data_15163 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15163 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for LARG PDZ domain in complex with C-terminal octa-peptide of Plexin B1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-07 _Entry.Accession_date 2007-03-07 _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 J. Liu J. . . 15163 2 H. Huang H. . . 15163 3 Y. Yang Y. . . 15163 4 Jihui Wu . . . 15163 5 Yunyu Shi . . . 15163 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cell adhesion' 'cell adhesion' 15163 'cytoskeleton rearrangement' 'cytoskeleton rearrangement' 15163 'nerve system development' 'nerve system development' 15163 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15163 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 251 15163 '15N chemical shifts' 83 15163 '1H chemical shifts' 616 15163 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 2007-03-07 original author . 15163 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15168 'LARG PDZ domain' 15163 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15163 _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. . . 15163 1 2 Jiahai Zhang J. . . 15163 1 3 Yinshan Yang Y. . . 15163 1 4 Hongda Huang H. . . 15163 1 5 Weiqun Shen W. . . 15163 1 6 Qi Hu Q. . . 15163 1 7 Xingsheng Wang X. . . 15163 1 8 Jihui Wu J. . . 15163 1 9 Yunyu Shi Y. . . 15163 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15163 _Assembly.ID 1 _Assembly.Name 'LARG PDZ domain complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'LARG PDZ domain' 1 $LARG_PDZ_domain A . yes native no no . . . 15163 1 2 'C-terminal sequence of Plexin B1' 2 $C-terminal_peptide_of_Plexin-B1 B . yes native no no . . . 15163 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LARG_PDZ_domain _Entity.Sf_category entity _Entity.Sf_framecode LARG_PDZ_domain _Entity.Entry_ID 15163 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rho_guanine_nucleotide_exchange_factor_12 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; 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 man _Entity.Parent_entity_ID . _Entity.Fragment 'PDZ domain' _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 15168 . LARG_PDZ_domain . . . . . 100.00 89 100.00 100.00 4.69e-56 . . . . 15163 1 2 no PDB 2OMJ . "Solution Structure Of Larg Pdz Domain" . . . . . 100.00 89 100.00 100.00 4.69e-56 . . . . 15163 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 . . . . 15163 1 4 no DBJ BAA20836 . "KIAA0382 protein [Homo sapiens]" . . . . . 53.93 1441 100.00 100.00 1.04e-21 . . . . 15163 1 5 no DBJ BAC65549 . "mKIAA0382 protein [Mus musculus]" . . . . . 95.51 1553 98.82 100.00 6.01e-48 . . . . 15163 1 6 no DBJ BAD89994 . "guanine nucleotide exchange factor [Bos taurus]" . . . . . 95.51 1544 100.00 100.00 4.38e-48 . . . . 15163 1 7 no DBJ BAG57923 . "unnamed protein product [Homo sapiens]" . . . . . 53.93 1078 100.00 100.00 8.17e-22 . . . . 15163 1 8 no DBJ BAG65168 . "unnamed protein product [Homo sapiens]" . . . . . 95.51 1278 100.00 100.00 3.09e-48 . . . . 15163 1 9 no GB AAF36817 . "guanine nucleotide exchange factor [Homo sapiens]" . . . . . 95.51 1544 100.00 100.00 4.38e-48 . . . . 15163 1 10 no GB AAH63117 . "ARHGEF12 protein, partial [Homo sapiens]" . . . . . 95.51 573 100.00 100.00 1.85e-49 . . . . 15163 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 . . . . 15163 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 . . . . 15163 1 13 no GB AAL87100 . "guanine nucleotide exchange factor [Mus musculus]" . . . . . 95.51 1543 98.82 100.00 5.97e-48 . . . . 15163 1 14 no REF NP_001013264 . "rho guanine nucleotide exchange factor 12 [Rattus norvegicus]" . . . . . 95.51 1546 98.82 100.00 6.28e-48 . . . . 15163 1 15 no REF NP_001116505 . "rho guanine nucleotide exchange factor 12 [Bos taurus]" . . . . . 95.51 1544 100.00 100.00 4.38e-48 . . . . 15163 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 . . . . 15163 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 . . . . 15163 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 . . . . 15163 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 . . . . 15163 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 . . . . 15163 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 . . . . 15163 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 3D-structure SWS-KEYWORD 15163 1 'Alternative splicing' SWS-KEYWORD 15163 1 'Leukemia-associated RhoGEF' SWS-SYNONYM 15163 1 'Rho guanine nucleotide exchange factor 12' RCSB_NAME 15163 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 . 15163 1 2 . SER . 15163 1 3 . HIS . 15163 1 4 . MET . 15163 1 5 . GLY . 15163 1 6 . LEU . 15163 1 7 . VAL . 15163 1 8 . GLN . 15163 1 9 . ARG . 15163 1 10 . CYS . 15163 1 11 . VAL . 15163 1 12 . ILE . 15163 1 13 . ILE . 15163 1 14 . GLN . 15163 1 15 . LYS . 15163 1 16 . ASP . 15163 1 17 . ASP . 15163 1 18 . ASN . 15163 1 19 . GLY . 15163 1 20 . PHE . 15163 1 21 . GLY . 15163 1 22 . LEU . 15163 1 23 . THR . 15163 1 24 . VAL . 15163 1 25 . SER . 15163 1 26 . GLY . 15163 1 27 . ASP . 15163 1 28 . ASN . 15163 1 29 . PRO . 15163 1 30 . VAL . 15163 1 31 . PHE . 15163 1 32 . VAL . 15163 1 33 . GLN . 15163 1 34 . SER . 15163 1 35 . VAL . 15163 1 36 . LYS . 15163 1 37 . GLU . 15163 1 38 . ASP . 15163 1 39 . GLY . 15163 1 40 . ALA . 15163 1 41 . ALA . 15163 1 42 . MET . 15163 1 43 . ARG . 15163 1 44 . ALA . 15163 1 45 . GLY . 15163 1 46 . VAL . 15163 1 47 . GLN . 15163 1 48 . THR . 15163 1 49 . GLY . 15163 1 50 . ASP . 15163 1 51 . ARG . 15163 1 52 . ILE . 15163 1 53 . ILE . 15163 1 54 . LYS . 15163 1 55 . VAL . 15163 1 56 . ASN . 15163 1 57 . GLY . 15163 1 58 . THR . 15163 1 59 . LEU . 15163 1 60 . VAL . 15163 1 61 . THR . 15163 1 62 . HIS . 15163 1 63 . SER . 15163 1 64 . ASN . 15163 1 65 . HIS . 15163 1 66 . LEU . 15163 1 67 . GLU . 15163 1 68 . VAL . 15163 1 69 . VAL . 15163 1 70 . LYS . 15163 1 71 . LEU . 15163 1 72 . ILE . 15163 1 73 . LYS . 15163 1 74 . SER . 15163 1 75 . GLY . 15163 1 76 . SER . 15163 1 77 . TYR . 15163 1 78 . VAL . 15163 1 79 . ALA . 15163 1 80 . LEU . 15163 1 81 . THR . 15163 1 82 . VAL . 15163 1 83 . GLN . 15163 1 84 . GLY . 15163 1 85 . ARG . 15163 1 86 . PRO . 15163 1 87 . PRO . 15163 1 88 . GLY . 15163 1 89 . SER . 15163 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 15163 1 . SER 2 2 15163 1 . HIS 3 3 15163 1 . MET 4 4 15163 1 . GLY 5 5 15163 1 . LEU 6 6 15163 1 . VAL 7 7 15163 1 . GLN 8 8 15163 1 . ARG 9 9 15163 1 . CYS 10 10 15163 1 . VAL 11 11 15163 1 . ILE 12 12 15163 1 . ILE 13 13 15163 1 . GLN 14 14 15163 1 . LYS 15 15 15163 1 . ASP 16 16 15163 1 . ASP 17 17 15163 1 . ASN 18 18 15163 1 . GLY 19 19 15163 1 . PHE 20 20 15163 1 . GLY 21 21 15163 1 . LEU 22 22 15163 1 . THR 23 23 15163 1 . VAL 24 24 15163 1 . SER 25 25 15163 1 . GLY 26 26 15163 1 . ASP 27 27 15163 1 . ASN 28 28 15163 1 . PRO 29 29 15163 1 . VAL 30 30 15163 1 . PHE 31 31 15163 1 . VAL 32 32 15163 1 . GLN 33 33 15163 1 . SER 34 34 15163 1 . VAL 35 35 15163 1 . LYS 36 36 15163 1 . GLU 37 37 15163 1 . ASP 38 38 15163 1 . GLY 39 39 15163 1 . ALA 40 40 15163 1 . ALA 41 41 15163 1 . MET 42 42 15163 1 . ARG 43 43 15163 1 . ALA 44 44 15163 1 . GLY 45 45 15163 1 . VAL 46 46 15163 1 . GLN 47 47 15163 1 . THR 48 48 15163 1 . GLY 49 49 15163 1 . ASP 50 50 15163 1 . ARG 51 51 15163 1 . ILE 52 52 15163 1 . ILE 53 53 15163 1 . LYS 54 54 15163 1 . VAL 55 55 15163 1 . ASN 56 56 15163 1 . GLY 57 57 15163 1 . THR 58 58 15163 1 . LEU 59 59 15163 1 . VAL 60 60 15163 1 . THR 61 61 15163 1 . HIS 62 62 15163 1 . SER 63 63 15163 1 . ASN 64 64 15163 1 . HIS 65 65 15163 1 . LEU 66 66 15163 1 . GLU 67 67 15163 1 . VAL 68 68 15163 1 . VAL 69 69 15163 1 . LYS 70 70 15163 1 . LEU 71 71 15163 1 . ILE 72 72 15163 1 . LYS 73 73 15163 1 . SER 74 74 15163 1 . GLY 75 75 15163 1 . SER 76 76 15163 1 . TYR 77 77 15163 1 . VAL 78 78 15163 1 . ALA 79 79 15163 1 . LEU 80 80 15163 1 . THR 81 81 15163 1 . VAL 82 82 15163 1 . GLN 83 83 15163 1 . GLY 84 84 15163 1 . ARG 85 85 15163 1 . PRO 86 86 15163 1 . PRO 87 87 15163 1 . GLY 88 88 15163 1 . SER 89 89 15163 1 stop_ save_ save_C-terminal_peptide_of_Plexin-B1 _Entity.Sf_category entity _Entity.Sf_framecode C-terminal_peptide_of_Plexin-B1 _Entity.Entry_ID 15163 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name C-terminal_peptide_of_Plexin-B1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code VENKVTDL _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 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method syn _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 . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Alternative splicing' SWS-KEYWORD 15163 2 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 . VAL . 15163 2 2 . GLU . 15163 2 3 . ASN . 15163 2 4 . LYS . 15163 2 5 . VAL . 15163 2 6 . THR . 15163 2 7 . ASP . 15163 2 8 . LEU . 15163 2 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 . VAL 1 1 15163 2 . GLU 2 2 15163 2 . ASN 3 3 15163 2 . LYS 4 4 15163 2 . VAL 5 5 15163 2 . THR 6 6 15163 2 . ASP 7 7 15163 2 . LEU 8 8 15163 2 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 15163 _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 . . . . . . . . . . . . . . . . . . . . . 15163 1 2 2 $C-terminal_peptide_of_Plexin-B1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15163 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 15163 _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' bacteria . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . 'pET15b (+)' . . . . . . 15163 1 2 2 $C-terminal_peptide_of_Plexin-B1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15163 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15163 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8mM 15N, 13C-labeled LARG PDZ domain, 5mM EDTA, 1mM DTT, 7.6mM synthetic peptide, 50mM phosphate buffer, 90% H2O, 10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '50mM phosphate buffer, 90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'LARG PDZ domain' '[U-100% 13C; U-100% 15N]' . . 1 $LARG_PDZ_domain . . 0.8 . . mM . . . . 15163 1 2 'C-terminal peptide of Plexin-B1' 'natural abundance' . . 2 $C-terminal_peptide_of_Plexin-B1 . . 7.6 . . mM . . . . 15163 1 3 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 15163 1 4 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 15163 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15163 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15163 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15163 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8mM 15N, 13C-labeled LARG PDZ domain, 5mM EDTA, 1mM DTT, 7.6mM synthetic peptide, 50mM phosphate buffer, 99.9% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '50mM phosphate buffer, 99.9% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'LARG PDZ domain' '[U-100% 13C; U-100% 15N]' . . 1 $LARG_PDZ_domain . . 0.8 . . mM . . . . 15163 2 2 'C-terminal peptide of Plexin-B1' 'natural abundance' . . 2 $C-terminal_peptide_of_Plexin-B1 . . 7.6 . . mM . . . . 15163 2 3 D2O '[U-100% 2H]' . . . . . . 99.9 . . % . . . . 15163 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15163 2 5 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 15163 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 15163 _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 15163 1 pH 6.0 . pH 15163 1 pressure 1 . atm 15163 1 temperature 293 . K 15163 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15163 _Software.ID 1 _Software.Name CNS _Software.Version 'Cns 1.1' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. etall' . . 15163 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15163 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15163 _Software.ID 2 _Software.Name NMRPipe _Software.Version 'Nmrpipe 2.2' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID F.Delaglio . . 15163 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15163 2 stop_ save_ save_Sparky_3 _Software.Sf_category software _Software.Sf_framecode Sparky_3 _Software.Entry_ID 15163 _Software.ID 3 _Software.Name Sparky_3 _Software.Version 'Sparky 3' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T.D.Goddard and D.G.Kneller' . . 15163 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15163 3 stop_ save_ save_Molmol_2k.2 _Software.Sf_category software _Software.Sf_framecode Molmol_2k.2 _Software.Entry_ID 15163 _Software.ID 4 _Software.Name Molmol_2k.2 _Software.Version 'Molmol 2k.2' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Koradi . . 15163 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15163 4 stop_ save_ save_Csi_1.0 _Software.Sf_category software _Software.Sf_framecode Csi_1.0 _Software.Entry_ID 15163 _Software.ID 5 _Software.Name Csi_1.0 _Software.Version 'Csi 1.0' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'David S. Wishart' . . 15163 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15163 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15163 _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 15163 _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 15163 _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 . . . 15163 1 2 spectrometer_2 Bruker DMX . 600 . . . 15163 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 15163 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15163 1 2 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15163 1 3 '2D, 13C, 15N-filtered, 13C-edited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15163 1 4 DQF-COSY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15163 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15163 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15163 1 7 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15163 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 15163 _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 carbons' . . . . ppm 0 . indirect 0.251449530 . . . . . . . . . 15163 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 15163 1 N 15 DSS nitrogen . . . . ppm 0 . indirect 0.101329118 . . . . . . . . . 15163 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 15163 _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' . . . 15163 1 2 '3D HBHA(CO)NH' . . . 15163 1 3 '2D, 13C, 15N-filtered, 13C-edited NOESY' . . . 15163 1 4 DQF-COSY . . . 15163 1 5 '3D C(CO)NH' . . . 15163 1 6 '3D HCCH-TOCSY' . . . 15163 1 7 '3D HCCH-COSY' . . . 15163 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 HA H 1 4.604 0.01 . 1 . . . . 3 H HA . 15163 1 2 . 1 1 3 3 HIS HB2 H 1 3.133 0.01 . 1 . . . . 3 H HB2 . 15163 1 3 . 1 1 3 3 HIS HB3 H 1 3.047 0.01 . 1 . . . . 3 H HB3 . 15163 1 4 . 1 1 3 3 HIS CA C 13 55.496 0.1 . 1 . . . . 3 H CA . 15163 1 5 . 1 1 3 3 HIS CB C 13 29.185 0.1 . 1 . . . . 3 H CB . 15163 1 6 . 1 1 4 4 MET H H 1 8.49 0.01 . 1 . . . . 4 M HN . 15163 1 7 . 1 1 4 4 MET HA H 1 4.346 0.01 . 1 . . . . 4 M HA . 15163 1 8 . 1 1 4 4 MET HB2 H 1 1.876 0.01 . 1 . . . . 4 M HB2 . 15163 1 9 . 1 1 4 4 MET HB3 H 1 1.972 0.01 . 1 . . . . 4 M HB3 . 15163 1 10 . 1 1 4 4 MET HG2 H 1 2.467 0.01 . 1 . . . . 4 M HG2 . 15163 1 11 . 1 1 4 4 MET HG3 H 1 2.379 0.01 . 1 . . . . 4 M HG3 . 15163 1 12 . 1 1 4 4 MET CA C 13 55.628 0.1 . 1 . . . . 4 M CA . 15163 1 13 . 1 1 4 4 MET CB C 13 32.523 0.1 . 1 . . . . 4 M CB . 15163 1 14 . 1 1 4 4 MET CG C 13 31.604 0.1 . 1 . . . . 4 M CG . 15163 1 15 . 1 1 4 4 MET N N 15 121.661 0.1 . 1 . . . . 4 M N . 15163 1 16 . 1 1 5 5 GLY H H 1 8.471 0.01 . 1 . . . . 5 G HN . 15163 1 17 . 1 1 5 5 GLY HA2 H 1 3.792 0.01 . 1 . . . . 5 G HA# . 15163 1 18 . 1 1 5 5 GLY HA3 H 1 3.792 0.01 . 1 . . . . 5 G HA# . 15163 1 19 . 1 1 5 5 GLY CA C 13 45.236 0.1 . 1 . . . . 5 G CA . 15163 1 20 . 1 1 5 5 GLY N N 15 110.024 0.1 . 1 . . . . 5 G N . 15163 1 21 . 1 1 6 6 LEU H H 1 8.031 0.01 . 1 . . . . 6 L HN . 15163 1 22 . 1 1 6 6 LEU HA H 1 4.349 0.01 . 1 . . . . 6 L HA . 15163 1 23 . 1 1 6 6 LEU HB2 H 1 1.242 0.01 . 1 . . . . 6 L HB2 . 15163 1 24 . 1 1 6 6 LEU HB3 H 1 1.531 0.01 . 1 . . . . 6 L HB3 . 15163 1 25 . 1 1 6 6 LEU HG H 1 1.474 0.01 . 1 . . . . 6 L HG . 15163 1 26 . 1 1 6 6 LEU HD11 H 1 0.721 0.01 . 1 . . . . 6 L HD1# . 15163 1 27 . 1 1 6 6 LEU HD12 H 1 0.721 0.01 . 1 . . . . 6 L HD1# . 15163 1 28 . 1 1 6 6 LEU HD13 H 1 0.721 0.01 . 1 . . . . 6 L HD1# . 15163 1 29 . 1 1 6 6 LEU HD21 H 1 0.643 0.01 . 1 . . . . 6 L HD2# . 15163 1 30 . 1 1 6 6 LEU HD22 H 1 0.643 0.01 . 1 . . . . 6 L HD2# . 15163 1 31 . 1 1 6 6 LEU HD23 H 1 0.643 0.01 . 1 . . . . 6 L HD2# . 15163 1 32 . 1 1 6 6 LEU CA C 13 54.386 0.1 . 1 . . . . 6 L CA . 15163 1 33 . 1 1 6 6 LEU CB C 13 42.895 0.1 . 1 . . . . 6 L CB . 15163 1 34 . 1 1 6 6 LEU CG C 13 26.685 0.1 . 1 . . . . 6 L CG . 15163 1 35 . 1 1 6 6 LEU CD1 C 13 24.983 0.1 . 1 . . . . 6 L CD1 . 15163 1 36 . 1 1 6 6 LEU CD2 C 13 22.777 0.1 . 1 . . . . 6 L CD2 . 15163 1 37 . 1 1 6 6 LEU N N 15 120.212 0.1 . 1 . . . . 6 L N . 15163 1 38 . 1 1 7 7 VAL H H 1 8.654 0.01 . 1 . . . . 7 V HN . 15163 1 39 . 1 1 7 7 VAL HA H 1 4.242 0.01 . 1 . . . . 7 V HA . 15163 1 40 . 1 1 7 7 VAL HB H 1 1.928 0.01 . 1 . . . . 7 V HB . 15163 1 41 . 1 1 7 7 VAL HG11 H 1 0.801 0.01 . 1 . . . . 7 V HG1 . 15163 1 42 . 1 1 7 7 VAL HG12 H 1 0.801 0.01 . 1 . . . . 7 V HG1 . 15163 1 43 . 1 1 7 7 VAL HG13 H 1 0.801 0.01 . 1 . . . . 7 V HG1 . 15163 1 44 . 1 1 7 7 VAL HG21 H 1 0.801 0.01 . 1 . . . . 7 V HG2 . 15163 1 45 . 1 1 7 7 VAL HG22 H 1 0.801 0.01 . 1 . . . . 7 V HG2 . 15163 1 46 . 1 1 7 7 VAL HG23 H 1 0.801 0.01 . 1 . . . . 7 V HG2 . 15163 1 47 . 1 1 7 7 VAL CA C 13 61.059 0.1 . 1 . . . . 7 V CA . 15163 1 48 . 1 1 7 7 VAL CB C 13 34.077 0.1 . 1 . . . . 7 V CB . 15163 1 49 . 1 1 7 7 VAL CG1 C 13 21.475 0.1 . 1 . . . . 7 V CG# . 15163 1 50 . 1 1 7 7 VAL CG2 C 13 21.475 0.1 . 1 . . . . 7 V CG# . 15163 1 51 . 1 1 7 7 VAL N N 15 119.589 0.1 . 1 . . . . 7 V N . 15163 1 52 . 1 1 8 8 GLN H H 1 8.617 0.01 . 1 . . . . 8 Q HN . 15163 1 53 . 1 1 8 8 GLN HA H 1 5.226 0.01 . 1 . . . . 8 Q HA . 15163 1 54 . 1 1 8 8 GLN HB2 H 1 1.795 0.01 . 1 . . . . 8 Q HB# . 15163 1 55 . 1 1 8 8 GLN HB3 H 1 1.795 0.01 . 1 . . . . 8 Q HB# . 15163 1 56 . 1 1 8 8 GLN HG2 H 1 2.12 0.01 . 1 . . . . 8 Q HG2 . 15163 1 57 . 1 1 8 8 GLN HG3 H 1 1.984 0.01 . 1 . . . . 8 Q HG3 . 15163 1 58 . 1 1 8 8 GLN CA C 13 54.65 0.1 . 1 . . . . 8 Q CA . 15163 1 59 . 1 1 8 8 GLN CB C 13 30.799 0.1 . 1 . . . . 8 Q CB . 15163 1 60 . 1 1 8 8 GLN CG C 13 34.806 0.1 . 1 . . . . 8 Q CG . 15163 1 61 . 1 1 8 8 GLN N N 15 124.812 0.1 . 1 . . . . 8 Q N . 15163 1 62 . 1 1 9 9 ARG H H 1 9.018 0.01 . 1 . . . . 9 R HN . 15163 1 63 . 1 1 9 9 ARG HA H 1 4.636 0.01 . 1 . . . . 9 R HA . 15163 1 64 . 1 1 9 9 ARG HB2 H 1 1.547 0.01 . 1 . . . . 9 R HB# . 15163 1 65 . 1 1 9 9 ARG HB3 H 1 1.547 0.01 . 1 . . . . 9 R HB# . 15163 1 66 . 1 1 9 9 ARG HG2 H 1 1.204 0.01 . 1 . . . . 9 R HG2 . 15163 1 67 . 1 1 9 9 ARG HG3 H 1 1.453 0.01 . 1 . . . . 9 R HG3 . 15163 1 68 . 1 1 9 9 ARG HD2 H 1 2.921 0.01 . 1 . . . . 9 R HD2 . 15163 1 69 . 1 1 9 9 ARG HD3 H 1 3.015 0.01 . 1 . . . . 9 R HD3 . 15163 1 70 . 1 1 9 9 ARG CA C 13 54.397 0.1 . 1 . . . . 9 R CA . 15163 1 71 . 1 1 9 9 ARG CB C 13 32.734 0.1 . 1 . . . . 9 R CB . 15163 1 72 . 1 1 9 9 ARG CG C 13 27.479 0.1 . 1 . . . . 9 R CG . 15163 1 73 . 1 1 9 9 ARG CD C 13 42.838 0.1 . 1 . . . . 9 R CD . 15163 1 74 . 1 1 9 9 ARG N N 15 122.417 0.1 . 1 . . . . 9 R N . 15163 1 75 . 1 1 10 10 CYS H H 1 8.779 0.01 . 1 . . . . 10 C HN . 15163 1 76 . 1 1 10 10 CYS HA H 1 5.246 0.01 . 1 . . . . 10 C HA . 15163 1 77 . 1 1 10 10 CYS HB2 H 1 2.603 0.01 . 1 . . . . 10 C HB2 . 15163 1 78 . 1 1 10 10 CYS HB3 H 1 2.757 0.01 . 1 . . . . 10 C HB3 . 15163 1 79 . 1 1 10 10 CYS CA C 13 57.418 0.1 . 1 . . . . 10 C CA . 15163 1 80 . 1 1 10 10 CYS CB C 13 28.124 0.1 . 1 . . . . 10 C CB . 15163 1 81 . 1 1 10 10 CYS N N 15 121.645 0.1 . 1 . . . . 10 C N . 15163 1 82 . 1 1 11 11 VAL H H 1 9.077 0.01 . 1 . . . . 11 V HN . 15163 1 83 . 1 1 11 11 VAL HA H 1 4.495 0.01 . 1 . . . . 11 V HA . 15163 1 84 . 1 1 11 11 VAL HB H 1 1.865 0.01 . 1 . . . . 11 V HB . 15163 1 85 . 1 1 11 11 VAL HG11 H 1 0.646 0.01 . 1 . . . . 11 V HG1# . 15163 1 86 . 1 1 11 11 VAL HG12 H 1 0.646 0.01 . 1 . . . . 11 V HG1# . 15163 1 87 . 1 1 11 11 VAL HG13 H 1 0.646 0.01 . 1 . . . . 11 V HG1# . 15163 1 88 . 1 1 11 11 VAL HG21 H 1 0.683 0.01 . 1 . . . . 11 V HG2# . 15163 1 89 . 1 1 11 11 VAL HG22 H 1 0.683 0.01 . 1 . . . . 11 V HG2# . 15163 1 90 . 1 1 11 11 VAL HG23 H 1 0.683 0.01 . 1 . . . . 11 V HG2# . 15163 1 91 . 1 1 11 11 VAL CA C 13 59.698 0.1 . 1 . . . . 11 V CA . 15163 1 92 . 1 1 11 11 VAL CB C 13 34.762 0.1 . 1 . . . . 11 V CB . 15163 1 93 . 1 1 11 11 VAL CG1 C 13 19.893 0.1 . 1 . . . . 11 V CG1 . 15163 1 94 . 1 1 11 11 VAL CG2 C 13 22.009 0.1 . 1 . . . . 11 V CG2 . 15163 1 95 . 1 1 11 11 VAL N N 15 124.924 0.1 . 1 . . . . 11 V N . 15163 1 96 . 1 1 12 12 ILE H H 1 8.691 0.01 . 1 . . . . 12 I HN . 15163 1 97 . 1 1 12 12 ILE HA H 1 4.907 0.01 . 1 . . . . 12 I HA . 15163 1 98 . 1 1 12 12 ILE HB H 1 1.695 0.01 . 1 . . . . 12 I HB . 15163 1 99 . 1 1 12 12 ILE HG12 H 1 1.392 0.01 . 1 . . . . 12 I HG12 . 15163 1 100 . 1 1 12 12 ILE HG13 H 1 1.008 0.01 . 1 . . . . 12 I HG13 . 15163 1 101 . 1 1 12 12 ILE HG21 H 1 0.659 0.01 . 1 . . . . 12 I HG2# . 15163 1 102 . 1 1 12 12 ILE HG22 H 1 0.659 0.01 . 1 . . . . 12 I HG2# . 15163 1 103 . 1 1 12 12 ILE HG23 H 1 0.659 0.01 . 1 . . . . 12 I HG2# . 15163 1 104 . 1 1 12 12 ILE HD11 H 1 0.685 0.01 . 1 . . . . 12 I HD1# . 15163 1 105 . 1 1 12 12 ILE HD12 H 1 0.685 0.01 . 1 . . . . 12 I HD1# . 15163 1 106 . 1 1 12 12 ILE HD13 H 1 0.685 0.01 . 1 . . . . 12 I HD1# . 15163 1 107 . 1 1 12 12 ILE CA C 13 59.653 0.1 . 1 . . . . 12 I CA . 15163 1 108 . 1 1 12 12 ILE CB C 13 38.562 0.1 . 1 . . . . 12 I CB . 15163 1 109 . 1 1 12 12 ILE CG1 C 13 27.974 0.1 . 1 . . . . 12 I CG1 . 15163 1 110 . 1 1 12 12 ILE CG2 C 13 17.673 0.1 . 1 . . . . 12 I CG2 . 15163 1 111 . 1 1 12 12 ILE CD1 C 13 12.979 0.1 . 1 . . . . 12 I CD1 . 15163 1 112 . 1 1 12 12 ILE N N 15 126.127 0.1 . 1 . . . . 12 I N . 15163 1 113 . 1 1 13 13 ILE H H 1 9.082 0.01 . 1 . . . . 13 I HN . 15163 1 114 . 1 1 13 13 ILE HA H 1 4.287 0.01 . 1 . . . . 13 I HA . 15163 1 115 . 1 1 13 13 ILE HB H 1 1.723 0.01 . 1 . . . . 13 I HB . 15163 1 116 . 1 1 13 13 ILE HG12 H 1 1.455 0.01 . 1 . . . . 13 I HG1# . 15163 1 117 . 1 1 13 13 ILE HG13 H 1 1.455 0.01 . 1 . . . . 13 I HG1# . 15163 1 118 . 1 1 13 13 ILE HG21 H 1 0.863 0.01 . 1 . . . . 13 I HG2# . 15163 1 119 . 1 1 13 13 ILE HG22 H 1 0.863 0.01 . 1 . . . . 13 I HG2# . 15163 1 120 . 1 1 13 13 ILE HG23 H 1 0.863 0.01 . 1 . . . . 13 I HG2# . 15163 1 121 . 1 1 13 13 ILE HD11 H 1 0.547 0.01 . 1 . . . . 13 I HD1# . 15163 1 122 . 1 1 13 13 ILE HD12 H 1 0.547 0.01 . 1 . . . . 13 I HD1# . 15163 1 123 . 1 1 13 13 ILE HD13 H 1 0.547 0.01 . 1 . . . . 13 I HD1# . 15163 1 124 . 1 1 13 13 ILE CA C 13 60.146 0.1 . 1 . . . . 13 I CA . 15163 1 125 . 1 1 13 13 ILE CB C 13 40.156 0.1 . 1 . . . . 13 I CB . 15163 1 126 . 1 1 13 13 ILE CG1 C 13 26.378 0.1 . 1 . . . . 13 I CG1 . 15163 1 127 . 1 1 13 13 ILE CG2 C 13 20.307 0.1 . 1 . . . . 13 I CG2 . 15163 1 128 . 1 1 13 13 ILE CD1 C 13 15.187 0.1 . 1 . . . . 13 I CD1 . 15163 1 129 . 1 1 13 13 ILE N N 15 125.054 0.1 . 1 . . . . 13 I N . 15163 1 130 . 1 1 14 14 GLN H H 1 8.693 0.01 . 1 . . . . 14 Q HN . 15163 1 131 . 1 1 14 14 GLN HA H 1 4.614 0.01 . 1 . . . . 14 Q HA . 15163 1 132 . 1 1 14 14 GLN HB2 H 1 1.76 0.01 . 1 . . . . 14 Q HB2 . 15163 1 133 . 1 1 14 14 GLN HB3 H 1 1.927 0.01 . 1 . . . . 14 Q HB3 . 15163 1 134 . 1 1 14 14 GLN HG2 H 1 1.939 0.01 . 1 . . . . 14 Q HG2 . 15163 1 135 . 1 1 14 14 GLN HG3 H 1 2.157 0.01 . 1 . . . . 14 Q HG3 . 15163 1 136 . 1 1 14 14 GLN CA C 13 54.035 0.1 . 1 . . . . 14 Q CA . 15163 1 137 . 1 1 14 14 GLN CB C 13 29.453 0.1 . 1 . . . . 14 Q CB . 15163 1 138 . 1 1 14 14 GLN CG C 13 32.924 0.1 . 1 . . . . 14 Q CG . 15163 1 139 . 1 1 14 14 GLN N N 15 127.999 0.1 . 1 . . . . 14 Q N . 15163 1 140 . 1 1 15 15 LYS H H 1 8.069 0.01 . 1 . . . . 15 K HN . 15163 1 141 . 1 1 15 15 LYS HA H 1 3.288 0.01 . 1 . . . . 15 K HA . 15163 1 142 . 1 1 15 15 LYS HB2 H 1 0.64 0.01 . 1 . . . . 15 K HB2 . 15163 1 143 . 1 1 15 15 LYS HB3 H 1 0.83 0.01 . 1 . . . . 15 K HB3 . 15163 1 144 . 1 1 15 15 LYS HG2 H 1 0.32 0.01 . 1 . . . . 15 K HG# . 15163 1 145 . 1 1 15 15 LYS HG3 H 1 0.32 0.01 . 1 . . . . 15 K HG# . 15163 1 146 . 1 1 15 15 LYS HD2 H 1 1.203 0.01 . 1 . . . . 15 K HD2 . 15163 1 147 . 1 1 15 15 LYS HD3 H 1 1.156 0.01 . 1 . . . . 15 K HD3 . 15163 1 148 . 1 1 15 15 LYS HE2 H 1 2.633 0.01 . 1 . . . . 15 K HE# . 15163 1 149 . 1 1 15 15 LYS HE3 H 1 2.633 0.01 . 1 . . . . 15 K HE# . 15163 1 150 . 1 1 15 15 LYS CA C 13 57.278 0.1 . 1 . . . . 15 K CA . 15163 1 151 . 1 1 15 15 LYS CB C 13 32.141 0.1 . 1 . . . . 15 K CB . 15163 1 152 . 1 1 15 15 LYS CG C 13 23.266 0.1 . 1 . . . . 15 K CG . 15163 1 153 . 1 1 15 15 LYS CD C 13 29.584 0.1 . 1 . . . . 15 K CD . 15163 1 154 . 1 1 15 15 LYS CE C 13 41.583 0.1 . 1 . . . . 15 K CE . 15163 1 155 . 1 1 15 15 LYS N N 15 124.991 0.1 . 1 . . . . 15 K N . 15163 1 156 . 1 1 16 16 ASP H H 1 7.698 0.01 . 1 . . . . 16 D HN . 15163 1 157 . 1 1 16 16 ASP HA H 1 4.798 0.01 . 1 . . . . 16 D HA . 15163 1 158 . 1 1 16 16 ASP HB2 H 1 2.614 0.01 . 1 . . . . 16 D HB2 . 15163 1 159 . 1 1 16 16 ASP HB3 H 1 3.105 0.01 . 1 . . . . 16 D HB3 . 15163 1 160 . 1 1 16 16 ASP CA C 13 52.285 0.1 . 1 . . . . 16 D CA . 15163 1 161 . 1 1 16 16 ASP CB C 13 41.813 0.1 . 1 . . . . 16 D CB . 15163 1 162 . 1 1 16 16 ASP N N 15 123.764 0.1 . 1 . . . . 16 D N . 15163 1 163 . 1 1 17 17 ASP H H 1 8.577 0.01 . 1 . . . . 17 D HN . 15163 1 164 . 1 1 17 17 ASP HA H 1 4.195 0.01 . 1 . . . . 17 D HA . 15163 1 165 . 1 1 17 17 ASP HB2 H 1 2.573 0.01 . 1 . . . . 17 D HB2 . 15163 1 166 . 1 1 17 17 ASP HB3 H 1 2.433 0.01 . 1 . . . . 17 D HB3 . 15163 1 167 . 1 1 17 17 ASP CA C 13 57.105 0.1 . 1 . . . . 17 D CA . 15163 1 168 . 1 1 17 17 ASP CB C 13 40.077 0.1 . 1 . . . . 17 D CB . 15163 1 169 . 1 1 17 17 ASP N N 15 118.993 0.01 . 1 . . . . 17 D N . 15163 1 170 . 1 1 18 18 ASN H H 1 8.703 0.01 . 1 . . . . 18 N HN . 15163 1 171 . 1 1 18 18 ASN HA H 1 4.761 0.01 . 1 . . . . 18 N HA . 15163 1 172 . 1 1 18 18 ASN HB2 H 1 2.748 0.01 . 1 . . . . 18 N HB2 . 15163 1 173 . 1 1 18 18 ASN HB3 H 1 2.68 0.01 . 1 . . . . 18 N HB3 . 15163 1 174 . 1 1 18 18 ASN CA C 13 52.782 0.1 . 1 . . . . 18 N CA . 15163 1 175 . 1 1 18 18 ASN CB C 13 39.146 0.1 . 1 . . . . 18 N CB . 15163 1 176 . 1 1 18 18 ASN N N 15 115.468 0.1 . 1 . . . . 18 N N . 15163 1 177 . 1 1 19 19 GLY H H 1 7.881 0.01 . 1 . . . . 19 G HN . 15163 1 178 . 1 1 19 19 GLY HA2 H 1 3.264 0.01 . 1 . . . . 19 G HA2 . 15163 1 179 . 1 1 19 19 GLY HA3 H 1 4.468 0.01 . 1 . . . . 19 G HA3 . 15163 1 180 . 1 1 19 19 GLY CA C 13 44.71 0.1 . 1 . . . . 19 G CA . 15163 1 181 . 1 1 19 19 GLY N N 15 108.75 0.1 . 1 . . . . 19 G N . 15163 1 182 . 1 1 20 20 PHE H H 1 11.473 0.01 . 1 . . . . 20 F HN . 15163 1 183 . 1 1 20 20 PHE HA H 1 4.177 0.01 . 1 . . . . 20 F HA . 15163 1 184 . 1 1 20 20 PHE HB2 H 1 2.639 0.01 . 1 . . . . 20 F HB2 . 15163 1 185 . 1 1 20 20 PHE HB3 H 1 2.564 0.01 . 1 . . . . 20 F HB3 . 15163 1 186 . 1 1 20 20 PHE HD1 H 1 6.955 0.01 . 1 . . . . 20 F HD# . 15163 1 187 . 1 1 20 20 PHE HD2 H 1 6.955 0.01 . 1 . . . . 20 F HD# . 15163 1 188 . 1 1 20 20 PHE HE1 H 1 7.109 0.01 . 1 . . . . 20 F HE# . 15163 1 189 . 1 1 20 20 PHE HE2 H 1 7.109 0.01 . 1 . . . . 20 F HE# . 15163 1 190 . 1 1 20 20 PHE CA C 13 61.048 0.1 . 1 . . . . 20 F CA . 15163 1 191 . 1 1 20 20 PHE CB C 13 39.684 0.1 . 1 . . . . 20 F CB . 15163 1 192 . 1 1 20 20 PHE N N 15 125.137 0.1 . 1 . . . . 20 F N . 15163 1 193 . 1 1 21 21 GLY H H 1 9.251 0.01 . 1 . . . . 21 G HN . 15163 1 194 . 1 1 21 21 GLY HA2 H 1 3.882 0.01 . 1 . . . . 21 G HA2 . 15163 1 195 . 1 1 21 21 GLY HA3 H 1 4.049 0.01 . 1 . . . . 21 G HA3 . 15163 1 196 . 1 1 21 21 GLY CA C 13 47.055 0.1 . 1 . . . . 21 G CA . 15163 1 197 . 1 1 21 21 GLY N N 15 108.237 0.1 . 1 . . . . 21 G N . 15163 1 198 . 1 1 22 22 LEU H H 1 8.161 0.01 . 1 . . . . 22 L HN . 15163 1 199 . 1 1 22 22 LEU HA H 1 4.986 0.01 . 1 . . . . 22 L HA . 15163 1 200 . 1 1 22 22 LEU HB2 H 1 1.721 0.01 . 1 . . . . 22 L HB2 . 15163 1 201 . 1 1 22 22 LEU HB3 H 1 1.251 0.01 . 1 . . . . 22 L HB3 . 15163 1 202 . 1 1 22 22 LEU HG H 1 1.373 0.01 . 1 . . . . 22 L HG . 15163 1 203 . 1 1 22 22 LEU HD11 H 1 0.58 0.01 . 1 . . . . 22 L HD1# . 15163 1 204 . 1 1 22 22 LEU HD12 H 1 0.58 0.01 . 1 . . . . 22 L HD1# . 15163 1 205 . 1 1 22 22 LEU HD13 H 1 0.58 0.01 . 1 . . . . 22 L HD1# . 15163 1 206 . 1 1 22 22 LEU HD21 H 1 0.485 0.01 . 1 . . . . 22 L HD2# . 15163 1 207 . 1 1 22 22 LEU HD22 H 1 0.485 0.01 . 1 . . . . 22 L HD2# . 15163 1 208 . 1 1 22 22 LEU HD23 H 1 0.485 0.01 . 1 . . . . 22 L HD2# . 15163 1 209 . 1 1 22 22 LEU CA C 13 54.937 0.1 . 1 . . . . 22 L CA . 15163 1 210 . 1 1 22 22 LEU CB C 13 44.647 0.1 . 1 . . . . 22 L CB . 15163 1 211 . 1 1 22 22 LEU CG C 13 26.782 0.1 . 1 . . . . 22 L CG . 15163 1 212 . 1 1 22 22 LEU N N 15 121.72 0.1 . 1 . . . . 22 L N . 15163 1 213 . 1 1 23 23 THR H H 1 8.518 0.01 . 1 . . . . 23 T HN . 15163 1 214 . 1 1 23 23 THR HA H 1 5.224 0.01 . 1 . . . . 23 T HA . 15163 1 215 . 1 1 23 23 THR HB H 1 3.743 0.01 . 1 . . . . 23 T HB . 15163 1 216 . 1 1 23 23 THR HG21 H 1 0.974 0.01 . 1 . . . . 23 T HG2# . 15163 1 217 . 1 1 23 23 THR HG22 H 1 0.974 0.01 . 1 . . . . 23 T HG2# . 15163 1 218 . 1 1 23 23 THR HG23 H 1 0.974 0.01 . 1 . . . . 23 T HG2# . 15163 1 219 . 1 1 23 23 THR CA C 13 61.733 0.1 . 1 . . . . 23 T CA . 15163 1 220 . 1 1 23 23 THR CB C 13 70.326 0.1 . 1 . . . . 23 T CB . 15163 1 221 . 1 1 23 23 THR CG2 C 13 21.75 0.1 . 1 . . . . 23 T CG2 . 15163 1 222 . 1 1 23 23 THR N N 15 118.683 0.1 . 1 . . . . 23 T N . 15163 1 223 . 1 1 24 24 VAL H H 1 8.983 0.01 . 1 . . . . 24 V HN . 15163 1 224 . 1 1 24 24 VAL HA H 1 5.219 0.01 . 1 . . . . 24 V HA . 15163 1 225 . 1 1 24 24 VAL HB H 1 1.86 0.01 . 1 . . . . 24 V HB . 15163 1 226 . 1 1 24 24 VAL HG11 H 1 0.566 0.01 . 1 . . . . 24 V HG1# . 15163 1 227 . 1 1 24 24 VAL HG12 H 1 0.566 0.01 . 1 . . . . 24 V HG1# . 15163 1 228 . 1 1 24 24 VAL HG13 H 1 0.566 0.01 . 1 . . . . 24 V HG1# . 15163 1 229 . 1 1 24 24 VAL HG21 H 1 0.483 0.01 . 1 . . . . 24 V HG2# . 15163 1 230 . 1 1 24 24 VAL HG22 H 1 0.483 0.01 . 1 . . . . 24 V HG2# . 15163 1 231 . 1 1 24 24 VAL HG23 H 1 0.483 0.01 . 1 . . . . 24 V HG2# . 15163 1 232 . 1 1 24 24 VAL CA C 13 57.902 0.1 . 1 . . . . 24 V CA . 15163 1 233 . 1 1 24 24 VAL CB C 13 33.325 0.1 . 1 . . . . 24 V CB . 15163 1 234 . 1 1 24 24 VAL CG1 C 13 18.394 0.1 . 1 . . . . 24 V CG1 . 15163 1 235 . 1 1 24 24 VAL CG2 C 13 22.207 0.1 . 1 . . . . 24 V CG2 . 15163 1 236 . 1 1 24 24 VAL N N 15 118.667 0.1 . 1 . . . . 24 V N . 15163 1 237 . 1 1 25 25 SER H H 1 9.254 0.01 . 1 . . . . 25 S HN . 15163 1 238 . 1 1 25 25 SER HA H 1 5.547 0.01 . 1 . . . . 25 S HA . 15163 1 239 . 1 1 25 25 SER HB2 H 1 2.923 0.01 . 1 . . . . 25 S HB2 . 15163 1 240 . 1 1 25 25 SER HB3 H 1 3.303 0.01 . 1 . . . . 25 S HB3 . 15163 1 241 . 1 1 25 25 SER CA C 13 55.232 0.1 . 1 . . . . 25 S CA . 15163 1 242 . 1 1 25 25 SER CB C 13 66.37 0.1 . 1 . . . . 25 S CB . 15163 1 243 . 1 1 25 25 SER N N 15 116.044 0.1 . 1 . . . . 25 S N . 15163 1 244 . 1 1 26 26 GLY H H 1 8.739 0.01 . 1 . . . . 26 G HN . 15163 1 245 . 1 1 26 26 GLY HA2 H 1 3.826 0.01 . 1 . . . . 26 G HA2 . 15163 1 246 . 1 1 26 26 GLY HA3 H 1 4.289 0.01 . 1 . . . . 26 G HA3 . 15163 1 247 . 1 1 26 26 GLY CA C 13 45.139 0.1 . 1 . . . . 26 G CA . 15163 1 248 . 1 1 26 26 GLY N N 15 109.422 0.1 . 1 . . . . 26 G N . 15163 1 249 . 1 1 27 27 ASP H H 1 7.764 0.01 . 1 . . . . 27 D HN . 15163 1 250 . 1 1 27 27 ASP HA H 1 4.245 0.01 . 1 . . . . 27 D HA . 15163 1 251 . 1 1 27 27 ASP HB2 H 1 2.87 0.01 . 1 . . . . 27 D HB2 . 15163 1 252 . 1 1 27 27 ASP HB3 H 1 3.058 0.01 . 1 . . . . 27 D HB3 . 15163 1 253 . 1 1 27 27 ASP CA C 13 53.647 0.1 . 1 . . . . 27 D CA . 15163 1 254 . 1 1 27 27 ASP CB C 13 42.179 0.1 . 1 . . . . 27 D CB . 15163 1 255 . 1 1 27 27 ASP N N 15 111.977 0.1 . 1 . . . . 27 D N . 15163 1 256 . 1 1 28 28 ASN H H 1 9.581 0.01 . 1 . . . . 28 N HN . 15163 1 257 . 1 1 28 28 ASN HA H 1 4.468 0.01 . 1 . . . . 28 N HA . 15163 1 258 . 1 1 28 28 ASN HB2 H 1 2.849 0.01 . 1 . . . . 28 D HB2 . 15163 1 259 . 1 1 28 28 ASN HB3 H 1 2.745 0.01 . 1 . . . . 28 N HB3 . 15163 1 260 . 1 1 28 28 ASN CA C 13 53.425 0.1 . 1 . . . . 28 N CA . 15163 1 261 . 1 1 28 28 ASN CB C 13 38.448 0.1 . 1 . . . . 28 N CB . 15163 1 262 . 1 1 28 28 ASN N N 15 113.206 0.1 . 1 . . . . 28 N N . 15163 1 263 . 1 1 29 29 PRO HA H 1 4.604 0.01 . 1 . . . . 29 P HA . 15163 1 264 . 1 1 29 29 PRO HB2 H 1 1.941 0.01 . 1 . . . . 29 P HB# . 15163 1 265 . 1 1 29 29 PRO HB3 H 1 1.941 0.01 . 1 . . . . 29 P HB# . 15163 1 266 . 1 1 29 29 PRO HG2 H 1 1.574 0.01 . 1 . . . . 29 P HG# . 15163 1 267 . 1 1 29 29 PRO HG3 H 1 1.574 0.01 . 1 . . . . 29 P HG# . 15163 1 268 . 1 1 29 29 PRO CA C 13 63.563 0.1 . 1 . . . . 29 P CA . 15163 1 269 . 1 1 29 29 PRO CB C 13 34.084 0.1 . 1 . . . . 29 P CB . 15163 1 270 . 1 1 29 29 PRO CG C 13 23.557 0.1 . 1 . . . . 29 P CG . 15163 1 271 . 1 1 29 29 PRO CD C 13 50.353 0.1 . 1 . . . . 29 P CD . 15163 1 272 . 1 1 30 30 VAL H H 1 9.373 0.01 . 1 . . . . 30 V HN . 15163 1 273 . 1 1 30 30 VAL HA H 1 3.82 0.01 . 1 . . . . 30 V HA . 15163 1 274 . 1 1 30 30 VAL HB H 1 1.774 0.01 . 1 . . . . 30 V HB . 15163 1 275 . 1 1 30 30 VAL HG11 H 1 1.1 0.01 . 1 . . . . 30 V HG1# . 15163 1 276 . 1 1 30 30 VAL HG12 H 1 1.1 0.01 . 1 . . . . 30 V HG1# . 15163 1 277 . 1 1 30 30 VAL HG13 H 1 1.1 0.01 . 1 . . . . 30 V HG1# . 15163 1 278 . 1 1 30 30 VAL HG21 H 1 0.643 0.01 . 1 . . . . 30 V HG2# . 15163 1 279 . 1 1 30 30 VAL HG22 H 1 0.643 0.01 . 1 . . . . 30 V HG2# . 15163 1 280 . 1 1 30 30 VAL HG23 H 1 0.643 0.01 . 1 . . . . 30 V HG2# . 15163 1 281 . 1 1 30 30 VAL CA C 13 62.813 0.1 . 1 . . . . 30 V CA . 15163 1 282 . 1 1 30 30 VAL CB C 13 31.688 0.1 . 1 . . . . 30 V CB . 15163 1 283 . 1 1 30 30 VAL CG1 C 13 23.129 0.1 . 1 . . . . 30 V CG . 15163 1 284 . 1 1 30 30 VAL CG2 C 13 23.129 0.1 . 1 . . . . 30 V CG . 15163 1 285 . 1 1 30 30 VAL N N 15 119.333 0.1 . 1 . . . . 30 V N . 15163 1 286 . 1 1 31 31 PHE H H 1 8.701 0.01 . 1 . . . . 31 F HN . 15163 1 287 . 1 1 31 31 PHE HA H 1 5.382 0.01 . 1 . . . . 31 F HA . 15163 1 288 . 1 1 31 31 PHE HB2 H 1 2.643 0.01 . 1 . . . . 31 F HB2 . 15163 1 289 . 1 1 31 31 PHE HB3 H 1 2.804 0.01 . 1 . . . . 31 F HB3 . 15163 1 290 . 1 1 31 31 PHE HD1 H 1 7.023 0.01 . 1 . . . . 31 F HD# . 15163 1 291 . 1 1 31 31 PHE HD2 H 1 7.023 0.01 . 1 . . . . 31 F HD# . 15163 1 292 . 1 1 31 31 PHE HE1 H 1 7.183 0.01 . 1 . . . . 31 F HE# . 15163 1 293 . 1 1 31 31 PHE HE2 H 1 7.183 0.01 . 1 . . . . 31 F HE# . 15163 1 294 . 1 1 31 31 PHE CA C 13 55.37 0.1 . 1 . . . . 31 F CA . 15163 1 295 . 1 1 31 31 PHE CB C 13 43.3 0.1 . 1 . . . . 31 F CB . 15163 1 296 . 1 1 31 31 PHE N N 15 123.478 0.1 . 1 . . . . 31 F N . 15163 1 297 . 1 1 32 32 VAL H H 1 9.157 0.01 . 1 . . . . 32 V HN . 15163 1 298 . 1 1 32 32 VAL HA H 1 3.92 0.01 . 1 . . . . 32 V HA . 15163 1 299 . 1 1 32 32 VAL HB H 1 2.23 0.01 . 1 . . . . 32 V HB . 15163 1 300 . 1 1 32 32 VAL HG11 H 1 0.631 0.01 . 1 . . . . 32 V HG1 . 15163 1 301 . 1 1 32 32 VAL HG12 H 1 0.631 0.01 . 1 . . . . 32 V HG1 . 15163 1 302 . 1 1 32 32 VAL HG13 H 1 0.631 0.01 . 1 . . . . 32 V HG1 . 15163 1 303 . 1 1 32 32 VAL HG21 H 1 0.631 0.01 . 1 . . . . 32 V HG2 . 15163 1 304 . 1 1 32 32 VAL HG22 H 1 0.631 0.01 . 1 . . . . 32 V HG2 . 15163 1 305 . 1 1 32 32 VAL HG23 H 1 0.631 0.01 . 1 . . . . 32 V HG2 . 15163 1 306 . 1 1 32 32 VAL CA C 13 62.904 0.1 . 1 . . . . 32 V CA . 15163 1 307 . 1 1 32 32 VAL CB C 13 31.047 0.1 . 1 . . . . 32 V CB . 15163 1 308 . 1 1 32 32 VAL CG1 C 13 21.119 0.1 . 1 . . . . 32 V CG . 15163 1 309 . 1 1 32 32 VAL CG2 C 13 21.119 0.1 . 1 . . . . 32 V CG . 15163 1 310 . 1 1 32 32 VAL N N 15 119.678 0.1 . 1 . . . . 32 V N . 15163 1 311 . 1 1 33 33 GLN H H 1 8.93 0.01 . 1 . . . . 33 Q HN . 15163 1 312 . 1 1 33 33 GLN HA H 1 4.174 0.01 . 1 . . . . 33 Q HA . 15163 1 313 . 1 1 33 33 GLN HB2 H 1 1.802 0.01 . 1 . . . . 33 Q HB2 . 15163 1 314 . 1 1 33 33 GLN HB3 H 1 1.499 0.01 . 1 . . . . 33 Q HB3 . 15163 1 315 . 1 1 33 33 GLN HG2 H 1 2.227 0.01 . 1 . . . . 33 Q HG1 . 15163 1 316 . 1 1 33 33 GLN HG3 H 1 2.146 0.01 . 1 . . . . 33 Q HG2 . 15163 1 317 . 1 1 33 33 GLN CA C 13 57.36 0.1 . 1 . . . . 33 Q CA . 15163 1 318 . 1 1 33 33 GLN CB C 13 30.602 0.1 . 1 . . . . 33 Q CB . 15163 1 319 . 1 1 33 33 GLN CG C 13 33.805 0.1 . 1 . . . . 33 Q CG . 15163 1 320 . 1 1 33 33 GLN N N 15 132.942 0.1 . 1 . . . . 33 Q N . 15163 1 321 . 1 1 34 34 SER H H 1 7.714 0.01 . 1 . . . . 34 S HN . 15163 1 322 . 1 1 34 34 SER HA H 1 4.541 0.01 . 1 . . . . 34 S HA . 15163 1 323 . 1 1 34 34 SER HB2 H 1 3.638 0.01 . 1 . . . . 34 S HB# . 15163 1 324 . 1 1 34 34 SER HB3 H 1 3.638 0.01 . 1 . . . . 34 S HB# . 15163 1 325 . 1 1 34 34 SER CA C 13 57.424 0.1 . 1 . . . . 34 S CA . 15163 1 326 . 1 1 34 34 SER CB C 13 64.436 0.1 . 1 . . . . 34 S CB . 15163 1 327 . 1 1 34 34 SER N N 15 108.794 0.1 . 1 . . . . 34 S N . 15163 1 328 . 1 1 35 35 VAL H H 1 7.987 0.01 . 1 . . . . 35 V HN . 15163 1 329 . 1 1 35 35 VAL HA H 1 4.362 0.01 . 1 . . . . 35 V HA . 15163 1 330 . 1 1 35 35 VAL HB H 1 1.805 0.01 . 1 . . . . 35 V HB . 15163 1 331 . 1 1 35 35 VAL HG11 H 1 0.601 0.01 . 1 . . . . 35 V HG1# . 15163 1 332 . 1 1 35 35 VAL HG12 H 1 0.601 0.01 . 1 . . . . 35 V HG1# . 15163 1 333 . 1 1 35 35 VAL HG13 H 1 0.601 0.01 . 1 . . . . 35 V HG1# . 15163 1 334 . 1 1 35 35 VAL HG21 H 1 0.671 0.01 . 1 . . . . 35 V HG2# . 15163 1 335 . 1 1 35 35 VAL HG22 H 1 0.671 0.01 . 1 . . . . 35 V HG2# . 15163 1 336 . 1 1 35 35 VAL HG23 H 1 0.671 0.01 . 1 . . . . 35 V HG2# . 15163 1 337 . 1 1 35 35 VAL CA C 13 60.383 0.1 . 1 . . . . 35 V CA . 15163 1 338 . 1 1 35 35 VAL CB C 13 34.401 0.1 . 1 . . . . 35 V CB . 15163 1 339 . 1 1 35 35 VAL CG1 C 13 20.669 0.1 . 1 . . . . 35 V CG1 . 15163 1 340 . 1 1 35 35 VAL CG2 C 13 22.241 0.1 . 1 . . . . 35 V CG2 . 15163 1 341 . 1 1 35 35 VAL N N 15 117.781 0.1 . 1 . . . . 35 V N . 15163 1 342 . 1 1 36 36 LYS H H 1 7.626 0.01 . 1 . . . . 36 K HN . 15163 1 343 . 1 1 36 36 LYS HA H 1 4.008 0.01 . 1 . . . . 36 K HA . 15163 1 344 . 1 1 36 36 LYS HB2 H 1 1.534 0.01 . 1 . . . . 36 K HB2 . 15163 1 345 . 1 1 36 36 LYS HB3 H 1 1.616 0.01 . 1 . . . . 36 K HB3 . 15163 1 346 . 1 1 36 36 LYS HG2 H 1 1.32 0.01 . 1 . . . . 36 K HG . 15163 1 347 . 1 1 36 36 LYS HG3 H 1 1.32 0.01 . 1 . . . . 36 K HG . 15163 1 348 . 1 1 36 36 LYS HD2 H 1 1.549 0.01 . 1 . . . . 36 K HD# . 15163 1 349 . 1 1 36 36 LYS HD3 H 1 1.549 0.01 . 1 . . . . 36 K HD# . 15163 1 350 . 1 1 36 36 LYS HE2 H 1 2.841 0.01 . 1 . . . . 36 K HE# . 15163 1 351 . 1 1 36 36 LYS HE3 H 1 2.841 0.01 . 1 . . . . 36 K HE# . 15163 1 352 . 1 1 36 36 LYS CA C 13 56.294 0.1 . 1 . . . . 36 K CA . 15163 1 353 . 1 1 36 36 LYS CB C 13 32.925 0.1 . 1 . . . . 36 K CB . 15163 1 354 . 1 1 36 36 LYS CG C 13 24.305 0.1 . 1 . . . . 36 K CG . 15163 1 355 . 1 1 36 36 LYS CD C 13 28.653 0.1 . 1 . . . . 36 K CD . 15163 1 356 . 1 1 36 36 LYS CE C 13 42.049 0.1 . 1 . . . . 36 K CE . 15163 1 357 . 1 1 36 36 LYS N N 15 125.805 0.1 . 1 . . . . 36 K N . 15163 1 358 . 1 1 37 37 GLU H H 1 9.254 0.01 . 1 . . . . 37 E HN . 15163 1 359 . 1 1 37 37 GLU HA H 1 3.953 0.01 . 1 . . . . 37 E HA . 15163 1 360 . 1 1 37 37 GLU HB2 H 1 1.853 0.01 . 1 . . . . 37 E HB2 . 15163 1 361 . 1 1 37 37 GLU HB3 H 1 1.911 0.01 . 1 . . . . 37 E HB3 . 15163 1 362 . 1 1 37 37 GLU HG2 H 1 2.204 0.01 . 1 . . . . 37 E HG# . 15163 1 363 . 1 1 37 37 GLU HG3 H 1 2.204 0.01 . 1 . . . . 37 E HG# . 15163 1 364 . 1 1 37 37 GLU CA C 13 58.752 0.1 . 1 . . . . 37 E CA . 15163 1 365 . 1 1 37 37 GLU CB C 13 29.079 0.1 . 1 . . . . 37 E CB . 15163 1 366 . 1 1 37 37 GLU CG C 13 35.523 0.1 . 1 . . . . 37 E CG . 15163 1 367 . 1 1 37 37 GLU N N 15 129.001 0.1 . 1 . . . . 37 E N . 15163 1 368 . 1 1 38 38 ASP H H 1 8.644 0.01 . 1 . . . . 38 D HN . 15163 1 369 . 1 1 38 38 ASP HA H 1 4.402 0.01 . 1 . . . . 38 D HA . 15163 1 370 . 1 1 38 38 ASP HB2 H 1 2.815 0.01 . 1 . . . . 38 D HB2 . 15163 1 371 . 1 1 38 38 ASP HB3 H 1 2.648 0.01 . 1 . . . . 38 D HB3 . 15163 1 372 . 1 1 38 38 ASP CA C 13 55.162 0.1 . 1 . . . . 38 D CA . 15163 1 373 . 1 1 38 38 ASP CB C 13 40.168 0.1 . 1 . . . . 38 D CB . 15163 1 374 . 1 1 38 38 ASP N N 15 121.922 0.1 . 1 . . . . 38 D N . 15163 1 375 . 1 1 39 39 GLY H H 1 7.559 0.01 . 1 . . . . 39 G HN . 15163 1 376 . 1 1 39 39 GLY HA2 H 1 3.857 0.01 . 1 . . . . 39 G HA2 . 15163 1 377 . 1 1 39 39 GLY HA3 H 1 4.332 0.01 . 1 . . . . 39 G HA3 . 15163 1 378 . 1 1 39 39 GLY CA C 13 44.881 0.1 . 1 . . . . 39 G CA . 15163 1 379 . 1 1 39 39 GLY N N 15 105.167 0.1 . 1 . . . . 39 G N . 15163 1 380 . 1 1 40 40 ALA H H 1 8.755 0.01 . 1 . . . . 40 A HN . 15163 1 381 . 1 1 40 40 ALA HA H 1 3.826 0.01 . 1 . . . . 40 A HA . 15163 1 382 . 1 1 40 40 ALA HB1 H 1 1.412 0.01 . 1 . . . . 40 A HB# . 15163 1 383 . 1 1 40 40 ALA HB2 H 1 1.412 0.01 . 1 . . . . 40 A HB# . 15163 1 384 . 1 1 40 40 ALA HB3 H 1 1.412 0.01 . 1 . . . . 40 A HB# . 15163 1 385 . 1 1 40 40 ALA CA C 13 55.754 0.1 . 1 . . . . 40 A CA . 15163 1 386 . 1 1 40 40 ALA CB C 13 18.91 0.1 . 1 . . . . 40 A CB . 15163 1 387 . 1 1 40 40 ALA N N 15 120.701 0.1 . 1 . . . . 40 A N . 15163 1 388 . 1 1 41 41 ALA H H 1 8.266 0.01 . 1 . . . . 41 A HN . 15163 1 389 . 1 1 41 41 ALA HA H 1 3.884 0.01 . 1 . . . . 41 A HA . 15163 1 390 . 1 1 41 41 ALA HB1 H 1 1.262 0.01 . 1 . . . . 41 A HB# . 15163 1 391 . 1 1 41 41 ALA HB2 H 1 1.262 0.01 . 1 . . . . 41 A HB# . 15163 1 392 . 1 1 41 41 ALA HB3 H 1 1.262 0.01 . 1 . . . . 41 A HB# . 15163 1 393 . 1 1 41 41 ALA CA C 13 55.347 0.1 . 1 . . . . 41 A CA . 15163 1 394 . 1 1 41 41 ALA CB C 13 18.73 0.1 . 1 . . . . 41 A CB . 15163 1 395 . 1 1 41 41 ALA N N 15 121.532 0.1 . 1 . . . . 41 A N . 15163 1 396 . 1 1 42 42 MET H H 1 9.302 0.01 . 1 . . . . 42 M HN . 15163 1 397 . 1 1 42 42 MET HA H 1 3.994 0.01 . 1 . . . . 42 M HA . 15163 1 398 . 1 1 42 42 MET HB2 H 1 2.591 0.01 . 1 . . . . 42 M HB# . 15163 1 399 . 1 1 42 42 MET HB3 H 1 2.591 0.01 . 1 . . . . 42 M HB# . 15163 1 400 . 1 1 42 42 MET HG2 H 1 2.625 0.01 . 1 . . . . 42 M HG# . 15163 1 401 . 1 1 42 42 MET HG3 H 1 2.625 0.01 . 1 . . . . 42 M HG# . 15163 1 402 . 1 1 42 42 MET CA C 13 59.085 0.1 . 1 . . . . 42 M CA . 15163 1 403 . 1 1 42 42 MET CB C 13 31.705 0.1 . 1 . . . . 42 M CB . 15163 1 404 . 1 1 42 42 MET CG C 13 35.271 0.1 . 1 . . . . 42 M CG . 15163 1 405 . 1 1 42 42 MET N N 15 121.567 0.1 . 1 . . . . 42 M N . 15163 1 406 . 1 1 43 43 ARG H H 1 8.22 0.01 . 1 . . . . 43 R HN . 15163 1 407 . 1 1 43 43 ARG HA H 1 3.931 0.01 . 1 . . . . 43 R HA . 15163 1 408 . 1 1 43 43 ARG HB2 H 1 1.804 0.01 . 1 . . . . 43 R HB# . 15163 1 409 . 1 1 43 43 ARG HB3 H 1 1.804 0.01 . 1 . . . . 43 R HB# . 15163 1 410 . 1 1 43 43 ARG HG2 H 1 1.775 0.01 . 1 . . . . 43 R HG . 15163 1 411 . 1 1 43 43 ARG HG3 H 1 1.775 0.01 . 1 . . . . 43 R HG . 15163 1 412 . 1 1 43 43 ARG HD2 H 1 2.997 0.01 . 1 . . . . 43 R HD2 . 15163 1 413 . 1 1 43 43 ARG HD3 H 1 3.184 0.01 . 1 . . . . 43 R HD3 . 15163 1 414 . 1 1 43 43 ARG CA C 13 59.531 0.1 . 1 . . . . 43 R CA . 15163 1 415 . 1 1 43 43 ARG CB C 13 30.314 0.1 . 1 . . . . 43 R CB . 15163 1 416 . 1 1 43 43 ARG CG C 13 28.961 0.1 . 1 . . . . 43 R CG . 15163 1 417 . 1 1 43 43 ARG CD C 13 43.532 0.1 . 1 . . . . 43 R CD . 15163 1 418 . 1 1 43 43 ARG N N 15 119.675 0.1 . 1 . . . . 43 R N . 15163 1 419 . 1 1 44 44 ALA H H 1 7.782 0.01 . 1 . . . . 44 A HN . 15163 1 420 . 1 1 44 44 ALA HA H 1 4.302 0.01 . 1 . . . . 44 A HA . 15163 1 421 . 1 1 44 44 ALA HB1 H 1 1.463 0.01 . 1 . . . . 44 A HB# . 15163 1 422 . 1 1 44 44 ALA HB2 H 1 1.463 0.01 . 1 . . . . 44 A HB# . 15163 1 423 . 1 1 44 44 ALA HB3 H 1 1.463 0.01 . 1 . . . . 44 A HB# . 15163 1 424 . 1 1 44 44 ALA CA C 13 52.751 0.1 . 1 . . . . 44 A CA . 15163 1 425 . 1 1 44 44 ALA CB C 13 20.885 0.1 . 1 . . . . 44 A CB . 15163 1 426 . 1 1 44 44 ALA N N 15 118.897 0.1 . 1 . . . . 44 A N . 15163 1 427 . 1 1 45 45 GLY H H 1 7.656 0.01 . 1 . . . . 45 G HN . 15163 1 428 . 1 1 45 45 GLY HA2 H 1 3.691 0.01 . 1 . . . . 45 G HA2 . 15163 1 429 . 1 1 45 45 GLY HA3 H 1 4.303 0.01 . 1 . . . . 45 G HA3 . 15163 1 430 . 1 1 45 45 GLY CA C 13 45.222 0.1 . 1 . . . . 45 G CA . 15163 1 431 . 1 1 45 45 GLY N N 15 103.25 0.1 . 1 . . . . 45 G N . 15163 1 432 . 1 1 46 46 VAL H H 1 7.94 0.01 . 1 . . . . 46 V HN . 15163 1 433 . 1 1 46 46 VAL HA H 1 3.453 0.01 . 1 . . . . 46 V HA . 15163 1 434 . 1 1 46 46 VAL HB H 1 1.509 0.01 . 1 . . . . 46 V HB . 15163 1 435 . 1 1 46 46 VAL HG11 H 1 0.815 0.01 . 1 . . . . 46 V HG1 . 15163 1 436 . 1 1 46 46 VAL HG12 H 1 0.815 0.01 . 1 . . . . 46 V HG1 . 15163 1 437 . 1 1 46 46 VAL HG13 H 1 0.815 0.01 . 1 . . . . 46 V HG1 . 15163 1 438 . 1 1 46 46 VAL HG21 H 1 0.815 0.01 . 1 . . . . 46 V HG2 . 15163 1 439 . 1 1 46 46 VAL HG22 H 1 0.815 0.01 . 1 . . . . 46 V HG2 . 15163 1 440 . 1 1 46 46 VAL HG23 H 1 0.815 0.01 . 1 . . . . 46 V HG2 . 15163 1 441 . 1 1 46 46 VAL CA C 13 64.171 0.1 . 1 . . . . 46 V CA . 15163 1 442 . 1 1 46 46 VAL CB C 13 31.244 0.1 . 1 . . . . 46 V CB . 15163 1 443 . 1 1 46 46 VAL CG1 C 13 23.464 0.1 . 1 . . . . 46 V CG . 15163 1 444 . 1 1 46 46 VAL CG2 C 13 23.464 0.1 . 1 . . . . 46 V CG . 15163 1 445 . 1 1 46 46 VAL N N 15 122.703 0.1 . 1 . . . . 46 V N . 15163 1 446 . 1 1 47 47 GLN H H 1 8.777 0.01 . 1 . . . . 47 Q HN . 15163 1 447 . 1 1 47 47 GLN HA H 1 4.564 0.01 . 1 . . . . 47 Q HA . 15163 1 448 . 1 1 47 47 GLN HB2 H 1 1.897 0.01 . 1 . . . . 47 Q HB# . 15163 1 449 . 1 1 47 47 GLN HB3 H 1 1.897 0.01 . 1 . . . . 47 Q HB# . 15163 1 450 . 1 1 47 47 GLN HG2 H 1 2.195 0.01 . 1 . . . . 47 Q HG# . 15163 1 451 . 1 1 47 47 GLN HG3 H 1 2.195 0.01 . 1 . . . . 47 Q HG# . 15163 1 452 . 1 1 47 47 GLN CA C 13 53.691 0.1 . 1 . . . . 47 Q CA . 15163 1 453 . 1 1 47 47 GLN CB C 13 31.745 0.1 . 1 . . . . 47 Q CB . 15163 1 454 . 1 1 47 47 GLN CG C 13 33.747 0.1 . 1 . . . . 47 Q CG . 15163 1 455 . 1 1 47 47 GLN N N 15 125.857 0.1 . 1 . . . . 47 Q N . 15163 1 456 . 1 1 48 48 THR H H 1 8.539 0.01 . 1 . . . . 48 T HN . 15163 1 457 . 1 1 48 48 THR HA H 1 3.895 0.01 . 1 . . . . 48 T HA . 15163 1 458 . 1 1 48 48 THR HB H 1 3.339 0.01 . 1 . . . . 48 T HB . 15163 1 459 . 1 1 48 48 THR HG21 H 1 1.122 0.01 . 1 . . . . 48 T HG2# . 15163 1 460 . 1 1 48 48 THR HG22 H 1 1.122 0.01 . 1 . . . . 48 T HG2# . 15163 1 461 . 1 1 48 48 THR HG23 H 1 1.122 0.01 . 1 . . . . 48 T HG2# . 15163 1 462 . 1 1 48 48 THR CA C 13 65.632 0.1 . 1 . . . . 48 T CA . 15163 1 463 . 1 1 48 48 THR CB C 13 68.295 0.1 . 1 . . . . 48 T CB . 15163 1 464 . 1 1 48 48 THR CG2 C 13 22.361 0.1 . 1 . . . . 48 T CG2 . 15163 1 465 . 1 1 48 48 THR N N 15 118.119 0.1 . 1 . . . . 48 T N . 15163 1 466 . 1 1 49 49 GLY H H 1 9.181 0.01 . 1 . . . . 49 G HN . 15163 1 467 . 1 1 49 49 GLY HA2 H 1 3.59 0.01 . 1 . . . . 49 G HA# . 15163 1 468 . 1 1 49 49 GLY HA3 H 1 3.59 0.01 . 1 . . . . 49 G HA# . 15163 1 469 . 1 1 49 49 GLY CA C 13 44.978 0.1 . 1 . . . . 49 G CA . 15163 1 470 . 1 1 49 49 GLY N N 15 116.34 0.1 . 1 . . . . 49 G N . 15163 1 471 . 1 1 50 50 ASP H H 1 7.939 0.01 . 1 . . . . 50 D HN . 15163 1 472 . 1 1 50 50 ASP HA H 1 4.608 0.01 . 1 . . . . 50 D HA . 15163 1 473 . 1 1 50 50 ASP HB2 H 1 2.519 0.01 . 1 . . . . 50 D HB2 . 15163 1 474 . 1 1 50 50 ASP HB3 H 1 2.075 0.01 . 1 . . . . 50 D HB3 . 15163 1 475 . 1 1 50 50 ASP CA C 13 55.914 0.1 . 1 . . . . 50 D CA . 15163 1 476 . 1 1 50 50 ASP CB C 13 40.926 0.1 . 1 . . . . 50 D CB . 15163 1 477 . 1 1 50 50 ASP N N 15 122.332 0.1 . 1 . . . . 50 D N . 15163 1 478 . 1 1 51 51 ARG H H 1 8.964 0.01 . 1 . . . . 51 R HN . 15163 1 479 . 1 1 51 51 ARG HA H 1 4.525 0.01 . 1 . . . . 51 R HA . 15163 1 480 . 1 1 51 51 ARG HB2 H 1 1.552 0.01 . 1 . . . . 51 R HB# . 15163 1 481 . 1 1 51 51 ARG HB3 H 1 1.552 0.01 . 1 . . . . 51 R HB# . 15163 1 482 . 1 1 51 51 ARG HG2 H 1 1.438 0.01 . 1 . . . . 51 R HG# . 15163 1 483 . 1 1 51 51 ARG HG3 H 1 1.438 0.01 . 1 . . . . 51 R HG# . 15163 1 484 . 1 1 51 51 ARG HD2 H 1 2.946 0.01 . 1 . . . . 51 R HD2 . 15163 1 485 . 1 1 51 51 ARG HD3 H 1 3.111 0.01 . 1 . . . . 51 R HD3 . 15163 1 486 . 1 1 51 51 ARG CA C 13 54.745 0.1 . 1 . . . . 51 R CA . 15163 1 487 . 1 1 51 51 ARG CB C 13 32.172 0.1 . 1 . . . . 51 R CB . 15163 1 488 . 1 1 51 51 ARG CD C 13 43.669 0.1 . 1 . . . . 51 R CD . 15163 1 489 . 1 1 51 51 ARG N N 15 120.884 0.1 . 1 . . . . 51 R N . 15163 1 490 . 1 1 52 52 ILE H H 1 8.674 0.01 . 1 . . . . 52 I HN . 15163 1 491 . 1 1 52 52 ILE HA H 1 3.723 0.01 . 1 . . . . 52 I HA . 15163 1 492 . 1 1 52 52 ILE HB H 1 1.537 0.01 . 1 . . . . 52 I HB . 15163 1 493 . 1 1 52 52 ILE HG12 H 1 1.329 0.01 . 1 . . . . 52 I HG12 . 15163 1 494 . 1 1 52 52 ILE HG13 H 1 1.828 0.01 . 1 . . . . 52 I HG13 . 15163 1 495 . 1 1 52 52 ILE HG21 H 1 0.387 0.01 . 1 . . . . 52 I HG2# . 15163 1 496 . 1 1 52 52 ILE HG22 H 1 0.387 0.01 . 1 . . . . 52 I HG2# . 15163 1 497 . 1 1 52 52 ILE HG23 H 1 0.387 0.01 . 1 . . . . 52 I HG2# . 15163 1 498 . 1 1 52 52 ILE HD11 H 1 0.352 0.01 . 1 . . . . 52 I HD1# . 15163 1 499 . 1 1 52 52 ILE HD12 H 1 0.352 0.01 . 1 . . . . 52 I HD1# . 15163 1 500 . 1 1 52 52 ILE HD13 H 1 0.352 0.01 . 1 . . . . 52 I HD1# . 15163 1 501 . 1 1 52 52 ILE CA C 13 62.87 0.1 . 1 . . . . 52 I CA . 15163 1 502 . 1 1 52 52 ILE CB C 13 37 0.1 . 1 . . . . 52 I CB . 15163 1 503 . 1 1 52 52 ILE CG1 C 13 29.142 0.1 . 1 . . . . 52 I CG1 . 15163 1 504 . 1 1 52 52 ILE CG2 C 13 18.625 0.1 . 1 . . . . 52 I CG2 . 15163 1 505 . 1 1 52 52 ILE CD1 C 13 13.443 0.1 . 1 . . . . 52 I CD1 . 15163 1 506 . 1 1 52 52 ILE N N 15 122.435 0.1 . 1 . . . . 52 I N . 15163 1 507 . 1 1 53 53 ILE H H 1 8.88 0.01 . 1 . . . . 53 I HN . 15163 1 508 . 1 1 53 53 ILE HA H 1 4.069 0.01 . 1 . . . . 53 I HA . 15163 1 509 . 1 1 53 53 ILE HB H 1 1.509 0.01 . 1 . . . . 53 I HB . 15163 1 510 . 1 1 53 53 ILE HG12 H 1 1.305 0.01 . 1 . . . . 53 I HG12 . 15163 1 511 . 1 1 53 53 ILE HG13 H 1 1.005 0.01 . 1 . . . . 53 I HG13 . 15163 1 512 . 1 1 53 53 ILE HG21 H 1 0.684 0.01 . 1 . . . . 53 I HG2#c . 15163 1 513 . 1 1 53 53 ILE HG22 H 1 0.684 0.01 . 1 . . . . 53 I HG2#c . 15163 1 514 . 1 1 53 53 ILE HG23 H 1 0.684 0.01 . 1 . . . . 53 I HG2#c . 15163 1 515 . 1 1 53 53 ILE HD11 H 1 0.375 0.01 . 1 . . . . 53 I HD1# . 15163 1 516 . 1 1 53 53 ILE HD12 H 1 0.375 0.01 . 1 . . . . 53 I HD1# . 15163 1 517 . 1 1 53 53 ILE HD13 H 1 0.375 0.01 . 1 . . . . 53 I HD1# . 15163 1 518 . 1 1 53 53 ILE CA C 13 59.805 0.1 . 1 . . . . 53 I CA . 15163 1 519 . 1 1 53 53 ILE CB C 13 37.642 0.1 . 1 . . . . 53 I CB . 15163 1 520 . 1 1 53 53 ILE CG1 C 13 26.901 0.1 . 1 . . . . 53 I CG1 . 15163 1 521 . 1 1 53 53 ILE CG2 C 13 16.942 0.1 . 1 . . . . 53 I CG2 . 15163 1 522 . 1 1 53 53 ILE CD1 C 13 9.573 0.1 . 1 . . . . 53 I CD1 . 15163 1 523 . 1 1 53 53 ILE N N 15 127.232 0.1 . 1 . . . . 53 I N . 15163 1 524 . 1 1 54 54 LYS H H 1 7.72 0.01 . 1 . . . . 54 K HN . 15163 1 525 . 1 1 54 54 LYS HA H 1 5.346 0.01 . 1 . . . . 54 K HA . 15163 1 526 . 1 1 54 54 LYS HB2 H 1 1.218 0.01 . 1 . . . . 54 K HB2 . 15163 1 527 . 1 1 54 54 LYS HB3 H 1 1.536 0.01 . 1 . . . . 54 K HB3 . 15163 1 528 . 1 1 54 54 LYS HG2 H 1 1.07 0.01 . 1 . . . . 54 K HG# . 15163 1 529 . 1 1 54 54 LYS HG3 H 1 1.07 0.01 . 1 . . . . 54 K HG# . 15163 1 530 . 1 1 54 54 LYS HD2 H 1 1.377 0.01 . 1 . . . . 54 K HD# . 15163 1 531 . 1 1 54 54 LYS HD3 H 1 1.377 0.01 . 1 . . . . 54 K HD# . 15163 1 532 . 1 1 54 54 LYS HE2 H 1 2.676 0.01 . 1 . . . . 54 K HE# . 15163 1 533 . 1 1 54 54 LYS HE3 H 1 2.676 0.01 . 1 . . . . 54 K HE# . 15163 1 534 . 1 1 54 54 LYS CA C 13 54.48 0.1 . 1 . . . . 54 K CA . 15163 1 535 . 1 1 54 54 LYS CB C 13 38.048 0.1 . 1 . . . . 54 K CB . 15163 1 536 . 1 1 54 54 LYS CG C 13 25.696 0.1 . 1 . . . . 54 K CG . 15163 1 537 . 1 1 54 54 LYS CD C 13 29.783 0.1 . 1 . . . . 54 K CD . 15163 1 538 . 1 1 54 54 LYS CE C 13 42.168 0.1 . 1 . . . . 54 K CE . 15163 1 539 . 1 1 54 54 LYS N N 15 113.829 0.1 . 1 . . . . 54 K N . 15163 1 540 . 1 1 55 55 VAL H H 1 8.42 0.01 . 1 . . . . 55 V HN . 15163 1 541 . 1 1 55 55 VAL HA H 1 4.153 0.01 . 1 . . . . 55 V HA . 15163 1 542 . 1 1 55 55 VAL HB H 1 1.676 0.01 . 1 . . . . 55 V HB . 15163 1 543 . 1 1 55 55 VAL HG11 H 1 0.506 0.01 . 1 . . . . 55 V HG1# . 15163 1 544 . 1 1 55 55 VAL HG12 H 1 0.506 0.01 . 1 . . . . 55 V HG1# . 15163 1 545 . 1 1 55 55 VAL HG13 H 1 0.506 0.01 . 1 . . . . 55 V HG1# . 15163 1 546 . 1 1 55 55 VAL HG21 H 1 0.59 0.01 . 1 . . . . 55 V HG2# . 15163 1 547 . 1 1 55 55 VAL HG22 H 1 0.59 0.01 . 1 . . . . 55 V HG2# . 15163 1 548 . 1 1 55 55 VAL HG23 H 1 0.59 0.01 . 1 . . . . 55 V HG2# . 15163 1 549 . 1 1 55 55 VAL CA C 13 61.144 0.1 . 1 . . . . 55 V CA . 15163 1 550 . 1 1 55 55 VAL CB C 13 33.403 0.1 . 1 . . . . 55 V CB . 15163 1 551 . 1 1 55 55 VAL CG1 C 13 22.347 0.1 . 1 . . . . 55 V CG . 15163 1 552 . 1 1 55 55 VAL CG2 C 13 22.347 0.1 . 1 . . . . 55 V CG . 15163 1 553 . 1 1 55 55 VAL N N 15 119.222 0.1 . 1 . . . . 55 V N . 15163 1 554 . 1 1 56 56 ASN H H 1 9.808 0.01 . 1 . . . . 56 N HN . 15163 1 555 . 1 1 56 56 ASN HA H 1 4.336 0.01 . 1 . . . . 56 N HA . 15163 1 556 . 1 1 56 56 ASN HB2 H 1 2.909 0.01 . 1 . . . . 56 N HB# . 15163 1 557 . 1 1 56 56 ASN HB3 H 1 2.909 0.01 . 1 . . . . 56 N HB# . 15163 1 558 . 1 1 56 56 ASN CA C 13 54.37 0.1 . 1 . . . . 56 N CA . 15163 1 559 . 1 1 56 56 ASN CB C 13 36.897 0.1 . 1 . . . . 56 N CB . 15163 1 560 . 1 1 56 56 ASN N N 15 125.715 0.1 . 1 . . . . 56 N N . 15163 1 561 . 1 1 57 57 GLY H H 1 8.294 0.01 . 1 . . . . 57 G HN . 15163 1 562 . 1 1 57 57 GLY HA2 H 1 3.403 0.01 . 1 . . . . 57 G HA2 . 15163 1 563 . 1 1 57 57 GLY HA3 H 1 4.195 0.01 . 1 . . . . 57 G HA3 . 15163 1 564 . 1 1 57 57 GLY CA C 13 45.322 0.1 . 1 . . . . 57 G CA . 15163 1 565 . 1 1 57 57 GLY N N 15 102.83 0.1 . 1 . . . . 57 G N . 15163 1 566 . 1 1 58 58 THR H H 1 8.202 0.01 . 1 . . . . 58 T HN . 15163 1 567 . 1 1 58 58 THR HA H 1 4.092 0.01 . 1 . . . . 58 T HA . 15163 1 568 . 1 1 58 58 THR HB H 1 4.086 0.01 . 1 . . . . 58 T HB . 15163 1 569 . 1 1 58 58 THR HG21 H 1 1.035 0.01 . 1 . . . . 58 T HG2# . 15163 1 570 . 1 1 58 58 THR HG22 H 1 1.035 0.01 . 1 . . . . 58 T HG2# . 15163 1 571 . 1 1 58 58 THR HG23 H 1 1.035 0.01 . 1 . . . . 58 T HG2# . 15163 1 572 . 1 1 58 58 THR CA C 13 62.375 0.1 . 1 . . . . 58 T CA . 15163 1 573 . 1 1 58 58 THR CB C 13 69.59 0.1 . 1 . . . . 58 T CB . 15163 1 574 . 1 1 58 58 THR CG2 C 13 21.539 0.1 . 1 . . . . 58 T CG2 . 15163 1 575 . 1 1 58 58 THR N N 15 120.563 0.1 . 1 . . . . 58 T N . 15163 1 576 . 1 1 59 59 LEU H H 1 8.972 0.01 . 1 . . . . 59 L HN . 15163 1 577 . 1 1 59 59 LEU HA H 1 4.334 0.01 . 1 . . . . 59 L HA . 15163 1 578 . 1 1 59 59 LEU HB2 H 1 1.807 0.01 . 1 . . . . 59 L HB2 . 15163 1 579 . 1 1 59 59 LEU HB3 H 1 1.464 0.01 . 1 . . . . 59 L HB3 . 15163 1 580 . 1 1 59 59 LEU HG H 1 1.528 0.01 . 1 . . . . 59 L HG . 15163 1 581 . 1 1 59 59 LEU HD11 H 1 0.937 0.01 . 1 . . . . 59 L HD1# . 15163 1 582 . 1 1 59 59 LEU HD12 H 1 0.937 0.01 . 1 . . . . 59 L HD1# . 15163 1 583 . 1 1 59 59 LEU HD13 H 1 0.937 0.01 . 1 . . . . 59 L HD1# . 15163 1 584 . 1 1 59 59 LEU HD21 H 1 0.861 0.01 . 1 . . . . 59 L HD2# . 15163 1 585 . 1 1 59 59 LEU HD22 H 1 0.861 0.01 . 1 . . . . 59 L HD2# . 15163 1 586 . 1 1 59 59 LEU HD23 H 1 0.861 0.01 . 1 . . . . 59 L HD2# . 15163 1 587 . 1 1 59 59 LEU CA C 13 56.471 0.1 . 1 . . . . 59 L CA . 15163 1 588 . 1 1 59 59 LEU CB C 13 42.635 0.1 . 1 . . . . 59 L CB . 15163 1 589 . 1 1 59 59 LEU CG C 13 27.519 0.1 . 1 . . . . 59 L CG . 15163 1 590 . 1 1 59 59 LEU CD1 C 13 24.227 0.1 . 1 . . . . 59 L CD1 . 15163 1 591 . 1 1 59 59 LEU CD2 C 13 25.348 0.1 . 1 . . . . 59 L CD2 . 15163 1 592 . 1 1 59 59 LEU N N 15 129.999 0.1 . 1 . . . . 59 L N . 15163 1 593 . 1 1 60 60 VAL H H 1 8.503 0.01 . 1 . . . . 60 V HN . 15163 1 594 . 1 1 60 60 VAL HA H 1 5.024 0.01 . 1 . . . . 60 V HA . 15163 1 595 . 1 1 60 60 VAL HB H 1 2.539 0.01 . 1 . . . . 60 V HB . 15163 1 596 . 1 1 60 60 VAL HG11 H 1 0.67 0.01 . 1 . . . . 60 V HG1# . 15163 1 597 . 1 1 60 60 VAL HG12 H 1 0.67 0.01 . 1 . . . . 60 V HG1# . 15163 1 598 . 1 1 60 60 VAL HG13 H 1 0.67 0.01 . 1 . . . . 60 V HG1# . 15163 1 599 . 1 1 60 60 VAL HG21 H 1 0.35 0.01 . 1 . . . . 60 V HG2# . 15163 1 600 . 1 1 60 60 VAL HG22 H 1 0.35 0.01 . 1 . . . . 60 V HG2# . 15163 1 601 . 1 1 60 60 VAL HG23 H 1 0.35 0.01 . 1 . . . . 60 V HG2# . 15163 1 602 . 1 1 60 60 VAL CA C 13 60.261 0.1 . 1 . . . . 60 V CA . 15163 1 603 . 1 1 60 60 VAL CB C 13 31.299 0.1 . 1 . . . . 60 V CB . 15163 1 604 . 1 1 60 60 VAL CG1 C 13 20.377 0.1 . 1 . . . . 60 V CG . 15163 1 605 . 1 1 60 60 VAL CG2 C 13 20.377 0.1 . 1 . . . . 60 V CG . 15163 1 606 . 1 1 60 60 VAL N N 15 117.54 0.1 . 1 . . . . 60 V N . 15163 1 607 . 1 1 61 61 THR H H 1 7.462 0.01 . 1 . . . . 61 T HN . 15163 1 608 . 1 1 61 61 THR HA H 1 3.817 0.01 . 1 . . . . 61 T HA . 15163 1 609 . 1 1 61 61 THR HB H 1 3.826 0.01 . 1 . . . . 61 T HB . 15163 1 610 . 1 1 61 61 THR HG21 H 1 1.231 0.01 . 1 . . . . 61 T HG2# . 15163 1 611 . 1 1 61 61 THR HG22 H 1 1.231 0.01 . 1 . . . . 61 T HG2# . 15163 1 612 . 1 1 61 61 THR HG23 H 1 1.231 0.01 . 1 . . . . 61 T HG2# . 15163 1 613 . 1 1 61 61 THR CA C 13 64.62 0.1 . 1 . . . . 61 T CA . 15163 1 614 . 1 1 61 61 THR CB C 13 67.866 0.1 . 1 . . . . 61 T CB . 15163 1 615 . 1 1 61 61 THR CG2 C 13 25.178 0.1 . 1 . . . . 61 T CG2 . 15163 1 616 . 1 1 61 61 THR N N 15 116.097 0.1 . 1 . . . . 61 T N . 15163 1 617 . 1 1 62 62 HIS H H 1 8.545 0.01 . 1 . . . . 62 H HN . 15163 1 618 . 1 1 62 62 HIS HA H 1 5.166 0.01 . 1 . . . . 62 H HA . 15163 1 619 . 1 1 62 62 HIS HB2 H 1 2.767 0.01 . 1 . . . . 62 H HB2 . 15163 1 620 . 1 1 62 62 HIS HB3 H 1 3.4 0.01 . 1 . . . . 62 H HB3 . 15163 1 621 . 1 1 62 62 HIS CA C 13 53.731 0.1 . 1 . . . . 62 H CA . 15163 1 622 . 1 1 62 62 HIS CB C 13 28.785 0.1 . 1 . . . . 62 H CB . 15163 1 623 . 1 1 62 62 HIS N N 15 115.922 0.1 . 1 . . . . 62 H N . 15163 1 624 . 1 1 63 63 SER H H 1 6.974 0.01 . 1 . . . . 63 S HN . 15163 1 625 . 1 1 63 63 SER HA H 1 4.446 0.01 . 1 . . . . 63 S HA . 15163 1 626 . 1 1 63 63 SER HB2 H 1 3.308 0.01 . 1 . . . . 63 S HB2 . 15163 1 627 . 1 1 63 63 SER HB3 H 1 3.798 0.01 . 1 . . . . 63 S HB3 . 15163 1 628 . 1 1 63 63 SER CA C 13 58.887 0.1 . 1 . . . . 63 S CA . 15163 1 629 . 1 1 63 63 SER CB C 13 64.394 0.1 . 1 . . . . 63 S CB . 15163 1 630 . 1 1 63 63 SER N N 15 117.197 0.1 . 1 . . . . 63 S N . 15163 1 631 . 1 1 64 64 ASN H H 1 8.934 0.01 . 1 . . . . 64 N HN . 15163 1 632 . 1 1 64 64 ASN HA H 1 4.46 0.01 . 1 . . . . 64 N HA . 15163 1 633 . 1 1 64 64 ASN HB2 H 1 2.85 0.01 . 1 . . . . 64 N HB2 . 15163 1 634 . 1 1 64 64 ASN HB3 H 1 2.75 0.01 . 1 . . . . 64 N HB3 . 15163 1 635 . 1 1 64 64 ASN CA C 13 53.219 0.1 . 1 . . . . 64 N CA . 15163 1 636 . 1 1 64 64 ASN CB C 13 39.503 0.1 . 1 . . . . 64 N CB . 15163 1 637 . 1 1 64 64 ASN N N 15 120.986 0.1 . 1 . . . . 64 N N . 15163 1 638 . 1 1 65 65 HIS H H 1 9.714 0.01 . 1 . . . . 65 H HN . 15163 1 639 . 1 1 65 65 HIS HA H 1 3.692 0.01 . 1 . . . . 65 H HA . 15163 1 640 . 1 1 65 65 HIS HB2 H 1 3.116 0.01 . 1 . . . . 65 H HB2 . 15163 1 641 . 1 1 65 65 HIS HB3 H 1 3.032 0.01 . 1 . . . . 65 H HB3 . 15163 1 642 . 1 1 65 65 HIS HD2 H 1 7.529 0.01 . 1 . . . . 65 H HD2 . 15163 1 643 . 1 1 65 65 HIS HE1 H 1 6.509 0.01 . 1 . . . . 65 H HE1 . 15163 1 644 . 1 1 65 65 HIS CA C 13 61.248 0.1 . 1 . . . . 65 H CA . 15163 1 645 . 1 1 65 65 HIS CB C 13 29.453 0.1 . 1 . . . . 65 H CB . 15163 1 646 . 1 1 65 65 HIS N N 15 122.281 0.1 . 1 . . . . 65 H N . 15163 1 647 . 1 1 66 66 LEU H H 1 8.48 0.01 . 1 . . . . 66 L HN . 15163 1 648 . 1 1 66 66 LEU HA H 1 3.883 0.01 . 1 . . . . 66 L HA . 15163 1 649 . 1 1 66 66 LEU HB2 H 1 1.499 0.01 . 1 . . . . 66 L HB2 . 15163 1 650 . 1 1 66 66 LEU HB3 H 1 1.705 0.01 . 1 . . . . 66 L HB3 . 15163 1 651 . 1 1 66 66 LEU HG H 1 1.651 0.01 . 1 . . . . 66 L HG . 15163 1 652 . 1 1 66 66 LEU HD11 H 1 0.89 0.01 . 1 . . . . 66 L HD1 . 15163 1 653 . 1 1 66 66 LEU HD12 H 1 0.89 0.01 . 1 . . . . 66 L HD1 . 15163 1 654 . 1 1 66 66 LEU HD13 H 1 0.89 0.01 . 1 . . . . 66 L HD1 . 15163 1 655 . 1 1 66 66 LEU HD21 H 1 0.89 0.01 . 1 . . . . 66 L HD2 . 15163 1 656 . 1 1 66 66 LEU HD22 H 1 0.89 0.01 . 1 . . . . 66 L HD2 . 15163 1 657 . 1 1 66 66 LEU HD23 H 1 0.89 0.01 . 1 . . . . 66 L HD2 . 15163 1 658 . 1 1 66 66 LEU CA C 13 57.82 0.1 . 1 . . . . 66 L CA . 15163 1 659 . 1 1 66 66 LEU CB C 13 41.576 0.1 . 1 . . . . 66 L CB . 15163 1 660 . 1 1 66 66 LEU CD1 C 13 27.304 0.1 . 1 . . . . 66 L CD1 . 15163 1 661 . 1 1 66 66 LEU CD2 C 13 24.043 0.1 . 1 . . . . 66 L CD2 . 15163 1 662 . 1 1 66 66 LEU N N 15 115.496 0.1 . 1 . . . . 66 L N . 15163 1 663 . 1 1 67 67 GLU H H 1 7.646 0.01 . 1 . . . . 67 E HN . 15163 1 664 . 1 1 67 67 GLU HA H 1 3.923 0.01 . 1 . . . . 67 E HA . 15163 1 665 . 1 1 67 67 GLU HB2 H 1 1.966 0.01 . 1 . . . . 67 E HB2 . 15163 1 666 . 1 1 67 67 GLU HB3 H 1 2.144 0.01 . 1 . . . . 67 E HB3 . 15163 1 667 . 1 1 67 67 GLU HG2 H 1 2.253 0.01 . 1 . . . . 67 E HG# . 15163 1 668 . 1 1 67 67 GLU HG3 H 1 2.253 0.01 . 1 . . . . 67 E HG# . 15163 1 669 . 1 1 67 67 GLU CA C 13 58.659 0.1 . 1 . . . . 67 E CA . 15163 1 670 . 1 1 67 67 GLU CB C 13 29.335 0.1 . 1 . . . . 67 E CB . 15163 1 671 . 1 1 67 67 GLU CG C 13 36.018 0.1 . 1 . . . . 67 E CG . 15163 1 672 . 1 1 67 67 GLU N N 15 119.207 0.1 . 1 . . . . 67 E N . 15163 1 673 . 1 1 68 68 VAL H H 1 7.627 0.01 . 1 . . . . 68 V HN . 15163 1 674 . 1 1 68 68 VAL HA H 1 3.268 0.01 . 1 . . . . 68 V HA . 15163 1 675 . 1 1 68 68 VAL HB H 1 1.959 0.01 . 1 . . . . 68 V HB . 15163 1 676 . 1 1 68 68 VAL HG11 H 1 0.834 0.01 . 1 . . . . 68 V HG1# . 15163 1 677 . 1 1 68 68 VAL HG12 H 1 0.834 0.01 . 1 . . . . 68 V HG1# . 15163 1 678 . 1 1 68 68 VAL HG13 H 1 0.834 0.01 . 1 . . . . 68 V HG1# . 15163 1 679 . 1 1 68 68 VAL HG21 H 1 0.604 0.01 . 1 . . . . 68 V HG2# . 15163 1 680 . 1 1 68 68 VAL HG22 H 1 0.604 0.01 . 1 . . . . 68 V HG2# . 15163 1 681 . 1 1 68 68 VAL HG23 H 1 0.604 0.01 . 1 . . . . 68 V HG2# . 15163 1 682 . 1 1 68 68 VAL CA C 13 67.616 0.1 . 1 . . . . 68 V CA . 15163 1 683 . 1 1 68 68 VAL CB C 13 30.875 0.1 . 1 . . . . 68 V CB . 15163 1 684 . 1 1 68 68 VAL CG1 C 13 23.939 0.1 . 1 . . . . 68 V CG1 . 15163 1 685 . 1 1 68 68 VAL N N 15 119.661 0.1 . 1 . . . . 68 V N . 15163 1 686 . 1 1 69 69 VAL H H 1 7.976 0.01 . 1 . . . . 69 V HN . 15163 1 687 . 1 1 69 69 VAL HA H 1 3.067 0.01 . 1 . . . . 69 V HA . 15163 1 688 . 1 1 69 69 VAL HB H 1 1.982 0.01 . 1 . . . . 69 V HB . 15163 1 689 . 1 1 69 69 VAL HG11 H 1 0.805 0.01 . 1 . . . . 69 V HG1# . 15163 1 690 . 1 1 69 69 VAL HG12 H 1 0.805 0.01 . 1 . . . . 69 V HG1# . 15163 1 691 . 1 1 69 69 VAL HG13 H 1 0.805 0.01 . 1 . . . . 69 V HG1# . 15163 1 692 . 1 1 69 69 VAL HG21 H 1 0.58 0.01 . 1 . . . . 69 V HG2# . 15163 1 693 . 1 1 69 69 VAL HG22 H 1 0.58 0.01 . 1 . . . . 69 V HG2# . 15163 1 694 . 1 1 69 69 VAL HG23 H 1 0.58 0.01 . 1 . . . . 69 V HG2# . 15163 1 695 . 1 1 69 69 VAL CA C 13 67.559 0.1 . 1 . . . . 69 V CA . 15163 1 696 . 1 1 69 69 VAL CB C 13 31.67 0.1 . 1 . . . . 69 V CB . 15163 1 697 . 1 1 69 69 VAL CG1 C 13 22.545 0.1 . 1 . . . . 69 V CG . 15163 1 698 . 1 1 69 69 VAL CG2 C 13 22.545 0.1 . 1 . . . . 69 V CG . 15163 1 699 . 1 1 69 69 VAL N N 15 119.088 0.1 . 1 . . . . 69 V N . 15163 1 700 . 1 1 70 70 LYS H H 1 7.878 0.01 . 1 . . . . 70 K HN . 15163 1 701 . 1 1 70 70 LYS HA H 1 3.701 0.01 . 1 . . . . 70 K HA . 15163 1 702 . 1 1 70 70 LYS HB2 H 1 1.777 0.01 . 1 . . . . 70 K HB# . 15163 1 703 . 1 1 70 70 LYS HB3 H 1 1.777 0.01 . 1 . . . . 70 K HB# . 15163 1 704 . 1 1 70 70 LYS HG2 H 1 1.22 0.01 . 1 . . . . 70 K HG2 . 15163 1 705 . 1 1 70 70 LYS HG3 H 1 1.476 0.01 . 1 . . . . 70 K HG3 . 15163 1 706 . 1 1 70 70 LYS HD2 H 1 1.543 0.01 . 1 . . . . 70 K HD# . 15163 1 707 . 1 1 70 70 LYS HD3 H 1 1.543 0.01 . 1 . . . . 70 K HD# . 15163 1 708 . 1 1 70 70 LYS HE2 H 1 2.801 0.01 . 1 . . . . 70 K HE# . 15163 1 709 . 1 1 70 70 LYS HE3 H 1 2.801 0.01 . 1 . . . . 70 K HE# . 15163 1 710 . 1 1 70 70 LYS CA C 13 59.829 0.1 . 1 . . . . 70 K CA . 15163 1 711 . 1 1 70 70 LYS CB C 13 32.398 0.1 . 1 . . . . 70 K CB . 15163 1 712 . 1 1 70 70 LYS CG C 13 25.19 0.1 . 1 . . . . 70 K CG . 15163 1 713 . 1 1 70 70 LYS CD C 13 29.51 0.1 . 1 . . . . 70 K CD . 15163 1 714 . 1 1 70 70 LYS CE C 13 42 0.1 . 1 . . . . 70 K CE . 15163 1 715 . 1 1 70 70 LYS N N 15 117.924 0.1 . 1 . . . . 70 K N . 15163 1 716 . 1 1 71 71 LEU H H 1 7.744 0.01 . 1 . . . . 71 L HN . 15163 1 717 . 1 1 71 71 LEU HA H 1 3.901 0.01 . 1 . . . . 71 L HA . 15163 1 718 . 1 1 71 71 LEU HB2 H 1 1.789 0.01 . 1 . . . . 71 L HB2 . 15163 1 719 . 1 1 71 71 LEU HB3 H 1 1.22 0.01 . 1 . . . . 71 L HB3 . 15163 1 720 . 1 1 71 71 LEU HG H 1 1.771 0.01 . 1 . . . . 71 L HG . 15163 1 721 . 1 1 71 71 LEU HD11 H 1 0.735 0.01 . 1 . . . . 71 L HD1 . 15163 1 722 . 1 1 71 71 LEU HD12 H 1 0.735 0.01 . 1 . . . . 71 L HD1 . 15163 1 723 . 1 1 71 71 LEU HD13 H 1 0.735 0.01 . 1 . . . . 71 L HD1 . 15163 1 724 . 1 1 71 71 LEU HD21 H 1 0.735 0.01 . 1 . . . . 71 L HD2 . 15163 1 725 . 1 1 71 71 LEU HD22 H 1 0.735 0.01 . 1 . . . . 71 L HD2 . 15163 1 726 . 1 1 71 71 LEU HD23 H 1 0.735 0.01 . 1 . . . . 71 L HD2 . 15163 1 727 . 1 1 71 71 LEU CA C 13 57.903 0.1 . 1 . . . . 71 L CA . 15163 1 728 . 1 1 71 71 LEU CB C 13 42.412 0.1 . 1 . . . . 71 L CB . 15163 1 729 . 1 1 71 71 LEU CD1 C 13 25.751 0.1 . 1 . . . . 71 L CD1 . 15163 1 730 . 1 1 71 71 LEU CD2 C 13 22.44 0.1 . 1 . . . . 71 L CD2 . 15163 1 731 . 1 1 71 71 LEU N N 15 118.422 0.1 . 1 . . . . 71 L N . 15163 1 732 . 1 1 72 72 ILE H H 1 8.204 0.01 . 1 . . . . 72 I HN . 15163 1 733 . 1 1 72 72 ILE HA H 1 3.177 0.01 . 1 . . . . 72 I HA . 15163 1 734 . 1 1 72 72 ILE HB H 1 1.632 0.01 . 1 . . . . 72 I HB . 15163 1 735 . 1 1 72 72 ILE HG21 H 1 0.121 0.01 . 1 . . . . 72 I HG2# . 15163 1 736 . 1 1 72 72 ILE HG22 H 1 0.121 0.01 . 1 . . . . 72 I HG2# . 15163 1 737 . 1 1 72 72 ILE HG23 H 1 0.121 0.01 . 1 . . . . 72 I HG2# . 15163 1 738 . 1 1 72 72 ILE HD11 H 1 0.353 0.01 . 1 . . . . 72 I HD1# . 15163 1 739 . 1 1 72 72 ILE HD12 H 1 0.353 0.01 . 1 . . . . 72 I HD1# . 15163 1 740 . 1 1 72 72 ILE HD13 H 1 0.353 0.01 . 1 . . . . 72 I HD1# . 15163 1 741 . 1 1 72 72 ILE CA C 13 65.715 0.1 . 1 . . . . 72 I CA . 15163 1 742 . 1 1 72 72 ILE CB C 13 37.467 0.1 . 1 . . . . 72 I CB . 15163 1 743 . 1 1 72 72 ILE CG1 C 13 29.798 0.1 . 1 . . . . 72 I CG1 . 15163 1 744 . 1 1 72 72 ILE CG2 C 13 16.627 0.1 . 1 . . . . 72 I CG2 . 15163 1 745 . 1 1 72 72 ILE CD1 C 13 13.293 0.1 . 1 . . . . 72 I CD1 . 15163 1 746 . 1 1 72 72 ILE N N 15 120.486 0.1 . 1 . . . . 72 I N . 15163 1 747 . 1 1 73 73 LYS H H 1 7.882 0.01 . 1 . . . . 73 K HN . 15163 1 748 . 1 1 73 73 LYS HA H 1 4.239 0.01 . 1 . . . . 73 K HA . 15163 1 749 . 1 1 73 73 LYS HB2 H 1 1.652 0.01 . 1 . . . . 73 K HB2 . 15163 1 750 . 1 1 73 73 LYS HB3 H 1 1.987 0.01 . 1 . . . . 73 K HB3 . 15163 1 751 . 1 1 73 73 LYS HG2 H 1 1.555 0.01 . 1 . . . . 73 K HG# . 15163 1 752 . 1 1 73 73 LYS HG3 H 1 1.555 0.01 . 1 . . . . 73 K HG# . 15163 1 753 . 1 1 73 73 LYS HD2 H 1 1.629 0.01 . 1 . . . . 73 K HD# . 15163 1 754 . 1 1 73 73 LYS HD3 H 1 1.629 0.01 . 1 . . . . 73 K HD# . 15163 1 755 . 1 1 73 73 LYS HE2 H 1 2.841 0.01 . 1 . . . . 73 K HE2 . 15163 1 756 . 1 1 73 73 LYS HE3 H 1 2.903 0.01 . 1 . . . . 73 K HE3 . 15163 1 757 . 1 1 73 73 LYS CA C 13 57.709 0.1 . 1 . . . . 73 K CA . 15163 1 758 . 1 1 73 73 LYS CB C 13 32.392 0.1 . 1 . . . . 73 K CB . 15163 1 759 . 1 1 73 73 LYS CG C 13 25.82 0.1 . 1 . . . . 73 K CG . 15163 1 760 . 1 1 73 73 LYS CD C 13 29.776 0.1 . 1 . . . . 73 K CD . 15163 1 761 . 1 1 73 73 LYS CE C 13 41.648 0.1 . 1 . . . . 73 K CE . 15163 1 762 . 1 1 73 73 LYS N N 15 113.036 0.1 . 1 . . . . 73 K N . 15163 1 763 . 1 1 74 74 SER H H 1 7.364 0.01 . 1 . . . . 74 S HN . 15163 1 764 . 1 1 74 74 SER HA H 1 4.089 0.01 . 1 . . . . 74 S HA . 15163 1 765 . 1 1 74 74 SER HB2 H 1 3.934 0.01 . 1 . . . . 74 S HB# . 15163 1 766 . 1 1 74 74 SER HB3 H 1 3.934 0.01 . 1 . . . . 74 S HB# . 15163 1 767 . 1 1 74 74 SER CA C 13 61.114 0.1 . 1 . . . . 74 S CA . 15163 1 768 . 1 1 74 74 SER CB C 13 63.392 0.1 . 1 . . . . 74 S CB . 15163 1 769 . 1 1 74 74 SER N N 15 114.837 0.1 . 1 . . . . 74 S N . 15163 1 770 . 1 1 75 75 GLY H H 1 7.682 0.01 . 1 . . . . 75 G HN . 15163 1 771 . 1 1 75 75 GLY HA2 H 1 3.831 0.01 . 1 . . . . 75 G HA2 . 15163 1 772 . 1 1 75 75 GLY HA3 H 1 4.538 0.01 . 1 . . . . 75 G HA3 . 15163 1 773 . 1 1 75 75 GLY CA C 13 44.337 0.1 . 1 . . . . 75 G CA . 15163 1 774 . 1 1 75 75 GLY N N 15 109.336 0.1 . 1 . . . . 75 G N . 15163 1 775 . 1 1 76 76 SER H H 1 8.68 0.01 . 1 . . . . 76 S HN . 15163 1 776 . 1 1 76 76 SER HA H 1 4.141 0.01 . 1 . . . . 76 S HA . 15163 1 777 . 1 1 76 76 SER HB2 H 1 3.812 0.01 . 1 . . . . 76 S HB2 . 15163 1 778 . 1 1 76 76 SER HB3 H 1 3.889 0.01 . 1 . . . . 76 S HB3 . 15163 1 779 . 1 1 76 76 SER CA C 13 59.782 0.1 . 1 . . . . 76 S CA . 15163 1 780 . 1 1 76 76 SER CB C 13 63.395 0.1 . 1 . . . . 76 S CB . 15163 1 781 . 1 1 76 76 SER N N 15 113.822 0.1 . 1 . . . . 76 S N . 15163 1 782 . 1 1 77 77 TYR H H 1 7.65 0.01 . 1 . . . . 77 Y HN . 15163 1 783 . 1 1 77 77 TYR HA H 1 5.557 0.01 . 1 . . . . 77 Y HA . 15163 1 784 . 1 1 77 77 TYR HB2 H 1 2.73 0.01 . 1 . . . . 77 Y HB2 . 15163 1 785 . 1 1 77 77 TYR HB3 H 1 2.856 0.01 . 1 . . . . 77 Y HB3 . 15163 1 786 . 1 1 77 77 TYR HD1 H 1 6.823 0.01 . 1 . . . . 77 Y HD# . 15163 1 787 . 1 1 77 77 TYR HD2 H 1 6.823 0.01 . 1 . . . . 77 Y HD# . 15163 1 788 . 1 1 77 77 TYR HE1 H 1 7.098 0.01 . 1 . . . . 77 Y HE# . 15163 1 789 . 1 1 77 77 TYR HE2 H 1 7.098 0.01 . 1 . . . . 77 Y HE# . 15163 1 790 . 1 1 77 77 TYR CA C 13 55.174 0.1 . 1 . . . . 77 Y CA . 15163 1 791 . 1 1 77 77 TYR CB C 13 41.04 0.1 . 1 . . . . 77 Y CB . 15163 1 792 . 1 1 77 77 TYR N N 15 116.728 0.1 . 1 . . . . 77 Y N . 15163 1 793 . 1 1 78 78 VAL H H 1 9.199 0.01 . 1 . . . . 78 V HN . 15163 1 794 . 1 1 78 78 VAL HA H 1 4.681 0.01 . 1 . . . . 78 V HA . 15163 1 795 . 1 1 78 78 VAL HB H 1 1.72 0.01 . 1 . . . . 78 V HB . 15163 1 796 . 1 1 78 78 VAL HG11 H 1 0.726 0.01 . 1 . . . . 78 V HG1# . 15163 1 797 . 1 1 78 78 VAL HG12 H 1 0.726 0.01 . 1 . . . . 78 V HG1# . 15163 1 798 . 1 1 78 78 VAL HG13 H 1 0.726 0.01 . 1 . . . . 78 V HG1# . 15163 1 799 . 1 1 78 78 VAL HG21 H 1 0.416 0.01 . 1 . . . . 78 V HG2# . 15163 1 800 . 1 1 78 78 VAL HG22 H 1 0.416 0.01 . 1 . . . . 78 V HG2# . 15163 1 801 . 1 1 78 78 VAL HG23 H 1 0.416 0.01 . 1 . . . . 78 V HG2# . 15163 1 802 . 1 1 78 78 VAL CA C 13 59.119 0.1 . 1 . . . . 78 V CA . 15163 1 803 . 1 1 78 78 VAL CB C 13 34.784 0.1 . 1 . . . . 78 V CB . 15163 1 804 . 1 1 78 78 VAL CG1 C 13 24.015 0.1 . 1 . . . . 78 V CG1 . 15163 1 805 . 1 1 78 78 VAL CG2 C 13 20.053 0.1 . 1 . . . . 78 V CG2 . 15163 1 806 . 1 1 78 78 VAL N N 15 121.198 0.1 . 1 . . . . 78 V N . 15163 1 807 . 1 1 79 79 ALA H H 1 8.55 0.01 . 1 . . . . 79 A HN . 15163 1 808 . 1 1 79 79 ALA HA H 1 5.057 0.01 . 1 . . . . 79 A HA . 15163 1 809 . 1 1 79 79 ALA HB1 H 1 1.183 0.01 . 1 . . . . 79 A HB# . 15163 1 810 . 1 1 79 79 ALA HB2 H 1 1.183 0.01 . 1 . . . . 79 A HB# . 15163 1 811 . 1 1 79 79 ALA HB3 H 1 1.183 0.01 . 1 . . . . 79 A HB# . 15163 1 812 . 1 1 79 79 ALA CA C 13 49.834 0.1 . 1 . . . . 79 A CA . 15163 1 813 . 1 1 79 79 ALA CB C 13 19.577 0.1 . 1 . . . . 79 A CB . 15163 1 814 . 1 1 79 79 ALA N N 15 130.102 0.1 . 1 . . . . 79 A N . 15163 1 815 . 1 1 80 80 LEU H H 1 9.443 0.01 . 1 . . . . 80 L HN . 15163 1 816 . 1 1 80 80 LEU HA H 1 4.935 0.01 . 1 . . . . 80 L HA . 15163 1 817 . 1 1 80 80 LEU HB2 H 1 1.303 0.01 . 1 . . . . 80 L HB2 . 15163 1 818 . 1 1 80 80 LEU HB3 H 1 1.428 0.01 . 1 . . . . 80 L HB3 . 15163 1 819 . 1 1 80 80 LEU HD11 H 1 0.574 0.01 . 1 . . . . 80 L HD1# . 15163 1 820 . 1 1 80 80 LEU HD12 H 1 0.574 0.01 . 1 . . . . 80 L HD1# . 15163 1 821 . 1 1 80 80 LEU HD13 H 1 0.574 0.01 . 1 . . . . 80 L HD1# . 15163 1 822 . 1 1 80 80 LEU HD21 H 1 0.478 0.01 . 1 . . . . 80 L HD2# . 15163 1 823 . 1 1 80 80 LEU HD22 H 1 0.478 0.01 . 1 . . . . 80 L HD2# . 15163 1 824 . 1 1 80 80 LEU HD23 H 1 0.478 0.01 . 1 . . . . 80 L HD2# . 15163 1 825 . 1 1 80 80 LEU CA C 13 53.056 0.1 . 1 . . . . 80 L CA . 15163 1 826 . 1 1 80 80 LEU CB C 13 44.977 0.1 . 1 . . . . 80 L CB . 15163 1 827 . 1 1 80 80 LEU CG C 13 25.179 0.1 . 1 . . . . 80 L CG . 15163 1 828 . 1 1 80 80 LEU N N 15 127.648 0.1 . 1 . . . . 80 L N . 15163 1 829 . 1 1 81 81 THR H H 1 8.677 0.01 . 1 . . . . 81 T HN . 15163 1 830 . 1 1 81 81 THR HA H 1 5.076 0.01 . 1 . . . . 81 T HA . 15163 1 831 . 1 1 81 81 THR HB H 1 3.735 0.01 . 1 . . . . 81 T HB . 15163 1 832 . 1 1 81 81 THR HG21 H 1 0.95 0.01 . 1 . . . . 81 T HG2# . 15163 1 833 . 1 1 81 81 THR HG22 H 1 0.95 0.01 . 1 . . . . 81 T HG2# . 15163 1 834 . 1 1 81 81 THR HG23 H 1 0.95 0.01 . 1 . . . . 81 T HG2# . 15163 1 835 . 1 1 81 81 THR CA C 13 62.709 0.1 . 1 . . . . 81 T CA . 15163 1 836 . 1 1 81 81 THR CB C 13 67.947 0.1 . 1 . . . . 81 T CB . 15163 1 837 . 1 1 81 81 THR CG2 C 13 21.049 0.1 . 1 . . . . 81 T CG2 . 15163 1 838 . 1 1 81 81 THR N N 15 121.975 0.1 . 1 . . . . 81 T N . 15163 1 839 . 1 1 82 82 VAL H H 1 9.342 0.01 . 1 . . . . 82 V HN . 15163 1 840 . 1 1 82 82 VAL HA H 1 5.473 0.01 . 1 . . . . 82 V HA . 15163 1 841 . 1 1 82 82 VAL HB H 1 1.841 0.01 . 1 . . . . 82 V HB . 15163 1 842 . 1 1 82 82 VAL HG11 H 1 0.661 0.01 . 1 . . . . 82 V HG1# . 15163 1 843 . 1 1 82 82 VAL HG12 H 1 0.661 0.01 . 1 . . . . 82 V HG1# . 15163 1 844 . 1 1 82 82 VAL HG13 H 1 0.661 0.01 . 1 . . . . 82 V HG1# . 15163 1 845 . 1 1 82 82 VAL HG21 H 1 0.598 0.01 . 1 . . . . 82 V HG2# . 15163 1 846 . 1 1 82 82 VAL HG22 H 1 0.598 0.01 . 1 . . . . 82 V HG2# . 15163 1 847 . 1 1 82 82 VAL HG23 H 1 0.598 0.01 . 1 . . . . 82 V HG2# . 15163 1 848 . 1 1 82 82 VAL CA C 13 57.751 0.1 . 1 . . . . 82 V CA . 15163 1 849 . 1 1 82 82 VAL CB C 13 36.203 0.1 . 1 . . . . 82 V CB . 15163 1 850 . 1 1 82 82 VAL CG1 C 13 17.629 0.1 . 1 . . . . 82 V CG1 . 15163 1 851 . 1 1 82 82 VAL CG2 C 13 21.908 0.1 . 1 . . . . 82 V CG2 . 15163 1 852 . 1 1 82 82 VAL N N 15 120.492 0.1 . 1 . . . . 82 V N . 15163 1 853 . 1 1 83 83 GLN H H 1 8.772 0.01 . 1 . . . . 83 Q HN . 15163 1 854 . 1 1 83 83 GLN HA H 1 5.065 0.01 . 1 . . . . 83 Q HA . 15163 1 855 . 1 1 83 83 GLN HB2 H 1 1.651 0.01 . 1 . . . . 83 Q HB2 . 15163 1 856 . 1 1 83 83 GLN HB3 H 1 1.849 0.01 . 1 . . . . 83 Q HB3 . 15163 1 857 . 1 1 83 83 GLN HG2 H 1 2.078 0.01 . 1 . . . . 83 Q HG# . 15163 1 858 . 1 1 83 83 GLN HG3 H 1 2.078 0.01 . 1 . . . . 83 Q HG# . 15163 1 859 . 1 1 83 83 GLN CA C 13 53.9 0.1 . 1 . . . . 83 Q CA . 15163 1 860 . 1 1 83 83 GLN CB C 13 32.798 0.1 . 1 . . . . 83 Q CB . 15163 1 861 . 1 1 83 83 GLN CG C 13 34.053 0.1 . 1 . . . . 83 Q CG . 15163 1 862 . 1 1 83 83 GLN N N 15 119.208 0.1 . 1 . . . . 83 Q N . 15163 1 863 . 1 1 84 84 GLY H H 1 8.665 0.01 . 1 . . . . 84 G HN . 15163 1 864 . 1 1 84 84 GLY HA2 H 1 4.037 0.01 . 1 . . . . 84 G HA2 . 15163 1 865 . 1 1 84 84 GLY HA3 H 1 4.348 0.01 . 1 . . . . 84 G HA3 . 15163 1 866 . 1 1 84 84 GLY CA C 13 45.314 0.1 . 1 . . . . 84 G CA . 15163 1 867 . 1 1 84 84 GLY N N 15 112.607 0.1 . 1 . . . . 84 G N . 15163 1 868 . 1 1 85 85 ARG H H 1 8.579 0.01 . 1 . . . . 85 R HN . 15163 1 869 . 1 1 85 85 ARG HA H 1 4.451 0.01 . 1 . . . . 85 R HA . 15163 1 870 . 1 1 85 85 ARG HB2 H 1 1.894 0.01 . 1 . . . . 85 R HB . 15163 1 871 . 1 1 85 85 ARG HB3 H 1 1.894 0.01 . 1 . . . . 85 R HB . 15163 1 872 . 1 1 85 85 ARG HG2 H 1 1.571 0.01 . 1 . . . . 85 R HG# . 15163 1 873 . 1 1 85 85 ARG HG3 H 1 1.571 0.01 . 1 . . . . 85 R HG# . 15163 1 874 . 1 1 85 85 ARG HD2 H 1 3.511 0.01 . 1 . . . . 85 R HD2 . 15163 1 875 . 1 1 85 85 ARG HD3 H 1 3.788 0.01 . 1 . . . . 85 R HD3 . 15163 1 876 . 1 1 85 85 ARG CA C 13 54.434 0.1 . 1 . . . . 85 R CA . 15163 1 877 . 1 1 85 85 ARG CB C 13 29.781 0.1 . 1 . . . . 85 R CB . 15163 1 878 . 1 1 85 85 ARG N N 15 121.3 0.1 . 1 . . . . 85 R N . 15163 1 879 . 1 1 87 87 PRO HA H 1 4.306 0.01 . 1 . . . . 87 P HA . 15163 1 880 . 1 1 87 87 PRO HB2 H 1 1.842 0.01 . 1 . . . . 87 P HB2 . 15163 1 881 . 1 1 87 87 PRO HB3 H 1 2.167 0.01 . 1 . . . . 87 P HB3 . 15163 1 882 . 1 1 87 87 PRO HG2 H 1 1.853 0.01 . 1 . . . . 87 P HG2 . 15163 1 883 . 1 1 87 87 PRO HG3 H 1 1.978 0.01 . 1 . . . . 87 P HG3 . 15163 1 884 . 1 1 87 87 PRO HD2 H 1 3.596 0.01 . 1 . . . . 87 P HD# . 15163 1 885 . 1 1 87 87 PRO HD3 H 1 3.596 0.01 . 1 . . . . 87 P HD# . 15163 1 886 . 1 1 87 87 PRO CA C 13 63.336 0.1 . 1 . . . . 87 P CA . 15163 1 887 . 1 1 87 87 PRO CB C 13 31.979 0.1 . 1 . . . . 87 P CB . 15163 1 888 . 1 1 87 87 PRO CG C 13 27.625 0.1 . 1 . . . . 87 P CG . 15163 1 889 . 1 1 87 87 PRO CD C 13 50.542 0.1 . 1 . . . . 87 P CD . 15163 1 890 . 1 1 88 88 GLY H H 1 8.617 0.01 . 1 . . . . 88 G HN . 15163 1 891 . 1 1 88 88 GLY HA2 H 1 3.774 0.01 . 1 . . . . 88 G HA2 . 15163 1 892 . 1 1 88 88 GLY HA3 H 1 3.949 0.01 . 1 . . . . 88 G HA3 . 15163 1 893 . 1 1 88 88 GLY CA C 13 45.335 0.1 . 1 . . . . 88 G CA . 15163 1 894 . 1 1 88 88 GLY N N 15 110.922 0.1 . 1 . . . . 88 G N . 15163 1 895 . 1 1 89 89 SER H H 1 7.824 0.01 . 1 . . . . 89 S HN . 15163 1 896 . 1 1 89 89 SER CA C 13 59.894 0.1 . 1 . . . . 89 S CA . 15163 1 897 . 1 1 89 89 SER CB C 13 65.154 0.1 . 1 . . . . 89 S CB . 15163 1 898 . 1 1 89 89 SER N N 15 121.215 0.1 . 1 . . . . 89 S N . 15163 1 899 . 2 2 1 1 VAL HA H 1 3.729 0.01 . 1 . . . . 1 V HA . 15163 1 900 . 2 2 1 1 VAL HB H 1 2.12 0.01 . 1 . . . . 1 V HB . 15163 1 901 . 2 2 1 1 VAL HG11 H 1 0.93 0.01 . 1 . . . . 1 V HG1 . 15163 1 902 . 2 2 1 1 VAL HG12 H 1 0.93 0.01 . 1 . . . . 1 V HG1 . 15163 1 903 . 2 2 1 1 VAL HG13 H 1 0.93 0.01 . 1 . . . . 1 V HG1 . 15163 1 904 . 2 2 1 1 VAL HG21 H 1 0.93 0.01 . 1 . . . . 1 V HG2 . 15163 1 905 . 2 2 1 1 VAL HG22 H 1 0.93 0.01 . 1 . . . . 1 V HG2 . 15163 1 906 . 2 2 1 1 VAL HG23 H 1 0.93 0.01 . 1 . . . . 1 V HG2 . 15163 1 907 . 2 2 2 2 GLU HA H 1 4.298 0.01 . 1 . . . . 2 E HA . 15163 1 908 . 2 2 2 2 GLU HB2 H 1 2.175 0.01 . 1 . . . . 2 E HB2 . 15163 1 909 . 2 2 2 2 GLU HB3 H 1 1.952 0.01 . 1 . . . . 2 E HB3 . 15163 1 910 . 2 2 3 3 ASN HA H 1 4.597 0.01 . 1 . . . . 3 N HA . 15163 1 911 . 2 2 3 3 ASN HB2 H 1 2.639 0.01 . 1 . . . . 3 N HB# . 15163 1 912 . 2 2 3 3 ASN HB3 H 1 2.639 0.01 . 1 . . . . 3 N HB# . 15163 1 913 . 2 2 4 4 LYS H H 1 7.369 0.01 . 1 . . . . 4 K HN . 15163 1 914 . 2 2 4 4 LYS HA H 1 4.279 0.01 . 1 . . . . 4 K HA . 15163 1 915 . 2 2 4 4 LYS HB2 H 1 1.731 0.01 . 1 . . . . 4 K HB2 . 15163 1 916 . 2 2 4 4 LYS HB3 H 1 1.581 0.01 . 1 . . . . 4 K HB3 . 15163 1 917 . 2 2 4 4 LYS HG2 H 1 1.313 0.01 . 1 . . . . 4 K HG# . 15163 1 918 . 2 2 4 4 LYS HG3 H 1 1.313 0.01 . 1 . . . . 4 K HG# . 15163 1 919 . 2 2 4 4 LYS HD2 H 1 1.62 0.01 . 1 . . . . 4 K HD# . 15163 1 920 . 2 2 4 4 LYS HD3 H 1 1.62 0.01 . 1 . . . . 4 K HD# . 15163 1 921 . 2 2 4 4 LYS HE2 H 1 2.885 0.01 . 1 . . . . 4 K HE# . 15163 1 922 . 2 2 4 4 LYS HE3 H 1 2.885 0.01 . 1 . . . . 4 K HE# . 15163 1 923 . 2 2 5 5 VAL HA H 1 4.075 0.01 . 1 . . . . 5 V HA . 15163 1 924 . 2 2 5 5 VAL HB H 1 2.023 0.01 . 1 . . . . 5 V HB . 15163 1 925 . 2 2 5 5 VAL HG11 H 1 0.864 0.01 . 1 . . . . 5 V HG1 . 15163 1 926 . 2 2 5 5 VAL HG12 H 1 0.864 0.01 . 1 . . . . 5 V HG1 . 15163 1 927 . 2 2 5 5 VAL HG13 H 1 0.864 0.01 . 1 . . . . 5 V HG1 . 15163 1 928 . 2 2 5 5 VAL HG21 H 1 0.864 0.01 . 1 . . . . 5 V HG2 . 15163 1 929 . 2 2 5 5 VAL HG22 H 1 0.864 0.01 . 1 . . . . 5 V HG2 . 15163 1 930 . 2 2 5 5 VAL HG23 H 1 0.864 0.01 . 1 . . . . 5 V HG2 . 15163 1 931 . 2 2 6 6 THR H H 1 8.153 0.01 . 1 . . . . 6 T HN . 15163 1 932 . 2 2 6 6 THR HA H 1 4.281 0.01 . 1 . . . . 6 T HA . 15163 1 933 . 2 2 6 6 THR HB H 1 4.132 0.01 . 1 . . . . 6 T HB . 15163 1 934 . 2 2 6 6 THR HG21 H 1 1.103 0.01 . 1 . . . . 6 T HG2# . 15163 1 935 . 2 2 6 6 THR HG22 H 1 1.103 0.01 . 1 . . . . 6 T HG2# . 15163 1 936 . 2 2 6 6 THR HG23 H 1 1.103 0.01 . 1 . . . . 6 T HG2# . 15163 1 937 . 2 2 7 7 ASP HA H 1 4.539 0.01 . 1 . . . . 7 D HA . 15163 1 938 . 2 2 7 7 ASP HB2 H 1 2.651 0.01 . 1 . . . . 7 D HB2 . 15163 1 939 . 2 2 7 7 ASP HB3 H 1 2.509 0.01 . 1 . . . . 7 D HB3 . 15163 1 940 . 2 2 8 8 LEU H H 1 7.804 0.01 . 1 . . . . 8 L HN . 15163 1 941 . 2 2 8 8 LEU HA H 1 4.074 0.01 . 1 . . . . 8 L HA . 15163 1 942 . 2 2 8 8 LEU HB2 H 1 1.494 0.01 . 1 . . . . 8 L HB# . 15163 1 943 . 2 2 8 8 LEU HB3 H 1 1.494 0.01 . 1 . . . . 8 L HB# . 15163 1 944 . 2 2 8 8 LEU HG H 1 1.494 0.01 . 1 . . . . 8 L HG . 15163 1 945 . 2 2 8 8 LEU HD11 H 1 0.813 0.01 . 1 . . . . 8 L HD1# . 15163 1 946 . 2 2 8 8 LEU HD12 H 1 0.813 0.01 . 1 . . . . 8 L HD1# . 15163 1 947 . 2 2 8 8 LEU HD13 H 1 0.813 0.01 . 1 . . . . 8 L HD1# . 15163 1 948 . 2 2 8 8 LEU HD21 H 1 0.771 0.01 . 1 . . . . 8 L HD2# . 15163 1 949 . 2 2 8 8 LEU HD22 H 1 0.771 0.01 . 1 . . . . 8 L HD2# . 15163 1 950 . 2 2 8 8 LEU HD23 H 1 0.771 0.01 . 1 . . . . 8 L HD2# . 15163 1 stop_ save_