data_15168 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15168 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for LARG PDZ domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-08 _Entry.Accession_date 2007-03-08 _Entry.Last_release_date 2008-06-27 _Entry.Original_release_date 2008-06-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Jiangxin Liu . . . 15168 2 Hongda Huang . . . 15168 3 Jihui Wu . . . 15168 4 Yunyu Shi . . . 15168 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Hefei National Laboratory for Physical Sciences at Microscale and School of Life Sciences' . 15168 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15168 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 297 15168 '15N chemical shifts' 84 15168 '1H chemical shifts' 528 15168 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 . . 2008-06-27 2007-03-08 original author . 15168 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15163 'LARG PDZ domain in complex with C-terminal octa-peptide of Plexin B1' 15168 PDB 2OMJ 'Entry containing atom coordinates for this domain' 15168 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15168 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18411422 _Citation.Full_citation . _Citation.Title 'Conformational change upon ligand binding and dynamics of the PDZ domain from leukemia-associated Rho guanine nucleotide exchange factor' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 1003 _Citation.Page_last 1014 _Citation.Year 2008 _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 Jiangxin Liu J. . . 15168 1 2 Jiahai Zhang J. . . 15168 1 3 Yinshan Yang Y. . . 15168 1 4 Hongda Huang H. . . 15168 1 5 Weiqun Shen W. . . 15168 1 6 Qi Hu Q. . . 15168 1 7 Xingsheng Wang X. . . 15168 1 8 Jihui Wu J. . . 15168 1 9 Yunyu Shi Y. . . 15168 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15168 _Assembly.ID 1 _Assembly.Name 'LARG PDZ domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9357 _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 'LARG PDZ domain' 1 $LARG_PDZ_domain A . yes native no no . . . 15168 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LARG_PDZ_domain _Entity.Sf_category entity _Entity.Sf_framecode LARG_PDZ_domain _Entity.Entry_ID 15168 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LARG_PDZ_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMGLVQRCVIIQKDDNGF GLTVSGDNPVFVQSVKEDGA AMRAGVQTGDRIIKVNGTLV THSNHLEVVKLIKSGSYVAL TVQGRPPGS ; _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 89 _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 BMRB 15163 . Rho_guanine_nucleotide_exchange_factor_12 . . . . . 100.00 89 100.00 100.00 4.69e-56 . . . . 15168 1 2 no PDB 2OMJ . "Solution Structure Of Larg Pdz Domain" . . . . . 100.00 89 100.00 100.00 4.69e-56 . . . . 15168 1 3 no PDB 2OS6 . "Solution Structure Of Larg Pdz Domain In Complex With C- Terminal Octa-Peptide Of Plexin B1" . . . . . 100.00 89 100.00 100.00 4.69e-56 . . . . 15168 1 4 no DBJ BAA20836 . "KIAA0382 protein [Homo sapiens]" . . . . . 53.93 1441 100.00 100.00 1.04e-21 . . . . 15168 1 5 no DBJ BAC65549 . "mKIAA0382 protein [Mus musculus]" . . . . . 95.51 1553 98.82 100.00 6.01e-48 . . . . 15168 1 6 no DBJ BAD89994 . "guanine nucleotide exchange factor [Bos taurus]" . . . . . 95.51 1544 100.00 100.00 4.38e-48 . . . . 15168 1 7 no DBJ BAG57923 . "unnamed protein product [Homo sapiens]" . . . . . 53.93 1078 100.00 100.00 8.17e-22 . . . . 15168 1 8 no DBJ BAG65168 . "unnamed protein product [Homo sapiens]" . . . . . 95.51 1278 100.00 100.00 3.09e-48 . . . . 15168 1 9 no GB AAF36817 . "guanine nucleotide exchange factor [Homo sapiens]" . . . . . 95.51 1544 100.00 100.00 4.38e-48 . . . . 15168 1 10 no GB AAH63117 . "ARHGEF12 protein, partial [Homo sapiens]" . . . . . 95.51 573 100.00 100.00 1.85e-49 . . . . 15168 1 11 no GB AAI52901 . "Rho guanine nucleotide exchange factor (GEF) 12, partial [synthetic construct]" . . . . . 95.51 1544 100.00 100.00 4.38e-48 . . . . 15168 1 12 no GB AAI56559 . "Rho guanine nucleotide exchange factor (GEF) 12, partial [synthetic construct]" . . . . . 95.51 1544 98.82 100.00 5.97e-48 . . . . 15168 1 13 no GB AAL87100 . "guanine nucleotide exchange factor [Mus musculus]" . . . . . 95.51 1543 98.82 100.00 5.97e-48 . . . . 15168 1 14 no REF NP_001013264 . "rho guanine nucleotide exchange factor 12 [Rattus norvegicus]" . . . . . 95.51 1546 98.82 100.00 6.28e-48 . . . . 15168 1 15 no REF NP_001116505 . "rho guanine nucleotide exchange factor 12 [Bos taurus]" . . . . . 95.51 1544 100.00 100.00 4.38e-48 . . . . 15168 1 16 no REF NP_001185594 . "rho guanine nucleotide exchange factor 12 isoform 2 [Homo sapiens]" . . . . . 95.51 1525 100.00 100.00 4.32e-48 . . . . 15168 1 17 no REF NP_001288013 . "rho guanine nucleotide exchange factor 12 isoform 3 [Homo sapiens]" . . . . . 53.93 1441 100.00 100.00 1.04e-21 . . . . 15168 1 18 no REF NP_056128 . "rho guanine nucleotide exchange factor 12 isoform 1 [Homo sapiens]" . . . . . 95.51 1544 100.00 100.00 4.38e-48 . . . . 15168 1 19 no SP Q8R4H2 . "RecName: Full=Rho guanine nucleotide exchange factor 12; AltName: Full=Leukemia-associated RhoGEF" . . . . . 95.51 1543 98.82 100.00 5.97e-48 . . . . 15168 1 20 no SP Q9NZN5 . "RecName: Full=Rho guanine nucleotide exchange factor 12; AltName: Full=Leukemia-associated RhoGEF" . . . . . 95.51 1544 100.00 100.00 4.38e-48 . . . . 15168 1 21 no TPG DAA22316 . "TPA: Rho guanine nucleotide exchange factor (GEF) 12-like [Bos taurus]" . . . . . 95.51 1543 100.00 100.00 4.59e-48 . . . . 15168 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 . 15168 1 2 . SER . 15168 1 3 . HIS . 15168 1 4 . MET . 15168 1 5 . GLY . 15168 1 6 . LEU . 15168 1 7 . VAL . 15168 1 8 . GLN . 15168 1 9 . ARG . 15168 1 10 . CYS . 15168 1 11 . VAL . 15168 1 12 . ILE . 15168 1 13 . ILE . 15168 1 14 . GLN . 15168 1 15 . LYS . 15168 1 16 . ASP . 15168 1 17 . ASP . 15168 1 18 . ASN . 15168 1 19 . GLY . 15168 1 20 . PHE . 15168 1 21 . GLY . 15168 1 22 . LEU . 15168 1 23 . THR . 15168 1 24 . VAL . 15168 1 25 . SER . 15168 1 26 . GLY . 15168 1 27 . ASP . 15168 1 28 . ASN . 15168 1 29 . PRO . 15168 1 30 . VAL . 15168 1 31 . PHE . 15168 1 32 . VAL . 15168 1 33 . GLN . 15168 1 34 . SER . 15168 1 35 . VAL . 15168 1 36 . LYS . 15168 1 37 . GLU . 15168 1 38 . ASP . 15168 1 39 . GLY . 15168 1 40 . ALA . 15168 1 41 . ALA . 15168 1 42 . MET . 15168 1 43 . ARG . 15168 1 44 . ALA . 15168 1 45 . GLY . 15168 1 46 . VAL . 15168 1 47 . GLN . 15168 1 48 . THR . 15168 1 49 . GLY . 15168 1 50 . ASP . 15168 1 51 . ARG . 15168 1 52 . ILE . 15168 1 53 . ILE . 15168 1 54 . LYS . 15168 1 55 . VAL . 15168 1 56 . ASN . 15168 1 57 . GLY . 15168 1 58 . THR . 15168 1 59 . LEU . 15168 1 60 . VAL . 15168 1 61 . THR . 15168 1 62 . HIS . 15168 1 63 . SER . 15168 1 64 . ASN . 15168 1 65 . HIS . 15168 1 66 . LEU . 15168 1 67 . GLU . 15168 1 68 . VAL . 15168 1 69 . VAL . 15168 1 70 . LYS . 15168 1 71 . LEU . 15168 1 72 . ILE . 15168 1 73 . LYS . 15168 1 74 . SER . 15168 1 75 . GLY . 15168 1 76 . SER . 15168 1 77 . TYR . 15168 1 78 . VAL . 15168 1 79 . ALA . 15168 1 80 . LEU . 15168 1 81 . THR . 15168 1 82 . VAL . 15168 1 83 . GLN . 15168 1 84 . GLY . 15168 1 85 . ARG . 15168 1 86 . PRO . 15168 1 87 . PRO . 15168 1 88 . GLY . 15168 1 89 . SER . 15168 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 15168 1 . SER 2 2 15168 1 . HIS 3 3 15168 1 . MET 4 4 15168 1 . GLY 5 5 15168 1 . LEU 6 6 15168 1 . VAL 7 7 15168 1 . GLN 8 8 15168 1 . ARG 9 9 15168 1 . CYS 10 10 15168 1 . VAL 11 11 15168 1 . ILE 12 12 15168 1 . ILE 13 13 15168 1 . GLN 14 14 15168 1 . LYS 15 15 15168 1 . ASP 16 16 15168 1 . ASP 17 17 15168 1 . ASN 18 18 15168 1 . GLY 19 19 15168 1 . PHE 20 20 15168 1 . GLY 21 21 15168 1 . LEU 22 22 15168 1 . THR 23 23 15168 1 . VAL 24 24 15168 1 . SER 25 25 15168 1 . GLY 26 26 15168 1 . ASP 27 27 15168 1 . ASN 28 28 15168 1 . PRO 29 29 15168 1 . VAL 30 30 15168 1 . PHE 31 31 15168 1 . VAL 32 32 15168 1 . GLN 33 33 15168 1 . SER 34 34 15168 1 . VAL 35 35 15168 1 . LYS 36 36 15168 1 . GLU 37 37 15168 1 . ASP 38 38 15168 1 . GLY 39 39 15168 1 . ALA 40 40 15168 1 . ALA 41 41 15168 1 . MET 42 42 15168 1 . ARG 43 43 15168 1 . ALA 44 44 15168 1 . GLY 45 45 15168 1 . VAL 46 46 15168 1 . GLN 47 47 15168 1 . THR 48 48 15168 1 . GLY 49 49 15168 1 . ASP 50 50 15168 1 . ARG 51 51 15168 1 . ILE 52 52 15168 1 . ILE 53 53 15168 1 . LYS 54 54 15168 1 . VAL 55 55 15168 1 . ASN 56 56 15168 1 . GLY 57 57 15168 1 . THR 58 58 15168 1 . LEU 59 59 15168 1 . VAL 60 60 15168 1 . THR 61 61 15168 1 . HIS 62 62 15168 1 . SER 63 63 15168 1 . ASN 64 64 15168 1 . HIS 65 65 15168 1 . LEU 66 66 15168 1 . GLU 67 67 15168 1 . VAL 68 68 15168 1 . VAL 69 69 15168 1 . LYS 70 70 15168 1 . LEU 71 71 15168 1 . ILE 72 72 15168 1 . LYS 73 73 15168 1 . SER 74 74 15168 1 . GLY 75 75 15168 1 . SER 76 76 15168 1 . TYR 77 77 15168 1 . VAL 78 78 15168 1 . ALA 79 79 15168 1 . LEU 80 80 15168 1 . THR 81 81 15168 1 . VAL 82 82 15168 1 . GLN 83 83 15168 1 . GLY 84 84 15168 1 . ARG 85 85 15168 1 . PRO 86 86 15168 1 . PRO 87 87 15168 1 . GLY 88 88 15168 1 . SER 89 89 15168 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 15168 _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 $LARG_PDZ_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15168 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 15168 _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 $LARG_PDZ_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET15b (+)' . . . . . . 15168 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_LARG_PDZ_domain-1 _Sample.Sf_category sample _Sample.Sf_framecode LARG_PDZ_domain-1 _Sample.Entry_ID 15168 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'LARG PDZ domain' '[U-100% 13C; U-100% 15N]' . . 1 $LARG_PDZ_domain . . . 0.9 1.3 mM . . . . 15168 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15168 1 3 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 15168 1 4 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 15168 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15168 1 stop_ save_ save_LARG_PDZ_domain-2 _Sample.Sf_category sample _Sample.Sf_framecode LARG_PDZ_domain-2 _Sample.Entry_ID 15168 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'LARG PDZ domain' '[U-100% 13C; U-100% 15N]' . . 1 $LARG_PDZ_domain . . 1.3 . . mM . . . . 15168 2 2 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 15168 2 3 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 15168 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15168 2 5 D2O '[U-100% 2H]' . . . . . . 99.9 . . % . . . . 15168 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15168 _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' 50 . mM 15168 1 pH 6.0 . pH 15168 1 pressure 1 . atm 15168 1 temperature 293 . K 15168 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15168 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15168 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15168 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15168 _Software.ID 2 _Software.Name NMRPipe _Software.Version NMRPipe2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15168 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15168 2 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 15168 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15168 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15168 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 500 . . . 15168 1 2 spectrometer_2 Bruker DMX . 600 . . . 15168 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 15168 _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 CBCA(CO)NH' no . . . . . . . . . . 1 $LARG_PDZ_domain-1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15168 1 2 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $LARG_PDZ_domain-1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15168 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $LARG_PDZ_domain-2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15168 1 4 '3D HCCH-COSY' no . . . . . . . . . . 2 $LARG_PDZ_domain-2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15168 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $LARG_PDZ_domain-1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15168 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $LARG_PDZ_domain-1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15168 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical-shift-reference-1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical-shift-reference-1 _Chem_shift_reference.Entry_ID 15168 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 . indirect 0.251449530 . . . . . . . . . 15168 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 15168 1 N 15 DSS 'methyl protons' . . . . ppm 0 . indirect 0.101329118 . . . . . . . . . 15168 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15168 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical-shift-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 CBCA(CO)NH' . . . 15168 1 2 '3D HBHA(CO)NH' . . . 15168 1 3 '3D HCCH-TOCSY' . . . 15168 1 4 '3D HCCH-COSY' . . . 15168 1 5 '3D C(CO)NH' . . . 15168 1 6 '3D H(CCO)NH' . . . 15168 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 3 3 HIS CA C 13 55.907 0.1 . 1 . . . . 3 H CA . 15168 1 2 . 1 1 3 3 HIS CB C 13 29.82 0.1 . 1 . . . . 3 H CB . 15168 1 3 . 1 1 4 4 MET H H 1 8.449 0.01 . 1 . . . . 4 M HN . 15168 1 4 . 1 1 4 4 MET HA H 1 4.351 0.01 . 1 . . . . 4 M HA . 15168 1 5 . 1 1 4 4 MET HB2 H 1 1.899 0.01 . 1 . . . . 4 M HB2 . 15168 1 6 . 1 1 4 4 MET HB3 H 1 2.002 0.01 . 1 . . . . 4 M HB3 . 15168 1 7 . 1 1 4 4 MET HG2 H 1 2.422 0.01 . 1 . . . . 4 M HG# . 15168 1 8 . 1 1 4 4 MET HG3 H 1 2.422 0.01 . 1 . . . . 4 M HG# . 15168 1 9 . 1 1 4 4 MET C C 13 176.418 0.1 . 1 . . . . 4 M CO . 15168 1 10 . 1 1 4 4 MET CA C 13 55.73 0.1 . 1 . . . . 4 M CA . 15168 1 11 . 1 1 4 4 MET CB C 13 32.193 0.1 . 1 . . . . 4 M CB . 15168 1 12 . 1 1 4 4 MET N N 15 121.745 0.1 . 1 . . . . 4 M N . 15168 1 13 . 1 1 5 5 GLY H H 1 8.438 0.01 . 1 . . . . 5 G HN . 15168 1 14 . 1 1 5 5 GLY HA2 H 1 3.834 0.01 . 1 . . . . 5 G HA# . 15168 1 15 . 1 1 5 5 GLY HA3 H 1 3.834 0.01 . 1 . . . . 5 G HA# . 15168 1 16 . 1 1 5 5 GLY C C 13 173.529 0.1 . 1 . . . . 5 G CO . 15168 1 17 . 1 1 5 5 GLY CA C 13 45.29 0.1 . 1 . . . . 5 G CA . 15168 1 18 . 1 1 5 5 GLY N N 15 109.927 0.1 . 1 . . . . 5 G N . 15168 1 19 . 1 1 6 6 LEU H H 1 7.983 0.01 . 1 . . . . 6 L HN . 15168 1 20 . 1 1 6 6 LEU HA H 1 4.37 0.01 . 1 . . . . 6 L HA . 15168 1 21 . 1 1 6 6 LEU HB2 H 1 1.274 0.01 . 1 . . . . 6 L HB2 . 15168 1 22 . 1 1 6 6 LEU HB3 H 1 1.552 0.01 . 1 . . . . 6 L HB3 . 15168 1 23 . 1 1 6 6 LEU HG H 1 1.506 0.01 . 1 . . . . 6 L HG . 15168 1 24 . 1 1 6 6 LEU HD11 H 1 0.763 0.01 . 1 . . . . 6 L HD1# . 15168 1 25 . 1 1 6 6 LEU HD12 H 1 0.763 0.01 . 1 . . . . 6 L HD1# . 15168 1 26 . 1 1 6 6 LEU HD13 H 1 0.763 0.01 . 1 . . . . 6 L HD1# . 15168 1 27 . 1 1 6 6 LEU HD21 H 1 0.679 0.01 . 1 . . . . 6 L HD2# . 15168 1 28 . 1 1 6 6 LEU HD22 H 1 0.679 0.01 . 1 . . . . 6 L HD2# . 15168 1 29 . 1 1 6 6 LEU HD23 H 1 0.679 0.01 . 1 . . . . 6 L HD2# . 15168 1 30 . 1 1 6 6 LEU C C 13 177.087 0.1 . 1 . . . . 6 L CO . 15168 1 31 . 1 1 6 6 LEU CA C 13 54.563 0.1 . 1 . . . . 6 L CA . 15168 1 32 . 1 1 6 6 LEU CB C 13 42.828 0.1 . 1 . . . . 6 L CB . 15168 1 33 . 1 1 6 6 LEU CG C 13 26.394 0.1 . 1 . . . . 6 L CG . 15168 1 34 . 1 1 6 6 LEU CD1 C 13 25.227 0.1 . 1 . . . . 6 L CD1 . 15168 1 35 . 1 1 6 6 LEU CD2 C 13 22.88 0.1 . 1 . . . . 6 L CD2 . 15168 1 36 . 1 1 6 6 LEU N N 15 120.181 0.1 . 1 . . . . 6 L N . 15168 1 37 . 1 1 7 7 VAL H H 1 8.576 0.01 . 1 . . . . 7 V HN . 15168 1 38 . 1 1 7 7 VAL HA H 1 4.273 0.01 . 1 . . . . 7 V HA . 15168 1 39 . 1 1 7 7 VAL HB H 1 1.962 0.01 . 1 . . . . 7 V HB . 15168 1 40 . 1 1 7 7 VAL HG11 H 1 0.837 0.01 . 1 . . . . 7 V HG1# . 15168 1 41 . 1 1 7 7 VAL HG12 H 1 0.837 0.01 . 1 . . . . 7 V HG1# . 15168 1 42 . 1 1 7 7 VAL HG13 H 1 0.837 0.01 . 1 . . . . 7 V HG1# . 15168 1 43 . 1 1 7 7 VAL HG21 H 1 0.572 0.01 . 1 . . . . 7 V HG2# . 15168 1 44 . 1 1 7 7 VAL HG22 H 1 0.572 0.01 . 1 . . . . 7 V HG2# . 15168 1 45 . 1 1 7 7 VAL HG23 H 1 0.572 0.01 . 1 . . . . 7 V HG2# . 15168 1 46 . 1 1 7 7 VAL C C 13 175.262 0.1 . 1 . . . . 7 V CO . 15168 1 47 . 1 1 7 7 VAL CA C 13 61.33 0.1 . 1 . . . . 7 V CA . 15168 1 48 . 1 1 7 7 VAL CB C 13 33.933 0.1 . 1 . . . . 7 V CB . 15168 1 49 . 1 1 7 7 VAL CG1 C 13 21.006 0.1 . 1 . . . . 7 V CG# . 15168 1 50 . 1 1 7 7 VAL CG2 C 13 21.006 0.1 . 1 . . . . 7 V CG# . 15168 1 51 . 1 1 7 7 VAL N N 15 119.649 0.1 . 1 . . . . 7 V N . 15168 1 52 . 1 1 8 8 GLN H H 1 8.586 0.01 . 1 . . . . 8 Q HN . 15168 1 53 . 1 1 8 8 GLN HA H 1 5.209 0.01 . 1 . . . . 8 Q HA . 15168 1 54 . 1 1 8 8 GLN HB2 H 1 1.832 0.01 . 1 . . . . 8 Q HB# . 15168 1 55 . 1 1 8 8 GLN HB3 H 1 1.832 0.01 . 1 . . . . 8 Q HB# . 15168 1 56 . 1 1 8 8 GLN HG2 H 1 2.026 0.01 . 1 . . . . 8 Q HG2 . 15168 1 57 . 1 1 8 8 GLN HG3 H 1 2.142 0.01 . 1 . . . . 8 Q HG3 . 15168 1 58 . 1 1 8 8 GLN HE21 H 1 6.727 0.01 . 1 . . . . 8 Q HE21 . 15168 1 59 . 1 1 8 8 GLN HE22 H 1 7.398 0.01 . 1 . . . . 8 Q HE22 . 15168 1 60 . 1 1 8 8 GLN C C 13 175.71 0.1 . 1 . . . . 8 Q CO . 15168 1 61 . 1 1 8 8 GLN CA C 13 54.82 0.1 . 1 . . . . 8 Q CA . 15168 1 62 . 1 1 8 8 GLN CB C 13 30.659 0.1 . 1 . . . . 8 Q CB . 15168 1 63 . 1 1 8 8 GLN CG C 13 34.656 0.1 . 1 . . . . 8 Q CG . 15168 1 64 . 1 1 8 8 GLN N N 15 124.728 0.1 . 1 . . . . 8 Q N . 15168 1 65 . 1 1 8 8 GLN NE2 N 15 110.761 0.1 . 1 . . . . 8 Q NE2 . 15168 1 66 . 1 1 9 9 ARG H H 1 8.983 0.01 . 1 . . . . 9 R HN . 15168 1 67 . 1 1 9 9 ARG HA H 1 4.667 0.01 . 1 . . . . 9 R HA . 15168 1 68 . 1 1 9 9 ARG HB2 H 1 1.585 0.01 . 1 . . . . 9 R HB# . 15168 1 69 . 1 1 9 9 ARG HB3 H 1 1.585 0.01 . 1 . . . . 9 R HB# . 15168 1 70 . 1 1 9 9 ARG HG2 H 1 1.242 0.01 . 1 . . . . 9 R HG# . 15168 1 71 . 1 1 9 9 ARG HG3 H 1 1.242 0.01 . 1 . . . . 9 R HG# . 15168 1 72 . 1 1 9 9 ARG HD2 H 1 2.944 0.01 . 1 . . . . 9 R HD2 . 15168 1 73 . 1 1 9 9 ARG HD3 H 1 3.052 0.01 . 1 . . . . 9 R HD3 . 15168 1 74 . 1 1 9 9 ARG HE H 1 7.466 0.01 . 1 . . . . 9 R HE . 15168 1 75 . 1 1 9 9 ARG C C 13 173.494 0.1 . 1 . . . . 9 R CO . 15168 1 76 . 1 1 9 9 ARG CA C 13 54.585 0.1 . 1 . . . . 9 R CA . 15168 1 77 . 1 1 9 9 ARG CB C 13 32.629 0.1 . 1 . . . . 9 R CB . 15168 1 78 . 1 1 9 9 ARG CG C 13 26.424 0.1 . 1 . . . . 9 R CG . 15168 1 79 . 1 1 9 9 ARG CD C 13 43.019 0.1 . 1 . . . . 9 R CD . 15168 1 80 . 1 1 9 9 ARG N N 15 122.531 0.1 . 1 . . . . 9 R N . 15168 1 81 . 1 1 9 9 ARG NE N 15 120.697 0.1 . 1 . . . . 9 R NE . 15168 1 82 . 1 1 10 10 CYS H H 1 8.756 0.01 . 1 . . . . 10 C HN . 15168 1 83 . 1 1 10 10 CYS HA H 1 5.247 0.01 . 1 . . . . 10 C HA . 15168 1 84 . 1 1 10 10 CYS HB2 H 1 2.636 0.01 . 1 . . . . 10 C HB2 . 15168 1 85 . 1 1 10 10 CYS HB3 H 1 2.799 0.01 . 1 . . . . 10 C HB3 . 15168 1 86 . 1 1 10 10 CYS C C 13 174.466 0.1 . 1 . . . . 10 C CO . 15168 1 87 . 1 1 10 10 CYS CA C 13 57.576 0.1 . 1 . . . . 10 C CA . 15168 1 88 . 1 1 10 10 CYS CB C 13 27.871 0.1 . 1 . . . . 10 C CB . 15168 1 89 . 1 1 10 10 CYS N N 15 122.054 0.1 . 1 . . . . 10 C N . 15168 1 90 . 1 1 11 11 VAL H H 1 9.066 0.01 . 1 . . . . 11 V HN . 15168 1 91 . 1 1 11 11 VAL HA H 1 4.546 0.01 . 1 . . . . 11 V HA . 15168 1 92 . 1 1 11 11 VAL HB H 1 1.916 0.01 . 1 . . . . 11 V HB . 15168 1 93 . 1 1 11 11 VAL HG11 H 1 0.746 0.01 . 1 . . . . 11 V HG1# . 15168 1 94 . 1 1 11 11 VAL HG12 H 1 0.746 0.01 . 1 . . . . 11 V HG1# . 15168 1 95 . 1 1 11 11 VAL HG13 H 1 0.746 0.01 . 1 . . . . 11 V HG1# . 15168 1 96 . 1 1 11 11 VAL HG21 H 1 0.697 0.01 . 1 . . . . 11 V HG2# . 15168 1 97 . 1 1 11 11 VAL HG22 H 1 0.697 0.01 . 1 . . . . 11 V HG2# . 15168 1 98 . 1 1 11 11 VAL HG23 H 1 0.697 0.01 . 1 . . . . 11 V HG2# . 15168 1 99 . 1 1 11 11 VAL C C 13 174.072 0.1 . 1 . . . . 11 V CO . 15168 1 100 . 1 1 11 11 VAL CA C 13 59.884 0.1 . 1 . . . . 11 V CA . 15168 1 101 . 1 1 11 11 VAL CB C 13 34.778 0.1 . 1 . . . . 11 V CB . 15168 1 102 . 1 1 11 11 VAL CG1 C 13 22.033 0.1 . 1 . . . . 11 V CG1 . 15168 1 103 . 1 1 11 11 VAL CG2 C 13 20.022 0.1 . 1 . . . . 11 V CG2 . 15168 1 104 . 1 1 11 11 VAL N N 15 124.737 0.1 . 1 . . . . 11 V N . 15168 1 105 . 1 1 12 12 ILE H H 1 8.637 0.01 . 1 . . . . 12 I HN . 15168 1 106 . 1 1 12 12 ILE HA H 1 4.908 0.01 . 1 . . . . 12 I HA . 15168 1 107 . 1 1 12 12 ILE HB H 1 1.732 0.01 . 1 . . . . 12 I HB . 15168 1 108 . 1 1 12 12 ILE HG12 H 1 1.062 0.01 . 1 . . . . 12 I HG12 . 15168 1 109 . 1 1 12 12 ILE HG13 H 1 1.405 0.01 . 1 . . . . 12 I HG13 . 15168 1 110 . 1 1 12 12 ILE HG21 H 1 0.695 0.01 . 1 . . . . 12 I HG2# . 15168 1 111 . 1 1 12 12 ILE HG22 H 1 0.695 0.01 . 1 . . . . 12 I HG2# . 15168 1 112 . 1 1 12 12 ILE HG23 H 1 0.695 0.01 . 1 . . . . 12 I HG2# . 15168 1 113 . 1 1 12 12 ILE HD11 H 1 0.723 0.01 . 1 . . . . 12 I HD1# . 15168 1 114 . 1 1 12 12 ILE HD12 H 1 0.723 0.01 . 1 . . . . 12 I HD1# . 15168 1 115 . 1 1 12 12 ILE HD13 H 1 0.723 0.01 . 1 . . . . 12 I HD1# . 15168 1 116 . 1 1 12 12 ILE C C 13 175.521 0.1 . 1 . . . . 12 I CO . 15168 1 117 . 1 1 12 12 ILE CA C 13 59.806 0.1 . 1 . . . . 12 I CA . 15168 1 118 . 1 1 12 12 ILE CB C 13 38.421 0.1 . 1 . . . . 12 I CB . 15168 1 119 . 1 1 12 12 ILE CG2 C 13 17.807 0.1 . 1 . . . . 12 I CG2 . 15168 1 120 . 1 1 12 12 ILE CD1 C 13 12.652 0.1 . 1 . . . . 12 I CD1 . 15168 1 121 . 1 1 12 12 ILE N N 15 125.992 0.1 . 1 . . . . 12 I N . 15168 1 122 . 1 1 13 13 ILE H H 1 9.021 0.01 . 1 . . . . 13 I HN . 15168 1 123 . 1 1 13 13 ILE HA H 1 4.306 0.01 . 1 . . . . 13 I HA . 15168 1 124 . 1 1 13 13 ILE HB H 1 1.728 0.01 . 1 . . . . 13 I HB . 15168 1 125 . 1 1 13 13 ILE HG12 H 1 1.474 0.01 . 1 . . . . 13 I HG1# . 15168 1 126 . 1 1 13 13 ILE HG13 H 1 1.474 0.01 . 1 . . . . 13 I HG1# . 15168 1 127 . 1 1 13 13 ILE HG21 H 1 0.857 0.01 . 1 . . . . 13 I HG2# . 15168 1 128 . 1 1 13 13 ILE HG22 H 1 0.857 0.01 . 1 . . . . 13 I HG2# . 15168 1 129 . 1 1 13 13 ILE HG23 H 1 0.857 0.01 . 1 . . . . 13 I HG2# . 15168 1 130 . 1 1 13 13 ILE HD11 H 1 0.605 0.01 . 1 . . . . 13 I HD1# . 15168 1 131 . 1 1 13 13 ILE HD12 H 1 0.605 0.01 . 1 . . . . 13 I HD1# . 15168 1 132 . 1 1 13 13 ILE HD13 H 1 0.605 0.01 . 1 . . . . 13 I HD1# . 15168 1 133 . 1 1 13 13 ILE C C 13 175.143 0.1 . 1 . . . . 13 I CO . 15168 1 134 . 1 1 13 13 ILE CA C 13 60.369 0.1 . 1 . . . . 13 I CA . 15168 1 135 . 1 1 13 13 ILE CB C 13 39.998 0.1 . 1 . . . . 13 I CB . 15168 1 136 . 1 1 13 13 ILE CG1 C 13 26.88 0.1 . 1 . . . . 13 I CG1 . 15168 1 137 . 1 1 13 13 ILE CG2 C 13 19.982 0.1 . 1 . . . . 13 I CG2 . 15168 1 138 . 1 1 13 13 ILE CD1 C 13 15.222 0.1 . 1 . . . . 13 I CD1 . 15168 1 139 . 1 1 13 13 ILE N N 15 125.438 0.1 . 1 . . . . 13 I N . 15168 1 140 . 1 1 14 14 GLN H H 1 8.687 0.01 . 1 . . . . 14 Q HN . 15168 1 141 . 1 1 14 14 GLN HA H 1 4.668 0.01 . 1 . . . . 14 Q HA . 15168 1 142 . 1 1 14 14 GLN HB2 H 1 1.836 0.01 . 1 . . . . 14 Q HB2 . 15168 1 143 . 1 1 14 14 GLN HB3 H 1 2.004 0.01 . 1 . . . . 14 Q HB3 . 15168 1 144 . 1 1 14 14 GLN HG2 H 1 2.219 0.01 . 1 . . . . 14 Q HG2 . 15168 1 145 . 1 1 14 14 GLN HG3 H 1 2.071 0.01 . 1 . . . . 14 Q HG3 . 15168 1 146 . 1 1 14 14 GLN HE21 H 1 6.651 0.01 . 1 . . . . 14 Q HE2# . 15168 1 147 . 1 1 14 14 GLN HE22 H 1 6.651 0.01 . 1 . . . . 14 Q HE2# . 15168 1 148 . 1 1 14 14 GLN C C 13 175.015 0.1 . 1 . . . . 14 Q CO . 15168 1 149 . 1 1 14 14 GLN CA C 13 54.159 0.1 . 1 . . . . 14 Q CA . 15168 1 150 . 1 1 14 14 GLN CB C 13 29.443 0.1 . 1 . . . . 14 Q CB . 15168 1 151 . 1 1 14 14 GLN CG C 13 33.099 0.1 . 1 . . . . 14 Q CG . 15168 1 152 . 1 1 14 14 GLN N N 15 127.421 0.1 . 1 . . . . 14 Q N . 15168 1 153 . 1 1 14 14 GLN NE2 N 15 111.62 0.1 . 1 . . . . 14 Q NE2 . 15168 1 154 . 1 1 15 15 LYS H H 1 7.924 0.01 . 1 . . . . 15 K HN . 15168 1 155 . 1 1 15 15 LYS HA H 1 3.29 0.01 . 1 . . . . 15 K HA . 15168 1 156 . 1 1 15 15 LYS HB2 H 1 0.711 0.01 . 1 . . . . 15 K HB2 . 15168 1 157 . 1 1 15 15 LYS HB3 H 1 0.921 0.01 . 1 . . . . 15 K HB3 . 15168 1 158 . 1 1 15 15 LYS HG2 H 1 0.472 0.01 . 1 . . . . 15 K HG2 . 15168 1 159 . 1 1 15 15 LYS HG3 H 1 1.118 0.01 . 1 . . . . 15 K HG3 . 15168 1 160 . 1 1 15 15 LYS HD2 H 1 1.334 0.01 . 1 . . . . 15 K HD2 . 15168 1 161 . 1 1 15 15 LYS HD3 H 1 1.302 0.01 . 1 . . . . 15 K HD3 . 15168 1 162 . 1 1 15 15 LYS HE2 H 1 2.711 0.01 . 1 . . . . 15 K HE# . 15168 1 163 . 1 1 15 15 LYS HE3 H 1 2.711 0.01 . 1 . . . . 15 K HE# . 15168 1 164 . 1 1 15 15 LYS C C 13 176.084 0.1 . 1 . . . . 15 K CO . 15168 1 165 . 1 1 15 15 LYS CA C 13 57.481 0.1 . 1 . . . . 15 K CA . 15168 1 166 . 1 1 15 15 LYS CB C 13 32.051 0.1 . 1 . . . . 15 K CB . 15168 1 167 . 1 1 15 15 LYS CG C 13 23.668 0.1 . 1 . . . . 15 K CG . 15168 1 168 . 1 1 15 15 LYS CD C 13 29.667 0.1 . 1 . . . . 15 K CD . 15168 1 169 . 1 1 15 15 LYS CE C 13 41.682 0.1 . 1 . . . . 15 K CE . 15168 1 170 . 1 1 15 15 LYS N N 15 124.285 0.1 . 1 . . . . 15 K N . 15168 1 171 . 1 1 16 16 ASP H H 1 7.552 0.01 . 1 . . . . 16 D HN . 15168 1 172 . 1 1 16 16 ASP HA H 1 4.825 0.01 . 1 . . . . 16 D HA . 15168 1 173 . 1 1 16 16 ASP HB2 H 1 2.637 0.01 . 1 . . . . 16 D HB2 . 15168 1 174 . 1 1 16 16 ASP HB3 H 1 3.152 0.01 . 1 . . . . 16 D HB3 . 15168 1 175 . 1 1 16 16 ASP C C 13 177.805 0.1 . 1 . . . . 16 D CO . 15168 1 176 . 1 1 16 16 ASP CA C 13 52.387 0.1 . 1 . . . . 16 D CA . 15168 1 177 . 1 1 16 16 ASP CB C 13 41.802 0.1 . 1 . . . . 16 D CB . 15168 1 178 . 1 1 16 16 ASP N N 15 123.516 0.1 . 1 . . . . 16 D N . 15168 1 179 . 1 1 17 17 ASP H H 1 8.522 0.01 . 1 . . . . 17 D HN . 15168 1 180 . 1 1 17 17 ASP HA H 1 4.237 0.01 . 1 . . . . 17 D HA . 15168 1 181 . 1 1 17 17 ASP HB2 H 1 2.476 0.01 . 1 . . . . 17 D HB2 . 15168 1 182 . 1 1 17 17 ASP HB3 H 1 2.598 0.01 . 1 . . . . 17 D HB3 . 15168 1 183 . 1 1 17 17 ASP C C 13 177.045 0.1 . 1 . . . . 17 D CO . 15168 1 184 . 1 1 17 17 ASP CA C 13 57.237 0.1 . 1 . . . . 17 D CA . 15168 1 185 . 1 1 17 17 ASP CB C 13 40.066 0.1 . 1 . . . . 17 D CB . 15168 1 186 . 1 1 17 17 ASP N N 15 118.976 0.1 . 1 . . . . 17 D N . 15168 1 187 . 1 1 18 18 ASN H H 1 8.648 0.01 . 1 . . . . 18 N HN . 15168 1 188 . 1 1 18 18 ASN HA H 1 4.797 0.01 . 1 . . . . 18 N HA . 15168 1 189 . 1 1 18 18 ASN HB2 H 1 2.729 0.01 . 1 . . . . 18 N HB2 . 15168 1 190 . 1 1 18 18 ASN HB3 H 1 2.813 0.01 . 1 . . . . 18 N HB3 . 15168 1 191 . 1 1 18 18 ASN HD21 H 1 6.945 0.01 . 1 . . . . 18 N HD21 . 15168 1 192 . 1 1 18 18 ASN HD22 H 1 7.914 0.01 . 1 . . . . 18 N HD22 . 15168 1 193 . 1 1 18 18 ASN C C 13 175.216 0.1 . 1 . . . . 18 N CO . 15168 1 194 . 1 1 18 18 ASN CA C 13 52.908 0.1 . 1 . . . . 18 N CA . 15168 1 195 . 1 1 18 18 ASN CB C 13 39.333 0.1 . 1 . . . . 18 N CB . 15168 1 196 . 1 1 18 18 ASN N N 15 115.377 0.1 . 1 . . . . 18 N N . 15168 1 197 . 1 1 18 18 ASN ND2 N 15 115.15 0.1 . 1 . . . . 18 N ND2 . 15168 1 198 . 1 1 19 19 GLY H H 1 7.894 0.01 . 1 . . . . 19 G HN . 15168 1 199 . 1 1 19 19 GLY HA2 H 1 3.366 0.01 . 1 . . . . 19 G HA2 . 15168 1 200 . 1 1 19 19 GLY HA3 H 1 4.508 0.01 . 1 . . . . 19 G HA3 . 15168 1 201 . 1 1 19 19 GLY C C 13 174.677 0.1 . 1 . . . . 19 G CO . 15168 1 202 . 1 1 19 19 GLY CA C 13 45.127 0.1 . 1 . . . . 19 G CA . 15168 1 203 . 1 1 19 19 GLY N N 15 108.727 0.1 . 1 . . . . 19 G N . 15168 1 204 . 1 1 20 20 PHE H H 1 9.462 0.01 . 1 . . . . 20 F HN . 15168 1 205 . 1 1 20 20 PHE HA H 1 4.259 0.01 . 1 . . . . 20 F HA . 15168 1 206 . 1 1 20 20 PHE HB2 H 1 2.857 0.01 . 1 . . . . 20 F HB# . 15168 1 207 . 1 1 20 20 PHE HB3 H 1 2.857 0.01 . 1 . . . . 20 F HB# . 15168 1 208 . 1 1 20 20 PHE HD1 H 1 6.979 0.01 . 1 . . . . 20 F HD# . 15168 1 209 . 1 1 20 20 PHE HD2 H 1 6.979 0.01 . 1 . . . . 20 F HD# . 15168 1 210 . 1 1 20 20 PHE HE1 H 1 7.195 0.01 . 1 . . . . 20 F HE# . 15168 1 211 . 1 1 20 20 PHE HE2 H 1 7.195 0.01 . 1 . . . . 20 F HE# . 15168 1 212 . 1 1 20 20 PHE C C 13 176.37 0.1 . 1 . . . . 20 F CO . 15168 1 213 . 1 1 20 20 PHE CA C 13 60.904 0.1 . 1 . . . . 20 F CA . 15168 1 214 . 1 1 20 20 PHE CB C 13 39.727 0.1 . 1 . . . . 20 F CB . 15168 1 215 . 1 1 20 20 PHE N N 15 121.723 0.1 . 1 . . . . 20 F N . 15168 1 216 . 1 1 21 21 GLY H H 1 8.816 0.01 . 1 . . . . 21 G HN . 15168 1 217 . 1 1 21 21 GLY HA2 H 1 3.85 0.01 . 1 . . . . 21 G HA2 . 15168 1 218 . 1 1 21 21 GLY HA3 H 1 3.976 0.01 . 1 . . . . 21 G HA3 . 15168 1 219 . 1 1 21 21 GLY C C 13 174.905 0.1 . 1 . . . . 21 G CO . 15168 1 220 . 1 1 21 21 GLY CA C 13 47.188 0.1 . 1 . . . . 21 G CA . 15168 1 221 . 1 1 21 21 GLY N N 15 106.218 0.1 . 1 . . . . 21 G N . 15168 1 222 . 1 1 22 22 LEU H H 1 7.62 0.01 . 1 . . . . 22 L HN . 15168 1 223 . 1 1 22 22 LEU HA H 1 5.201 0.01 . 1 . . . . 22 L HA . 15168 1 224 . 1 1 22 22 LEU HB2 H 1 1.329 0.01 . 1 . . . . 22 L HB2 . 15168 1 225 . 1 1 22 22 LEU HB3 H 1 1.764 0.01 . 1 . . . . 22 L HB3 . 15168 1 226 . 1 1 22 22 LEU HG H 1 1.784 0.01 . 1 . . . . 22 L HG . 15168 1 227 . 1 1 22 22 LEU HD11 H 1 0.632 0.01 . 1 . . . . 22 L HD1# . 15168 1 228 . 1 1 22 22 LEU HD12 H 1 0.632 0.01 . 1 . . . . 22 L HD1# . 15168 1 229 . 1 1 22 22 LEU HD13 H 1 0.632 0.01 . 1 . . . . 22 L HD1# . 15168 1 230 . 1 1 22 22 LEU HD21 H 1 0.526 0.01 . 1 . . . . 22 L HD2# . 15168 1 231 . 1 1 22 22 LEU HD22 H 1 0.526 0.01 . 1 . . . . 22 L HD2# . 15168 1 232 . 1 1 22 22 LEU HD23 H 1 0.526 0.01 . 1 . . . . 22 L HD2# . 15168 1 233 . 1 1 22 22 LEU C C 13 174.23 0.1 . 1 . . . . 22 L CO . 15168 1 234 . 1 1 22 22 LEU CA C 13 54.704 0.1 . 1 . . . . 22 L CA . 15168 1 235 . 1 1 22 22 LEU CB C 13 44.368 0.1 . 1 . . . . 22 L CB . 15168 1 236 . 1 1 22 22 LEU CD1 C 13 26.061 0.1 . 1 . . . . 22 L CD1 . 15168 1 237 . 1 1 22 22 LEU N N 15 119.112 0.1 . 1 . . . . 22 L N . 15168 1 238 . 1 1 23 23 THR H H 1 8.415 0.01 . 1 . . . . 23 T HN . 15168 1 239 . 1 1 23 23 THR HA H 1 4.701 0.01 . 1 . . . . 23 T HA . 15168 1 240 . 1 1 23 23 THR HB H 1 4.115 0.01 . 1 . . . . 23 T HB . 15168 1 241 . 1 1 23 23 THR HG21 H 1 1.092 0.01 . 1 . . . . 23 T HG2# . 15168 1 242 . 1 1 23 23 THR HG22 H 1 1.092 0.01 . 1 . . . . 23 T HG2# . 15168 1 243 . 1 1 23 23 THR HG23 H 1 1.092 0.01 . 1 . . . . 23 T HG2# . 15168 1 244 . 1 1 23 23 THR C C 13 174.138 0.1 . 1 . . . . 23 T CO . 15168 1 245 . 1 1 23 23 THR CA C 13 60.712 0.1 . 1 . . . . 23 T CA . 15168 1 246 . 1 1 23 23 THR CB C 13 71.155 0.1 . 1 . . . . 23 T CB . 15168 1 247 . 1 1 23 23 THR CG2 C 13 21.537 0.1 . 1 . . . . 23 T CG2 . 15168 1 248 . 1 1 23 23 THR N N 15 114.866 0.1 . 1 . . . . 23 T N . 15168 1 249 . 1 1 24 24 VAL H H 1 8.859 0.01 . 1 . . . . 24 V HN . 15168 1 250 . 1 1 24 24 VAL HA H 1 5.106 0.01 . 1 . . . . 24 V HA . 15168 1 251 . 1 1 24 24 VAL HB H 1 1.956 0.01 . 1 . . . . 24 V HB . 15168 1 252 . 1 1 24 24 VAL HG11 H 1 0.678 0.01 . 1 . . . . 24 V HG1# . 15168 1 253 . 1 1 24 24 VAL HG12 H 1 0.678 0.01 . 1 . . . . 24 V HG1# . 15168 1 254 . 1 1 24 24 VAL HG13 H 1 0.678 0.01 . 1 . . . . 24 V HG1# . 15168 1 255 . 1 1 24 24 VAL HG21 H 1 0.561 0.01 . 1 . . . . 24 V HG2# . 15168 1 256 . 1 1 24 24 VAL HG22 H 1 0.561 0.01 . 1 . . . . 24 V HG2# . 15168 1 257 . 1 1 24 24 VAL HG23 H 1 0.561 0.01 . 1 . . . . 24 V HG2# . 15168 1 258 . 1 1 24 24 VAL C C 13 174.144 0.1 . 1 . . . . 24 V CO . 15168 1 259 . 1 1 24 24 VAL CA C 13 59.252 0.1 . 1 . . . . 24 V CA . 15168 1 260 . 1 1 24 24 VAL CB C 13 33.83 0.1 . 1 . . . . 24 V CB . 15168 1 261 . 1 1 24 24 VAL CG1 C 13 19.513 0.1 . 1 . . . . 24 V CG1 . 15168 1 262 . 1 1 24 24 VAL CG2 C 13 21.786 0.1 . 1 . . . . 24 V CG2 . 15168 1 263 . 1 1 24 24 VAL N N 15 118.197 0.1 . 1 . . . . 24 V N . 15168 1 264 . 1 1 25 25 SER H H 1 8.753 0.01 . 1 . . . . 25 S HN . 15168 1 265 . 1 1 25 25 SER HA H 1 3.955 0.01 . 1 . . . . 25 S HA . 15168 1 266 . 1 1 25 25 SER HB2 H 1 3.057 0.01 . 1 . . . . 25 S HB# . 15168 1 267 . 1 1 25 25 SER HB3 H 1 3.057 0.01 . 1 . . . . 25 S HB# . 15168 1 268 . 1 1 25 25 SER C C 13 172.027 0.1 . 1 . . . . 25 S CO . 15168 1 269 . 1 1 25 25 SER CA C 13 57.04 0.1 . 1 . . . . 25 S CA . 15168 1 270 . 1 1 25 25 SER CB C 13 65.02 0.1 . 1 . . . . 25 S CB . 15168 1 271 . 1 1 25 25 SER N N 15 115.376 0.1 . 1 . . . . 25 S N . 15168 1 272 . 1 1 26 26 GLY H H 1 7.875 0.01 . 1 . . . . 26 G HN . 15168 1 273 . 1 1 26 26 GLY HA2 H 1 3.725 0.01 . 1 . . . . 26 G HA2 . 15168 1 274 . 1 1 26 26 GLY HA3 H 1 3.995 0.01 . 1 . . . . 26 G HA3 . 15168 1 275 . 1 1 26 26 GLY C C 13 171.783 0.1 . 1 . . . . 26 G CO . 15168 1 276 . 1 1 26 26 GLY CA C 13 44.906 0.1 . 1 . . . . 26 G CA . 15168 1 277 . 1 1 26 26 GLY N N 15 107.855 0.1 . 1 . . . . 26 G N . 15168 1 278 . 1 1 30 30 VAL HA H 1 4.044 0.01 . 1 . . . . 30 V HA . 15168 1 279 . 1 1 30 30 VAL HB H 1 1.786 0.01 . 1 . . . . 30 V HB . 15168 1 280 . 1 1 30 30 VAL HG11 H 1 0.764 0.01 . 1 . . . . 30 V HG* . 15168 1 281 . 1 1 30 30 VAL HG12 H 1 0.764 0.01 . 1 . . . . 30 V HG* . 15168 1 282 . 1 1 30 30 VAL HG13 H 1 0.764 0.01 . 1 . . . . 30 V HG* . 15168 1 283 . 1 1 30 30 VAL HG21 H 1 0.764 0.01 . 1 . . . . 30 V HG* . 15168 1 284 . 1 1 30 30 VAL HG22 H 1 0.764 0.01 . 1 . . . . 30 V HG* . 15168 1 285 . 1 1 30 30 VAL HG23 H 1 0.764 0.01 . 1 . . . . 30 V HG* . 15168 1 286 . 1 1 30 30 VAL CA C 13 61.531 0.1 . 1 . . . . 30 V CA . 15168 1 287 . 1 1 30 30 VAL CB C 13 32.094 0.1 . 1 . . . . 30 V CB . 15168 1 288 . 1 1 30 30 VAL CG1 C 13 22.056 0.1 . 1 . . . . 30 V CG# . 15168 1 289 . 1 1 30 30 VAL CG2 C 13 22.056 0.1 . 1 . . . . 30 V CG# . 15168 1 290 . 1 1 31 31 PHE H H 1 8.747 0.01 . 1 . . . . 31 F HN . 15168 1 291 . 1 1 31 31 PHE HA H 1 5.46 0.01 . 1 . . . . 31 F HA . 15168 1 292 . 1 1 31 31 PHE HB2 H 1 2.646 0.01 . 1 . . . . 31 F HB# . 15168 1 293 . 1 1 31 31 PHE HB3 H 1 2.646 0.01 . 1 . . . . 31 F HB# . 15168 1 294 . 1 1 31 31 PHE HD1 H 1 6.986 0.01 . 1 . . . . 31 F HD# . 15168 1 295 . 1 1 31 31 PHE HD2 H 1 6.986 0.01 . 1 . . . . 31 F HD# . 15168 1 296 . 1 1 31 31 PHE HE1 H 1 7.196 0.01 . 1 . . . . 31 F HE# . 15168 1 297 . 1 1 31 31 PHE HE2 H 1 7.196 0.01 . 1 . . . . 31 F HE# . 15168 1 298 . 1 1 31 31 PHE C C 13 174.796 0.1 . 1 . . . . 31 F CO . 15168 1 299 . 1 1 31 31 PHE CA C 13 55.145 0.1 . 1 . . . . 31 F CA . 15168 1 300 . 1 1 31 31 PHE CB C 13 43.415 0.1 . 1 . . . . 31 F CB . 15168 1 301 . 1 1 31 31 PHE N N 15 121.902 0.1 . 1 . . . . 31 F N . 15168 1 302 . 1 1 32 32 VAL H H 1 9.059 0.01 . 1 . . . . 32 V HN . 15168 1 303 . 1 1 32 32 VAL HA H 1 3.881 0.01 . 1 . . . . 32 V HA . 15168 1 304 . 1 1 32 32 VAL HB H 1 2.239 0.01 . 1 . . . . 32 V HB . 15168 1 305 . 1 1 32 32 VAL HG11 H 1 0.732 0.01 . 1 . . . . 32 V HG1# . 15168 1 306 . 1 1 32 32 VAL HG12 H 1 0.732 0.01 . 1 . . . . 32 V HG1# . 15168 1 307 . 1 1 32 32 VAL HG13 H 1 0.732 0.01 . 1 . . . . 32 V HG1# . 15168 1 308 . 1 1 32 32 VAL HG21 H 1 0.683 0.01 . 1 . . . . 32 V HG2# . 15168 1 309 . 1 1 32 32 VAL HG22 H 1 0.683 0.01 . 1 . . . . 32 V HG2# . 15168 1 310 . 1 1 32 32 VAL HG23 H 1 0.683 0.01 . 1 . . . . 32 V HG2# . 15168 1 311 . 1 1 32 32 VAL C C 13 175.367 0.1 . 1 . . . . 32 V CO . 15168 1 312 . 1 1 32 32 VAL CA C 13 63.634 0.1 . 1 . . . . 32 V CA . 15168 1 313 . 1 1 32 32 VAL CB C 13 31.093 0.1 . 1 . . . . 32 V CB . 15168 1 314 . 1 1 32 32 VAL CG1 C 13 21.324 0.1 . 1 . . . . 32 V CG1 . 15168 1 315 . 1 1 32 32 VAL CG2 C 13 23.545 0.1 . 1 . . . . 32 V CG2 . 15168 1 316 . 1 1 32 32 VAL N N 15 118.94 0.1 . 1 . . . . 32 V N . 15168 1 317 . 1 1 33 33 GLN H H 1 9.025 0.01 . 1 . . . . 33 Q HN . 15168 1 318 . 1 1 33 33 GLN HA H 1 4.194 0.01 . 1 . . . . 33 Q HA . 15168 1 319 . 1 1 33 33 GLN HB2 H 1 1.639 0.01 . 1 . . . . 33 Q HB# . 15168 1 320 . 1 1 33 33 GLN HB3 H 1 1.639 0.01 . 1 . . . . 33 Q HB# . 15168 1 321 . 1 1 33 33 GLN HG2 H 1 2.148 0.01 . 1 . . . . 33 Q HG2 . 15168 1 322 . 1 1 33 33 GLN HG3 H 1 2.23 0.01 . 1 . . . . 33 Q HG3 . 15168 1 323 . 1 1 33 33 GLN HE21 H 1 6.78 0.01 . 1 . . . . 33 Q HE21 . 15168 1 324 . 1 1 33 33 GLN HE22 H 1 7.479 0.01 . 1 . . . . 33 Q HE22 . 15168 1 325 . 1 1 33 33 GLN C C 13 175.035 0.1 . 1 . . . . 33 Q CO . 15168 1 326 . 1 1 33 33 GLN CA C 13 57.075 0.1 . 1 . . . . 33 Q CA . 15168 1 327 . 1 1 33 33 GLN CB C 13 29.838 0.1 . 1 . . . . 33 Q CB . 15168 1 328 . 1 1 33 33 GLN CG C 13 33.473 0.1 . 1 . . . . 33 Q CG . 15168 1 329 . 1 1 33 33 GLN N N 15 134.083 0.01 . 1 . . . . 33 Q N . 15168 1 330 . 1 1 33 33 GLN NE2 N 15 112.004 0.1 . 1 . . . . 33 Q NE2 . 15168 1 331 . 1 1 34 34 SER H H 1 7.618 0.01 . 1 . . . . 34 S HN . 15168 1 332 . 1 1 34 34 SER HA H 1 4.55 0.01 . 1 . . . . 34 S HA . 15168 1 333 . 1 1 34 34 SER HB2 H 1 3.663 0.01 . 1 . . . . 34 S HB# . 15168 1 334 . 1 1 34 34 SER HB3 H 1 3.663 0.01 . 1 . . . . 34 S HB# . 15168 1 335 . 1 1 34 34 SER C C 13 171.59 0.1 . 1 . . . . 34 S CO . 15168 1 336 . 1 1 34 34 SER CA C 13 57.603 0.1 . 1 . . . . 34 S CA . 15168 1 337 . 1 1 34 34 SER CB C 13 65.271 0.1 . 1 . . . . 34 S CB . 15168 1 338 . 1 1 34 34 SER N N 15 110.395 0.1 . 1 . . . . 34 S N . 15168 1 339 . 1 1 35 35 VAL H H 1 7.959 0.01 . 1 . . . . 35 V HN . 15168 1 340 . 1 1 35 35 VAL HA H 1 4.504 0.01 . 1 . . . . 35 V HA . 15168 1 341 . 1 1 35 35 VAL HB H 1 1.824 0.01 . 1 . . . . 35 V HB . 15168 1 342 . 1 1 35 35 VAL HG11 H 1 0.714 0.01 . 1 . . . . 35 V HG1# . 15168 1 343 . 1 1 35 35 VAL HG12 H 1 0.714 0.01 . 1 . . . . 35 V HG1# . 15168 1 344 . 1 1 35 35 VAL HG13 H 1 0.714 0.01 . 1 . . . . 35 V HG1# . 15168 1 345 . 1 1 35 35 VAL HG21 H 1 0.659 0.01 . 1 . . . . 35 V HG2# . 15168 1 346 . 1 1 35 35 VAL HG22 H 1 0.659 0.01 . 1 . . . . 35 V HG2# . 15168 1 347 . 1 1 35 35 VAL HG23 H 1 0.659 0.01 . 1 . . . . 35 V HG2# . 15168 1 348 . 1 1 35 35 VAL C C 13 174.999 0.1 . 1 . . . . 35 V CO . 15168 1 349 . 1 1 35 35 VAL CA C 13 60.388 0.1 . 1 . . . . 35 V CA . 15168 1 350 . 1 1 35 35 VAL CB C 13 34.576 0.1 . 1 . . . . 35 V CB . 15168 1 351 . 1 1 35 35 VAL CG1 C 13 22.705 0.1 . 1 . . . . 35 V CG1 . 15168 1 352 . 1 1 35 35 VAL CG2 C 13 20.844 0.1 . 1 . . . . 35 V CG2 . 15168 1 353 . 1 1 35 35 VAL N N 15 117.058 0.1 . 1 . . . . 35 V N . 15168 1 354 . 1 1 36 36 LYS H H 1 7.617 0.01 . 1 . . . . 36 K HN . 15168 1 355 . 1 1 36 36 LYS HA H 1 4.05 0.01 . 1 . . . . 36 K HA . 15168 1 356 . 1 1 36 36 LYS HB2 H 1 1.638 0.01 . 1 . . . . 36 K HB# . 15168 1 357 . 1 1 36 36 LYS HB3 H 1 1.638 0.01 . 1 . . . . 36 K HB# . 15168 1 358 . 1 1 36 36 LYS HG2 H 1 1.379 0.01 . 1 . . . . 36 K HG# . 15168 1 359 . 1 1 36 36 LYS HG3 H 1 1.379 0.01 . 1 . . . . 36 K HG# . 15168 1 360 . 1 1 36 36 LYS HE2 H 1 2.899 0.01 . 1 . . . . 36 K HE# . 15168 1 361 . 1 1 36 36 LYS HE3 H 1 2.899 0.01 . 1 . . . . 36 K HE# . 15168 1 362 . 1 1 36 36 LYS C C 13 178.274 0.1 . 1 . . . . 36 K CO . 15168 1 363 . 1 1 36 36 LYS CA C 13 56.105 0.1 . 1 . . . . 36 K CA . 15168 1 364 . 1 1 36 36 LYS CB C 13 33.047 0.1 . 1 . . . . 36 K CB . 15168 1 365 . 1 1 36 36 LYS CG C 13 24.26 0.1 . 1 . . . . 36 K CG . 15168 1 366 . 1 1 36 36 LYS CD C 13 28.703 0.1 . 1 . . . . 36 K CD . 15168 1 367 . 1 1 36 36 LYS CE C 13 42.103 0.1 . 1 . . . . 36 K CE . 15168 1 368 . 1 1 36 36 LYS N N 15 126.603 0.1 . 1 . . . . 36 K N . 15168 1 369 . 1 1 37 37 GLU H H 1 9.317 0.01 . 1 . . . . 37 E HN . 15168 1 370 . 1 1 37 37 GLU HA H 1 3.995 0.01 . 1 . . . . 37 E HA . 15168 1 371 . 1 1 37 37 GLU HB2 H 1 1.887 0.01 . 1 . . . . 37 E HB2 . 15168 1 372 . 1 1 37 37 GLU HB3 H 1 1.968 0.01 . 1 . . . . 37 E HB3 . 15168 1 373 . 1 1 37 37 GLU HG2 H 1 2.193 0.01 . 1 . . . . 37 E HG2 . 15168 1 374 . 1 1 37 37 GLU HG3 H 1 2.231 0.01 . 1 . . . . 37 E HG3 . 15168 1 375 . 1 1 37 37 GLU C C 13 176.432 0.1 . 1 . . . . 37 E CO . 15168 1 376 . 1 1 37 37 GLU CA C 13 59.015 0.1 . 1 . . . . 37 E CA . 15168 1 377 . 1 1 37 37 GLU CB C 13 29.089 0.1 . 1 . . . . 37 E CB . 15168 1 378 . 1 1 37 37 GLU CG C 13 35.693 0.1 . 1 . . . . 37 E CG . 15168 1 379 . 1 1 37 37 GLU N N 15 130.469 0.1 . 1 . . . . 37 E N . 15168 1 380 . 1 1 38 38 ASP H H 1 8.642 0.01 . 1 . . . . 38 D HN . 15168 1 381 . 1 1 38 38 ASP HA H 1 4.415 0.01 . 1 . . . . 38 D HA . 15168 1 382 . 1 1 38 38 ASP HB2 H 1 2.683 0.01 . 1 . . . . 38 D HB2 . 15168 1 383 . 1 1 38 38 ASP HB3 H 1 2.864 0.01 . 1 . . . . 38 D HB3 . 15168 1 384 . 1 1 38 38 ASP C C 13 175.68 0.1 . 1 . . . . 38 D CO . 15168 1 385 . 1 1 38 38 ASP CA C 13 55.587 0.1 . 1 . . . . 38 D CA . 15168 1 386 . 1 1 38 38 ASP CB C 13 40.259 0.1 . 1 . . . . 38 D CB . 15168 1 387 . 1 1 38 38 ASP N N 15 122.877 0.1 . 1 . . . . 38 D N . 15168 1 388 . 1 1 39 39 GLY H H 1 7.632 0.01 . 1 . . . . 39 G HN . 15168 1 389 . 1 1 39 39 GLY HA2 H 1 3.81 0.01 . 1 . . . . 39 G HA2 . 15168 1 390 . 1 1 39 39 GLY HA3 H 1 4.331 0.01 . 1 . . . . 39 G HA3 . 15168 1 391 . 1 1 39 39 GLY C C 13 174.062 0.1 . 1 . . . . 39 G CO . 15168 1 392 . 1 1 39 39 GLY CA C 13 44.663 0.1 . 1 . . . . 39 G CA . 15168 1 393 . 1 1 39 39 GLY N N 15 105.111 0.1 . 1 . . . . 39 G N . 15168 1 394 . 1 1 40 40 ALA H H 1 8.771 0.01 . 1 . . . . 40 A HN . 15168 1 395 . 1 1 40 40 ALA HA H 1 3.837 0.01 . 1 . . . . 40 A HA . 15168 1 396 . 1 1 40 40 ALA HB1 H 1 1.391 0.01 . 1 . . . . 40 A HB# . 15168 1 397 . 1 1 40 40 ALA HB2 H 1 1.391 0.01 . 1 . . . . 40 A HB# . 15168 1 398 . 1 1 40 40 ALA HB3 H 1 1.391 0.01 . 1 . . . . 40 A HB# . 15168 1 399 . 1 1 40 40 ALA C C 13 180.754 0.1 . 1 . . . . 40 A CO . 15168 1 400 . 1 1 40 40 ALA CA C 13 55.787 0.1 . 1 . . . . 40 A CA . 15168 1 401 . 1 1 40 40 ALA CB C 13 19.008 0.1 . 1 . . . . 40 A CB . 15168 1 402 . 1 1 40 40 ALA N N 15 120.295 0.1 . 1 . . . . 40 A N . 15168 1 403 . 1 1 41 41 ALA H H 1 7.824 0.01 . 1 . . . . 41 A HN . 15168 1 404 . 1 1 41 41 ALA HA H 1 3.944 0.01 . 1 . . . . 41 A HA . 15168 1 405 . 1 1 41 41 ALA HB1 H 1 1.348 0.01 . 1 . . . . 41 A HB . 15168 1 406 . 1 1 41 41 ALA HB2 H 1 1.348 0.01 . 1 . . . . 41 A HB . 15168 1 407 . 1 1 41 41 ALA HB3 H 1 1.348 0.01 . 1 . . . . 41 A HB . 15168 1 408 . 1 1 41 41 ALA C C 13 178.588 0.1 . 1 . . . . 41 A CO . 15168 1 409 . 1 1 41 41 ALA CA C 13 55.532 0.1 . 1 . . . . 41 A CA . 15168 1 410 . 1 1 41 41 ALA CB C 13 18.527 0.1 . 1 . . . . 41 A CB . 15168 1 411 . 1 1 41 41 ALA N N 15 120.646 0.1 . 1 . . . . 41 A N . 15168 1 412 . 1 1 42 42 MET H H 1 9.192 0.01 . 1 . . . . 42 M HN . 15168 1 413 . 1 1 42 42 MET HA H 1 4.039 0.01 . 1 . . . . 42 M HA . 15168 1 414 . 1 1 42 42 MET HB2 H 1 2.572 0.01 . 1 . . . . 42 M HB2 . 15168 1 415 . 1 1 42 42 MET HB3 H 1 2.709 0.01 . 1 . . . . 42 M HB3 . 15168 1 416 . 1 1 42 42 MET HG2 H 1 2.116 0.01 . 1 . . . . 42 M HG# . 15168 1 417 . 1 1 42 42 MET HG3 H 1 2.116 0.01 . 1 . . . . 42 M HG# . 15168 1 418 . 1 1 42 42 MET C C 13 180.957 0.1 . 1 . . . . 42 M CO . 15168 1 419 . 1 1 42 42 MET CA C 13 59.355 0.1 . 1 . . . . 42 M CA . 15168 1 420 . 1 1 42 42 MET CB C 13 31.614 0.1 . 1 . . . . 42 M CB . 15168 1 421 . 1 1 42 42 MET CE C 13 21.182 0.1 . 1 . . . . 42 M CE . 15168 1 422 . 1 1 42 42 MET N N 15 121.326 0.1 . 1 . . . . 42 M N . 15168 1 423 . 1 1 43 43 ARG H H 1 8.373 0.01 . 1 . . . . 43 R HN . 15168 1 424 . 1 1 43 43 ARG HA H 1 3.972 0.01 . 1 . . . . 43 R HA . 15168 1 425 . 1 1 43 43 ARG HB2 H 1 1.815 0.01 . 1 . . . . 43 R HB# . 15168 1 426 . 1 1 43 43 ARG HB3 H 1 1.815 0.01 . 1 . . . . 43 R HB# . 15168 1 427 . 1 1 43 43 ARG HD2 H 1 3.012 0.01 . 1 . . . . 43 R HD2 . 15168 1 428 . 1 1 43 43 ARG HD3 H 1 3.172 0.01 . 1 . . . . 43 R HD3 . 15168 1 429 . 1 1 43 43 ARG HE H 1 7.094 0.01 . 1 . . . . 43 R HE . 15168 1 430 . 1 1 43 43 ARG C C 13 177.712 0.1 . 1 . . . . 43 R CO . 15168 1 431 . 1 1 43 43 ARG CA C 13 59.727 0.1 . 1 . . . . 43 R CA . 15168 1 432 . 1 1 43 43 ARG CB C 13 30.107 0.1 . 1 . . . . 43 R CB . 15168 1 433 . 1 1 43 43 ARG CG C 13 27.868 0.1 . 1 . . . . 43 R CG . 15168 1 434 . 1 1 43 43 ARG CD C 13 43.421 0.1 . 1 . . . . 43 R CD . 15168 1 435 . 1 1 43 43 ARG N N 15 119.718 0.01 . 1 . . . . 43 R N . 15168 1 436 . 1 1 43 43 ARG NE N 15 119.876 0.1 . 1 . . . . 43 R NE . 15168 1 437 . 1 1 44 44 ALA H H 1 7.612 0.01 . 1 . . . . 44 A HN . 15168 1 438 . 1 1 44 44 ALA HA H 1 4.36 0.01 . 1 . . . . 44 A HA . 15168 1 439 . 1 1 44 44 ALA HB1 H 1 1.483 0.01 . 1 . . . . 44 A HB . 15168 1 440 . 1 1 44 44 ALA HB2 H 1 1.483 0.01 . 1 . . . . 44 A HB . 15168 1 441 . 1 1 44 44 ALA HB3 H 1 1.483 0.01 . 1 . . . . 44 A HB . 15168 1 442 . 1 1 44 44 ALA C C 13 177.4 0.1 . 1 . . . . 44 A CO . 15168 1 443 . 1 1 44 44 ALA CA C 13 52.616 0.1 . 1 . . . . 44 A CA . 15168 1 444 . 1 1 44 44 ALA CB C 13 20.455 0.1 . 1 . . . . 44 A CB . 15168 1 445 . 1 1 44 44 ALA N N 15 118.971 0.1 . 1 . . . . 44 A N . 15168 1 446 . 1 1 45 45 GLY H H 1 7.688 0.01 . 1 . . . . 45 G HN . 15168 1 447 . 1 1 45 45 GLY HA2 H 1 3.699 0.01 . 1 . . . . 45 G HA2 . 15168 1 448 . 1 1 45 45 GLY HA3 H 1 4.284 0.01 . 1 . . . . 45 G HA3 . 15168 1 449 . 1 1 45 45 GLY C C 13 175.385 0.1 . 1 . . . . 45 G CO . 15168 1 450 . 1 1 45 45 GLY CA C 13 45.256 0.1 . 1 . . . . 45 G CA . 15168 1 451 . 1 1 45 45 GLY N N 15 103.874 0.1 . 1 . . . . 45 G N . 15168 1 452 . 1 1 46 46 VAL H H 1 7.868 0.01 . 1 . . . . 46 V HN . 15168 1 453 . 1 1 46 46 VAL HA H 1 3.539 0.01 . 1 . . . . 46 V HA . 15168 1 454 . 1 1 46 46 VAL HB H 1 1.565 0.01 . 1 . . . . 46 V HB . 15168 1 455 . 1 1 46 46 VAL HG11 H 1 0.829 0.01 . 1 . . . . 46 V HG* . 15168 1 456 . 1 1 46 46 VAL HG12 H 1 0.829 0.01 . 1 . . . . 46 V HG* . 15168 1 457 . 1 1 46 46 VAL HG13 H 1 0.829 0.01 . 1 . . . . 46 V HG* . 15168 1 458 . 1 1 46 46 VAL HG21 H 1 0.829 0.01 . 1 . . . . 46 V HG* . 15168 1 459 . 1 1 46 46 VAL HG22 H 1 0.829 0.01 . 1 . . . . 46 V HG* . 15168 1 460 . 1 1 46 46 VAL HG23 H 1 0.829 0.01 . 1 . . . . 46 V HG* . 15168 1 461 . 1 1 46 46 VAL C C 13 173.729 0.1 . 1 . . . . 46 V CO . 15168 1 462 . 1 1 46 46 VAL CA C 13 63.759 0.1 . 1 . . . . 46 V CA . 15168 1 463 . 1 1 46 46 VAL CB C 13 31.221 0.1 . 1 . . . . 46 V CB . 15168 1 464 . 1 1 46 46 VAL CG1 C 13 22.815 0.1 . 1 . . . . 46 V CG# . 15168 1 465 . 1 1 46 46 VAL CG2 C 13 22.815 0.1 . 1 . . . . 46 V CG# . 15168 1 466 . 1 1 46 46 VAL N N 15 122.592 0.1 . 1 . . . . 46 V N . 15168 1 467 . 1 1 47 47 GLN H H 1 8.72 0.01 . 1 . . . . 47 Q HN . 15168 1 468 . 1 1 47 47 GLN HA H 1 4.603 0.01 . 1 . . . . 47 Q HA . 15168 1 469 . 1 1 47 47 GLN HB2 H 1 1.938 0.01 . 1 . . . . 47 Q HB# . 15168 1 470 . 1 1 47 47 GLN HB3 H 1 1.938 0.01 . 1 . . . . 47 Q HB# . 15168 1 471 . 1 1 47 47 GLN HG2 H 1 2.256 0.01 . 1 . . . . 47 Q HG2 . 15168 1 472 . 1 1 47 47 GLN HG3 H 1 2.138 0.01 . 1 . . . . 47 Q HG3 . 15168 1 473 . 1 1 47 47 GLN HE21 H 1 6.707 0.01 . 1 . . . . 47 Q HE21 . 15168 1 474 . 1 1 47 47 GLN HE22 H 1 7.407 0.01 . 1 . . . . 47 Q HE22 . 15168 1 475 . 1 1 47 47 GLN C C 13 175.513 0.1 . 1 . . . . 47 Q CO . 15168 1 476 . 1 1 47 47 GLN CA C 13 53.833 0.1 . 1 . . . . 47 Q CA . 15168 1 477 . 1 1 47 47 GLN CB C 13 31.709 0.1 . 1 . . . . 47 Q CB . 15168 1 478 . 1 1 47 47 GLN CG C 13 33.941 0.1 . 1 . . . . 47 Q CG . 15168 1 479 . 1 1 47 47 GLN N N 15 125.735 0.1 . 1 . . . . 47 Q N . 15168 1 480 . 1 1 47 47 GLN NE2 N 15 112.102 0.1 . 1 . . . . 47 Q NE2 . 15168 1 481 . 1 1 48 48 THR H H 1 8.5 0.01 . 1 . . . . 48 T HN . 15168 1 482 . 1 1 48 48 THR HA H 1 3.905 0.01 . 1 . . . . 48 T HA . 15168 1 483 . 1 1 48 48 THR HB H 1 3.386 0.01 . 1 . . . . 48 T HB . 15168 1 484 . 1 1 48 48 THR HG21 H 1 1.103 0.01 . 1 . . . . 48 T HG2# . 15168 1 485 . 1 1 48 48 THR HG22 H 1 1.103 0.01 . 1 . . . . 48 T HG2# . 15168 1 486 . 1 1 48 48 THR HG23 H 1 1.103 0.01 . 1 . . . . 48 T HG2# . 15168 1 487 . 1 1 48 48 THR C C 13 175.623 0.1 . 1 . . . . 48 T CO . 15168 1 488 . 1 1 48 48 THR CA C 13 65.52 0.1 . 1 . . . . 48 T CA . 15168 1 489 . 1 1 48 48 THR CB C 13 68.373 0.1 . 1 . . . . 48 T CB . 15168 1 490 . 1 1 48 48 THR CG2 C 13 22.299 0.1 . 1 . . . . 48 T CG2 . 15168 1 491 . 1 1 48 48 THR N N 15 118.15 0.1 . 1 . . . . 48 T N . 15168 1 492 . 1 1 49 49 GLY H H 1 9.16 0.01 . 1 . . . . 49 G HN . 15168 1 493 . 1 1 49 49 GLY HA2 H 1 3.528 0.01 . 1 . . . . 49 G HA2 . 15168 1 494 . 1 1 49 49 GLY HA3 H 1 4.336 0.01 . 1 . . . . 49 G HA3 . 15168 1 495 . 1 1 49 49 GLY C C 13 174.481 0.1 . 1 . . . . 49 G CO . 15168 1 496 . 1 1 49 49 GLY CA C 13 44.9 0.1 . 1 . . . . 49 G CA . 15168 1 497 . 1 1 49 49 GLY N N 15 115.8 0.1 . 1 . . . . 49 G N . 15168 1 498 . 1 1 50 50 ASP H H 1 7.944 0.01 . 1 . . . . 50 D HN . 15168 1 499 . 1 1 50 50 ASP HA H 1 4.592 0.01 . 1 . . . . 50 D HA . 15168 1 500 . 1 1 50 50 ASP HB2 H 1 2.158 0.01 . 1 . . . . 50 D HB2 . 15168 1 501 . 1 1 50 50 ASP HB3 H 1 2.591 0.01 . 1 . . . . 50 D HB3 . 15168 1 502 . 1 1 50 50 ASP C C 13 175.628 0.1 . 1 . . . . 50 D CO . 15168 1 503 . 1 1 50 50 ASP CA C 13 56.184 0.1 . 1 . . . . 50 D CA . 15168 1 504 . 1 1 50 50 ASP CB C 13 40.804 0.1 . 1 . . . . 50 D CB . 15168 1 505 . 1 1 50 50 ASP N N 15 122.618 0.1 . 1 . . . . 50 D N . 15168 1 506 . 1 1 51 51 ARG H H 1 8.966 0.01 . 1 . . . . 51 R HN . 15168 1 507 . 1 1 51 51 ARG HA H 1 4.482 0.01 . 1 . . . . 51 R HA . 15168 1 508 . 1 1 51 51 ARG HB2 H 1 1.775 0.01 . 1 . . . . 51 R HB2 . 15168 1 509 . 1 1 51 51 ARG HB3 H 1 1.7 0.01 . 1 . . . . 51 R HB3 . 15168 1 510 . 1 1 51 51 ARG HG2 H 1 1.333 0.01 . 1 . . . . 51 R HG# . 15168 1 511 . 1 1 51 51 ARG HG3 H 1 1.333 0.01 . 1 . . . . 51 R HG# . 15168 1 512 . 1 1 51 51 ARG HD2 H 1 3.073 0.01 . 1 . . . . 51 R HD2 . 15168 1 513 . 1 1 51 51 ARG HD3 H 1 2.998 0.01 . 1 . . . . 51 R HD3 . 15168 1 514 . 1 1 51 51 ARG HE H 1 7.158 0.01 . 1 . . . . 51 R HE . 15168 1 515 . 1 1 51 51 ARG C C 13 176.238 0.1 . 1 . . . . 51 R CO . 15168 1 516 . 1 1 51 51 ARG CA C 13 55.539 0.1 . 1 . . . . 51 R CA . 15168 1 517 . 1 1 51 51 ARG CB C 13 32.263 0.1 . 1 . . . . 51 R CB . 15168 1 518 . 1 1 51 51 ARG CG C 13 27.966 0.1 . 1 . . . . 51 R CG . 15168 1 519 . 1 1 51 51 ARG CD C 13 43.75 0.1 . 1 . . . . 51 R CD . 15168 1 520 . 1 1 51 51 ARG N N 15 122.543 0.1 . 1 . . . . 51 R N . 15168 1 521 . 1 1 51 51 ARG NE N 15 119.912 0.1 . 1 . . . . 51 R NE . 15168 1 522 . 1 1 52 52 ILE H H 1 8.586 0.01 . 1 . . . . 52 I HN . 15168 1 523 . 1 1 52 52 ILE HA H 1 3.867 0.01 . 1 . . . . 52 I HA . 15168 1 524 . 1 1 52 52 ILE HB H 1 1.511 0.01 . 1 . . . . 52 I HB . 15168 1 525 . 1 1 52 52 ILE HG12 H 1 1.384 0.01 . 1 . . . . 52 I HG1# . 15168 1 526 . 1 1 52 52 ILE HG13 H 1 1.384 0.01 . 1 . . . . 52 I HG1# . 15168 1 527 . 1 1 52 52 ILE HG21 H 1 0.481 0.01 . 1 . . . . 52 I HG2# . 15168 1 528 . 1 1 52 52 ILE HG22 H 1 0.481 0.01 . 1 . . . . 52 I HG2# . 15168 1 529 . 1 1 52 52 ILE HG23 H 1 0.481 0.01 . 1 . . . . 52 I HG2# . 15168 1 530 . 1 1 52 52 ILE HD11 H 1 0.477 0.01 . 1 . . . . 52 I HD# . 15168 1 531 . 1 1 52 52 ILE HD12 H 1 0.477 0.01 . 1 . . . . 52 I HD# . 15168 1 532 . 1 1 52 52 ILE HD13 H 1 0.477 0.01 . 1 . . . . 52 I HD# . 15168 1 533 . 1 1 52 52 ILE C C 13 173.654 0.1 . 1 . . . . 52 I CO . 15168 1 534 . 1 1 52 52 ILE CA C 13 62.065 0.1 . 1 . . . . 52 I CA . 15168 1 535 . 1 1 52 52 ILE CB C 13 36.865 0.1 . 1 . . . . 52 I CB . 15168 1 536 . 1 1 52 52 ILE CG1 C 13 27.434 0.1 . 1 . . . . 52 I CG1 . 15168 1 537 . 1 1 52 52 ILE CG2 C 13 18.712 0.1 . 1 . . . . 52 I CG2 . 15168 1 538 . 1 1 52 52 ILE CD1 C 13 13.542 0.1 . 1 . . . . 52 I CD1 . 15168 1 539 . 1 1 52 52 ILE N N 15 124.002 0.1 . 1 . . . . 52 I N . 15168 1 540 . 1 1 53 53 ILE H H 1 8.776 0.01 . 1 . . . . 53 I HN . 15168 1 541 . 1 1 53 53 ILE HA H 1 4.1 0.01 . 1 . . . . 53 I HA . 15168 1 542 . 1 1 53 53 ILE HB H 1 1.491 0.01 . 1 . . . . 53 I HB . 15168 1 543 . 1 1 53 53 ILE HG12 H 1 1.227 0.01 . 1 . . . . 53 I HG12 . 15168 1 544 . 1 1 53 53 ILE HG13 H 1 1.064 0.01 . 1 . . . . 53 I HG13 . 15168 1 545 . 1 1 53 53 ILE HG21 H 1 0.723 0.01 . 1 . . . . 53 I HG2# . 15168 1 546 . 1 1 53 53 ILE HG22 H 1 0.723 0.01 . 1 . . . . 53 I HG2# . 15168 1 547 . 1 1 53 53 ILE HG23 H 1 0.723 0.01 . 1 . . . . 53 I HG2# . 15168 1 548 . 1 1 53 53 ILE HD11 H 1 0.447 0.01 . 1 . . . . 53 I HD1# . 15168 1 549 . 1 1 53 53 ILE HD12 H 1 0.447 0.01 . 1 . . . . 53 I HD1# . 15168 1 550 . 1 1 53 53 ILE HD13 H 1 0.447 0.01 . 1 . . . . 53 I HD1# . 15168 1 551 . 1 1 53 53 ILE C C 13 176.794 0.1 . 1 . . . . 53 I CO . 15168 1 552 . 1 1 53 53 ILE CA C 13 60.171 0.1 . 1 . . . . 53 I CA . 15168 1 553 . 1 1 53 53 ILE CB C 13 37.927 0.1 . 1 . . . . 53 I CB . 15168 1 554 . 1 1 53 53 ILE CG1 C 13 26.869 0.1 . 1 . . . . 53 I CG1 . 15168 1 555 . 1 1 53 53 ILE CG2 C 13 17.127 0.1 . 1 . . . . 53 I CG2 . 15168 1 556 . 1 1 53 53 ILE CD1 C 13 10.28 0.1 . 1 . . . . 53 I CD1 . 15168 1 557 . 1 1 53 53 ILE N N 15 126.537 0.1 . 1 . . . . 53 I N . 15168 1 558 . 1 1 54 54 LYS H H 1 7.627 0.01 . 1 . . . . 54 K HN . 15168 1 559 . 1 1 54 54 LYS HA H 1 5.293 0.01 . 1 . . . . 54 K HA . 15168 1 560 . 1 1 54 54 LYS HB2 H 1 1.309 0.01 . 1 . . . . 54 K HB2 . 15168 1 561 . 1 1 54 54 LYS HB3 H 1 1.541 0.01 . 1 . . . . 54 K HB3 . 15168 1 562 . 1 1 54 54 LYS HG2 H 1 1.099 0.01 . 1 . . . . 54 K HG . 15168 1 563 . 1 1 54 54 LYS HG3 H 1 1.099 0.01 . 1 . . . . 54 K HG . 15168 1 564 . 1 1 54 54 LYS HD2 H 1 1.323 0.01 . 1 . . . . 54 K HD# . 15168 1 565 . 1 1 54 54 LYS HD3 H 1 1.323 0.01 . 1 . . . . 54 K HD# . 15168 1 566 . 1 1 54 54 LYS HE2 H 1 2.698 0.01 . 1 . . . . 54 K HE# . 15168 1 567 . 1 1 54 54 LYS HE3 H 1 2.698 0.01 . 1 . . . . 54 K HE# . 15168 1 568 . 1 1 54 54 LYS C C 13 174.984 0.1 . 1 . . . . 54 K CO . 15168 1 569 . 1 1 54 54 LYS CA C 13 54.78 0.1 . 1 . . . . 54 K CA . 15168 1 570 . 1 1 54 54 LYS CB C 13 38.247 0.1 . 1 . . . . 54 K CB . 15168 1 571 . 1 1 54 54 LYS CG C 13 25.585 0.1 . 1 . . . . 54 K CG . 15168 1 572 . 1 1 54 54 LYS CE C 13 42.067 0.1 . 1 . . . . 54 K CE . 15168 1 573 . 1 1 54 54 LYS N N 15 115.096 0.1 . 1 . . . . 54 K N . 15168 1 574 . 1 1 55 55 VAL H H 1 8.364 0.01 . 1 . . . . 55 V HN . 15168 1 575 . 1 1 55 55 VAL HA H 1 4.255 0.01 . 1 . . . . 55 V HA . 15168 1 576 . 1 1 55 55 VAL HB H 1 1.721 0.01 . 1 . . . . 55 V HB . 15168 1 577 . 1 1 55 55 VAL HG11 H 1 0.66 0.01 . 1 . . . . 55 V HG1# . 15168 1 578 . 1 1 55 55 VAL HG12 H 1 0.66 0.01 . 1 . . . . 55 V HG1# . 15168 1 579 . 1 1 55 55 VAL HG13 H 1 0.66 0.01 . 1 . . . . 55 V HG1# . 15168 1 580 . 1 1 55 55 VAL HG21 H 1 0.556 0.01 . 1 . . . . 55 V HG2# . 15168 1 581 . 1 1 55 55 VAL HG22 H 1 0.556 0.01 . 1 . . . . 55 V HG2# . 15168 1 582 . 1 1 55 55 VAL HG23 H 1 0.556 0.01 . 1 . . . . 55 V HG2# . 15168 1 583 . 1 1 55 55 VAL C C 13 175.376 0.1 . 1 . . . . 55 V CO . 15168 1 584 . 1 1 55 55 VAL CA C 13 61.269 0.1 . 1 . . . . 55 V CA . 15168 1 585 . 1 1 55 55 VAL CB C 13 33.196 0.1 . 1 . . . . 55 V CB . 15168 1 586 . 1 1 55 55 VAL CG1 C 13 21.741 0.1 . 1 . . . . 55 V CG# . 15168 1 587 . 1 1 55 55 VAL CG2 C 13 21.741 0.1 . 1 . . . . 55 V CG# . 15168 1 588 . 1 1 55 55 VAL N N 15 119.554 0.1 . 1 . . . . 55 V N . 15168 1 589 . 1 1 56 56 ASN H H 1 9.784 0.01 . 1 . . . . 56 N HN . 15168 1 590 . 1 1 56 56 ASN HA H 1 4.355 0.01 . 1 . . . . 56 N HA . 15168 1 591 . 1 1 56 56 ASN HB2 H 1 2.958 0.01 . 1 . . . . 56 N HB# . 15168 1 592 . 1 1 56 56 ASN HB3 H 1 2.958 0.01 . 1 . . . . 56 N HB# . 15168 1 593 . 1 1 56 56 ASN HD21 H 1 7.596 0.01 . 1 . . . . 56 N HD21 . 15168 1 594 . 1 1 56 56 ASN HD22 H 1 6.859 0.01 . 1 . . . . 56 N HD22 . 15168 1 595 . 1 1 56 56 ASN C C 13 175.257 0.1 . 1 . . . . 56 N CO . 15168 1 596 . 1 1 56 56 ASN CA C 13 54.5 0.1 . 1 . . . . 56 N CA . 15168 1 597 . 1 1 56 56 ASN CB C 13 36.746 0.1 . 1 . . . . 56 N CB . 15168 1 598 . 1 1 56 56 ASN N N 15 125.877 0.1 . 1 . . . . 56 N N . 15168 1 599 . 1 1 56 56 ASN ND2 N 15 115.27 0.1 . 1 . . . . 56 N ND2 . 15168 1 600 . 1 1 57 57 GLY H H 1 8.294 0.01 . 1 . . . . 57 G HN . 15168 1 601 . 1 1 57 57 GLY HA2 H 1 3.503 0.01 . 1 . . . . 57 G HA2 . 15168 1 602 . 1 1 57 57 GLY HA3 H 1 4.178 0.01 . 1 . . . . 57 G HA3 . 15168 1 603 . 1 1 57 57 GLY C C 13 173.826 0.1 . 1 . . . . 57 G CO . 15168 1 604 . 1 1 57 57 GLY CA C 13 45.376 0.1 . 1 . . . . 57 G CA . 15168 1 605 . 1 1 57 57 GLY N N 15 103.59 0.1 . 1 . . . . 57 G N . 15168 1 606 . 1 1 58 58 THR H H 1 8.161 0.01 . 1 . . . . 58 T HN . 15168 1 607 . 1 1 58 58 THR HA H 1 4.128 0.01 . 1 . . . . 58 T HA . 15168 1 608 . 1 1 58 58 THR HB H 1 4.112 0.01 . 1 . . . . 58 T HB . 15168 1 609 . 1 1 58 58 THR HG21 H 1 1.074 0.01 . 1 . . . . 58 T HG2# . 15168 1 610 . 1 1 58 58 THR HG22 H 1 1.074 0.01 . 1 . . . . 58 T HG2# . 15168 1 611 . 1 1 58 58 THR HG23 H 1 1.074 0.01 . 1 . . . . 58 T HG2# . 15168 1 612 . 1 1 58 58 THR C C 13 173.649 0.1 . 1 . . . . 58 T CO . 15168 1 613 . 1 1 58 58 THR CA C 13 62.565 0.1 . 1 . . . . 58 T CA . 15168 1 614 . 1 1 58 58 THR CB C 13 69.661 0.1 . 1 . . . . 58 T CB . 15168 1 615 . 1 1 58 58 THR CG2 C 13 21.318 0.1 . 1 . . . . 58 T CG2 . 15168 1 616 . 1 1 58 58 THR N N 15 120.37 0.1 . 1 . . . . 58 T N . 15168 1 617 . 1 1 59 59 LEU H H 1 8.892 0.01 . 1 . . . . 59 L HN . 15168 1 618 . 1 1 59 59 LEU HA H 1 4.366 0.01 . 1 . . . . 59 L HA . 15168 1 619 . 1 1 59 59 LEU HB2 H 1 1.755 0.01 . 1 . . . . 59 L HB2 . 15168 1 620 . 1 1 59 59 LEU HB3 H 1 1.552 0.01 . 1 . . . . 59 L HB3 . 15168 1 621 . 1 1 59 59 LEU HD11 H 1 0.939 0.01 . 1 . . . . 59 L HD* . 15168 1 622 . 1 1 59 59 LEU HD12 H 1 0.939 0.01 . 1 . . . . 59 L HD* . 15168 1 623 . 1 1 59 59 LEU HD13 H 1 0.939 0.01 . 1 . . . . 59 L HD* . 15168 1 624 . 1 1 59 59 LEU HD21 H 1 0.939 0.01 . 1 . . . . 59 L HD* . 15168 1 625 . 1 1 59 59 LEU HD22 H 1 0.939 0.01 . 1 . . . . 59 L HD* . 15168 1 626 . 1 1 59 59 LEU HD23 H 1 0.939 0.01 . 1 . . . . 59 L HD* . 15168 1 627 . 1 1 59 59 LEU C C 13 177.498 0.1 . 1 . . . . 59 L CO . 15168 1 628 . 1 1 59 59 LEU CA C 13 56.443 0.1 . 1 . . . . 59 L CA . 15168 1 629 . 1 1 59 59 LEU CB C 13 42.72 0.1 . 1 . . . . 59 L CB . 15168 1 630 . 1 1 59 59 LEU N N 15 129.94 0.1 . 1 . . . . 59 L N . 15168 1 631 . 1 1 65 65 HIS HA H 1 3.964 0.01 . 1 . . . . 65 H HA . 15168 1 632 . 1 1 65 65 HIS HB2 H 1 3.556 0.01 . 1 . . . . 65 H HB2 . 15168 1 633 . 1 1 65 65 HIS HB3 H 1 2.876 0.01 . 1 . . . . 65 H HB3 . 15168 1 634 . 1 1 65 65 HIS CA C 13 60.131 0.1 . 1 . . . . 65 H CA . 15168 1 635 . 1 1 65 65 HIS CB C 13 28.046 0.1 . 1 . . . . 65 H CB . 15168 1 636 . 1 1 66 66 LEU H H 1 7.345 0.01 . 1 . . . . 66 L HN . 15168 1 637 . 1 1 66 66 LEU HA H 1 3.815 0.01 . 1 . . . . 66 L HA . 15168 1 638 . 1 1 66 66 LEU HB2 H 1 1.245 0.01 . 1 . . . . 66 L HB2 . 15168 1 639 . 1 1 66 66 LEU HB3 H 1 1.573 0.01 . 1 . . . . 66 L HB3 . 15168 1 640 . 1 1 66 66 LEU HG H 1 0.824 0.01 . 1 . . . . 66 L HG . 15168 1 641 . 1 1 66 66 LEU HD11 H 1 0.68 0.01 . 1 . . . . 66 L HD1# . 15168 1 642 . 1 1 66 66 LEU HD12 H 1 0.68 0.01 . 1 . . . . 66 L HD1# . 15168 1 643 . 1 1 66 66 LEU HD13 H 1 0.68 0.01 . 1 . . . . 66 L HD1# . 15168 1 644 . 1 1 66 66 LEU HD21 H 1 0.736 0.01 . 1 . . . . 66 L HD2# . 15168 1 645 . 1 1 66 66 LEU HD22 H 1 0.736 0.01 . 1 . . . . 66 L HD2# . 15168 1 646 . 1 1 66 66 LEU HD23 H 1 0.736 0.01 . 1 . . . . 66 L HD2# . 15168 1 647 . 1 1 66 66 LEU C C 13 179.839 0.1 . 1 . . . . 66 L CO . 15168 1 648 . 1 1 66 66 LEU CA C 13 57.555 0.1 . 1 . . . . 66 L CA . 15168 1 649 . 1 1 66 66 LEU CB C 13 40.759 0.1 . 1 . . . . 66 L CB . 15168 1 650 . 1 1 66 66 LEU CG C 13 26.254 0.1 . 1 . . . . 66 L CG . 15168 1 651 . 1 1 66 66 LEU CD1 C 13 22.948 0.1 . 1 . . . . 66 L CD1 . 15168 1 652 . 1 1 66 66 LEU CD2 C 13 24.826 0.1 . 1 . . . . 66 L CD2 . 15168 1 653 . 1 1 66 66 LEU N N 15 120.222 0.1 . 1 . . . . 66 L N . 15168 1 654 . 1 1 67 67 GLU H H 1 7.643 0.01 . 1 . . . . 67 E HN . 15168 1 655 . 1 1 67 67 GLU HA H 1 3.94 0.01 . 1 . . . . 67 E HA . 15168 1 656 . 1 1 67 67 GLU HB2 H 1 2.109 0.01 . 1 . . . . 67 E HB2 . 15168 1 657 . 1 1 67 67 GLU HB3 H 1 1.985 0.01 . 1 . . . . 67 E HB3 . 15168 1 658 . 1 1 67 67 GLU HG2 H 1 2.215 0.01 . 1 . . . . 67 E HG# . 15168 1 659 . 1 1 67 67 GLU HG3 H 1 2.215 0.01 . 1 . . . . 67 E HG# . 15168 1 660 . 1 1 67 67 GLU C C 13 179.12 0.1 . 1 . . . . 67 E CO . 15168 1 661 . 1 1 67 67 GLU CA C 13 58.532 0.1 . 1 . . . . 67 E CA . 15168 1 662 . 1 1 67 67 GLU CB C 13 29.457 0.1 . 1 . . . . 67 E CB . 15168 1 663 . 1 1 67 67 GLU CG C 13 35.859 0.1 . 1 . . . . 67 E CG . 15168 1 664 . 1 1 67 67 GLU N N 15 119.54 0.1 . 1 . . . . 67 E N . 15168 1 665 . 1 1 68 68 VAL H H 1 7.735 0.01 . 1 . . . . 68 V HN . 15168 1 666 . 1 1 68 68 VAL HA H 1 3.464 0.01 . 1 . . . . 68 V HA . 15168 1 667 . 1 1 68 68 VAL HB H 1 1.998 0.01 . 1 . . . . 68 V HB . 15168 1 668 . 1 1 68 68 VAL HG11 H 1 0.758 0.01 . 1 . . . . 68 V HG1# . 15168 1 669 . 1 1 68 68 VAL HG12 H 1 0.758 0.01 . 1 . . . . 68 V HG1# . 15168 1 670 . 1 1 68 68 VAL HG13 H 1 0.758 0.01 . 1 . . . . 68 V HG1# . 15168 1 671 . 1 1 68 68 VAL HG21 H 1 0.922 0.01 . 1 . . . . 68 V HG2# . 15168 1 672 . 1 1 68 68 VAL HG22 H 1 0.922 0.01 . 1 . . . . 68 V HG2# . 15168 1 673 . 1 1 68 68 VAL HG23 H 1 0.922 0.01 . 1 . . . . 68 V HG2# . 15168 1 674 . 1 1 68 68 VAL C C 13 177.284 0.1 . 1 . . . . 68 V CO . 15168 1 675 . 1 1 68 68 VAL CA C 13 67.385 0.1 . 1 . . . . 68 V CA . 15168 1 676 . 1 1 68 68 VAL CB C 13 31.196 0.1 . 1 . . . . 68 V CB . 15168 1 677 . 1 1 68 68 VAL CG1 C 13 21.345 0.1 . 1 . . . . 68 V CG# . 15168 1 678 . 1 1 68 68 VAL CG2 C 13 21.345 0.1 . 1 . . . . 68 V CG# . 15168 1 679 . 1 1 68 68 VAL N N 15 118.539 0.1 . 1 . . . . 68 V N . 15168 1 680 . 1 1 69 69 VAL H H 1 8.184 0.01 . 1 . . . . 69 V HN . 15168 1 681 . 1 1 69 69 VAL HA H 1 3.446 0.01 . 1 . . . . 69 V HA . 15168 1 682 . 1 1 69 69 VAL HB H 1 2.023 0.01 . 1 . . . . 69 V HB . 15168 1 683 . 1 1 69 69 VAL HG11 H 1 1.033 0.01 . 1 . . . . 69 V HG1# . 15168 1 684 . 1 1 69 69 VAL HG12 H 1 1.033 0.01 . 1 . . . . 69 V HG1# . 15168 1 685 . 1 1 69 69 VAL HG13 H 1 1.033 0.01 . 1 . . . . 69 V HG1# . 15168 1 686 . 1 1 69 69 VAL HG21 H 1 0.949 0.01 . 1 . . . . 69 V HG2# . 15168 1 687 . 1 1 69 69 VAL HG22 H 1 0.949 0.01 . 1 . . . . 69 V HG2# . 15168 1 688 . 1 1 69 69 VAL HG23 H 1 0.949 0.01 . 1 . . . . 69 V HG2# . 15168 1 689 . 1 1 69 69 VAL C C 13 177.094 0.1 . 1 . . . . 69 V CO . 15168 1 690 . 1 1 69 69 VAL CA C 13 67.21 0.1 . 1 . . . . 69 V CA . 15168 1 691 . 1 1 69 69 VAL CB C 13 31.316 0.1 . 1 . . . . 69 V CB . 15168 1 692 . 1 1 69 69 VAL CG1 C 13 19.622 0.1 . 1 . . . . 69 V CG1 . 15168 1 693 . 1 1 69 69 VAL CG2 C 13 20.68 0.1 . 1 . . . . 69 V CG2 . 15168 1 694 . 1 1 69 69 VAL N N 15 119.425 0.1 . 1 . . . . 69 V N . 15168 1 695 . 1 1 70 70 LYS H H 1 7.213 0.01 . 1 . . . . 70 K HN . 15168 1 696 . 1 1 70 70 LYS HA H 1 3.839 0.01 . 1 . . . . 70 K HA . 15168 1 697 . 1 1 70 70 LYS HB2 H 1 1.81 0.01 . 1 . . . . 70 K HB# . 15168 1 698 . 1 1 70 70 LYS HB3 H 1 1.81 0.01 . 1 . . . . 70 K HB# . 15168 1 699 . 1 1 70 70 LYS HG2 H 1 1.283 0.01 . 1 . . . . 70 K HG2 . 15168 1 700 . 1 1 70 70 LYS HG3 H 1 1.512 0.01 . 1 . . . . 70 K HG3 . 15168 1 701 . 1 1 70 70 LYS HD2 H 1 1.57 0.01 . 1 . . . . 70 K HD# . 15168 1 702 . 1 1 70 70 LYS HD3 H 1 1.57 0.01 . 1 . . . . 70 K HD# . 15168 1 703 . 1 1 70 70 LYS HE2 H 1 2.83 0.01 . 1 . . . . 70 K HE# . 15168 1 704 . 1 1 70 70 LYS HE3 H 1 2.83 0.01 . 1 . . . . 70 K HE# . 15168 1 705 . 1 1 70 70 LYS C C 13 179.342 0.1 . 1 . . . . 70 K CO . 15168 1 706 . 1 1 70 70 LYS CA C 13 59.691 0.1 . 1 . . . . 70 K CA . 15168 1 707 . 1 1 70 70 LYS CB C 13 32.202 0.1 . 1 . . . . 70 K CB . 15168 1 708 . 1 1 70 70 LYS CG C 13 24.923 0.1 . 1 . . . . 70 K CG . 15168 1 709 . 1 1 70 70 LYS CD C 13 29.063 0.1 . 1 . . . . 70 K CD . 15168 1 710 . 1 1 70 70 LYS CE C 13 41.756 0.1 . 1 . . . . 70 K CE . 15168 1 711 . 1 1 70 70 LYS N N 15 118.858 0.1 . 1 . . . . 70 K N . 15168 1 712 . 1 1 71 71 LEU H H 1 7.565 0.01 . 1 . . . . 71 L HN . 15168 1 713 . 1 1 71 71 LEU HA H 1 3.975 0.01 . 1 . . . . 71 L HA . 15168 1 714 . 1 1 71 71 LEU HB2 H 1 1.286 0.01 . 1 . . . . 71 L HB2 . 15168 1 715 . 1 1 71 71 LEU HB3 H 1 1.847 0.01 . 1 . . . . 71 L HB3 . 15168 1 716 . 1 1 71 71 LEU HD11 H 1 0.752 0.01 . 1 . . . . 71 L HD* . 15168 1 717 . 1 1 71 71 LEU HD12 H 1 0.752 0.01 . 1 . . . . 71 L HD* . 15168 1 718 . 1 1 71 71 LEU HD13 H 1 0.752 0.01 . 1 . . . . 71 L HD* . 15168 1 719 . 1 1 71 71 LEU HD21 H 1 0.752 0.01 . 1 . . . . 71 L HD* . 15168 1 720 . 1 1 71 71 LEU HD22 H 1 0.752 0.01 . 1 . . . . 71 L HD* . 15168 1 721 . 1 1 71 71 LEU HD23 H 1 0.752 0.01 . 1 . . . . 71 L HD* . 15168 1 722 . 1 1 71 71 LEU C C 13 180.041 0.1 . 1 . . . . 71 L CO . 15168 1 723 . 1 1 71 71 LEU CA C 13 57.694 0.1 . 1 . . . . 71 L CA . 15168 1 724 . 1 1 71 71 LEU CB C 13 42.434 0.1 . 1 . . . . 71 L CB . 15168 1 725 . 1 1 71 71 LEU N N 15 118.191 0.1 . 1 . . . . 71 L N . 15168 1 726 . 1 1 72 72 ILE H H 1 8.207 0.01 . 1 . . . . 72 I HN . 15168 1 727 . 1 1 72 72 ILE HA H 1 3.243 0.01 . 1 . . . . 72 I HA . 15168 1 728 . 1 1 72 72 ILE HB H 1 1.744 0.01 . 1 . . . . 72 I HB . 15168 1 729 . 1 1 72 72 ILE HG21 H 1 0.243 0.01 . 1 . . . . 72 I HG2# . 15168 1 730 . 1 1 72 72 ILE HG22 H 1 0.243 0.01 . 1 . . . . 72 I HG2# . 15168 1 731 . 1 1 72 72 ILE HG23 H 1 0.243 0.01 . 1 . . . . 72 I HG2# . 15168 1 732 . 1 1 72 72 ILE HD11 H 1 0.54 0.01 . 1 . . . . 72 I HD1# . 15168 1 733 . 1 1 72 72 ILE HD12 H 1 0.54 0.01 . 1 . . . . 72 I HD1# . 15168 1 734 . 1 1 72 72 ILE HD13 H 1 0.54 0.01 . 1 . . . . 72 I HD1# . 15168 1 735 . 1 1 72 72 ILE CA C 13 65.444 0.1 . 1 . . . . 72 I CA . 15168 1 736 . 1 1 72 72 ILE CB C 13 37.851 0.1 . 1 . . . . 72 I CB . 15168 1 737 . 1 1 73 73 LYS H H 1 7.648 0.01 . 1 . . . . 73 K HN . 15168 1 738 . 1 1 73 73 LYS HA H 1 4.289 0.01 . 1 . . . . 73 K HA . 15168 1 739 . 1 1 73 73 LYS HB2 H 1 1.76 0.01 . 1 . . . . 73 K HB2 . 15168 1 740 . 1 1 73 73 LYS HB3 H 1 2.034 0.01 . 1 . . . . 73 K HB3 . 15168 1 741 . 1 1 73 73 LYS HG2 H 1 1.432 0.01 . 1 . . . . 73 K HG# . 15168 1 742 . 1 1 73 73 LYS HG3 H 1 1.432 0.01 . 1 . . . . 73 K HG# . 15168 1 743 . 1 1 73 73 LYS HD2 H 1 1.669 0.01 . 1 . . . . 73 K HD# . 15168 1 744 . 1 1 73 73 LYS HD3 H 1 1.669 0.01 . 1 . . . . 73 K HD# . 15168 1 745 . 1 1 73 73 LYS HE2 H 1 2.908 0.01 . 1 . . . . 73 K HE2 . 15168 1 746 . 1 1 73 73 LYS HE3 H 1 3.01 0.01 . 1 . . . . 73 K HE3 . 15168 1 747 . 1 1 73 73 LYS C C 13 177.041 0.1 . 1 . . . . 73 K CO . 15168 1 748 . 1 1 73 73 LYS CA C 13 57.488 0.1 . 1 . . . . 73 K CA . 15168 1 749 . 1 1 73 73 LYS CB C 13 32.019 0.1 . 1 . . . . 73 K CB . 15168 1 750 . 1 1 73 73 LYS CG C 13 25.997 0.1 . 1 . . . . 73 K CG . 15168 1 751 . 1 1 73 73 LYS CD C 13 29.621 0.1 . 1 . . . . 73 K CD . 15168 1 752 . 1 1 73 73 LYS CE C 13 41.989 0.1 . 1 . . . . 73 K CE . 15168 1 753 . 1 1 73 73 LYS N N 15 113.423 0.1 . 1 . . . . 73 K N . 15168 1 754 . 1 1 74 74 SER H H 1 7.376 0.01 . 1 . . . . 74 S HN . 15168 1 755 . 1 1 74 74 SER HA H 1 4.215 0.01 . 1 . . . . 74 S HA . 15168 1 756 . 1 1 74 74 SER HB2 H 1 3.926 0.01 . 1 . . . . 74 S HB# . 15168 1 757 . 1 1 74 74 SER HB3 H 1 3.926 0.01 . 1 . . . . 74 S HB# . 15168 1 758 . 1 1 74 74 SER C C 13 174.129 0.1 . 1 . . . . 74 S CO . 15168 1 759 . 1 1 74 74 SER CA C 13 60.606 0.1 . 1 . . . . 74 S CA . 15168 1 760 . 1 1 74 74 SER CB C 13 63.933 0.1 . 1 . . . . 74 S CB . 15168 1 761 . 1 1 74 74 SER N N 15 114.782 0.1 . 1 . . . . 74 S N . 15168 1 762 . 1 1 75 75 GLY H H 1 7.745 0.01 . 1 . . . . 75 G HN . 15168 1 763 . 1 1 75 75 GLY HA2 H 1 3.889 0.01 . 1 . . . . 75 G HA2 . 15168 1 764 . 1 1 75 75 GLY HA3 H 1 4.491 0.01 . 1 . . . . 75 G HA3 . 15168 1 765 . 1 1 75 75 GLY C C 13 173.133 0.1 . 1 . . . . 75 G CO . 15168 1 766 . 1 1 75 75 GLY CA C 13 44.39 0.1 . 1 . . . . 75 G CA . 15168 1 767 . 1 1 75 75 GLY N N 15 109.492 0.1 . 1 . . . . 75 G N . 15168 1 768 . 1 1 76 76 SER H H 1 8.703 0.01 . 1 . . . . 76 S HN . 15168 1 769 . 1 1 76 76 SER HA H 1 4.259 0.01 . 1 . . . . 76 S HA . 15168 1 770 . 1 1 76 76 SER HB2 H 1 3.896 0.01 . 1 . . . . 76 S HB# . 15168 1 771 . 1 1 76 76 SER HB3 H 1 3.896 0.01 . 1 . . . . 76 S HB# . 15168 1 772 . 1 1 76 76 SER C C 13 173.133 0.1 . 1 . . . . 76 S CO . 15168 1 773 . 1 1 76 76 SER CA C 13 59.867 0.1 . 1 . . . . 76 S CA . 15168 1 774 . 1 1 76 76 SER CB C 13 63.862 0.1 . 1 . . . . 76 S CB . 15168 1 775 . 1 1 76 76 SER N N 15 113.78 0.1 . 1 . . . . 76 S N . 15168 1 776 . 1 1 77 77 TYR H H 1 7.677 0.01 . 1 . . . . 77 Y HN . 15168 1 777 . 1 1 77 77 TYR HA H 1 5.587 0.01 . 1 . . . . 77 Y HA . 15168 1 778 . 1 1 77 77 TYR HB2 H 1 2.795 0.01 . 1 . . . . 77 Y HB2 . 15168 1 779 . 1 1 77 77 TYR HB3 H 1 2.924 0.01 . 1 . . . . 77 Y HB3 . 15168 1 780 . 1 1 77 77 TYR HD1 H 1 7.211 0.01 . 1 . . . . 77 Y HD# . 15168 1 781 . 1 1 77 77 TYR HD2 H 1 7.211 0.01 . 1 . . . . 77 Y HD# . 15168 1 782 . 1 1 77 77 TYR HE1 H 1 6.859 0.01 . 1 . . . . 77 Y HE# . 15168 1 783 . 1 1 77 77 TYR HE2 H 1 6.859 0.01 . 1 . . . . 77 Y HE# . 15168 1 784 . 1 1 77 77 TYR C C 13 174.346 0.1 . 1 . . . . 77 Y CO . 15168 1 785 . 1 1 77 77 TYR CA C 13 55.644 0.1 . 1 . . . . 77 Y CA . 15168 1 786 . 1 1 77 77 TYR CB C 13 41.114 0.1 . 1 . . . . 77 Y CB . 15168 1 787 . 1 1 77 77 TYR N N 15 117.322 0.1 . 1 . . . . 77 Y N . 15168 1 788 . 1 1 78 78 VAL H H 1 9.096 0.01 . 1 . . . . 78 V HN . 15168 1 789 . 1 1 78 78 VAL HA H 1 4.689 0.01 . 1 . . . . 78 V HA . 15168 1 790 . 1 1 78 78 VAL HB H 1 1.69 0.01 . 1 . . . . 78 V HB . 15168 1 791 . 1 1 78 78 VAL HG11 H 1 0.447 0.01 . 1 . . . . 78 V HG1# . 15168 1 792 . 1 1 78 78 VAL HG12 H 1 0.447 0.01 . 1 . . . . 78 V HG1# . 15168 1 793 . 1 1 78 78 VAL HG13 H 1 0.447 0.01 . 1 . . . . 78 V HG1# . 15168 1 794 . 1 1 78 78 VAL HG21 H 1 0.686 0.01 . 1 . . . . 78 V HG2# . 15168 1 795 . 1 1 78 78 VAL HG22 H 1 0.686 0.01 . 1 . . . . 78 V HG2# . 15168 1 796 . 1 1 78 78 VAL HG23 H 1 0.686 0.01 . 1 . . . . 78 V HG2# . 15168 1 797 . 1 1 78 78 VAL C C 13 171.135 0.1 . 1 . . . . 78 V CO . 15168 1 798 . 1 1 78 78 VAL CA C 13 59.375 0.1 . 1 . . . . 78 V CA . 15168 1 799 . 1 1 78 78 VAL CB C 13 34.661 0.1 . 1 . . . . 78 V CB . 15168 1 800 . 1 1 78 78 VAL CG1 C 13 20.163 0.1 . 1 . . . . 78 V CG1 . 15168 1 801 . 1 1 78 78 VAL CG2 C 13 23.53 0.1 . 1 . . . . 78 V CG2 . 15168 1 802 . 1 1 78 78 VAL N N 15 121.271 0.1 . 1 . . . . 78 V N . 15168 1 803 . 1 1 79 79 ALA H H 1 8.436 0.01 . 1 . . . . 79 A HN . 15168 1 804 . 1 1 79 79 ALA HA H 1 5.115 0.01 . 1 . . . . 79 A HA . 15168 1 805 . 1 1 79 79 ALA HB1 H 1 1.234 0.01 . 1 . . . . 79 A HB# . 15168 1 806 . 1 1 79 79 ALA HB2 H 1 1.234 0.01 . 1 . . . . 79 A HB# . 15168 1 807 . 1 1 79 79 ALA HB3 H 1 1.234 0.01 . 1 . . . . 79 A HB# . 15168 1 808 . 1 1 79 79 ALA C C 13 176.666 0.1 . 1 . . . . 79 A CO . 15168 1 809 . 1 1 79 79 ALA CA C 13 49.947 0.1 . 1 . . . . 79 A CA . 15168 1 810 . 1 1 79 79 ALA CB C 13 19.698 0.1 . 1 . . . . 79 A CB . 15168 1 811 . 1 1 79 79 ALA N N 15 129.769 0.1 . 1 . . . . 79 A N . 15168 1 812 . 1 1 80 80 LEU H H 1 9.374 0.01 . 1 . . . . 80 L HN . 15168 1 813 . 1 1 80 80 LEU HA H 1 4.988 0.01 . 1 . . . . 80 L HA . 15168 1 814 . 1 1 80 80 LEU HB2 H 1 1.4 0.01 . 1 . . . . 80 L HB# . 15168 1 815 . 1 1 80 80 LEU HB3 H 1 1.4 0.01 . 1 . . . . 80 L HB# . 15168 1 816 . 1 1 80 80 LEU HG H 1 1.373 0.01 . 1 . . . . 80 L HG . 15168 1 817 . 1 1 80 80 LEU HD11 H 1 0.627 0.01 . 1 . . . . 80 L HD1# . 15168 1 818 . 1 1 80 80 LEU HD12 H 1 0.627 0.01 . 1 . . . . 80 L HD1# . 15168 1 819 . 1 1 80 80 LEU HD13 H 1 0.627 0.01 . 1 . . . . 80 L HD1# . 15168 1 820 . 1 1 80 80 LEU HD21 H 1 0.564 0.01 . 1 . . . . 80 L HD2# . 15168 1 821 . 1 1 80 80 LEU HD22 H 1 0.564 0.01 . 1 . . . . 80 L HD2# . 15168 1 822 . 1 1 80 80 LEU HD23 H 1 0.564 0.01 . 1 . . . . 80 L HD2# . 15168 1 823 . 1 1 80 80 LEU C C 13 175.795 0.1 . 1 . . . . 80 L CO . 15168 1 824 . 1 1 80 80 LEU CA C 13 53.241 0.1 . 1 . . . . 80 L CA . 15168 1 825 . 1 1 80 80 LEU CB C 13 45.527 0.1 . 1 . . . . 80 L CB . 15168 1 826 . 1 1 80 80 LEU CD1 C 13 25.682 0.1 . 1 . . . . 80 L CD . 15168 1 827 . 1 1 80 80 LEU CD2 C 13 25.682 0.1 . 1 . . . . 80 L CD . 15168 1 828 . 1 1 80 80 LEU N N 15 127.62 0.1 . 1 . . . . 80 L N . 15168 1 829 . 1 1 81 81 THR H H 1 8.601 0.01 . 1 . . . . 81 T HN . 15168 1 830 . 1 1 81 81 THR HA H 1 5.169 0.01 . 1 . . . . 81 T HA . 15168 1 831 . 1 1 81 81 THR HB H 1 3.778 0.01 . 1 . . . . 81 T HB . 15168 1 832 . 1 1 81 81 THR HG21 H 1 1.002 0.01 . 1 . . . . 81 T HG2# . 15168 1 833 . 1 1 81 81 THR HG22 H 1 1.002 0.01 . 1 . . . . 81 T HG2# . 15168 1 834 . 1 1 81 81 THR HG23 H 1 1.002 0.01 . 1 . . . . 81 T HG2# . 15168 1 835 . 1 1 81 81 THR C C 13 174.439 0.1 . 1 . . . . 81 T CO . 15168 1 836 . 1 1 81 81 THR CA C 13 62.709 0.1 . 1 . . . . 81 T CA . 15168 1 837 . 1 1 81 81 THR CB C 13 68.445 0.1 . 1 . . . . 81 T CB . 15168 1 838 . 1 1 81 81 THR CG2 C 13 20.775 0.1 . 1 . . . . 81 T CG2 . 15168 1 839 . 1 1 81 81 THR N N 15 121.58 0.1 . 1 . . . . 81 T N . 15168 1 840 . 1 1 82 82 VAL H H 1 9.252 0.01 . 1 . . . . 82 V HN . 15168 1 841 . 1 1 82 82 VAL HA H 1 5.515 0.01 . 1 . . . . 82 V HA . 15168 1 842 . 1 1 82 82 VAL HB H 1 1.933 0.01 . 1 . . . . 82 V HB . 15168 1 843 . 1 1 82 82 VAL HG11 H 1 0.718 0.01 . 1 . . . . 82 V HG1# . 15168 1 844 . 1 1 82 82 VAL HG12 H 1 0.718 0.01 . 1 . . . . 82 V HG1# . 15168 1 845 . 1 1 82 82 VAL HG13 H 1 0.718 0.01 . 1 . . . . 82 V HG1# . 15168 1 846 . 1 1 82 82 VAL HG21 H 1 0.671 0.01 . 1 . . . . 82 V HG2# . 15168 1 847 . 1 1 82 82 VAL HG22 H 1 0.671 0.01 . 1 . . . . 82 V HG2# . 15168 1 848 . 1 1 82 82 VAL HG23 H 1 0.671 0.01 . 1 . . . . 82 V HG2# . 15168 1 849 . 1 1 82 82 VAL C C 13 174.31 0.1 . 1 . . . . 82 V CO . 15168 1 850 . 1 1 82 82 VAL CA C 13 58.008 0.1 . 1 . . . . 82 V CA . 15168 1 851 . 1 1 82 82 VAL CB C 13 36.251 0.1 . 1 . . . . 82 V CB . 15168 1 852 . 1 1 82 82 VAL CG1 C 13 17.765 0.1 . 1 . . . . 82 V CG1 . 15168 1 853 . 1 1 82 82 VAL CG2 C 13 21.881 0.1 . 1 . . . . 82 V CG2 . 15168 1 854 . 1 1 82 82 VAL N N 15 120.522 0.1 . 1 . . . . 82 V N . 15168 1 855 . 1 1 83 83 GLN H H 1 8.825 0.01 . 1 . . . . 83 Q HN . 15168 1 856 . 1 1 83 83 GLN HA H 1 5.077 0.01 . 1 . . . . 83 Q HA . 15168 1 857 . 1 1 83 83 GLN HB2 H 1 1.725 0.01 . 1 . . . . 83 Q HB2 . 15168 1 858 . 1 1 83 83 GLN HB3 H 1 1.911 0.01 . 1 . . . . 83 Q HB3 . 15168 1 859 . 1 1 83 83 GLN HG2 H 1 2.125 0.01 . 1 . . . . 83 Q HG# . 15168 1 860 . 1 1 83 83 GLN HG3 H 1 2.125 0.01 . 1 . . . . 83 Q HG# . 15168 1 861 . 1 1 83 83 GLN HE21 H 1 6.826 0.01 . 1 . . . . 83 Q HE21 . 15168 1 862 . 1 1 83 83 GLN HE22 H 1 7.531 0.01 . 1 . . . . 83 Q HE22 . 15168 1 863 . 1 1 83 83 GLN C C 13 175.332 0.1 . 1 . . . . 83 Q CO . 15168 1 864 . 1 1 83 83 GLN CA C 13 54.125 0.1 . 1 . . . . 83 Q CA . 15168 1 865 . 1 1 83 83 GLN CB C 13 32.801 0.1 . 1 . . . . 83 Q CB . 15168 1 866 . 1 1 83 83 GLN CG C 13 34.171 0.1 . 1 . . . . 83 Q CG . 15168 1 867 . 1 1 83 83 GLN N N 15 119.507 0.1 . 1 . . . . 83 Q N . 15168 1 868 . 1 1 83 83 GLN NE2 N 15 111.401 0.1 . 1 . . . . 83 Q NE2 . 15168 1 869 . 1 1 84 84 GLY H H 1 8.646 0.01 . 1 . . . . 84 G HN . 15168 1 870 . 1 1 84 84 GLY HA2 H 1 4.035 0.01 . 1 . . . . 84 G HA2 . 15168 1 871 . 1 1 84 84 GLY HA3 H 1 4.386 0.01 . 1 . . . . 84 G HA3 . 15168 1 872 . 1 1 84 84 GLY C C 13 172.293 0.1 . 1 . . . . 84 G CO . 15168 1 873 . 1 1 84 84 GLY CA C 13 45.349 0.1 . 1 . . . . 84 G CA . 15168 1 874 . 1 1 84 84 GLY N N 15 113.005 0.1 . 1 . . . . 84 G N . 15168 1 875 . 1 1 85 85 ARG H H 1 8.629 0.01 . 1 . . . . 85 R HN . 15168 1 876 . 1 1 85 85 ARG HA H 1 4.509 0.01 . 1 . . . . 85 R HA . 15168 1 877 . 1 1 85 85 ARG HG2 H 1 1.613 0.01 . 1 . . . . 85 R HG# . 15168 1 878 . 1 1 85 85 ARG HG3 H 1 1.613 0.01 . 1 . . . . 85 R HG# . 15168 1 879 . 1 1 85 85 ARG HD2 H 1 3.556 0.01 . 1 . . . . 85 R HD2 . 15168 1 880 . 1 1 85 85 ARG HD3 H 1 3.835 0.01 . 1 . . . . 85 R HD3 . 15168 1 881 . 1 1 85 85 ARG HE H 1 7.192 0.01 . 1 . . . . 85 R HE# . 15168 1 882 . 1 1 85 85 ARG C C 13 173.291 0.1 . 1 . . . . 85 R CO . 15168 1 883 . 1 1 85 85 ARG CA C 13 54.494 0.1 . 1 . . . . 85 R CA . 15168 1 884 . 1 1 85 85 ARG CB C 13 29.751 0.1 . 1 . . . . 85 R CB . 15168 1 885 . 1 1 85 85 ARG N N 15 121.422 0.1 . 1 . . . . 85 R N . 15168 1 886 . 1 1 85 85 ARG NE N 15 120.4 0.1 . 1 . . . . 85 R NE . 15168 1 887 . 1 1 87 87 PRO HA H 1 4.339 0.01 . 1 . . . . 87 P HA . 15168 1 888 . 1 1 87 87 PRO HB2 H 1 1.879 0.01 . 1 . . . . 87 P HB2 . 15168 1 889 . 1 1 87 87 PRO HB3 H 1 2.2 0.01 . 1 . . . . 87 P HB3 . 15168 1 890 . 1 1 87 87 PRO HG2 H 1 2.009 0.01 . 1 . . . . 87 P HG# . 15168 1 891 . 1 1 87 87 PRO HG3 H 1 2.009 0.01 . 1 . . . . 87 P HG# . 15168 1 892 . 1 1 87 87 PRO HD2 H 1 3.599 0.01 . 1 . . . . 87 P HD2 . 15168 1 893 . 1 1 87 87 PRO HD3 H 1 3.642 0.01 . 1 . . . . 87 P HD3 . 15168 1 894 . 1 1 87 87 PRO C C 13 177.485 0.1 . 1 . . . . 87 P CO . 15168 1 895 . 1 1 87 87 PRO CA C 13 63.44 0.1 . 1 . . . . 87 P CA . 15168 1 896 . 1 1 87 87 PRO CB C 13 31.873 0.1 . 1 . . . . 87 P CB . 15168 1 897 . 1 1 87 87 PRO CG C 13 27.456 0.1 . 1 . . . . 87 P CG . 15168 1 898 . 1 1 87 87 PRO CD C 13 50.873 0.1 . 1 . . . . 87 P CD . 15168 1 899 . 1 1 88 88 GLY H H 1 8.594 0.01 . 1 . . . . 88 G HN . 15168 1 900 . 1 1 88 88 GLY HA2 H 1 3.796 0.01 . 1 . . . . 88 G HA2 . 15168 1 901 . 1 1 88 88 GLY HA3 H 1 3.969 0.01 . 1 . . . . 88 G HA3 . 15168 1 902 . 1 1 88 88 GLY C C 13 173.571 0.1 . 1 . . . . 88 G CO . 15168 1 903 . 1 1 88 88 GLY CA C 13 45.352 0.1 . 1 . . . . 88 G CA . 15168 1 904 . 1 1 88 88 GLY N N 15 110.895 0.1 . 1 . . . . 88 G N . 15168 1 905 . 1 1 89 89 SER H H 1 7.784 0.01 . 1 . . . . 89 S HN . 15168 1 906 . 1 1 89 89 SER C C 13 178.668 0.1 . 1 . . . . 89 S CO . 15168 1 907 . 1 1 89 89 SER CA C 13 60.055 0.1 . 1 . . . . 89 S CA . 15168 1 908 . 1 1 89 89 SER CB C 13 64.934 0.1 . 1 . . . . 89 S CB . 15168 1 909 . 1 1 89 89 SER N N 15 121.177 0.1 . 1 . . . . 89 S N . 15168 1 stop_ save_