44 44 GLN HE22 H 1 6.793 0.030 . 2 . . . . 44 GLN HE22 . 11199 1 478 . 1 1 44 44 GLN HG2 H 1 2.430 0.030 . 2 . . . . 44 GLN HG2 . 11199 1 479 . 1 1 44 44 GLN HG3 H 1 2.297 0.030 . 2 . . . . 44 GLN HG3 . 11199 1 480 . 1 1 44 44 GLN C C 13 174.034 0.300 . 1 . . . . 44 GLN C . 11199 1 481 . 1 1 44 44 GLN CA C 13 56.139 0.300 . 1 . . . . 44 GLN CA . 11199 1 482 . 1 1 44 44 GLN CB C 13 26.446 0.300 . 1 . . . . 44 GLN CB . 11199 1 483 . 1 1 44 44 GLN CG C 13 32.036 0.300 . 1 . . . . 44 GLN CG . 11199 1 484 . 1 1 44 44 GLN N N 15 120.475 0.300 . 1 . . . . 44 GLN N . 11199 1 485 . 1 1 44 44 GLN NE2 N 15 111.558 0.300 . 1 . . . . 44 GLN NE2 . 11199 1 486 . 1 1 45 45 ALA H H 1 7.244 0.030 . 1 . . . . 45 ALA H . 11199 1 487 . 1 1 45 45 ALA HA H 1 4.290 0.030 . 1 . . . . 45 ALA HA . 11199 1 488 . 1 1 45 45 ALA HB1 H 1 1.375 0.030 . 1 . . . . 45 ALA HB . 11199 1 489 . 1 1 45 45 ALA HB2 H 1 1.375 0.030 . 1 . . . . 45 ALA HB . 11199 1 490 . 1 1 45 45 ALA HB3 H 1 1.375 0.030 . 1 . . . . 45 ALA HB . 11199 1 491 . 1 1 45 45 ALA C C 13 173.797 0.300 . 1 . . . . 45 ALA C . 11199 1 492 . 1 1 45 45 ALA CA C 13 49.148 0.300 . 1 . . . . 45 ALA CA . 11199 1 493 . 1 1 45 45 ALA CB C 13 16.901 0.300 . 1 . . . . 45 ALA CB . 11199 1 494 . 1 1 45 45 ALA N N 15 119.416 0.300 . 1 . . . . 45 ALA N . 11199 1 495 . 1 1 46 46 HIS H H 1 7.747 0.030 . 1 . . . . 46 HIS H . 11199 1 496 . 1 1 46 46 HIS HA H 1 4.164 0.030 . 1 . . . . 46 HIS HA . 11199 1 497 . 1 1 46 46 HIS HB2 H 1 3.543 0.030 . 2 . . . . 46 HIS HB2 . 11199 1 498 . 1 1 46 46 HIS HB3 H 1 3.324 0.030 . 2 . . . . 46 HIS HB3 . 11199 1 499 . 1 1 46 46 HIS HD2 H 1 7.121 0.030 . 1 . . . . 46 HIS HD2 . 11199 1 500 . 1 1 46 46 HIS HE1 H 1 8.397 0.030 . 1 . . . . 46 HIS HE1 . 11199 1 501 . 1 1 46 46 HIS C C 13 172.139 0.300 . 1 . . . . 46 HIS C . 11199 1 502 . 1 1 46 46 HIS CA C 13 54.398 0.300 . 1 . . . . 46 HIS CA . 11199 1 503 . 1 1 46 46 HIS CB C 13 23.076 0.300 . 1 . . . . 46 HIS CB . 11199 1 504 . 1 1 46 46 HIS CD2 C 13 117.442 0.300 . 1 . . . . 46 HIS CD2 . 11199 1 505 . 1 1 46 46 HIS CE1 C 13 134.479 0.300 . 1 . . . . 46 HIS CE1 . 11199 1 506 . 1 1 46 46 HIS N N 15 109.688 0.300 . 1 . . . . 46 HIS N . 11199 1 507 . 1 1 47 47 VAL H H 1 7.382 0.030 . 1 . . . . 47 VAL H . 11199 1 508 . 1 1 47 47 VAL HA H 1 3.488 0.030 . 1 . . . . 47 VAL HA . 11199 1 509 . 1 1 47 47 VAL HB H 1 1.436 0.030 . 1 . . . . 47 VAL HB . 11199 1 510 . 1 1 47 47 VAL HG11 H 1 0.699 0.030 . 1 . . . . 47 VAL HG1 . 11199 1 511 . 1 1 47 47 VAL HG12 H 1 0.699 0.030 . 1 . . . . 47 VAL HG1 . 11199 1 512 . 1 1 47 47 VAL HG13 H 1 0.699 0.030 . 1 . . . . 47 VAL HG1 . 11199 1 513 . 1 1 47 47 VAL HG21 H 1 0.689 0.030 . 1 . . . . 47 VAL HG2 . 11199 1 514 . 1 1 47 47 VAL HG22 H 1 0.689 0.030 . 1 . . . . 47 VAL HG2 . 11199 1 515 . 1 1 47 47 VAL HG23 H 1 0.689 0.030 . 1 . . . . 47 VAL HG2 . 11199 1 516 . 1 1 47 47 VAL C C 13 171.108 0.300 . 1 . . . . 47 VAL C . 11199 1 517 . 1 1 47 47 VAL CA C 13 61.500 0.300 . 1 . . . . 47 VAL CA . 11199 1 518 . 1 1 47 47 VAL CB C 13 29.181 0.300 . 1 . . . . 47 VAL CB . 11199 1 519 . 1 1 47 47 VAL CG1 C 13 20.296 0.300 . 2 . . . . 47 VAL CG1 . 11199 1 520 . 1 1 47 47 VAL CG2 C 13 20.593 0.300 . 2 . . . . 47 VAL CG2 . 11199 1 521 . 1 1 47 47 VAL N N 15 119.801 0.300 . 1 . . . . 47 VAL N . 11199 1 522 . 1 1 48 48 ARG H H 1 8.490 0.030 . 1 . . . . 48 ARG H . 11199 1 523 . 1 1 48 48 ARG HA H 1 4.579 0.030 . 1 . . . . 48 ARG HA . 11199 1 524 . 1 1 48 48 ARG HB2 H 1 1.679 0.030 . 1 . . . . 48 ARG HB2 . 11199 1 525 . 1 1 48 48 ARG HB3 H 1 1.679 0.030 . 1 . . . . 48 ARG HB3 . 11199 1 526 . 1 1 48 48 ARG HD2 H 1 3.093 0.030 . 2 . . . . 48 ARG HD2 . 11199 1 527 . 1 1 48 48 ARG HD3 H 1 3.026 0.030 . 2 . . . . 48 ARG HD3 . 11199 1 528 . 1 1 48 48 ARG HG2 H 1 1.505 0.030 . 1 . . . . 48 ARG HG2 . 11199 1 529 . 1 1 48 48 ARG HG3 H 1 1.505 0.030 . 1 . . . . 48 ARG HG3 . 11199 1 530 . 1 1 48 48 ARG C C 13 173.704 0.300 . 1 . . . . 48 ARG C . 11199 1 531 . 1 1 48 48 ARG CA C 13 52.066 0.300 . 1 . . . . 48 ARG CA . 11199 1 532 . 1 1 48 48 ARG CB C 13 30.886 0.300 . 1 . . . . 48 ARG CB . 11199 1 533 . 1 1 48 48 ARG CD C 13 41.428 0.300 . 1 . . . . 48 ARG CD . 11199 1 534 . 1 1 48 48 ARG CG C 13 24.991 0.300 . 1 . . . . 48 ARG CG . 11199 1 535 . 1 1 48 48 ARG N N 15 125.086 0.300 . 1 . . . . 48 ARG N . 11199 1 536 . 1 1 49 49 ILE H H 1 8.240 0.030 . 1 . . . . 49 ILE H . 11199 1 537 . 1 1 49 49 ILE HA H 1 3.340 0.030 . 1 . . . . 49 ILE HA . 11199 1 538 . 1 1 49 49 ILE HB H 1 1.625 0.030 . 1 . . . . 49 ILE HB . 11199 1 539 . 1 1 49 49 ILE HD11 H 1 0.824 0.030 . 1 . . . . 49 ILE HD1 . 11199 1 540 . 1 1 49 49 ILE HD12 H 1 0.824 0.030 . 1 . . . . 49 ILE HD1 . 11199 1 541 . 1 1 49 49 ILE HD13 H 1 0.824 0.030 . 1 . . . . 49 ILE HD1 . 11199 1 542 . 1 1 49 49 ILE HG12 H 1 1.545 0.030 . 2 . . . . 49 ILE HG12 . 11199 1 543 . 1 1 49 49 ILE HG13 H 1 0.836 0.030 . 2 . . . . 49 ILE HG13 . 11199 1 544 . 1 1 49 49 ILE HG21 H 1 0.794 0.030 . 1 . . . . 49 ILE HG2 . 11199 1 545 . 1 1 49 49 ILE HG22 H 1 0.794 0.030 . 1 . . . . 49 ILE HG2 . 11199 1 546 . 1 1 49 49 ILE HG23 H 1 0.794 0.030 . 1 . . . . 49 ILE HG2 . 11199 1 547 . 1 1 49 49 ILE C C 13 175.434 0.300 . 1 . . . . 49 ILE C . 11199 1 548 . 1 1 49 49 ILE CA C 13 60.806 0.300 . 1 . . . . 49 ILE CA . 11199 1 549 . 1 1 49 49 ILE CB C 13 34.827 0.300 . 1 . . . . 49 ILE CB . 11199 1 550 . 1 1 49 49 ILE CD1 C 13 10.485 0.300 . 1 . . . . 49 ILE CD1 . 11199 1 551 . 1 1 49 49 ILE CG1 C 13 26.418 0.300 . 1 . . . . 49 ILE CG1 . 11199 1 552 . 1 1 49 49 ILE CG2 C 13 14.861 0.300 . 1 . . . . 49 ILE CG2 . 11199 1 553 . 1 1 49 49 ILE N N 15 120.421 0.300 . 1 . . . . 49 ILE N . 11199 1 554 . 1 1 50 50 GLY H H 1 8.997 0.030 . 1 . . . . 50 GLY H . 11199 1 555 . 1 1 50 50 GLY HA2 H 1 4.335 0.030 . 2 . . . . 50 GLY HA2 . 11199 1 556 . 1 1 50 50 GLY HA3 H 1 3.427 0.030 . 2 . . . . 50 GLY HA3 . 11199 1 557 . 1 1 50 50 GLY C C 13 171.708 0.300 . 1 . . . . 50 GLY C . 11199 1 558 . 1 1 50 50 GLY CA C 13 42.244 0.300 . 1 . . . . 50 GLY CA . 11199 1 559 . 1 1 50 50 GLY N N 15 116.124 0.300 . 1 . . . . 50 GLY N . 11199 1 560 . 1 1 51 51 ASP H H 1 7.814 0.030 . 1 . . . . 51 ASP H . 11199 1 561 . 1 1 51 51 ASP HA H 1 4.554 0.030 . 1 . . . . 51 ASP HA . 11199 1 562 . 1 1 51 51 ASP HB2 H 1 2.650 0.030 . 2 . . . . 51 ASP HB2 . 11199 1 563 . 1 1 51 51 ASP HB3 H 1 2.238 0.030 . 2 . . . . 51 ASP HB3 . 11199 1 564 . 1 1 51 51 ASP C C 13 172.801 0.300 . 1 . . . . 51 ASP C . 11199 1 565 . 1 1 51 51 ASP CA C 13 53.656 0.300 . 1 . . . . 51 ASP CA . 11199 1 566 . 1 1 51 51 ASP CB C 13 39.017 0.300 . 1 . . . . 51 ASP CB . 11199 1 567 . 1 1 51 51 ASP N N 15 121.973 0.300 . 1 . . . . 51 ASP N . 11199 1 568 . 1 1 52 52 VAL H H 1 8.661 0.030 . 1 . . . . 52 VAL H . 11199 1 569 . 1 1 52 52 VAL HA H 1 4.437 0.030 . 1 . . . . 52 VAL HA . 11199 1 570 . 1 1 52 52 VAL HB H 1 1.930 0.030 . 1 . . . . 52 VAL HB . 11199 1 571 . 1 1 52 52 VAL HG11 H 1 0.936 0.030 . 1 . . . . 52 VAL HG1 . 11199 1 572 . 1 1 52 52 VAL HG12 H 1 0.936 0.030 . 1 . . . . 52 VAL HG1 . 11199 1 573 . 1 1 52 52 VAL HG13 H 1 0.936 0.030 . 1 . . . . 52 VAL HG1 . 11199 1 574 . 1 1 52 52 VAL HG21 H 1 0.815 0.030 . 1 . . . . 52 VAL HG2 . 11199 1 575 . 1 1 52 52 VAL HG22 H 1 0.815 0.030 . 1 . . . . 52 VAL HG2 . 11199 1 576 . 1 1 52 52 VAL HG23 H 1 0.815 0.030 . 1 . . . . 52 VAL HG2 . 11199 1 577 . 1 1 52 52 VAL C C 13 173.897 0.300 . 1 . . . . 52 VAL C . 11199 1 578 . 1 1 52 52 VAL CA C 13 58.960 0.300 . 1 . . . . 52 VAL CA . 11199 1 579 . 1 1 52 52 VAL CB C 13 31.810 0.300 . 1 . . . . 52 VAL CB . 11199 1 580 . 1 1 52 52 VAL CG1 C 13 19.538 0.300 . 2 . . . . 52 VAL CG1 . 11199 1 581 . 1 1 52 52 VAL CG2 C 13 18.932 0.300 . 2 . . . . 52 VAL CG2 . 11199 1 582 . 1 1 52 52 VAL N N 15 122.040 0.300 . 1 . . . . 52 VAL N . 11199 1 583 . 1 1 53 53 VAL H H 1 8.611 0.030 . 1 . . . . 53 VAL H . 11199 1 584 . 1 1 53 53 VAL HA H 1 3.905 0.030 . 1 . . . . 53 VAL HA . 11199 1 585 . 1 1 53 53 VAL HB H 1 1.797 0.030 . 1 . . . . 53 VAL HB . 11199 1 586 . 1 1 53 53 VAL HG11 H 1 0.640 0.030 . 1 . . . . 53 VAL HG1 . 11199 1 587 . 1 1 53 53 VAL HG12 H 1 0.640 0.030 . 1 . . . . 53 VAL HG1 . 11199 1 588 . 1 1 53 53 VAL HG13 H 1 0.640 0.030 . 1 . . . . 53 VAL HG1 . 11199 1 589 . 1 1 53 53 VAL HG21 H 1 0.591 0.030 . 1 . . . . 53 VAL HG2 . 11199 1 590 . 1 1 53 53 VAL HG22 H 1 0.591 0.030 . 1 . . . . 53 VAL HG2 . 11199 1 591 . 1 1 53 53 VAL HG23 H 1 0.591 0.030 . 1 . . . . 53 VAL HG2 . 11199 1 592 . 1 1 53 53 VAL C C 13 172.368 0.300 . 1 . . . . 53 VAL C . 11199 1 593 . 1 1 53 53 VAL CA C 13 60.425 0.300 . 1 . . . . 53 VAL CA . 11199 1 594 . 1 1 53 53 VAL CB C 13 29.465 0.300 . 1 . . . . 53 VAL CB . 11199 1 595 . 1 1 53 53 VAL CG1 C 13 19.827 0.300 . 2 . . . . 53 VAL CG1 . 11199 1 596 . 1 1 53 53 VAL CG2 C 13 18.868 0.300 . 2 . . . . 53 VAL CG2 . 11199 1 597 . 1 1 53 53 VAL N N 15 127.264 0.300 . 1 . . . . 53 VAL N . 11199 1 598 . 1 1 54 54 LEU H H 1 8.824 0.030 . 1 . . . . 54 LEU H . 11199 1 599 . 1 1 54 54 LEU HA H 1 4.400 0.030 . 1 . . . . 54 LEU HA . 11199 1 600 . 1 1 54 54 LEU HB2 H 1 1.644 0.030 . 2 . . . . 54 LEU HB2 . 11199 1 601 . 1 1 54 54 LEU HB3 H 1 1.323 0.030 . 2 . . . . 54 LEU HB3 . 11199 1 602 . 1 1 54 54 LEU HD11 H 1 0.697 0.030 . 1 . . . . 54 LEU HD1 . 11199 1 603 . 1 1 54 54 LEU HD12 H 1 0.697 0.030 . 1 . . . . 54 LEU HD1 . 11199 1 604 . 1 1 54 54 LEU HD13 H 1 0.697 0.030 . 1 . . . . 54 LEU HD1 . 11199 1 605 . 1 1 54 54 LEU HD21 H 1 0.741 0.030 . 1 . . . . 54 LEU HD2 . 11199 1 606 . 1 1 54 54 LEU HD22 H 1 0.741 0.030 . 1 . . . . 54 LEU HD2 . 11199 1 607 . 1 1 54 54 LEU HD23 H 1 0.741 0.030 . 1 . . . . 54 LEU HD2 . 11199 1 608 . 1 1 54 54 LEU HG H 1 1.466 0.030 . 1 . . . . 54 LEU HG . 11199 1 609 . 1 1 54 54 LEU C C 13 177.350 0.300 . 1 . . . . 54 LEU C . 11199 1 610 . 1 1 54 54 LEU CA C 13 53.214 0.300 . 1 . . . . 54 LEU CA . 11199 1 611 . 1 1 54 54 LEU CB C 13 40.264 0.300 . 1 . . . . 54 LEU CB . 11199 1 612 . 1 1 54 54 LEU CD1 C 13 19.684 0.300 . 2 . . . . 54 LEU CD1 . 11199 1 613 . 1 1 54 54 LEU CD2 C 13 23.495 0.300 . 2 . . . . 54 LEU CD2 . 11199 1 614 . 1 1 54 54 LEU CG C 13 24.236 0.300 . 1 . . . . 54 LEU CG . 11199 1 615 . 1 1 54 54 LEU N N 15 125.778 0.300 . 1 . . . . 54 LEU N . 11199 1 616 . 1 1 55 55 SER H H 1 7.817 0.030 . 1 . . . . 55 SER H . 11199 1 617 . 1 1 55 55 SER HA H 1 4.958 0.030 . 1 . . . . 55 SER HA . 11199 1 618 . 1 1 55 55 SER HB2 H 1 3.690 0.030 . 2 . . . . 55 SER HB2 . 11199 1 619 . 1 1 55 55 SER HB3 H 1 3.279 0.030 . 2 . . . . 55 SER HB3 . 11199 1 620 . 1 1 55 55 SER C C 13 169.543 0.300 . 1 . . . . 55 SER C . 11199 1 621 . 1 1 55 55 SER CA C 13 55.425 0.300 . 1 . . . . 55 SER CA . 11199 1 622 . 1 1 55 55 SER CB C 13 63.100 0.300 . 1 . . . . 55 SER CB . 11199 1 623 . 1 1 55 55 SER N N 15 113.539 0.300 . 1 . . . . 55 SER N . 11199 1 624 . 1 1 56 56 ILE H H 1 8.448 0.030 . 1 . . . . 56 ILE H . 11199 1 625 . 1 1 56 56 ILE HA H 1 4.304 0.030 . 1 . . . . 56 ILE HA . 11199 1 626 . 1 1 56 56 ILE HB H 1 1.328 0.030 . 1 . . . . 56 ILE HB . 11199 1 627 . 1 1 56 56 ILE HD11 H 1 0.749 0.030 . 1 . . . . 56 ILE HD1 . 11199 1 628 . 1 1 56 56 ILE HD12 H 1 0.749 0.030 . 1 . . . . 56 ILE HD1 . 11199 1 629 . 1 1 56 56 ILE HD13 H 1 0.749 0.030 . 1 . . . . 56 ILE HD1 . 11199 1 630 . 1 1 56 56 ILE HG12 H 1 1.312 0.030 . 2 . . . . 56 ILE HG12 . 11199 1 631 . 1 1 56 56 ILE HG13 H 1 0.631 0.030 . 2 . . . . 56 ILE HG13 . 11199 1 632 . 1 1 56 56 ILE HG21 H 1 0.657 0.030 . 1 . . . . 56 ILE HG2 . 11199 1 633 . 1 1 56 56 ILE HG22 H 1 0.657 0.030 . 1 . . . . 56 ILE HG2 . 11199 1 634 . 1 1 56 56 ILE HG23 H 1 0.657 0.030 . 1 . . . . 56 ILE HG2 . 11199 1 635 . 1 1 56 56 ILE C C 13 172.668 0.300 . 1 . . . . 56 ILE C . 11199 1 636 . 1 1 56 56 ILE CA C 13 58.534 0.300 . 1 . . . . 56 ILE CA . 11199 1 637 . 1 1 56 56 ILE CB C 13 40.051 0.300 . 1 . . . . 56 ILE CB . 11199 1 638 . 1 1 56 56 ILE CD1 C 13 11.695 0.300 . 1 . . . . 56 ILE CD1 . 11199 1 639 . 1 1 56 56 ILE CG1 C 13 25.684 0.300 . 1 . . . . 56 ILE CG1 . 11199 1 640 . 1 1 56 56 ILE CG2 C 13 15.656 0.300 . 1 . . . . 56 ILE CG2 . 11199 1 641 . 1 1 56 56 ILE N N 15 118.855 0.300 . 1 . . . . 56 ILE N . 11199 1 642 . 1 1 57 57 ASP H H 1 9.520 0.030 . 1 . . . . 57 ASP H . 11199 1 643 . 1 1 57 57 ASP HA H 1 4.219 0.030 . 1 . . . . 57 ASP HA . 11199 1 644 . 1 1 57 57 ASP HB2 H 1 3.016 0.030 . 2 . . . . 57 ASP HB2 . 11199 1 645 . 1 1 57 57 ASP HB3 H 1 2.219 0.030 . 2 . . . . 57 ASP HB3 . 11199 1 646 . 1 1 57 57 ASP C C 13 172.995 0.300 . 1 . . . . 57 ASP C . 11199 1 647 . 1 1 57 57 ASP CA C 13 52.990 0.300 . 1 . . . . 57 ASP CA . 11199 1 648 . 1 1 57 57 ASP CB C 13 38.489 0.300 . 1 . . . . 57 ASP CB . 11199 1 649 . 1 1 57 57 ASP N N 15 127.599 0.300 . 1 . . . . 57 ASP N . 11199 1 650 . 1 1 58 58 GLY H H 1 8.804 0.030 . 1 . . . . 58 GLY H . 11199 1 651 . 1 1 58 58 GLY HA2 H 1 4.011 0.030 . 2 . . . . 58 GLY HA2 . 11199 1 652 . 1 1 58 58 GLY HA3 H 1 3.455 0.030 . 2 . . . . 58 GLY HA3 . 11199 1 653 . 1 1 58 58 GLY C C 13 171.665 0.300 . 1 . . . . 58 GLY C . 11199 1 654 . 1 1 58 58 GLY CA C 13 42.784 0.300 . 1 . . . . 58 GLY CA . 11199 1 655 . 1 1 58 58 GLY N N 15 102.473 0.300 . 1 . . . . 58 GLY N . 11199 1 656 . 1 1 59 59 ILE H H 1 7.854 0.030 . 1 . . . . 59 ILE H . 11199 1 657 . 1 1 59 59 ILE HA H 1 4.231 0.030 . 1 . . . . 59 ILE HA . 11199 1 658 . 1 1 59 59 ILE HB H 1 1.928 0.030 . 1 . . . . 59 ILE HB . 11199 1 659 . 1 1 59 59 ILE HD11 H 1 0.733 0.030 . 1 . . . . 59 ILE HD1 . 11199 1 660 . 1 1 59 59 ILE HD12 H 1 0.733 0.030 . 1 . . . . 59 ILE HD1 . 11199 1 661 . 1 1 59 59 ILE HD13 H 1 0.733 0.030 . 1 . . . . 59 ILE HD1 . 11199 1 662 . 1 1 59 59 ILE HG12 H 1 1.291 0.030 . 1 . . . . 59 ILE HG12 . 11199 1 663 . 1 1 59 59 ILE HG13 H 1 1.291 0.030 . 1 . . . . 59 ILE HG13 . 11199 1 664 . 1 1 59 59 ILE HG21 H 1 0.876 0.030 . 1 . . . . 59 ILE HG2 . 11199 1 665 . 1 1 59 59 ILE HG22 H 1 0.876 0.030 . 1 . . . . 59 ILE HG2 . 11199 1 666 . 1 1 59 59 ILE HG23 H 1 0.876 0.030 . 1 . . . . 59 ILE HG2 . 11199 1 667 . 1 1 59 59 ILE C C 13 173.178 0.300 . 1 . . . . 59 ILE C . 11199 1 668 . 1 1 59 59 ILE CA C 13 56.216 0.300 . 1 . . . . 59 ILE CA . 11199 1 669 . 1 1 59 59 ILE CB C 13 35.818 0.300 . 1 . . . . 59 ILE CB . 11199 1 670 . 1 1 59 59 ILE CD1 C 13 8.991 0.300 . 1 . . . . 59 ILE CD1 . 11199 1 671 . 1 1 59 59 ILE CG1 C 13 24.562 0.300 . 1 . . . . 59 ILE CG1 . 11199 1 672 . 1 1 59 59 ILE CG2 C 13 14.929 0.300 . 1 . . . . 59 ILE CG2 . 11199 1 673 . 1 1 59 59 ILE N N 15 121.907 0.300 . 1 . . . . 59 ILE N . 11199 1 674 . 1 1 60 60 SER H H 1 8.597 0.030 . 1 . . . . 60 SER H . 11199 1 675 . 1 1 60 60 SER HA H 1 4.153 0.030 . 1 . . . . 60 SER HA . 11199 1 676 . 1 1 60 60 SER HB2 H 1 3.797 0.030 . 2 . . . . 60 SER HB2 . 11199 1 677 . 1 1 60 60 SER HB3 H 1 4.007 0.030 . 2 . . . . 60 SER HB3 . 11199 1 678 . 1 1 60 60 SER C C 13 173.103 0.300 . 1 . . . . 60 SER C . 11199 1 679 . 1 1 60 60 SER CA C 13 56.935 0.300 . 1 . . . . 60 SER CA . 11199 1 680 . 1 1 60 60 SER CB C 13 61.107 0.300 . 1 . . . . 60 SER CB . 11199 1 681 . 1 1 60 60 SER N N 15 119.715 0.300 . 1 . . . . 60 SER N . 11199 1 682 . 1 1 61 61 ALA H H 1 8.413 0.030 . 1 . . . . 61 ALA H . 11199 1 683 . 1 1 61 61 ALA HA H 1 4.573 0.030 . 1 . . . . 61 ALA HA . 11199 1 684 . 1 1 61 61 ALA HB1 H 1 1.189 0.030 . 1 . . . . 61 ALA HB . 11199 1 685 . 1 1 61 61 ALA HB2 H 1 1.189 0.030 . 1 . . . . 61 ALA HB . 11199 1 686 . 1 1 61 61 ALA HB3 H 1 1.189 0.030 . 1 . . . . 61 ALA HB . 11199 1 687 . 1 1 61 61 ALA C C 13 176.464 0.300 . 1 . . . . 61 ALA C . 11199 1 688 . 1 1 61 61 ALA CA C 13 49.603 0.300 . 1 . . . . 61 ALA CA . 11199 1 689 . 1 1 61 61 ALA CB C 13 17.487 0.300 . 1 . . . . 61 ALA CB . 11199 1 690 . 1 1 61 61 ALA N N 15 128.573 0.300 . 1 . . . . 61 ALA N . 11199 1 691 . 1 1 62 62 GLN H H 1 8.036 0.030 . 1 . . . . 62 GLN H . 11199 1 692 . 1 1 62 62 GLN HA H 1 4.082 0.030 . 1 . . . . 62 GLN HA . 11199 1 693 . 1 1 62 62 GLN HB2 H 1 2.019 0.030 . 1 . . . . 62 GLN HB2 . 11199 1 694 . 1 1 62 62 GLN HB3 H 1 2.019 0.030 . 1 . . . . 62 GLN HB3 . 11199 1 695 . 1 1 62 62 GLN HE21 H 1 7.548 0.030 . 2 . . . . 62 GLN HE21 . 11199 1 696 . 1 1 62 62 GLN HE22 H 1 6.828 0.030 . 2 . . . . 62 GLN HE22 . 11199 1 697 . 1 1 62 62 GLN HG2 H 1 2.377 0.030 . 1 . . . . 62 GLN HG2 . 11199 1 698 . 1 1 62 62 GLN HG3 H 1 2.377 0.030 . 1 . . . . 62 GLN HG3 . 11199 1 699 . 1 1 62 62 GLN C C 13 174.127 0.300 . 1 . . . . 62 GLN C . 11199 1 700 . 1 1 62 62 GLN CA C 13 56.393 0.300 . 1 . . . . 62 GLN CA . 11199 1 701 . 1 1 62 62 GLN CB C 13 26.174 0.300 . 1 . . . . 62 GLN CB . 11199 1 702 . 1 1 62 62 GLN CG C 13 31.701 0.300 . 1 . . . . 62 GLN CG . 11199 1 703 . 1 1 62 62 GLN N N 15 119.124 0.300 . 1 . . . . 62 GLN N . 11199 1 704 . 1 1 62 62 GLN NE2 N 15 112.083 0.300 . 1 . . . . 62 GLN NE2 . 11199 1 705 . 1 1 63 63 GLY H H 1 8.365 0.030 . 1 . . . . 63 GLY H . 11199 1 706 . 1 1 63 63 GLY HA2 H 1 4.059 0.030 . 2 . . . . 63 GLY HA2 . 11199 1 707 . 1 1 63 63 GLY HA3 H 1 3.804 0.030 . 2 . . . . 63 GLY HA3 . 11199 1 708 . 1 1 63 63 GLY C C 13 171.788 0.300 . 1 . . . . 63 GLY C . 11199 1 709 . 1 1 63 63 GLY CA C 13 42.520 0.300 . 1 . . . . 63 GLY CA . 11199 1 710 . 1 1 63 63 GLY N N 15 107.864 0.300 . 1 . . . . 63 GLY N . 11199 1 711 . 1 1 64 64 MET H H 1 7.357 0.030 . 1 . . . . 64 MET H . 11199 1 712 . 1 1 64 64 MET HA H 1 4.616 0.030 . 1 . . . . 64 MET HA . 11199 1 713 . 1 1 64 64 MET HB2 H 1 2.162 0.030 . 2 . . . . 64 MET HB2 . 11199 1 714 . 1 1 64 64 MET HB3 H 1 2.014 0.030 . 2 . . . . 64 MET HB3 . 11199 1 715 . 1 1 64 64 MET HE1 H 1 1.923 0.030 . 1 . . . . 64 MET HE . 11199 1 716 . 1 1 64 64 MET HE2 H 1 1.923 0.030 . 1 . . . . 64 MET HE . 11199 1 717 . 1 1 64 64 MET HE3 H 1 1.923 0.030 . 1 . . . . 64 MET HE . 11199 1 718 . 1 1 64 64 MET HG2 H 1 2.619 0.030 . 2 . . . . 64 MET HG2 . 11199 1 719 . 1 1 64 64 MET HG3 H 1 2.540 0.030 . 2 . . . . 64 MET HG3 . 11199 1 720 . 1 1 64 64 MET C C 13 176.258 0.300 . 1 . . . . 64 MET C . 11199 1 721 . 1 1 64 64 MET CA C 13 54.457 0.300 . 1 . . . . 64 MET CA . 11199 1 722 . 1 1 64 64 MET CB C 13 31.989 0.300 . 1 . . . . 64 MET CB . 11199 1 723 . 1 1 64 64 MET CE C 13 15.134 0.300 . 1 . . . . 64 MET CE . 11199 1 724 . 1 1 64 64 MET CG C 13 31.533 0.300 . 1 . . . . 64 MET CG . 11199 1 725 . 1 1 64 64 MET N N 15 118.871 0.300 . 1 . . . . 64 MET N . 11199 1 726 . 1 1 65 65 THR H H 1 8.809 0.030 . 1 . . . . 65 THR H . 11199 1 727 . 1 1 65 65 THR HA H 1 4.510 0.030 . 1 . . . . 65 THR HA . 11199 1 728 . 1 1 65 65 THR HB H 1 4.663 0.030 . 1 . . . . 65 THR HB . 11199 1 729 . 1 1 65 65 THR HG21 H 1 1.319 0.030 . 1 . . . . 65 THR HG2 . 11199 1 730 . 1 1 65 65 THR HG22 H 1 1.319 0.030 . 1 . . . . 65 THR HG2 . 11199 1 731 . 1 1 65 65 THR HG23 H 1 1.319 0.030 . 1 . . . . 65 THR HG2 . 11199 1 732 . 1 1 65 65 THR C C 13 172.162 0.300 . 1 . . . . 65 THR C . 11199 1 733 . 1 1 65 65 THR CA C 13 59.252 0.300 . 1 . . . . 65 THR CA . 11199 1 734 . 1 1 65 65 THR CB C 13 68.682 0.300 . 1 . . . . 65 THR CB . 11199 1 735 . 1 1 65 65 THR CG2 C 13 20.216 0.300 . 1 . . . . 65 THR CG2 . 11199 1 736 . 1 1 65 65 THR N N 15 113.754 0.300 . 1 . . . . 65 THR N . 11199 1 737 . 1 1 66 66 HIS H H 1 10.239 0.030 . 1 . . . . 66 HIS H . 11199 1 738 . 1 1 66 66 HIS HA H 1 4.055 0.030 . 1 . . . . 66 HIS HA . 11199 1 739 . 1 1 66 66 HIS HB2 H 1 3.463 0.030 . 2 . . . . 66 HIS HB2 . 11199 1 740 . 1 1 66 66 HIS HB3 H 1 3.801 0.030 . 2 . . . . 66 HIS HB3 . 11199 1 741 . 1 1 66 66 HIS HD2 H 1 6.945 0.030 . 1 . . . . 66 HIS HD2 . 11199 1 742 . 1 1 66 66 HIS HE1 H 1 7.896 0.030 . 1 . . . . 66 HIS HE1 . 11199 1 743 . 1 1 66 66 HIS C C 13 175.125 0.300 . 1 . . . . 66 HIS C . 11199 1 744 . 1 1 66 66 HIS CA C 13 59.502 0.300 . 1 . . . . 66 HIS CA . 11199 1 745 . 1 1 66 66 HIS CB C 13 27.108 0.300 . 1 . . . . 66 HIS CB . 11199 1 746 . 1 1 66 66 HIS CD2 C 13 119.893 0.300 . 1 . . . . 66 HIS CD2 . 11199 1 747 . 1 1 66 66 HIS CE1 C 13 134.922 0.300 . 1 . . . . 66 HIS CE1 . 11199 1 748 . 1 1 66 66 HIS N N 15 122.402 0.300 . 1 . . . . 66 HIS N . 11199 1 749 . 1 1 67 67 LEU H H 1 8.875 0.030 . 1 . . . . 67 LEU H . 11199 1 750 . 1 1 67 67 LEU HA H 1 4.022 0.030 . 1 . . . . 67 LEU HA . 11199 1 751 . 1 1 67 67 LEU HB2 H 1 1.604 0.030 . 1 . . . . 67 LEU HB2 . 11199 1 752 . 1 1 67 67 LEU HB3 H 1 1.604 0.030 . 1 . . . . 67 LEU HB3 . 11199 1 753 . 1 1 67 67 LEU HD11 H 1 0.872 0.030 . 1 . . . . 67 LEU HD1 . 11199 1 754 . 1 1 67 67 LEU HD12 H 1 0.872 0.030 . 1 . . . . 67 LEU HD1 . 11199 1 755 . 1 1 67 67 LEU HD13 H 1 0.872 0.030 . 1 . . . . 67 LEU HD1 . 11199 1 756 . 1 1 67 67 LEU HD21 H 1 0.919 0.030 . 1 . . . . 67 LEU HD2 . 11199 1 757 . 1 1 67 67 LEU HD22 H 1 0.919 0.030 . 1 . . . . 67 LEU HD2 . 11199 1 758 . 1 1 67 67 LEU HD23 H 1 0.919 0.030 . 1 . . . . 67 LEU HD2 . 11199 1 759 . 1 1 67 67 LEU HG H 1 1.522 0.030 . 1 . . . . 67 LEU HG . 11199 1 760 . 1 1 67 67 LEU C C 13 176.505 0.300 . 1 . . . . 67 LEU C . 11199 1 761 . 1 1 67 67 LEU CA C 13 55.366 0.300 . 1 . . . . 67 LEU CA . 11199 1 762 . 1 1 67 67 LEU CB C 13 39.947 0.300 . 1 . . . . 67 LEU CB . 11199 1 763 . 1 1 67 67 LEU CD1 C 13 22.878 0.300 . 2 . . . . 67 LEU CD1 . 11199 1 764 . 1 1 67 67 LEU CD2 C 13 21.476 0.300 . 2 . . . . 67 LEU CD2 . 11199 1 765 . 1 1 67 67 LEU CG C 13 24.553 0.300 . 1 . . . . 67 LEU CG . 11199 1 766 . 1 1 67 67 LEU N N 15 118.104 0.300 . 1 . . . . 67 LEU N . 11199 1 767 . 1 1 68 68 GLU H H 1 7.734 0.030 . 1 . . . . 68 GLU H . 11199 1 768 . 1 1 68 68 GLU HA H 1 3.890 0.030 . 1 . . . . 68 GLU HA . 11199 1 769 . 1 1 68 68 GLU HB2 H 1 2.248 0.030 . 2 . . . . 68 GLU HB2 . 11199 1 770 . 1 1 68 68 GLU HB3 H 1 1.864 0.030 . 2 . . . . 68 GLU HB3 . 11199 1 771 . 1 1 68 68 GLU HG2 H 1 2.314 0.030 . 2 . . . . 68 GLU HG2 . 11199 1 772 . 1 1 68 68 GLU HG3 H 1 2.256 0.030 . 2 . . . . 68 GLU HG3 . 11199 1 773 . 1 1 68 68 GLU C C 13 177.710 0.300 . 1 . . . . 68 GLU C . 11199 1 774 . 1 1 68 68 GLU CA C 13 57.156 0.300 . 1 . . . . 68 GLU CA . 11199 1 775 . 1 1 68 68 GLU CB C 13 27.510 0.300 . 1 . . . . 68 GLU CB . 11199 1 776 . 1 1 68 68 GLU CG C 13 34.971 0.300 . 1 . . . . 68 GLU CG . 11199 1 777 . 1 1 68 68 GLU N N 15 118.349 0.300 . 1 . . . . 68 GLU N . 11199 1 778 . 1 1 69 69 ALA H H 1 8.084 0.030 . 1 . . . . 69 ALA H . 11199 1 779 . 1 1 69 69 ALA HA H 1 4.045 0.030 . 1 . . . . 69 ALA HA . 11199 1 780 . 1 1 69 69 ALA HB1 H 1 1.267 0.030 . 1 . . . . 69 ALA HB . 11199 1 781 . 1 1 69 69 ALA HB2 H 1 1.267 0.030 . 1 . . . . 69 ALA HB . 11199 1 782 . 1 1 69 69 ALA HB3 H 1 1.267 0.030 . 1 . . . . 69 ALA HB . 11199 1 783 . 1 1 69 69 ALA C C 13 176.979 0.300 . 1 . . . . 69 ALA C . 11199 1 784 . 1 1 69 69 ALA CA C 13 53.180 0.300 . 1 . . . . 69 ALA CA . 11199 1 785 . 1 1 69 69 ALA CB C 13 16.951 0.300 . 1 . . . . 69 ALA CB . 11199 1 786 . 1 1 69 69 ALA N N 15 121.857 0.300 . 1 . . . . 69 ALA N . 11199 1 787 . 1 1 70 70 GLN H H 1 8.175 0.030 . 1 . . . . 70 GLN H . 11199 1 788 . 1 1 70 70 GLN HA H 1 3.851 0.030 . 1 . . . . 70 GLN HA . 11199 1 789 . 1 1 70 70 GLN HB2 H 1 2.099 0.030 . 2 . . . . 70 GLN HB2 . 11199 1 790 . 1 1 70 70 GLN HB3 H 1 2.001 0.030 . 2 . . . . 70 GLN HB3 . 11199 1 791 . 1 1 70 70 GLN HE21 H 1 7.158 0.030 . 2 . . . . 70 GLN HE21 . 11199 1 792 . 1 1 70 70 GLN HE22 H 1 6.860 0.030 . 2 . . . . 70 GLN HE22 . 11199 1 793 . 1 1 70 70 GLN HG2 H 1 2.317 0.030 . 2 . . . . 70 GLN HG2 . 11199 1 794 . 1 1 70 70 GLN HG3 H 1 2.131 0.030 . 2 . . . . 70 GLN HG3 . 11199 1 795 . 1 1 70 70 GLN C C 13 177.432 0.300 . 1 . . . . 70 GLN C . 11199 1 796 . 1 1 70 70 GLN CA C 13 56.700 0.300 . 1 . . . . 70 GLN CA . 11199 1 797 . 1 1 70 70 GLN CB C 13 26.511 0.300 . 1 . . . . 70 GLN CB . 11199 1 798 . 1 1 70 70 GLN CG C 13 31.501 0.300 . 1 . . . . 70 GLN CG . 11199 1 799 . 1 1 70 70 GLN N N 15 116.077 0.300 . 1 . . . . 70 GLN N . 11199 1 800 . 1 1 70 70 GLN NE2 N 15 111.054 0.300 . 1 . . . . 70 GLN NE2 . 11199 1 801 . 1 1 71 71 ASN H H 1 8.831 0.030 . 1 . . . . 71 ASN H . 11199 1 802 . 1 1 71 71 ASN HA H 1 4.454 0.030 . 1 . . . . 71 ASN HA . 11199 1 803 . 1 1 71 71 ASN HB2 H 1 2.894 0.030 . 2 . . . . 71 ASN HB2 . 11199 1 804 . 1 1 71 71 ASN HB3 H 1 2.690 0.030 . 2 . . . . 71 ASN HB3 . 11199 1 805 . 1 1 71 71 ASN HD21 H 1 7.572 0.030 . 2 . . . . 71 ASN HD21 . 11199 1 806 . 1 1 71 71 ASN HD22 H 1 6.714 0.030 . 2 . . . . 71 ASN HD22 . 11199 1 807 . 1 1 71 71 ASN C C 13 176.005 0.300 . 1 . . . . 71 ASN C . 11199 1 808 . 1 1 71 71 ASN CA C 13 53.053 0.300 . 1 . . . . 71 ASN CA . 11199 1 809 . 1 1 71 71 ASN CB C 13 34.941 0.300 . 1 . . . . 71 ASN CB . 11199 1 810 . 1 1 71 71 ASN N N 15 118.438 0.300 . 1 . . . . 71 ASN N . 11199 1 811 . 1 1 71 71 ASN ND2 N 15 110.217 0.300 . 1 . . . . 71 ASN ND2 . 11199 1 812 . 1 1 72 72 LYS H H 1 8.085 0.030 . 1 . . . . 72 LYS H . 11199 1 813 . 1 1 72 72 LYS HA H 1 4.137 0.030 . 1 . . . . 72 LYS HA . 11199 1 814 . 1 1 72 72 LYS HB2 H 1 1.932 0.030 . 1 . . . . 72 LYS HB2 . 11199 1 815 . 1 1 72 72 LYS HB3 H 1 1.932 0.030 . 1 . . . . 72 LYS HB3 . 11199 1 816 . 1 1 72 72 LYS HD2 H 1 1.723 0.030 . 2 . . . . 72 LYS HD2 . 11199 1 817 . 1 1 72 72 LYS HD3 H 1 1.617 0.030 . 2 . . . . 72 LYS HD3 . 11199 1 818 . 1 1 72 72 LYS HE2 H 1 2.875 0.030 . 1 . . . . 72 LYS HE2 . 11199 1 819 . 1 1 72 72 LYS HE3 H 1 2.875 0.030 . 1 . . . . 72 LYS HE3 . 11199 1 820 . 1 1 72 72 LYS HG2 H 1 1.417 0.030 . 2 . . . . 72 LYS HG2 . 11199 1 821 . 1 1 72 72 LYS HG3 H 1 1.295 0.030 . 2 . . . . 72 LYS HG3 . 11199 1 822 . 1 1 72 72 LYS C C 13 176.690 0.300 . 1 . . . . 72 LYS C . 11199 1 823 . 1 1 72 72 LYS CA C 13 55.820 0.300 . 1 . . . . 72 LYS CA . 11199 1 824 . 1 1 72 72 LYS CB C 13 28.907 0.300 . 1 . . . . 72 LYS CB . 11199 1 825 . 1 1 72 72 LYS CD C 13 25.835 0.300 . 1 . . . . 72 LYS CD . 11199 1 826 . 1 1 72 72 LYS CE C 13 39.866 0.300 . 1 . . . . 72 LYS CE . 11199 1 827 . 1 1 72 72 LYS CG C 13 22.249 0.300 . 1 . . . . 72 LYS CG . 11199 1 828 . 1 1 72 72 LYS N N 15 122.614 0.300 . 1 . . . . 72 LYS N . 11199 1 829 . 1 1 73 73 ILE H H 1 7.914 0.030 . 1 . . . . 73 ILE H . 11199 1 830 . 1 1 73 73 ILE HA H 1 3.579 0.030 . 1 . . . . 73 ILE HA . 11199 1 831 . 1 1 73 73 ILE HB H 1 1.899 0.030 . 1 . . . . 73 ILE HB . 11199 1 832 . 1 1 73 73 ILE HD11 H 1 0.814 0.030 . 1 . . . . 73 ILE HD1 . 11199 1 833 . 1 1 73 73 ILE HD12 H 1 0.814 0.030 . 1 . . . . 73 ILE HD1 . 11199 1 834 . 1 1 73 73 ILE HD13 H 1 0.814 0.030 . 1 . . . . 73 ILE HD1 . 11199 1 835 . 1 1 73 73 ILE HG12 H 1 1.806 0.030 . 2 . . . . 73 ILE HG12 . 11199 1 836 . 1 1 73 73 ILE HG13 H 1 0.984 0.030 . 2 . . . . 73 ILE HG13 . 11199 1 837 . 1 1 73 73 ILE HG21 H 1 0.905 0.030 . 1 . . . . 73 ILE HG2 . 11199 1 838 . 1 1 73 73 ILE HG22 H 1 0.905 0.030 . 1 . . . . 73 ILE HG2 . 11199 1 839 . 1 1 73 73 ILE HG23 H 1 0.905 0.030 . 1 . . . . 73 ILE HG2 . 11199 1 840 . 1 1 73 73 ILE C C 13 177.010 0.300 . 1 . . . . 73 ILE C . 11199 1 841 . 1 1 73 73 ILE CA C 13 63.373 0.300 . 1 . . . . 73 ILE CA . 11199 1 842 . 1 1 73 73 ILE CB C 13 35.919 0.300 . 1 . . . . 73 ILE CB . 11199 1 843 . 1 1 73 73 ILE CD1 C 13 11.926 0.300 . 1 . . . . 73 ILE CD1 . 11199 1 844 . 1 1 73 73 ILE CG1 C 13 27.927 0.300 . 1 . . . . 73 ILE CG1 . 11199 1 845 . 1 1 73 73 ILE CG2 C 13 15.426 0.300 . 1 . . . . 73 ILE CG2 . 11199 1 846 . 1 1 73 73 ILE N N 15 118.725 0.300 . 1 . . . . 73 ILE N . 11199 1 847 . 1 1 74 74 LYS H H 1 8.170 0.030 . 1 . . . . 74 LYS H . 11199 1 848 . 1 1 74 74 LYS HA H 1 4.130 0.030 . 1 . . . . 74 LYS HA . 11199 1 849 . 1 1 74 74 LYS HB2 H 1 1.924 0.030 . 1 . . . . 74 LYS HB2 . 11199 1 850 . 1 1 74 74 LYS HB3 H 1 1.924 0.030 . 1 . . . . 74 LYS HB3 . 11199 1 851 . 1 1 74 74 LYS HD2 H 1 1.678 0.030 . 1 . . . . 74 LYS HD2 . 11199 1 852 . 1 1 74 74 LYS HD3 H 1 1.678 0.030 . 1 . . . . 74 LYS HD3 . 11199 1 853 . 1 1 74 74 LYS HE2 H 1 2.935 0.030 . 1 . . . . 74 LYS HE2 . 11199 1 854 . 1 1 74 74 LYS HE3 H 1 2.935 0.030 . 1 . . . . 74 LYS HE3 . 11199 1 855 . 1 1 74 74 LYS HG2 H 1 1.587 0.030 . 2 . . . . 74 LYS HG2 . 11199 1 856 . 1 1 74 74 LYS HG3 H 1 1.498 0.030 . 2 . . . . 74 LYS HG3 . 11199 1 857 . 1 1 74 74 LYS C C 13 174.651 0.300 . 1 . . . . 74 LYS C . 11199 1 858 . 1 1 74 74 LYS CA C 13 56.730 0.300 . 1 . . . . 74 LYS CA . 11199 1 859 . 1 1 74 74 LYS CB C 13 30.521 0.300 . 1 . . . . 74 LYS CB . 11199 1 860 . 1 1 74 74 LYS CD C 13 27.221 0.300 . 1 . . . . 74 LYS CD . 11199 1 861 . 1 1 74 74 LYS CE C 13 39.869 0.300 . 1 . . . . 74 LYS CE . 11199 1 862 . 1 1 74 74 LYS CG C 13 23.146 0.300 . 1 . . . . 74 LYS CG . 11199 1 863 . 1 1 74 74 LYS N N 15 119.512 0.300 . 1 . . . . 74 LYS N . 11199 1 864 . 1 1 75 75 ALA H H 1 7.354 0.030 . 1 . . . . 75 ALA H . 11199 1 865 . 1 1 75 75 ALA HA H 1 4.286 0.030 . 1 . . . . 75 ALA HA . 11199 1 866 . 1 1 75 75 ALA HB1 H 1 1.521 0.030 . 1 . . . . 75 ALA HB . 11199 1 867 . 1 1 75 75 ALA HB2 H 1 1.521 0.030 . 1 . . . . 75 ALA HB . 11199 1 868 . 1 1 75 75 ALA HB3 H 1 1.521 0.030 . 1 . . . . 75 ALA HB . 11199 1 869 . 1 1 75 75 ALA C C 13 175.517 0.300 . 1 . . . . 75 ALA C . 11199 1 870 . 1 1 75 75 ALA CA C 13 50.219 0.300 . 1 . . . . 75 ALA CA . 11199 1 871 . 1 1 75 75 ALA CB C 13 16.862 0.300 . 1 . . . . 75 ALA CB . 11199 1 872 . 1 1 75 75 ALA N N 15 118.156 0.300 . 1 . . . . 75 ALA N . 11199 1 873 . 1 1 76 76 CYS H H 1 7.473 0.030 . 1 . . . . 76 CYS H . 11199 1 874 . 1 1 76 76 CYS HA H 1 4.458 0.030 . 1 . . . . 76 CYS HA . 11199 1 875 . 1 1 76 76 CYS HB2 H 1 3.119 0.030 . 1 . . . . 76 CYS HB2 . 11199 1 876 . 1 1 76 76 CYS HB3 H 1 3.119 0.030 . 1 . . . . 76 CYS HB3 . 11199 1 877 . 1 1 76 76 CYS C C 13 172.993 0.300 . 1 . . . . 76 CYS C . 11199 1 878 . 1 1 76 76 CYS CA C 13 58.549 0.300 . 1 . . . . 76 CYS CA . 11199 1 879 . 1 1 76 76 CYS CB C 13 24.927 0.300 . 1 . . . . 76 CYS CB . 11199 1 880 . 1 1 76 76 CYS N N 15 119.330 0.300 . 1 . . . . 76 CYS N . 11199 1 881 . 1 1 77 77 THR H H 1 8.673 0.030 . 1 . . . . 77 THR H . 11199 1 882 . 1 1 77 77 THR HA H 1 4.549 0.030 . 1 . . . . 77 THR HA . 11199 1 883 . 1 1 77 77 THR HB H 1 4.304 0.030 . 1 . . . . 77 THR HB . 11199 1 884 . 1 1 77 77 THR HG21 H 1 1.228 0.030 . 1 . . . . 77 THR HG2 . 11199 1 885 . 1 1 77 77 THR HG22 H 1 1.228 0.030 . 1 . . . . 77 THR HG2 . 11199 1 886 . 1 1 77 77 THR HG23 H 1 1.228 0.030 . 1 . . . . 77 THR HG2 . 11199 1 887 . 1 1 77 77 THR C C 13 173.231 0.300 . 1 . . . . 77 THR C . 11199 1 888 . 1 1 77 77 THR CA C 13 59.516 0.300 . 1 . . . . 77 THR CA . 11199 1 889 . 1 1 77 77 THR CB C 13 67.361 0.300 . 1 . . . . 77 THR CB . 11199 1 890 . 1 1 77 77 THR CG2 C 13 19.457 0.300 . 1 . . . . 77 THR CG2 . 11199 1 891 . 1 1 77 77 THR N N 15 116.568 0.300 . 1 . . . . 77 THR N . 11199 1 892 . 1 1 78 78 GLY H H 1 8.478 0.030 . 1 . . . . 78 GLY H . 11199 1 893 . 1 1 78 78 GLY HA2 H 1 4.144 0.030 . 2 . . . . 78 GLY HA2 . 11199 1 894 . 1 1 78 78 GLY HA3 H 1 3.906 0.030 . 2 . . . . 78 GLY HA3 . 11199 1 895 . 1 1 78 78 GLY C C 13 172.170 0.300 . 1 . . . . 78 GLY C . 11199 1 896 . 1 1 78 78 GLY CA C 13 43.883 0.300 . 1 . . . . 78 GLY CA . 11199 1 897 . 1 1 78 78 GLY N N 15 111.133 0.300 . 1 . . . . 78 GLY N . 11199 1 898 . 1 1 79 79 SER H H 1 8.030 0.030 . 1 . . . . 79 SER H . 11199 1 899 . 1 1 79 79 SER HA H 1 4.997 0.030 . 1 . . . . 79 SER HA . 11199 1 900 . 1 1 79 79 SER HB2 H 1 3.787 0.030 . 2 . . . . 79 SER HB2 . 11199 1 901 . 1 1 79 79 SER HB3 H 1 3.614 0.030 . 2 . . . . 79 SER HB3 . 11199 1 902 . 1 1 79 79 SER C C 13 169.775 0.300 . 1 . . . . 79 SER C . 11199 1 903 . 1 1 79 79 SER CA C 13 55.541 0.300 . 1 . . . . 79 SER CA . 11199 1 904 . 1 1 79 79 SER CB C 13 62.403 0.300 . 1 . . . . 79 SER CB . 11199 1 905 . 1 1 79 79 SER N N 15 116.885 0.300 . 1 . . . . 79 SER N . 11199 1 906 . 1 1 80 80 LEU H H 1 8.259 0.030 . 1 . . . . 80 LEU H . 11199 1 907 . 1 1 80 80 LEU HA H 1 4.351 0.030 . 1 . . . . 80 LEU HA . 11199 1 908 . 1 1 80 80 LEU HB2 H 1 0.434 0.030 . 2 . . . . 80 LEU HB2 . 11199 1 909 . 1 1 80 80 LEU HB3 H 1 -0.124 0.030 . 2 . . . . 80 LEU HB3 . 11199 1 910 . 1 1 80 80 LEU HD11 H 1 0.582 0.030 . 1 . . . . 80 LEU HD1 . 11199 1 911 . 1 1 80 80 LEU HD12 H 1 0.582 0.030 . 1 . . . . 80 LEU HD1 . 11199 1 912 . 1 1 80 80 LEU HD13 H 1 0.582 0.030 . 1 . . . . 80 LEU HD1 . 11199 1 913 . 1 1 80 80 LEU HD21 H 1 0.147 0.030 . 1 . . . . 80 LEU HD2 . 11199 1 914 . 1 1 80 80 LEU HD22 H 1 0.147 0.030 . 1 . . . . 80 LEU HD2 . 11199 1 915 . 1 1 80 80 LEU HD23 H 1 0.147 0.030 . 1 . . . . 80 LEU HD2 . 11199 1 916 . 1 1 80 80 LEU HG H 1 0.877 0.030 . 1 . . . . 80 LEU HG . 11199 1 917 . 1 1 80 80 LEU C C 13 171.542 0.300 . 1 . . . . 80 LEU C . 11199 1 918 . 1 1 80 80 LEU CA C 13 51.952 0.300 . 1 . . . . 80 LEU CA . 11199 1 919 . 1 1 80 80 LEU CB C 13 39.803 0.300 . 1 . . . . 80 LEU CB . 11199 1 920 . 1 1 80 80 LEU CD1 C 13 21.880 0.300 . 2 . . . . 80 LEU CD1 . 11199 1 921 . 1 1 80 80 LEU CD2 C 13 23.398 0.300 . 2 . . . . 80 LEU CD2 . 11199 1 922 . 1 1 80 80 LEU CG C 13 25.200 0.300 . 1 . . . . 80 LEU CG . 11199 1 923 . 1 1 80 80 LEU N N 15 124.608 0.300 . 1 . . . . 80 LEU N . 11199 1 924 . 1 1 81 81 ASN H H 1 8.558 0.030 . 1 . . . . 81 ASN H . 11199 1 925 . 1 1 81 81 ASN HA H 1 5.594 0.030 . 1 . . . . 81 ASN HA . 11199 1 926 . 1 1 81 81 ASN HB2 H 1 2.612 0.030 . 2 . . . . 81 ASN HB2 . 11199 1 927 . 1 1 81 81 ASN HB3 H 1 2.576 0.030 . 2 . . . . 81 ASN HB3 . 11199 1 928 . 1 1 81 81 ASN HD21 H 1 7.490 0.030 . 2 . . . . 81 ASN HD21 . 11199 1 929 . 1 1 81 81 ASN HD22 H 1 6.744 0.030 . 2 . . . . 81 ASN HD22 . 11199 1 930 . 1 1 81 81 ASN C C 13 172.375 0.300 . 1 . . . . 81 ASN C . 11199 1 931 . 1 1 81 81 ASN CA C 13 49.353 0.300 . 1 . . . . 81 ASN CA . 11199 1 932 . 1 1 81 81 ASN CB C 13 38.142 0.300 . 1 . . . . 81 ASN CB . 11199 1 933 . 1 1 81 81 ASN N N 15 126.619 0.300 . 1 . . . . 81 ASN N . 11199 1 934 . 1 1 81 81 ASN ND2 N 15 114.166 0.300 . 1 . . . . 81 ASN ND2 . 11199 1 935 . 1 1 82 82 MET H H 1 8.565 0.030 . 1 . . . . 82 MET H . 11199 1 936 . 1 1 82 82 MET HA H 1 5.092 0.030 . 1 . . . . 82 MET HA . 11199 1 937 . 1 1 82 82 MET HB2 H 1 1.899 0.030 . 2 . . . . 82 MET HB2 . 11199 1 938 . 1 1 82 82 MET HB3 H 1 1.615 0.030 . 2 . . . . 82 MET HB3 . 11199 1 939 . 1 1 82 82 MET HE1 H 1 1.159 0.030 . 1 . . . . 82 MET HE . 11199 1 940 . 1 1 82 82 MET HE2 H 1 1.159 0.030 . 1 . . . . 82 MET HE . 11199 1 941 . 1 1 82 82 MET HE3 H 1 1.159 0.030 . 1 . . . . 82 MET HE . 11199 1 942 . 1 1 82 82 MET HG2 H 1 2.331 0.030 . 2 . . . . 82 MET HG2 . 11199 1 943 . 1 1 82 82 MET HG3 H 1 2.054 0.030 . 2 . . . . 82 MET HG3 . 11199 1 944 . 1 1 82 82 MET C C 13 172.921 0.300 . 1 . . . . 82 MET C . 11199 1 945 . 1 1 82 82 MET CA C 13 52.595 0.300 . 1 . . . . 82 MET CA . 11199 1 946 . 1 1 82 82 MET CB C 13 36.452 0.300 . 1 . . . . 82 MET CB . 11199 1 947 . 1 1 82 82 MET CE C 13 13.355 0.300 . 1 . . . . 82 MET CE . 11199 1 948 . 1 1 82 82 MET CG C 13 29.945 0.300 . 1 . . . . 82 MET CG . 11199 1 949 . 1 1 82 82 MET N N 15 119.722 0.300 . 1 . . . . 82 MET N . 11199 1 950 . 1 1 83 83 THR H H 1 7.692 0.030 . 1 . . . . 83 THR H . 11199 1 951 . 1 1 83 83 THR HA H 1 4.965 0.030 . 1 . . . . 83 THR HA . 11199 1 952 . 1 1 83 83 THR HB H 1 4.019 0.030 . 1 . . . . 83 THR HB . 11199 1 953 . 1 1 83 83 THR HG21 H 1 1.039 0.030 . 1 . . . . 83 THR HG2 . 11199 1 954 . 1 1 83 83 THR HG22 H 1 1.039 0.030 . 1 . . . . 83 THR HG2 . 11199 1 955 . 1 1 83 83 THR HG23 H 1 1.039 0.030 . 1 . . . . 83 THR HG2 . 11199 1 956 . 1 1 83 83 THR C C 13 171.139 0.300 . 1 . . . . 83 THR C . 11199 1 957 . 1 1 83 83 THR CA C 13 58.945 0.300 . 1 . . . . 83 THR CA . 11199 1 958 . 1 1 83 83 THR CB C 13 67.786 0.300 . 1 . . . . 83 THR CB . 11199 1 959 . 1 1 83 83 THR CG2 C 13 19.873 0.300 . 1 . . . . 83 THR CG2 . 11199 1 960 . 1 1 83 83 THR N N 15 113.577 0.300 . 1 . . . . 83 THR N . 11199 1 961 . 1 1 84 84 LEU H H 1 8.751 0.030 . 1 . . . . 84 LEU H . 11199 1 962 . 1 1 84 84 LEU HA H 1 5.538 0.030 . 1 . . . . 84 LEU HA . 11199 1 963 . 1 1 84 84 LEU HB2 H 1 1.512 0.030 . 2 . . . . 84 LEU HB2 . 11199 1 964 . 1 1 84 84 LEU HB3 H 1 1.220 0.030 . 2 . . . . 84 LEU HB3 . 11199 1 965 . 1 1 84 84 LEU HD11 H 1 0.767 0.030 . 1 . . . . 84 LEU HD1 . 11199 1 966 . 1 1 84 84 LEU HD12 H 1 0.767 0.030 . 1 . . . . 84 LEU HD1 . 11199 1 967 . 1 1 84 84 LEU HD13 H 1 0.767 0.030 . 1 . . . . 84 LEU HD1 . 11199 1 968 . 1 1 84 84 LEU HD21 H 1 0.690 0.030 . 1 . . . . 84 LEU HD2 . 11199 1 969 . 1 1 84 84 LEU HD22 H 1 0.690 0.030 . 1 . . . . 84 LEU HD2 . 11199 1 970 . 1 1 84 84 LEU HD23 H 1 0.690 0.030 . 1 . . . . 84 LEU HD2 . 11199 1 971 . 1 1 84 84 LEU HG H 1 1.403 0.030 . 1 . . . . 84 LEU HG . 11199 1 972 . 1 1 84 84 LEU C C 13 173.525 0.300 . 1 . . . . 84 LEU C . 11199 1 973 . 1 1 84 84 LEU CA C 13 50.966 0.300 . 1 . . . . 84 LEU CA . 11199 1 974 . 1 1 84 84 LEU CB C 13 43.591 0.300 . 1 . . . . 84 LEU CB . 11199 1 975 . 1 1 84 84 LEU CD1 C 13 24.713 0.300 . 2 . . . . 84 LEU CD1 . 11199 1 976 . 1 1 84 84 LEU CD2 C 13 23.097 0.300 . 2 . . . . 84 LEU CD2 . 11199 1 977 . 1 1 84 84 LEU CG C 13 25.169 0.300 . 1 . . . . 84 LEU CG . 11199 1 978 . 1 1 84 84 LEU N N 15 124.257 0.300 . 1 . . . . 84 LEU N . 11199 1 979 . 1 1 85 85 GLN H H 1 9.398 0.030 . 1 . . . . 85 GLN H . 11199 1 980 . 1 1 85 85 GLN HA H 1 4.624 0.030 . 1 . . . . 85 GLN HA . 11199 1 981 . 1 1 85 85 GLN HB2 H 1 1.916 0.030 . 2 . . . . 85 GLN HB2 . 11199 1 982 . 1 1 85 85 GLN HB3 H 1 1.865 0.030 . 2 . . . . 85 GLN HB3 . 11199 1 983 . 1 1 85 85 GLN HE21 H 1 7.409 0.030 . 2 . . . . 85 GLN HE21 . 11199 1 984 . 1 1 85 85 GLN HE22 H 1 6.696 0.030 . 2 . . . . 85 GLN HE22 . 11199 1 985 . 1 1 85 85 GLN HG2 H 1 2.202 0.030 . 2 . . . . 85 GLN HG2 . 11199 1 986 . 1 1 85 85 GLN HG3 H 1 2.149 0.030 . 2 . . . . 85 GLN HG3 . 11199 1 987 . 1 1 85 85 GLN C C 13 172.275 0.300 . 1 . . . . 85 GLN C . 11199 1 988 . 1 1 85 85 GLN CA C 13 52.158 0.300 . 1 . . . . 85 GLN CA . 11199 1 989 . 1 1 85 85 GLN CB C 13 29.657 0.300 . 1 . . . . 85 GLN CB . 11199 1 990 . 1 1 85 85 GLN CG C 13 31.789 0.300 . 1 . . . . 85 GLN CG . 11199 1 991 . 1 1 85 85 GLN N N 15 122.320 0.300 . 1 . . . . 85 GLN N . 11199 1 992 . 1 1 85 85 GLN NE2 N 15 110.762 0.300 . 1 . . . . 85 GLN NE2 . 11199 1 993 . 1 1 86 86 ARG H H 1 8.545 0.030 . 1 . . . . 86 ARG H . 11199 1 994 . 1 1 86 86 ARG HA H 1 4.473 0.030 . 1 . . . . 86 ARG HA . 11199 1 995 . 1 1 86 86 ARG HB2 H 1 1.789 0.030 . 2 . . . . 86 ARG HB2 . 11199 1 996 . 1 1 86 86 ARG HB3 H 1 1.662 0.030 . 2 . . . . 86 ARG HB3 . 11199 1 997 . 1 1 86 86 ARG HD2 H 1 3.077 0.030 . 1 . . . . 86 ARG HD2 . 11199 1 998 . 1 1 86 86 ARG HD3 H 1 3.077 0.030 . 1 . . . . 86 ARG HD3 . 11199 1 999 . 1 1 86 86 ARG HE H 1 8.041 0.030 . 1 . . . . 86 ARG HE . 11199 1 1000 . 1 1 86 86 ARG HG2 H 1 1.594 0.030 . 1 . . . . 86 ARG HG2 . 11199 1 1001 . 1 1 86 86 ARG HG3 H 1 1.594 0.030 . 1 . . . . 86 ARG HG3 . 11199 1 1002 . 1 1 86 86 ARG C C 13 174.084 0.300 . 1 . . . . 86 ARG C . 11199 1 1003 . 1 1 86 86 ARG CA C 13 52.975 0.300 . 1 . . . . 86 ARG CA . 11199 1 1004 . 1 1 86 86 ARG CB C 13 29.215 0.300 . 1 . . . . 86 ARG CB . 11199 1 1005 . 1 1 86 86 ARG CD C 13 41.081 0.300 . 1 . . . . 86 ARG CD . 11199 1 1006 . 1 1 86 86 ARG CG C 13 24.292 0.300 . 1 . . . . 86 ARG CG . 11199 1 1007 . 1 1 86 86 ARG N N 15 126.469 0.300 . 1 . . . . 86 ARG N . 11199 1 1008 . 1 1 86 86 ARG NE N 15 84.846 0.300 . 1 . . . . 86 ARG NE . 11199 1 1009 . 1 1 87 87 ALA H H 1 8.691 0.030 . 1 . . . . 87 ALA H . 11199 1 1010 . 1 1 87 87 ALA HA H 1 4.219 0.030 . 1 . . . . 87 ALA HA . 11199 1 1011 . 1 1 87 87 ALA HB1 H 1 1.334 0.030 . 1 . . . . 87 ALA HB . 11199 1 1012 . 1 1 87 87 ALA HB2 H 1 1.334 0.030 . 1 . . . . 87 ALA HB . 11199 1 1013 . 1 1 87 87 ALA HB3 H 1 1.334 0.030 . 1 . . . . 87 ALA HB . 11199 1 1014 . 1 1 87 87 ALA C C 13 175.836 0.300 . 1 . . . . 87 ALA C . 11199 1 1015 . 1 1 87 87 ALA CA C 13 50.571 0.300 . 1 . . . . 87 ALA CA . 11199 1 1016 . 1 1 87 87 ALA CB C 13 16.767 0.300 . 1 . . . . 87 ALA CB . 11199 1 1017 . 1 1 87 87 ALA N N 15 126.889 0.300 . 1 . . . . 87 ALA N . 11199 1 1018 . 1 1 88 88 SER H H 1 8.313 0.030 . 1 . . . . 88 SER H . 11199 1 1019 . 1 1 88 88 SER HA H 1 4.317 0.030 . 1 . . . . 88 SER HA . 11199 1 1020 . 1 1 88 88 SER HB2 H 1 3.812 0.030 . 2 . . . . 88 SER HB2 . 11199 1 1021 . 1 1 88 88 SER HB3 H 1 3.771 0.030 . 2 . . . . 88 SER HB3 . 11199 1 1022 . 1 1 88 88 SER C C 13 172.111 0.300 . 1 . . . . 88 SER C . 11199 1 1023 . 1 1 88 88 SER CA C 13 55.997 0.300 . 1 . . . . 88 SER CA . 11199 1 1024 . 1 1 88 88 SER CB C 13 61.504 0.300 . 1 . . . . 88 SER CB . 11199 1 1025 . 1 1 88 88 SER N N 15 114.827 0.300 . 1 . . . . 88 SER N . 11199 1 1026 . 1 1 89 89 ALA H H 1 8.225 0.030 . 1 . . . . 89 ALA H . 11199 1 1027 . 1 1 89 89 ALA HA H 1 4.256 0.030 . 1 . . . . 89 ALA HA . 11199 1 1028 . 1 1 89 89 ALA HB1 H 1 1.333 0.030 . 1 . . . . 89 ALA HB . 11199 1 1029 . 1 1 89 89 ALA HB2 H 1 1.333 0.030 . 1 . . . . 89 ALA HB . 11199 1 1030 . 1 1 89 89 ALA HB3 H 1 1.333 0.030 . 1 . . . . 89 ALA HB . 11199 1 1031 . 1 1 89 89 ALA C C 13 175.075 0.300 . 1 . . . . 89 ALA C . 11199 1 1032 . 1 1 89 89 ALA CA C 13 50.282 0.300 . 1 . . . . 89 ALA CA . 11199 1 1033 . 1 1 89 89 ALA CB C 13 16.874 0.300 . 1 . . . . 89 ALA CB . 11199 1 1034 . 1 1 89 89 ALA N N 15 125.830 0.300 . 1 . . . . 89 ALA N . 11199 1 1035 . 1 1 90 90 ALA H H 1 8.084 0.030 . 1 . . . . 90 ALA H . 11199 1 1036 . 1 1 90 90 ALA HA H 1 4.202 0.030 . 1 . . . . 90 ALA HA . 11199 1 1037 . 1 1 90 90 ALA HB1 H 1 1.315 0.030 . 1 . . . . 90 ALA HB . 11199 1 1038 . 1 1 90 90 ALA HB2 H 1 1.315 0.030 . 1 . . . . 90 ALA HB . 11199 1 1039 . 1 1 90 90 ALA HB3 H 1 1.315 0.030 . 1 . . . . 90 ALA HB . 11199 1 1040 . 1 1 90 90 ALA C C 13 175.200 0.300 . 1 . . . . 90 ALA C . 11199 1 1041 . 1 1 90 90 ALA CA C 13 50.070 0.300 . 1 . . . . 90 ALA CA . 11199 1 1042 . 1 1 90 90 ALA CB C 13 16.735 0.300 . 1 . . . . 90 ALA CB . 11199 1 1043 . 1 1 90 90 ALA N N 15 122.764 0.300 . 1 . . . . 90 ALA N . 11199 1 1044 . 1 1 91 91 ALA H H 1 8.109 0.030 . 1 . . . . 91 ALA H . 11199 1 1045 . 1 1 91 91 ALA HA H 1 4.216 0.030 . 1 . . . . 91 ALA HA . 11199 1 1046 . 1 1 91 91 ALA HB1 H 1 1.316 0.030 . 1 . . . . 91 ALA HB . 11199 1 1047 . 1 1 91 91 ALA HB2 H 1 1.316 0.030 . 1 . . . . 91 ALA HB . 11199 1 1048 . 1 1 91 91 ALA HB3 H 1 1.316 0.030 . 1 . . . . 91 ALA HB . 11199 1 1049 . 1 1 91 91 ALA C C 13 175.362 0.300 . 1 . . . . 91 ALA C . 11199 1 1050 . 1 1 91 91 ALA CA C 13 50.091 0.300 . 1 . . . . 91 ALA CA . 11199 1 1051 . 1 1 91 91 ALA CB C 13 16.925 0.300 . 1 . . . . 91 ALA CB . 11199 1 1052 . 1 1 91 91 ALA N N 15 123.072 0.300 . 1 . . . . 91 ALA N . 11199 1 1053 . 1 1 92 92 LYS H H 1 8.185 0.030 . 1 . . . . 92 LYS H . 11199 1 1054 . 1 1 92 92 LYS HA H 1 4.273 0.030 . 1 . . . . 92 LYS HA . 11199 1 1055 . 1 1 92 92 LYS HB2 H 1 1.787 0.030 . 2 . . . . 92 LYS HB2 . 11199 1 1056 . 1 1 92 92 LYS HB3 H 1 1.698 0.030 . 2 . . . . 92 LYS HB3 . 11199 1 1057 . 1 1 92 92 LYS HD2 H 1 2.051 0.030 . 2 . . . . 92 LYS HD2 . 11199 1 1058 . 1 1 92 92 LYS HD3 H 1 1.945 0.030 . 2 . . . . 92 LYS HD3 . 11199 1 1059 . 1 1 92 92 LYS HE2 H 1 2.949 0.030 . 1 . . . . 92 LYS HE2 . 11199 1 1060 . 1 1 92 92 LYS HE3 H 1 2.949 0.030 . 1 . . . . 92 LYS HE3 . 11199 1 1061 . 1 1 92 92 LYS HG2 H 1 1.368 0.030 . 1 . . . . 92 LYS HG2 . 11199 1 1062 . 1 1 92 92 LYS HG3 H 1 1.368 0.030 . 1 . . . . 92 LYS HG3 . 11199 1 1063 . 1 1 92 92 LYS C C 13 174.137 0.300 . 1 . . . . 92 LYS C . 11199 1 1064 . 1 1 92 92 LYS CA C 13 53.809 0.300 . 1 . . . . 92 LYS CA . 11199 1 1065 . 1 1 92 92 LYS CB C 13 30.803 0.300 . 1 . . . . 92 LYS CB . 11199 1 1066 . 1 1 92 92 LYS CD C 13 26.929 0.300 . 1 . . . . 92 LYS CD . 11199 1 1067 . 1 1 92 92 LYS CE C 13 39.951 0.300 . 1 . . . . 92 LYS CE . 11199 1 1068 . 1 1 92 92 LYS CG C 13 22.385 0.300 . 1 . . . . 92 LYS CG . 11199 1 1069 . 1 1 92 92 LYS N N 15 120.302 0.300 . 1 . . . . 92 LYS N . 11199 1 1070 . 1 1 93 93 SER H H 1 8.227 0.030 . 1 . . . . 93 SER H . 11199 1 1071 . 1 1 93 93 SER HA H 1 4.398 0.030 . 1 . . . . 93 SER HA . 11199 1 1072 . 1 1 93 93 SER HB2 H 1 3.769 0.030 . 1 . . . . 93 SER HB2 . 11199 1 1073 . 1 1 93 93 SER HB3 H 1 3.769 0.030 . 1 . . . . 93 SER HB3 . 11199 1 1074 . 1 1 93 93 SER C C 13 171.697 0.300 . 1 . . . . 93 SER C . 11199 1 1075 . 1 1 93 93 SER CA C 13 55.762 0.300 . 1 . . . . 93 SER CA . 11199 1 1076 . 1 1 93 93 SER CB C 13 61.563 0.300 . 1 . . . . 93 SER CB . 11199 1 1077 . 1 1 93 93 SER N N 15 116.896 0.300 . 1 . . . . 93 SER N . 11199 1 1078 . 1 1 94 94 GLU H H 1 8.283 0.030 . 1 . . . . 94 GLU H . 11199 1 1079 . 1 1 94 94 GLU HA H 1 4.564 0.030 . 1 . . . . 94 GLU HA . 11199 1 1080 . 1 1 94 94 GLU HB2 H 1 1.978 0.030 . 2 . . . . 94 GLU HB2 . 11199 1 1081 . 1 1 94 94 GLU HB3 H 1 1.817 0.030 . 2 . . . . 94 GLU HB3 . 11199 1 1082 . 1 1 94 94 GLU HG2 H 1 2.232 0.030 . 1 . . . . 94 GLU HG2 . 11199 1 1083 . 1 1 94 94 GLU HG3 H 1 2.232 0.030 . 1 . . . . 94 GLU HG3 . 11199 1 1084 . 1 1 94 94 GLU C C 13 172.147 0.300 . 1 . . . . 94 GLU C . 11199 1 1085 . 1 1 94 94 GLU CA C 13 52.045 0.300 . 1 . . . . 94 GLU CA . 11199 1 1086 . 1 1 94 94 GLU CB C 13 27.512 0.300 . 1 . . . . 94 GLU CB . 11199 1 1087 . 1 1 94 94 GLU CG C 13 33.561 0.300 . 1 . . . . 94 GLU CG . 11199 1 1088 . 1 1 94 94 GLU N N 15 123.645 0.300 . 1 . . . . 94 GLU N . 11199 1 1089 . 1 1 95 95 PRO HA H 1 4.395 0.030 . 1 . . . . 95 PRO HA . 11199 1 1090 . 1 1 95 95 PRO HB2 H 1 2.219 0.030 . 2 . . . . 95 PRO HB2 . 11199 1 1091 . 1 1 95 95 PRO HB3 H 1 1.838 0.030 . 2 . . . . 95 PRO HB3 . 11199 1 1092 . 1 1 95 95 PRO HD2 H 1 3.740 0.030 . 2 . . . . 95 PRO HD2 . 11199 1 1093 . 1 1 95 95 PRO HD3 H 1 3.637 0.030 . 2 . . . . 95 PRO HD3 . 11199 1 1094 . 1 1 95 95 PRO HG2 H 1 1.970 0.030 . 2 . . . . 95 PRO HG2 . 11199 1 1095 . 1 1 95 95 PRO HG3 H 1 1.934 0.030 . 2 . . . . 95 PRO HG3 . 11199 1 1096 . 1 1 95 95 PRO C C 13 174.566 0.300 . 1 . . . . 95 PRO C . 11199 1 1097 . 1 1 95 95 PRO CA C 13 60.787 0.300 . 1 . . . . 95 PRO CA . 11199 1 1098 . 1 1 95 95 PRO CB C 13 29.733 0.300 . 1 . . . . 95 PRO CB . 11199 1 1099 . 1 1 95 95 PRO CD C 13 48.283 0.300 . 1 . . . . 95 PRO CD . 11199 1 1100 . 1 1 95 95 PRO CG C 13 25.103 0.300 . 1 . . . . 95 PRO CG . 11199 1 1101 . 1 1 96 96 VAL H H 1 8.207 0.030 . 1 . . . . 96 VAL H . 11199 1 1102 . 1 1 96 96 VAL HA H 1 4.060 0.030 . 1 . . . . 96 VAL HA . 11199 1 1103 . 1 1 96 96 VAL HB H 1 2.012 0.030 . 1 . . . . 96 VAL HB . 11199 1 1104 . 1 1 96 96 VAL HG11 H 1 0.903 0.030 . 1 . . . . 96 VAL HG1 . 11199 1 1105 . 1 1 96 96 VAL HG12 H 1 0.903 0.030 . 1 . . . . 96 VAL HG1 . 11199 1 1106 . 1 1 96 96 VAL HG13 H 1 0.903 0.030 . 1 . . . . 96 VAL HG1 . 11199 1 1107 . 1 1 96 96 VAL HG21 H 1 0.894 0.030 . 1 . . . . 96 VAL HG2 . 11199 1 1108 . 1 1 96 96 VAL HG22 H 1 0.894 0.030 . 1 . . . . 96 VAL HG2 . 11199 1 1109 . 1 1 96 96 VAL HG23 H 1 0.894 0.030 . 1 . . . . 96 VAL HG2 . 11199 1 1110 . 1 1 96 96 VAL C C 13 174.054 0.300 . 1 . . . . 96 VAL C . 11199 1 1111 . 1 1 96 96 VAL CA C 13 59.971 0.300 . 1 . . . . 96 VAL CA . 11199 1 1112 . 1 1 96 96 VAL CB C 13 30.575 0.300 . 1 . . . . 96 VAL CB . 11199 1 1113 . 1 1 96 96 VAL CG1 C 13 18.230 0.300 . 2 . . . . 96 VAL CG1 . 11199 1 1114 . 1 1 96 96 VAL CG2 C 13 18.846 0.300 . 2 . . . . 96 VAL CG2 . 11199 1 1115 . 1 1 96 96 VAL N N 15 120.074 0.300 . 1 . . . . 96 VAL N . 11199 1 1116 . 1 1 97 97 SER H H 1 8.361 0.030 . 1 . . . . 97 SER H . 11199 1 1117 . 1 1 97 97 SER HA H 1 4.464 0.030 . 1 . . . . 97 SER HA . 11199 1 1118 . 1 1 97 97 SER HB2 H 1 3.800 0.030 . 1 . . . . 97 SER HB2 . 11199 1 1119 . 1 1 97 97 SER HB3 H 1 3.800 0.030 . 1 . . . . 97 SER HB3 . 11199 1 1120 . 1 1 97 97 SER C C 13 172.190 0.300 . 1 . . . . 97 SER C . 11199 1 1121 . 1 1 97 97 SER CA C 13 55.718 0.300 . 1 . . . . 97 SER CA . 11199 1 1122 . 1 1 97 97 SER CB C 13 61.746 0.300 . 1 . . . . 97 SER CB . 11199 1 1123 . 1 1 97 97 SER N N 15 119.213 0.300 . 1 . . . . 97 SER N . 11199 1 1124 . 1 1 98 98 SER H H 1 8.331 0.030 . 1 . . . . 98 SER H . 11199 1 1125 . 1 1 98 98 SER HA H 1 4.460 0.030 . 1 . . . . 98 SER HA . 11199 1 1126 . 1 1 98 98 SER HB2 H 1 3.806 0.030 . 1 . . . . 98 SER HB2 . 11199 1 1127 . 1 1 98 98 SER HB3 H 1 3.806 0.030 . 1 . . . . 98 SER HB3 . 11199 1 1128 . 1 1 98 98 SER C C 13 172.168 0.300 . 1 . . . . 98 SER C . 11199 1 1129 . 1 1 98 98 SER CA C 13 55.792 0.300 . 1 . . . . 98 SER CA . 11199 1 1130 . 1 1 98 98 SER CB C 13 61.764 0.300 . 1 . . . . 98 SER CB . 11199 1 1131 . 1 1 98 98 SER N N 15 117.777 0.300 . 1 . . . . 98 SER N . 11199 1 1132 . 1 1 99 99 GLY H H 1 8.179 0.030 . 1 . . . . 99 GLY H . 11199 1 1133 . 1 1 99 99 GLY HA2 H 1 4.096 0.030 . 2 . . . . 99 GLY HA2 . 11199 1 1134 . 1 1 99 99 GLY HA3 H 1 4.054 0.030 . 2 . . . . 99 GLY HA3 . 11199 1 1135 . 1 1 99 99 GLY CA C 13 42.277 0.300 . 1 . . . . 99 GLY CA . 11199 1 1136 . 1 1 99 99 GLY N N 15 110.254 0.300 . 1 . . . . 99 GLY N . 11199 1 1137 . 1 1 100 100 PRO HA H 1 4.419 0.030 . 1 . . . . 100 PRO HA . 11199 1 1138 . 1 1 100 100 PRO HB2 H 1 2.218 0.030 . 2 . . . . 100 PRO HB2 . 11199 1 1139 . 1 1 100 100 PRO HB3 H 1 1.839 0.030 . 2 . . . . 100 PRO HB3 . 11199 1 1140 . 1 1 100 100 PRO HD2 H 1 3.568 0.030 . 1 . . . . 100 PRO HD2 . 11199 1 1141 . 1 1 100 100 PRO HD3 H 1 3.568 0.030 . 1 . . . . 100 PRO HD3 . 11199 1 1142 . 1 1 100 100 PRO HG2 H 1 1.949 0.030 . 1 . . . . 100 PRO HG2 . 11199 1 1143 . 1 1 100 100 PRO HG3 H 1 1.949 0.030 . 1 . . . . 100 PRO HG3 . 11199 1 1144 . 1 1 100 100 PRO C C 13 175.114 0.300 . 1 . . . . 100 PRO C . 11199 1 1145 . 1 1 100 100 PRO CA C 13 60.965 0.300 . 1 . . . . 100 PRO CA . 11199 1 1146 . 1 1 100 100 PRO CB C 13 29.733 0.300 . 1 . . . . 100 PRO CB . 11199 1 1147 . 1 1 100 100 PRO CD C 13 47.550 0.300 . 1 . . . . 100 PRO CD . 11199 1 1148 . 1 1 100 100 PRO CG C 13 24.839 0.300 . 1 . . . . 100 PRO CG . 11199 1 1149 . 1 1 101 101 SER H H 1 8.448 0.030 . 1 . . . . 101 SER H . 11199 1 1150 . 1 1 101 101 SER HA H 1 4.412 0.030 . 1 . . . . 101 SER HA . 11199 1 1151 . 1 1 101 101 SER HB2 H 1 3.842 0.030 . 1 . . . . 101 SER HB2 . 11199 1 1152 . 1 1 101 101 SER HB3 H 1 3.842 0.030 . 1 . . . . 101 SER HB3 . 11199 1 1153 . 1 1 101 101 SER C C 13 172.376 0.300 . 1 . . . . 101 SER C . 11199 1 1154 . 1 1 101 101 SER CA C 13 55.997 0.300 . 1 . . . . 101 SER CA . 11199 1 1155 . 1 1 101 101 SER CB C 13 61.538 0.300 . 1 . . . . 101 SER CB . 11199 1 1156 . 1 1 101 101 SER N N 15 116.094 0.300 . 1 . . . . 101 SER N . 11199 1 1157 . 1 1 102 102 SER H H 1 8.253 0.030 . 1 . . . . 102 SER H . 11199 1 1158 . 1 1 102 102 SER HA H 1 4.412 0.030 . 1 . . . . 102 SER HA . 11199 1 1159 . 1 1 102 102 SER HB2 H 1 3.800 0.030 . 1 . . . . 102 SER HB2 . 11199 1 1160 . 1 1 102 102 SER HB3 H 1 3.800 0.030 . 1 . . . . 102 SER HB3 . 11199 1 1161 . 1 1 102 102 SER C C 13 171.613 0.300 . 1 . . . . 102 SER C . 11199 1 1162 . 1 1 102 102 SER CA C 13 56.070 0.300 . 1 . . . . 102 SER CA . 11199 1 1163 . 1 1 102 102 SER CB C 13 61.781 0.300 . 1 . . . . 102 SER CB . 11199 1 1164 . 1 1 102 102 SER N N 15 117.493 0.300 . 1 . . . . 102 SER N . 11199 1 1165 . 1 1 103 103 GLY H H 1 7.965 0.030 . 1 . . . . 103 GLY H . 11199 1 1166 . 1 1 103 103 GLY HA2 H 1 3.744 0.030 . 2 . . . . 103 GLY HA2 . 11199 1 1167 . 1 1 103 103 GLY HA3 H 1 3.703 0.030 . 2 . . . . 103 GLY HA3 . 11199 1 1168 . 1 1 103 103 GLY C C 13 176.705 0.300 . 1 . . . . 103 GLY C . 11199 1 1169 . 1 1 103 103 GLY CA C 13 43.904 0.300 . 1 . . . . 103 GLY CA . 11199 1 1170 . 1 1 103 103 GLY N N 15 116.505 0.300 . 1 . . . . 103 GLY N . 11199 1 stop_ save_