data_15088 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15088 _Entry.Title ; Northeast Structural Genomics Consortium Target ER411 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-29 _Entry.Accession_date 2006-12-29 _Entry.Last_release_date . _Entry.Original_release_date . _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 'E. Coli Hypothetical protein yfjz' _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 Fang Tian . . . 15088 2 Jim Prestegard . . . 15088 3 Li Zhao . . . 15088 4 Mei Jiang . . . 15088 5 Kellie Cunningham . . . 15088 6 Li-Chung Ma . . . 15088 7 Rong Xiao . . . 15088 8 Jinfeng Liu . . . 15088 9 Michael Baran . . . 15088 10 G.V.T. Swapna . . . 15088 11 Thomas Acton . B. . 15088 12 Burkhard Rost . . . 15088 13 Gaetano Monteline . T. . 15088 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15088 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Hypothetical protein' . 15088 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15088 RDCs 1 15088 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 287 15088 '15N chemical shifts' 98 15088 '1H chemical shifts' 634 15088 'residual dipolar couplings' 249 15088 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 2 . . 2009-06-23 2006-12-29 update BMRB 'added time domain data' 15088 1 . . 2007-02-23 2006-12-29 original author 'original release' 15088 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JN7 'BMRB Entry Tracking System' 15088 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15088 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR solution structure of E.Coli hypothetical protein YFJZ' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Fang Tian . . . 15088 1 2 Jim Prestegard . . . 15088 1 3 Gaetano Monteline . T. . 15088 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15088 _Assembly.ID 1 _Assembly.Name ER411 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 ER411 1 $ER411 A . yes native no no . . . 15088 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ER411 _Entity.Sf_category entity _Entity.Sf_framecode ER411 _Entity.Entry_ID 15088 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ER411 _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 ; MSNTTWGLQRDITPRLGARL VQEGNQLHYLADRASITGKF SDAECPKLDVVFPHFISQIE SMLTTGELNPRHAQCVTLYH NGFTCEADTLGSCGYVYIAV YPTQRLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1 _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11754.372 _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 yes SWS P52141 . yfjz . . . . . . . . . . . . . . 15088 1 2 no PDB 2EA9 . "Crystal Structure Of A Hypothetical Protein Jw2626 From E.Coli" . . . . . 92.92 105 100.00 100.00 2.13e-72 . . . . 15088 1 3 no PDB 2JN7 . "Northeast Structural Genomics Consortium Target Er411" . . . . . 100.00 113 100.00 100.00 1.09e-78 . . . . 15088 1 4 no DBJ BAA16513 . "antitoxin of the YpjF-YfjZ toxin-antitoxin system [Escherichia coli str. K12 substr. W3110]" . . . . . 92.92 105 100.00 100.00 2.13e-72 . . . . 15088 1 5 no DBJ BAJ44421 . "CP4-57 prophage; antitoxin of the YpjF-YfjZ toxin-antitoxin system [Escherichia coli DH1]" . . . . . 92.92 105 100.00 100.00 2.13e-72 . . . . 15088 1 6 no EMBL CDJ74165 . "CP4-57 prophage; antitoxin of the YpjF-YfjZ toxin-antitoxin system [Escherichia coli str. K-12 substr. MC4100]" . . . . . 92.92 105 100.00 100.00 2.13e-72 . . . . 15088 1 7 no EMBL CDY60737 . "CP4-57 prophage; predicted antitoxin of the YpjF-YfjZ toxin-antitoxin system [Escherichia coli]" . . . . . 92.92 105 100.00 100.00 2.13e-72 . . . . 15088 1 8 no EMBL CDZ21454 . "CP4-57 prophage; predicted antitoxin of the YpjF-YfjZ toxin-antitoxin system [Escherichia coli]" . . . . . 92.92 105 100.00 100.00 2.13e-72 . . . . 15088 1 9 no EMBL CQR82105 . "CP4-57 prophage; antitoxin of the YpjF-YfjZ toxin-antitoxin system [Escherichia coli K-12]" . . . . . 92.92 105 100.00 100.00 2.13e-72 . . . . 15088 1 10 no EMBL CUH56935 . "CP4-57 prophage [Escherichia coli KRX]" . . . . . 92.92 105 100.00 100.00 2.13e-72 . . . . 15088 1 11 no GB AAA79813 . "ORF_o105 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 92.92 105 100.00 100.00 2.13e-72 . . . . 15088 1 12 no GB AAC75693 . "CP4-57 prophage; antitoxin of the YpjF-YfjZ toxin-antitoxin system [Escherichia coli str. K-12 substr. MG1655]" . . . . . 92.92 105 100.00 100.00 2.13e-72 . . . . 15088 1 13 no GB ACB03787 . "CP4-57 prophage; antitoxin of the YpjF-YfjZ toxin-antitoxin system [Escherichia coli str. K-12 substr. DH10B]" . . . . . 92.92 105 100.00 100.00 2.13e-72 . . . . 15088 1 14 no GB ACR62618 . "CP4-57 prophage; antitoxin of the YpjF-YfjZ toxin-antitoxin system [Escherichia coli BW2952]" . . . . . 92.92 105 100.00 100.00 2.13e-72 . . . . 15088 1 15 no GB ACX38708 . "YagBYeeUYfjZ family protein [Escherichia coli DH1]" . . . . . 92.92 105 100.00 100.00 2.13e-72 . . . . 15088 1 16 no REF NP_417132 . "CP4-57 prophage; antitoxin of the YpjF-YfjZ toxin-antitoxin system [Escherichia coli str. K-12 substr. MG1655]" . . . . . 92.92 105 100.00 100.00 2.13e-72 . . . . 15088 1 17 no REF WP_000072689 . "antitoxin [Escherichia coli]" . . . . . 92.92 105 99.05 99.05 1.67e-71 . . . . 15088 1 18 no REF WP_000072690 . "hypothetical protein [Escherichia coli]" . . . . . 92.92 105 100.00 100.00 2.13e-72 . . . . 15088 1 19 no REF WP_001698961 . "antitoxin, partial [Escherichia coli]" . . . . . 66.37 75 100.00 100.00 4.84e-48 . . . . 15088 1 20 no REF WP_047666283 . "antitoxin, partial [Escherichia coli]" . . . . . 80.53 91 100.00 100.00 1.47e-60 . . . . 15088 1 21 no SP P52141 . "RecName: Full=Putative antitoxin YfjZ" . . . . . 92.92 105 100.00 100.00 2.13e-72 . . . . 15088 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 . MET . 15088 1 2 . SER . 15088 1 3 . ASN . 15088 1 4 . THR . 15088 1 5 . THR . 15088 1 6 . TRP . 15088 1 7 . GLY . 15088 1 8 . LEU . 15088 1 9 . GLN . 15088 1 10 . ARG . 15088 1 11 . ASP . 15088 1 12 . ILE . 15088 1 13 . THR . 15088 1 14 . PRO . 15088 1 15 . ARG . 15088 1 16 . LEU . 15088 1 17 . GLY . 15088 1 18 . ALA . 15088 1 19 . ARG . 15088 1 20 . LEU . 15088 1 21 . VAL . 15088 1 22 . GLN . 15088 1 23 . GLU . 15088 1 24 . GLY . 15088 1 25 . ASN . 15088 1 26 . GLN . 15088 1 27 . LEU . 15088 1 28 . HIS . 15088 1 29 . TYR . 15088 1 30 . LEU . 15088 1 31 . ALA . 15088 1 32 . ASP . 15088 1 33 . ARG . 15088 1 34 . ALA . 15088 1 35 . SER . 15088 1 36 . ILE . 15088 1 37 . THR . 15088 1 38 . GLY . 15088 1 39 . LYS . 15088 1 40 . PHE . 15088 1 41 . SER . 15088 1 42 . ASP . 15088 1 43 . ALA . 15088 1 44 . GLU . 15088 1 45 . CYS . 15088 1 46 . PRO . 15088 1 47 . LYS . 15088 1 48 . LEU . 15088 1 49 . ASP . 15088 1 50 . VAL . 15088 1 51 . VAL . 15088 1 52 . PHE . 15088 1 53 . PRO . 15088 1 54 . HIS . 15088 1 55 . PHE . 15088 1 56 . ILE . 15088 1 57 . SER . 15088 1 58 . GLN . 15088 1 59 . ILE . 15088 1 60 . GLU . 15088 1 61 . SER . 15088 1 62 . MET . 15088 1 63 . LEU . 15088 1 64 . THR . 15088 1 65 . THR . 15088 1 66 . GLY . 15088 1 67 . GLU . 15088 1 68 . LEU . 15088 1 69 . ASN . 15088 1 70 . PRO . 15088 1 71 . ARG . 15088 1 72 . HIS . 15088 1 73 . ALA . 15088 1 74 . GLN . 15088 1 75 . CYS . 15088 1 76 . VAL . 15088 1 77 . THR . 15088 1 78 . LEU . 15088 1 79 . TYR . 15088 1 80 . HIS . 15088 1 81 . ASN . 15088 1 82 . GLY . 15088 1 83 . PHE . 15088 1 84 . THR . 15088 1 85 . CYS . 15088 1 86 . GLU . 15088 1 87 . ALA . 15088 1 88 . ASP . 15088 1 89 . THR . 15088 1 90 . LEU . 15088 1 91 . GLY . 15088 1 92 . SER . 15088 1 93 . CYS . 15088 1 94 . GLY . 15088 1 95 . TYR . 15088 1 96 . VAL . 15088 1 97 . TYR . 15088 1 98 . ILE . 15088 1 99 . ALA . 15088 1 100 . VAL . 15088 1 101 . TYR . 15088 1 102 . PRO . 15088 1 103 . THR . 15088 1 104 . GLN . 15088 1 105 . ARG . 15088 1 106 . LEU . 15088 1 107 . GLU . 15088 1 108 . HIS . 15088 1 109 . HIS . 15088 1 110 . HIS . 15088 1 111 . HIS . 15088 1 112 . HIS . 15088 1 113 . HIS . 15088 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 . MET 1 1 15088 1 . SER 2 2 15088 1 . ASN 3 3 15088 1 . THR 4 4 15088 1 . THR 5 5 15088 1 . TRP 6 6 15088 1 . GLY 7 7 15088 1 . LEU 8 8 15088 1 . GLN 9 9 15088 1 . ARG 10 10 15088 1 . ASP 11 11 15088 1 . ILE 12 12 15088 1 . THR 13 13 15088 1 . PRO 14 14 15088 1 . ARG 15 15 15088 1 . LEU 16 16 15088 1 . GLY 17 17 15088 1 . ALA 18 18 15088 1 . ARG 19 19 15088 1 . LEU 20 20 15088 1 . VAL 21 21 15088 1 . GLN 22 22 15088 1 . GLU 23 23 15088 1 . GLY 24 24 15088 1 . ASN 25 25 15088 1 . GLN 26 26 15088 1 . LEU 27 27 15088 1 . HIS 28 28 15088 1 . TYR 29 29 15088 1 . LEU 30 30 15088 1 . ALA 31 31 15088 1 . ASP 32 32 15088 1 . ARG 33 33 15088 1 . ALA 34 34 15088 1 . SER 35 35 15088 1 . ILE 36 36 15088 1 . THR 37 37 15088 1 . GLY 38 38 15088 1 . LYS 39 39 15088 1 . PHE 40 40 15088 1 . SER 41 41 15088 1 . ASP 42 42 15088 1 . ALA 43 43 15088 1 . GLU 44 44 15088 1 . CYS 45 45 15088 1 . PRO 46 46 15088 1 . LYS 47 47 15088 1 . LEU 48 48 15088 1 . ASP 49 49 15088 1 . VAL 50 50 15088 1 . VAL 51 51 15088 1 . PHE 52 52 15088 1 . PRO 53 53 15088 1 . HIS 54 54 15088 1 . PHE 55 55 15088 1 . ILE 56 56 15088 1 . SER 57 57 15088 1 . GLN 58 58 15088 1 . ILE 59 59 15088 1 . GLU 60 60 15088 1 . SER 61 61 15088 1 . MET 62 62 15088 1 . LEU 63 63 15088 1 . THR 64 64 15088 1 . THR 65 65 15088 1 . GLY 66 66 15088 1 . GLU 67 67 15088 1 . LEU 68 68 15088 1 . ASN 69 69 15088 1 . PRO 70 70 15088 1 . ARG 71 71 15088 1 . HIS 72 72 15088 1 . ALA 73 73 15088 1 . GLN 74 74 15088 1 . CYS 75 75 15088 1 . VAL 76 76 15088 1 . THR 77 77 15088 1 . LEU 78 78 15088 1 . TYR 79 79 15088 1 . HIS 80 80 15088 1 . ASN 81 81 15088 1 . GLY 82 82 15088 1 . PHE 83 83 15088 1 . THR 84 84 15088 1 . CYS 85 85 15088 1 . GLU 86 86 15088 1 . ALA 87 87 15088 1 . ASP 88 88 15088 1 . THR 89 89 15088 1 . LEU 90 90 15088 1 . GLY 91 91 15088 1 . SER 92 92 15088 1 . CYS 93 93 15088 1 . GLY 94 94 15088 1 . TYR 95 95 15088 1 . VAL 96 96 15088 1 . TYR 97 97 15088 1 . ILE 98 98 15088 1 . ALA 99 99 15088 1 . VAL 100 100 15088 1 . TYR 101 101 15088 1 . PRO 102 102 15088 1 . THR 103 103 15088 1 . GLN 104 104 15088 1 . ARG 105 105 15088 1 . LEU 106 106 15088 1 . GLU 107 107 15088 1 . HIS 108 108 15088 1 . HIS 109 109 15088 1 . HIS 110 110 15088 1 . HIS 111 111 15088 1 . HIS 112 112 15088 1 . HIS 113 113 15088 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15088 _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 $ER411 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15088 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 15088 _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 $ER411 . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . pET21 . . . . . . 15088 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15088 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N ER411, 1.1 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ER411 '[U-100% 13C; U-100% 15N]' . . 1 $ER411 . . 1.1 . . mM . . . . 15088 1 2 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15088 1 3 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 15088 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15088 1 5 H2O . . . . . . . 90 . . % . . . . 15088 1 6 D2O . . . . . . . 10 . . % . . . . 15088 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15088 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N ER411,0.5 mM in phage (5mg/ml)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ER411 '[U-100% 13C; U-100% 15N]' . . 1 $ER411 . . 0.5 . . mM . . . . 15088 2 2 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15088 2 3 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 15088 2 4 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 15088 2 5 'Pf1 phage' 'natural abundance' . . . . . . 5 . . mg . . . . 15088 2 6 H2O . . . . . . . 90 . . % . . . . 15088 2 7 D2O . . . . . . . 10 . . % . . . . 15088 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 15088 _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 pH 6.5 . pH 15088 1 temperature 298 . K 15088 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15088 _Software.ID 1 _Software.Name FELIX _Software.Version 2004 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15088 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15088 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15088 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version 2.15 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15088 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15088 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15088 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15088 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15088 3 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 15088 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15088 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15088 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15088 1 2 spectrometer_2 Varian INOVA . 900 . . . 15088 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 15088 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15088 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15088 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15088 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15088 1 5 '3D 1H-15N NOESY' yes 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15088 1 6 '3D 1H-13C NOESY (aliph)' yes 2 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15088 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15088 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15088 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15088 1 10 '3D 1H-13C NOESY (arom)' yes 3 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15088 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 15088 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15088 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15088 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15088 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 15088 _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 '2D 1H-15N HSQC' . . . 15088 1 2 '2D 1H-13C HSQC' . . . 15088 1 3 '3D CBCA(CO)NH' . . . 15088 1 7 '3D HCCH-TOCSY' . . . 15088 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Felix . . 15088 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 ASN HA H 1 4.740 0.06 . 1 . . . . 3 ASN HA . 15088 1 2 . 1 1 3 3 ASN HB2 H 1 2.707 0.06 . 2 . . . . 3 ASN HB2 . 15088 1 3 . 1 1 3 3 ASN HB3 H 1 2.707 0.06 . 2 . . . . 3 ASN HB3 . 15088 1 4 . 1 1 3 3 ASN CA C 13 52.719 0.5 . 1 . . . . 3 ASN CA . 15088 1 5 . 1 1 3 3 ASN CB C 13 38.344 0.5 . 1 . . . . 3 ASN CB . 15088 1 6 . 1 1 4 4 THR H H 1 8.142 0.03 . 1 . . . . 4 THR H . 15088 1 7 . 1 1 4 4 THR HA H 1 4.059 0.06 . 1 . . . . 4 THR HA . 15088 1 8 . 1 1 4 4 THR HB H 1 3.790 0.06 . 1 . . . . 4 THR HB . 15088 1 9 . 1 1 4 4 THR HG21 H 1 0.608 0.06 . 1 . . . . 4 THR HG2 . 15088 1 10 . 1 1 4 4 THR HG22 H 1 0.608 0.06 . 1 . . . . 4 THR HG2 . 15088 1 11 . 1 1 4 4 THR HG23 H 1 0.608 0.06 . 1 . . . . 4 THR HG2 . 15088 1 12 . 1 1 4 4 THR CA C 13 61.542 0.5 . 1 . . . . 4 THR CA . 15088 1 13 . 1 1 4 4 THR CB C 13 69.257 0.5 . 1 . . . . 4 THR CB . 15088 1 14 . 1 1 4 4 THR CG2 C 13 20.547 0.5 . 1 . . . . 4 THR CG2 . 15088 1 15 . 1 1 4 4 THR N N 15 116.100 0.2 . 1 . . . . 4 THR N . 15088 1 16 . 1 1 5 5 THR H H 1 7.898 0.03 . 1 . . . . 5 THR H . 15088 1 17 . 1 1 5 5 THR HA H 1 4.167 0.06 . 1 . . . . 5 THR HA . 15088 1 18 . 1 1 5 5 THR HB H 1 3.920 0.06 . 1 . . . . 5 THR HB . 15088 1 19 . 1 1 5 5 THR HG21 H 1 0.975 0.06 . 1 . . . . 5 THR HG2 . 15088 1 20 . 1 1 5 5 THR HG22 H 1 0.975 0.06 . 1 . . . . 5 THR HG2 . 15088 1 21 . 1 1 5 5 THR HG23 H 1 0.975 0.06 . 1 . . . . 5 THR HG2 . 15088 1 22 . 1 1 5 5 THR CA C 13 60.219 0.5 . 1 . . . . 5 THR CA . 15088 1 23 . 1 1 5 5 THR CB C 13 69.457 0.5 . 1 . . . . 5 THR CB . 15088 1 24 . 1 1 5 5 THR CG2 C 13 21.040 0.5 . 1 . . . . 5 THR CG2 . 15088 1 25 . 1 1 5 5 THR N N 15 117.796 0.2 . 1 . . . . 5 THR N . 15088 1 26 . 1 1 6 6 TRP H H 1 8.248 0.03 . 1 . . . . 6 TRP H . 15088 1 27 . 1 1 6 6 TRP HA H 1 4.608 0.06 . 1 . . . . 6 TRP HA . 15088 1 28 . 1 1 6 6 TRP HB2 H 1 2.986 0.06 . 2 . . . . 6 TRP HB2 . 15088 1 29 . 1 1 6 6 TRP HB3 H 1 2.626 0.06 . 2 . . . . 6 TRP HB3 . 15088 1 30 . 1 1 6 6 TRP HD1 H 1 6.870 0.06 . 1 . . . . 6 TRP HD1 . 15088 1 31 . 1 1 6 6 TRP HE1 H 1 10.003 0.06 . 1 . . . . 6 TRP HE1 . 15088 1 32 . 1 1 6 6 TRP HE3 H 1 7.488 0.06 . 1 . . . . 6 TRP HE3 . 15088 1 33 . 1 1 6 6 TRP HH2 H 1 7.090 0.06 . 1 . . . . 6 TRP HH2 . 15088 1 34 . 1 1 6 6 TRP HZ2 H 1 7.443 0.06 . 1 . . . . 6 TRP HZ2 . 15088 1 35 . 1 1 6 6 TRP HZ3 H 1 6.863 0.06 . 1 . . . . 6 TRP HZ3 . 15088 1 36 . 1 1 6 6 TRP CA C 13 55.971 0.5 . 1 . . . . 6 TRP CA . 15088 1 37 . 1 1 6 6 TRP CB C 13 32.251 0.5 . 1 . . . . 6 TRP CB . 15088 1 38 . 1 1 6 6 TRP CD1 C 13 127.752 0.5 . 1 . . . . 6 TRP CD1 . 15088 1 39 . 1 1 6 6 TRP CE3 C 13 120.096 0.5 . 1 . . . . 6 TRP CE3 . 15088 1 40 . 1 1 6 6 TRP CH2 C 13 124.338 0.5 . 1 . . . . 6 TRP CH2 . 15088 1 41 . 1 1 6 6 TRP CZ2 C 13 114.979 0.5 . 1 . . . . 6 TRP CZ2 . 15088 1 42 . 1 1 6 6 TRP CZ3 C 13 121.307 0.5 . 1 . . . . 6 TRP CZ3 . 15088 1 43 . 1 1 6 6 TRP N N 15 123.584 0.2 . 1 . . . . 6 TRP N . 15088 1 44 . 1 1 6 6 TRP NE1 N 15 129.484 0.2 . 1 . . . . 6 TRP NE1 . 15088 1 45 . 1 1 7 7 GLY H H 1 8.590 0.03 . 1 . . . . 7 GLY H . 15088 1 46 . 1 1 7 7 GLY HA2 H 1 4.668 0.06 . 2 . . . . 7 GLY HA2 . 15088 1 47 . 1 1 7 7 GLY HA3 H 1 3.904 0.06 . 2 . . . . 7 GLY HA3 . 15088 1 48 . 1 1 7 7 GLY CA C 13 44.451 0.5 . 1 . . . . 7 GLY CA . 15088 1 49 . 1 1 7 7 GLY N N 15 103.966 0.2 . 1 . . . . 7 GLY N . 15088 1 50 . 1 1 8 8 LEU H H 1 6.805 0.03 . 1 . . . . 8 LEU H . 15088 1 51 . 1 1 8 8 LEU HA H 1 4.204 0.06 . 1 . . . . 8 LEU HA . 15088 1 52 . 1 1 8 8 LEU HB2 H 1 1.249 0.06 . 2 . . . . 8 LEU HB2 . 15088 1 53 . 1 1 8 8 LEU HB3 H 1 1.249 0.06 . 2 . . . . 8 LEU HB3 . 15088 1 54 . 1 1 8 8 LEU HD11 H 1 0.817 0.06 . 2 . . . . 8 LEU HD1 . 15088 1 55 . 1 1 8 8 LEU HD12 H 1 0.817 0.06 . 2 . . . . 8 LEU HD1 . 15088 1 56 . 1 1 8 8 LEU HD13 H 1 0.817 0.06 . 2 . . . . 8 LEU HD1 . 15088 1 57 . 1 1 8 8 LEU HD21 H 1 0.817 0.06 . 2 . . . . 8 LEU HD2 . 15088 1 58 . 1 1 8 8 LEU HD22 H 1 0.817 0.06 . 2 . . . . 8 LEU HD2 . 15088 1 59 . 1 1 8 8 LEU HD23 H 1 0.817 0.06 . 2 . . . . 8 LEU HD2 . 15088 1 60 . 1 1 8 8 LEU CA C 13 53.799 0.5 . 1 . . . . 8 LEU CA . 15088 1 61 . 1 1 8 8 LEU CB C 13 42.762 0.5 . 1 . . . . 8 LEU CB . 15088 1 62 . 1 1 8 8 LEU N N 15 119.119 0.2 . 1 . . . . 8 LEU N . 15088 1 63 . 1 1 9 9 GLN H H 1 9.078 0.03 . 1 . . . . 9 GLN H . 15088 1 64 . 1 1 9 9 GLN HA H 1 4.105 0.06 . 1 . . . . 9 GLN HA . 15088 1 65 . 1 1 9 9 GLN HB2 H 1 1.869 0.06 . 2 . . . . 9 GLN HB2 . 15088 1 66 . 1 1 9 9 GLN HB3 H 1 1.869 0.06 . 2 . . . . 9 GLN HB3 . 15088 1 67 . 1 1 9 9 GLN HG2 H 1 2.196 0.06 . 2 . . . . 9 GLN HG2 . 15088 1 68 . 1 1 9 9 GLN HG3 H 1 2.196 0.06 . 2 . . . . 9 GLN HG3 . 15088 1 69 . 1 1 9 9 GLN CA C 13 55.604 0.5 . 1 . . . . 9 GLN CA . 15088 1 70 . 1 1 9 9 GLN CB C 13 26.867 0.5 . 1 . . . . 9 GLN CB . 15088 1 71 . 1 1 9 9 GLN N N 15 124.351 0.2 . 1 . . . . 9 GLN N . 15088 1 72 . 1 1 10 10 ARG H H 1 6.912 0.03 . 1 . . . . 10 ARG H . 15088 1 73 . 1 1 10 10 ARG HA H 1 4.536 0.06 . 1 . . . . 10 ARG HA . 15088 1 74 . 1 1 10 10 ARG HB2 H 1 1.626 0.06 . 2 . . . . 10 ARG HB2 . 15088 1 75 . 1 1 10 10 ARG HB3 H 1 1.522 0.06 . 2 . . . . 10 ARG HB3 . 15088 1 76 . 1 1 10 10 ARG HD2 H 1 2.975 0.06 . 2 . . . . 10 ARG HD2 . 15088 1 77 . 1 1 10 10 ARG HD3 H 1 2.975 0.06 . 2 . . . . 10 ARG HD3 . 15088 1 78 . 1 1 10 10 ARG HG2 H 1 1.149 0.06 . 2 . . . . 10 ARG HG2 . 15088 1 79 . 1 1 10 10 ARG HG3 H 1 1.149 0.06 . 2 . . . . 10 ARG HG3 . 15088 1 80 . 1 1 10 10 ARG CA C 13 51.817 0.5 . 1 . . . . 10 ARG CA . 15088 1 81 . 1 1 10 10 ARG CB C 13 34.485 0.5 . 1 . . . . 10 ARG CB . 15088 1 82 . 1 1 10 10 ARG CD C 13 41.565 0.5 . 1 . . . . 10 ARG CD . 15088 1 83 . 1 1 10 10 ARG N N 15 125.940 0.2 . 1 . . . . 10 ARG N . 15088 1 84 . 1 1 11 11 ASP H H 1 8.544 0.03 . 1 . . . . 11 ASP H . 15088 1 85 . 1 1 11 11 ASP HA H 1 4.633 0.06 . 1 . . . . 11 ASP HA . 15088 1 86 . 1 1 11 11 ASP HB2 H 1 2.346 0.06 . 2 . . . . 11 ASP HB2 . 15088 1 87 . 1 1 11 11 ASP HB3 H 1 2.591 0.06 . 2 . . . . 11 ASP HB3 . 15088 1 88 . 1 1 11 11 ASP CA C 13 52.853 0.5 . 1 . . . . 11 ASP CA . 15088 1 89 . 1 1 11 11 ASP CB C 13 39.641 0.5 . 1 . . . . 11 ASP CB . 15088 1 90 . 1 1 11 11 ASP N N 15 121.026 0.2 . 1 . . . . 11 ASP N . 15088 1 91 . 1 1 12 12 ILE H H 1 6.828 0.03 . 1 . . . . 12 ILE H . 15088 1 92 . 1 1 12 12 ILE HA H 1 3.890 0.06 . 1 . . . . 12 ILE HA . 15088 1 93 . 1 1 12 12 ILE HB H 1 0.748 0.06 . 1 . . . . 12 ILE HB . 15088 1 94 . 1 1 12 12 ILE HD11 H 1 0.223 0.06 . 1 . . . . 12 ILE HD1 . 15088 1 95 . 1 1 12 12 ILE HD12 H 1 0.223 0.06 . 1 . . . . 12 ILE HD1 . 15088 1 96 . 1 1 12 12 ILE HD13 H 1 0.223 0.06 . 1 . . . . 12 ILE HD1 . 15088 1 97 . 1 1 12 12 ILE HG12 H 1 0.944 0.06 . 2 . . . . 12 ILE HG12 . 15088 1 98 . 1 1 12 12 ILE HG13 H 1 0.944 0.06 . 2 . . . . 12 ILE HG13 . 15088 1 99 . 1 1 12 12 ILE HG21 H 1 0.153 0.06 . 1 . . . . 12 ILE HG2 . 15088 1 100 . 1 1 12 12 ILE HG22 H 1 0.153 0.06 . 1 . . . . 12 ILE HG2 . 15088 1 101 . 1 1 12 12 ILE HG23 H 1 0.153 0.06 . 1 . . . . 12 ILE HG2 . 15088 1 102 . 1 1 12 12 ILE CA C 13 60.042 0.5 . 1 . . . . 12 ILE CA . 15088 1 103 . 1 1 12 12 ILE CB C 13 40.957 0.5 . 1 . . . . 12 ILE CB . 15088 1 104 . 1 1 12 12 ILE CD1 C 13 12.675 0.5 . 1 . . . . 12 ILE CD1 . 15088 1 105 . 1 1 12 12 ILE CG1 C 13 27.260 0.5 . 1 . . . . 12 ILE CG1 . 15088 1 106 . 1 1 12 12 ILE CG2 C 13 16.057 0.5 . 1 . . . . 12 ILE CG2 . 15088 1 107 . 1 1 12 12 ILE N N 15 120.620 0.2 . 1 . . . . 12 ILE N . 15088 1 108 . 1 1 13 13 THR H H 1 7.910 0.03 . 1 . . . . 13 THR H . 15088 1 109 . 1 1 13 13 THR HA H 1 4.330 0.06 . 1 . . . . 13 THR HA . 15088 1 110 . 1 1 13 13 THR HB H 1 3.828 0.06 . 1 . . . . 13 THR HB . 15088 1 111 . 1 1 13 13 THR HG21 H 1 0.967 0.06 . 1 . . . . 13 THR HG2 . 15088 1 112 . 1 1 13 13 THR HG22 H 1 0.967 0.06 . 1 . . . . 13 THR HG2 . 15088 1 113 . 1 1 13 13 THR HG23 H 1 0.967 0.06 . 1 . . . . 13 THR HG2 . 15088 1 114 . 1 1 13 13 THR CB C 13 70.524 0.5 . 1 . . . . 13 THR CB . 15088 1 115 . 1 1 13 13 THR N N 15 118.106 0.2 . 1 . . . . 13 THR N . 15088 1 116 . 1 1 14 14 PRO HA H 1 4.884 0.06 . 1 . . . . 14 PRO HA . 15088 1 117 . 1 1 14 14 PRO HB2 H 1 1.542 0.06 . 2 . . . . 14 PRO HB2 . 15088 1 118 . 1 1 14 14 PRO HD2 H 1 3.230 0.06 . 2 . . . . 14 PRO HD2 . 15088 1 119 . 1 1 14 14 PRO HD3 H 1 3.498 0.06 . 2 . . . . 14 PRO HD3 . 15088 1 120 . 1 1 14 14 PRO HG2 H 1 1.206 0.06 . 2 . . . . 14 PRO HG2 . 15088 1 121 . 1 1 14 14 PRO HG3 H 1 1.206 0.06 . 2 . . . . 14 PRO HG3 . 15088 1 122 . 1 1 14 14 PRO CA C 13 61.777 0.5 . 1 . . . . 14 PRO CA . 15088 1 123 . 1 1 14 14 PRO CB C 13 33.621 0.5 . 1 . . . . 14 PRO CB . 15088 1 124 . 1 1 14 14 PRO CD C 13 49.030 0.5 . 1 . . . . 14 PRO CD . 15088 1 125 . 1 1 15 15 ARG H H 1 8.312 0.03 . 1 . . . . 15 ARG H . 15088 1 126 . 1 1 15 15 ARG HA H 1 5.484 0.06 . 1 . . . . 15 ARG HA . 15088 1 127 . 1 1 15 15 ARG HB2 H 1 1.748 0.06 . 2 . . . . 15 ARG HB2 . 15088 1 128 . 1 1 15 15 ARG HB3 H 1 1.748 0.06 . 2 . . . . 15 ARG HB3 . 15088 1 129 . 1 1 15 15 ARG HD2 H 1 2.907 0.06 . 2 . . . . 15 ARG HD2 . 15088 1 130 . 1 1 15 15 ARG HD3 H 1 2.907 0.06 . 2 . . . . 15 ARG HD3 . 15088 1 131 . 1 1 15 15 ARG CA C 13 54.493 0.5 . 1 . . . . 15 ARG CA . 15088 1 132 . 1 1 15 15 ARG CB C 13 33.621 0.5 . 1 . . . . 15 ARG CB . 15088 1 133 . 1 1 15 15 ARG N N 15 111.571 0.2 . 1 . . . . 15 ARG N . 15088 1 134 . 1 1 16 16 LEU H H 1 9.729 0.03 . 1 . . . . 16 LEU H . 15088 1 135 . 1 1 16 16 LEU HA H 1 5.329 0.06 . 1 . . . . 16 LEU HA . 15088 1 136 . 1 1 16 16 LEU HB2 H 1 1.769 0.06 . 2 . . . . 16 LEU HB2 . 15088 1 137 . 1 1 16 16 LEU HB3 H 1 1.467 0.06 . 2 . . . . 16 LEU HB3 . 15088 1 138 . 1 1 16 16 LEU HD11 H 1 0.433 0.06 . 2 . . . . 16 LEU HD1 . 15088 1 139 . 1 1 16 16 LEU HD12 H 1 0.433 0.06 . 2 . . . . 16 LEU HD1 . 15088 1 140 . 1 1 16 16 LEU HD13 H 1 0.433 0.06 . 2 . . . . 16 LEU HD1 . 15088 1 141 . 1 1 16 16 LEU HD21 H 1 0.728 0.06 . 2 . . . . 16 LEU HD2 . 15088 1 142 . 1 1 16 16 LEU HD22 H 1 0.728 0.06 . 2 . . . . 16 LEU HD2 . 15088 1 143 . 1 1 16 16 LEU HD23 H 1 0.728 0.06 . 2 . . . . 16 LEU HD2 . 15088 1 144 . 1 1 16 16 LEU CA C 13 53.650 0.5 . 1 . . . . 16 LEU CA . 15088 1 145 . 1 1 16 16 LEU CB C 13 44.521 0.5 . 1 . . . . 16 LEU CB . 15088 1 146 . 1 1 16 16 LEU CD1 C 13 24.869 0.5 . 2 . . . . 16 LEU CD1 . 15088 1 147 . 1 1 16 16 LEU CD2 C 13 24.316 0.5 . 2 . . . . 16 LEU CD2 . 15088 1 148 . 1 1 16 16 LEU N N 15 125.998 0.2 . 1 . . . . 16 LEU N . 15088 1 149 . 1 1 17 17 GLY H H 1 9.504 0.03 . 1 . . . . 17 GLY H . 15088 1 150 . 1 1 17 17 GLY HA2 H 1 5.346 0.06 . 2 . . . . 17 GLY HA2 . 15088 1 151 . 1 1 17 17 GLY HA3 H 1 4.211 0.06 . 2 . . . . 17 GLY HA3 . 15088 1 152 . 1 1 17 17 GLY CA C 13 43.759 0.5 . 1 . . . . 17 GLY CA . 15088 1 153 . 1 1 17 17 GLY N N 15 114.627 0.2 . 1 . . . . 17 GLY N . 15088 1 154 . 1 1 18 18 ALA H H 1 7.733 0.03 . 1 . . . . 18 ALA H . 15088 1 155 . 1 1 18 18 ALA HA H 1 5.244 0.06 . 1 . . . . 18 ALA HA . 15088 1 156 . 1 1 18 18 ALA HB1 H 1 1.517 0.06 . 1 . . . . 18 ALA HB . 15088 1 157 . 1 1 18 18 ALA HB2 H 1 1.517 0.06 . 1 . . . . 18 ALA HB . 15088 1 158 . 1 1 18 18 ALA HB3 H 1 1.517 0.06 . 1 . . . . 18 ALA HB . 15088 1 159 . 1 1 18 18 ALA CA C 13 51.532 0.5 . 1 . . . . 18 ALA CA . 15088 1 160 . 1 1 18 18 ALA CB C 13 22.204 0.5 . 1 . . . . 18 ALA CB . 15088 1 161 . 1 1 18 18 ALA N N 15 119.712 0.2 . 1 . . . . 18 ALA N . 15088 1 162 . 1 1 19 19 ARG H H 1 8.363 0.03 . 1 . . . . 19 ARG H . 15088 1 163 . 1 1 19 19 ARG HA H 1 4.632 0.06 . 1 . . . . 19 ARG HA . 15088 1 164 . 1 1 19 19 ARG HB2 H 1 1.888 0.06 . 2 . . . . 19 ARG HB2 . 15088 1 165 . 1 1 19 19 ARG HB3 H 1 1.888 0.06 . 2 . . . . 19 ARG HB3 . 15088 1 166 . 1 1 19 19 ARG CA C 13 54.915 0.5 . 1 . . . . 19 ARG CA . 15088 1 167 . 1 1 19 19 ARG CB C 13 31.971 0.5 . 1 . . . . 19 ARG CB . 15088 1 168 . 1 1 19 19 ARG N N 15 122.423 0.2 . 1 . . . . 19 ARG N . 15088 1 169 . 1 1 20 20 LEU H H 1 9.540 0.03 . 1 . . . . 20 LEU H . 15088 1 170 . 1 1 20 20 LEU HA H 1 4.703 0.06 . 1 . . . . 20 LEU HA . 15088 1 171 . 1 1 20 20 LEU HB2 H 1 1.216 0.06 . 2 . . . . 20 LEU HB2 . 15088 1 172 . 1 1 20 20 LEU HB3 H 1 1.739 0.06 . 2 . . . . 20 LEU HB3 . 15088 1 173 . 1 1 20 20 LEU HD11 H 1 0.928 0.06 . 2 . . . . 20 LEU HD1 . 15088 1 174 . 1 1 20 20 LEU HD12 H 1 0.928 0.06 . 2 . . . . 20 LEU HD1 . 15088 1 175 . 1 1 20 20 LEU HD13 H 1 0.928 0.06 . 2 . . . . 20 LEU HD1 . 15088 1 176 . 1 1 20 20 LEU HD21 H 1 0.702 0.06 . 2 . . . . 20 LEU HD2 . 15088 1 177 . 1 1 20 20 LEU HD22 H 1 0.702 0.06 . 2 . . . . 20 LEU HD2 . 15088 1 178 . 1 1 20 20 LEU HD23 H 1 0.702 0.06 . 2 . . . . 20 LEU HD2 . 15088 1 179 . 1 1 20 20 LEU CA C 13 54.103 0.5 . 1 . . . . 20 LEU CA . 15088 1 180 . 1 1 20 20 LEU CB C 13 42.688 0.5 . 1 . . . . 20 LEU CB . 15088 1 181 . 1 1 20 20 LEU CD1 C 13 23.911 0.5 . 2 . . . . 20 LEU CD1 . 15088 1 182 . 1 1 20 20 LEU CD2 C 13 27.128 0.5 . 2 . . . . 20 LEU CD2 . 15088 1 183 . 1 1 20 20 LEU N N 15 130.686 0.2 . 1 . . . . 20 LEU N . 15088 1 184 . 1 1 21 21 VAL H H 1 8.352 0.03 . 1 . . . . 21 VAL H . 15088 1 185 . 1 1 21 21 VAL HA H 1 4.346 0.06 . 1 . . . . 21 VAL HA . 15088 1 186 . 1 1 21 21 VAL HB H 1 1.928 0.06 . 1 . . . . 21 VAL HB . 15088 1 187 . 1 1 21 21 VAL HG11 H 1 1.050 0.06 . 2 . . . . 21 VAL HG1 . 15088 1 188 . 1 1 21 21 VAL HG12 H 1 1.050 0.06 . 2 . . . . 21 VAL HG1 . 15088 1 189 . 1 1 21 21 VAL HG13 H 1 1.050 0.06 . 2 . . . . 21 VAL HG1 . 15088 1 190 . 1 1 21 21 VAL HG21 H 1 0.886 0.06 . 2 . . . . 21 VAL HG2 . 15088 1 191 . 1 1 21 21 VAL HG22 H 1 0.886 0.06 . 2 . . . . 21 VAL HG2 . 15088 1 192 . 1 1 21 21 VAL HG23 H 1 0.886 0.06 . 2 . . . . 21 VAL HG2 . 15088 1 193 . 1 1 21 21 VAL CA C 13 61.817 0.5 . 1 . . . . 21 VAL CA . 15088 1 194 . 1 1 21 21 VAL CB C 13 33.976 0.5 . 1 . . . . 21 VAL CB . 15088 1 195 . 1 1 21 21 VAL CG1 C 13 22.241 0.5 . 2 . . . . 21 VAL CG1 . 15088 1 196 . 1 1 21 21 VAL CG2 C 13 20.420 0.5 . 2 . . . . 21 VAL CG2 . 15088 1 197 . 1 1 21 21 VAL N N 15 120.930 0.2 . 1 . . . . 21 VAL N . 15088 1 198 . 1 1 22 22 GLN H H 1 8.319 0.03 . 1 . . . . 22 GLN H . 15088 1 199 . 1 1 22 22 GLN HA H 1 4.646 0.06 . 1 . . . . 22 GLN HA . 15088 1 200 . 1 1 22 22 GLN HB2 H 1 1.757 0.06 . 2 . . . . 22 GLN HB2 . 15088 1 201 . 1 1 22 22 GLN HB3 H 1 1.757 0.06 . 2 . . . . 22 GLN HB3 . 15088 1 202 . 1 1 22 22 GLN HG2 H 1 2.019 0.06 . 2 . . . . 22 GLN HG2 . 15088 1 203 . 1 1 22 22 GLN HG3 H 1 2.019 0.06 . 2 . . . . 22 GLN HG3 . 15088 1 204 . 1 1 22 22 GLN CA C 13 54.818 0.5 . 1 . . . . 22 GLN CA . 15088 1 205 . 1 1 22 22 GLN CB C 13 29.251 0.5 . 1 . . . . 22 GLN CB . 15088 1 206 . 1 1 22 22 GLN N N 15 127.936 0.2 . 1 . . . . 22 GLN N . 15088 1 207 . 1 1 23 23 GLU H H 1 8.667 0.03 . 1 . . . . 23 GLU H . 15088 1 208 . 1 1 23 23 GLU HA H 1 4.370 0.06 . 1 . . . . 23 GLU HA . 15088 1 209 . 1 1 23 23 GLU HB2 H 1 1.940 0.06 . 2 . . . . 23 GLU HB2 . 15088 1 210 . 1 1 23 23 GLU HB3 H 1 1.840 0.06 . 2 . . . . 23 GLU HB3 . 15088 1 211 . 1 1 23 23 GLU CA C 13 54.495 0.5 . 1 . . . . 23 GLU CA . 15088 1 212 . 1 1 23 23 GLU CB C 13 30.618 0.5 . 1 . . . . 23 GLU CB . 15088 1 213 . 1 1 23 23 GLU N N 15 129.097 0.2 . 1 . . . . 23 GLU N . 15088 1 214 . 1 1 24 24 GLY H H 1 8.949 0.03 . 1 . . . . 24 GLY H . 15088 1 215 . 1 1 24 24 GLY HA2 H 1 3.879 0.06 . 2 . . . . 24 GLY HA2 . 15088 1 216 . 1 1 24 24 GLY HA3 H 1 3.543 0.06 . 2 . . . . 24 GLY HA3 . 15088 1 217 . 1 1 24 24 GLY CA C 13 46.645 0.5 . 1 . . . . 24 GLY CA . 15088 1 218 . 1 1 24 24 GLY N N 15 117.894 0.2 . 1 . . . . 24 GLY N . 15088 1 219 . 1 1 25 25 ASN H H 1 8.747 0.03 . 1 . . . . 25 ASN H . 15088 1 220 . 1 1 25 25 ASN HA H 1 4.700 0.06 . 1 . . . . 25 ASN HA . 15088 1 221 . 1 1 25 25 ASN HB2 H 1 2.603 0.06 . 2 . . . . 25 ASN HB2 . 15088 1 222 . 1 1 25 25 ASN HB3 H 1 2.603 0.06 . 2 . . . . 25 ASN HB3 . 15088 1 223 . 1 1 25 25 ASN CA C 13 52.331 0.5 . 1 . . . . 25 ASN CA . 15088 1 224 . 1 1 25 25 ASN CB C 13 37.827 0.5 . 1 . . . . 25 ASN CB . 15088 1 225 . 1 1 25 25 ASN N N 15 124.981 0.2 . 1 . . . . 25 ASN N . 15088 1 226 . 1 1 26 26 GLN H H 1 7.811 0.03 . 1 . . . . 26 GLN H . 15088 1 227 . 1 1 26 26 GLN HA H 1 4.498 0.06 . 1 . . . . 26 GLN HA . 15088 1 228 . 1 1 26 26 GLN HB2 H 1 1.927 0.06 . 2 . . . . 26 GLN HB2 . 15088 1 229 . 1 1 26 26 GLN HB3 H 1 1.810 0.06 . 2 . . . . 26 GLN HB3 . 15088 1 230 . 1 1 26 26 GLN HG2 H 1 2.206 0.06 . 2 . . . . 26 GLN HG2 . 15088 1 231 . 1 1 26 26 GLN HG3 H 1 2.127 0.06 . 2 . . . . 26 GLN HG3 . 15088 1 232 . 1 1 26 26 GLN CA C 13 53.969 0.5 . 1 . . . . 26 GLN CA . 15088 1 233 . 1 1 26 26 GLN CB C 13 31.577 0.5 . 1 . . . . 26 GLN CB . 15088 1 234 . 1 1 26 26 GLN CG C 13 33.790 0.5 . 1 . . . . 26 GLN CG . 15088 1 235 . 1 1 26 26 GLN N N 15 117.634 0.2 . 1 . . . . 26 GLN N . 15088 1 236 . 1 1 27 27 LEU H H 1 9.306 0.03 . 1 . . . . 27 LEU H . 15088 1 237 . 1 1 27 27 LEU HA H 1 4.973 0.06 . 1 . . . . 27 LEU HA . 15088 1 238 . 1 1 27 27 LEU HB2 H 1 1.062 0.06 . 2 . . . . 27 LEU HB2 . 15088 1 239 . 1 1 27 27 LEU HB3 H 1 1.409 0.06 . 2 . . . . 27 LEU HB3 . 15088 1 240 . 1 1 27 27 LEU HD11 H 1 0.576 0.06 . 2 . . . . 27 LEU HD1 . 15088 1 241 . 1 1 27 27 LEU HD12 H 1 0.576 0.06 . 2 . . . . 27 LEU HD1 . 15088 1 242 . 1 1 27 27 LEU HD13 H 1 0.576 0.06 . 2 . . . . 27 LEU HD1 . 15088 1 243 . 1 1 27 27 LEU HD21 H 1 0.576 0.06 . 2 . . . . 27 LEU HD2 . 15088 1 244 . 1 1 27 27 LEU HD22 H 1 0.576 0.06 . 2 . . . . 27 LEU HD2 . 15088 1 245 . 1 1 27 27 LEU HD23 H 1 0.576 0.06 . 2 . . . . 27 LEU HD2 . 15088 1 246 . 1 1 27 27 LEU CA C 13 52.106 0.5 . 1 . . . . 27 LEU CA . 15088 1 247 . 1 1 27 27 LEU CB C 13 44.645 0.5 . 1 . . . . 27 LEU CB . 15088 1 248 . 1 1 27 27 LEU CD1 C 13 23.869 0.5 . 2 . . . . 27 LEU CD1 . 15088 1 249 . 1 1 27 27 LEU CD2 C 13 23.869 0.5 . 2 . . . . 27 LEU CD2 . 15088 1 250 . 1 1 27 27 LEU N N 15 121.896 0.2 . 1 . . . . 27 LEU N . 15088 1 251 . 1 1 28 28 HIS H H 1 8.998 0.03 . 1 . . . . 28 HIS H . 15088 1 252 . 1 1 28 28 HIS HA H 1 4.860 0.06 . 1 . . . . 28 HIS HA . 15088 1 253 . 1 1 28 28 HIS HB2 H 1 2.925 0.06 . 2 . . . . 28 HIS HB2 . 15088 1 254 . 1 1 28 28 HIS HB3 H 1 2.883 0.06 . 2 . . . . 28 HIS HB3 . 15088 1 255 . 1 1 28 28 HIS CA C 13 53.461 0.5 . 1 . . . . 28 HIS CA . 15088 1 256 . 1 1 28 28 HIS CB C 13 30.884 0.5 . 1 . . . . 28 HIS CB . 15088 1 257 . 1 1 28 28 HIS N N 15 119.141 0.2 . 1 . . . . 28 HIS N . 15088 1 258 . 1 1 29 29 TYR H H 1 8.811 0.03 . 1 . . . . 29 TYR H . 15088 1 259 . 1 1 29 29 TYR HA H 1 4.571 0.06 . 1 . . . . 29 TYR HA . 15088 1 260 . 1 1 29 29 TYR HB2 H 1 2.690 0.06 . 2 . . . . 29 TYR HB2 . 15088 1 261 . 1 1 29 29 TYR HB3 H 1 2.807 0.06 . 2 . . . . 29 TYR HB3 . 15088 1 262 . 1 1 29 29 TYR HD1 H 1 6.876 0.06 . 3 . . . . 29 TYR HD1 . 15088 1 263 . 1 1 29 29 TYR HD2 H 1 6.876 0.06 . 3 . . . . 29 TYR HD2 . 15088 1 264 . 1 1 29 29 TYR HE1 H 1 6.460 0.06 . 3 . . . . 29 TYR HE1 . 15088 1 265 . 1 1 29 29 TYR HE2 H 1 6.460 0.06 . 3 . . . . 29 TYR HE2 . 15088 1 266 . 1 1 29 29 TYR CA C 13 56.308 0.5 . 1 . . . . 29 TYR CA . 15088 1 267 . 1 1 29 29 TYR CB C 13 38.935 0.5 . 1 . . . . 29 TYR CB . 15088 1 268 . 1 1 29 29 TYR CD1 C 13 132.984 0.5 . 3 . . . . 29 TYR CD1 . 15088 1 269 . 1 1 29 29 TYR CD2 C 13 132.984 0.5 . 3 . . . . 29 TYR CD2 . 15088 1 270 . 1 1 29 29 TYR CE1 C 13 117.514 0.5 . 3 . . . . 29 TYR CE1 . 15088 1 271 . 1 1 29 29 TYR CE2 C 13 117.514 0.5 . 3 . . . . 29 TYR CE2 . 15088 1 272 . 1 1 29 29 TYR N N 15 124.729 0.2 . 1 . . . . 29 TYR N . 15088 1 273 . 1 1 30 30 LEU H H 1 8.677 0.03 . 1 . . . . 30 LEU H . 15088 1 274 . 1 1 30 30 LEU HA H 1 4.275 0.06 . 1 . . . . 30 LEU HA . 15088 1 275 . 1 1 30 30 LEU HB2 H 1 1.142 0.06 . 2 . . . . 30 LEU HB2 . 15088 1 276 . 1 1 30 30 LEU HB3 H 1 1.389 0.06 . 2 . . . . 30 LEU HB3 . 15088 1 277 . 1 1 30 30 LEU HD11 H 1 0.727 0.06 . 2 . . . . 30 LEU HD1 . 15088 1 278 . 1 1 30 30 LEU HD12 H 1 0.727 0.06 . 2 . . . . 30 LEU HD1 . 15088 1 279 . 1 1 30 30 LEU HD13 H 1 0.727 0.06 . 2 . . . . 30 LEU HD1 . 15088 1 280 . 1 1 30 30 LEU HD21 H 1 0.727 0.06 . 2 . . . . 30 LEU HD2 . 15088 1 281 . 1 1 30 30 LEU HD22 H 1 0.727 0.06 . 2 . . . . 30 LEU HD2 . 15088 1 282 . 1 1 30 30 LEU HD23 H 1 0.727 0.06 . 2 . . . . 30 LEU HD2 . 15088 1 283 . 1 1 30 30 LEU CA C 13 52.463 0.5 . 1 . . . . 30 LEU CA . 15088 1 284 . 1 1 30 30 LEU CB C 13 42.668 0.5 . 1 . . . . 30 LEU CB . 15088 1 285 . 1 1 30 30 LEU CD1 C 13 23.839 0.5 . 2 . . . . 30 LEU CD1 . 15088 1 286 . 1 1 30 30 LEU CD2 C 13 23.839 0.5 . 2 . . . . 30 LEU CD2 . 15088 1 287 . 1 1 30 30 LEU N N 15 131.620 0.2 . 1 . . . . 30 LEU N . 15088 1 288 . 1 1 31 31 ALA H H 1 8.503 0.03 . 1 . . . . 31 ALA H . 15088 1 289 . 1 1 31 31 ALA HA H 1 3.606 0.06 . 1 . . . . 31 ALA HA . 15088 1 290 . 1 1 31 31 ALA HB1 H 1 1.295 0.06 . 1 . . . . 31 ALA HB . 15088 1 291 . 1 1 31 31 ALA HB2 H 1 1.295 0.06 . 1 . . . . 31 ALA HB . 15088 1 292 . 1 1 31 31 ALA HB3 H 1 1.295 0.06 . 1 . . . . 31 ALA HB . 15088 1 293 . 1 1 31 31 ALA CA C 13 54.068 0.5 . 1 . . . . 31 ALA CA . 15088 1 294 . 1 1 31 31 ALA CB C 13 17.576 0.5 . 1 . . . . 31 ALA CB . 15088 1 295 . 1 1 31 31 ALA N N 15 128.548 0.2 . 1 . . . . 31 ALA N . 15088 1 296 . 1 1 32 32 ASP H H 1 8.102 0.03 . 1 . . . . 32 ASP H . 15088 1 297 . 1 1 32 32 ASP HA H 1 4.531 0.06 . 1 . . . . 32 ASP HA . 15088 1 298 . 1 1 32 32 ASP HB2 H 1 2.487 0.06 . 2 . . . . 32 ASP HB2 . 15088 1 299 . 1 1 32 32 ASP HB3 H 1 2.660 0.06 . 2 . . . . 32 ASP HB3 . 15088 1 300 . 1 1 32 32 ASP CA C 13 53.266 0.5 . 1 . . . . 32 ASP CA . 15088 1 301 . 1 1 32 32 ASP CB C 13 38.572 0.5 . 1 . . . . 32 ASP CB . 15088 1 302 . 1 1 32 32 ASP N N 15 111.569 0.2 . 1 . . . . 32 ASP N . 15088 1 303 . 1 1 33 33 ARG H H 1 7.346 0.03 . 1 . . . . 33 ARG H . 15088 1 304 . 1 1 33 33 ARG HA H 1 2.688 0.06 . 1 . . . . 33 ARG HA . 15088 1 305 . 1 1 33 33 ARG HB2 H 1 1.233 0.06 . 2 . . . . 33 ARG HB2 . 15088 1 306 . 1 1 33 33 ARG HB3 H 1 1.046 0.06 . 2 . . . . 33 ARG HB3 . 15088 1 307 . 1 1 33 33 ARG HG2 H 1 0.804 0.06 . 2 . . . . 33 ARG HG2 . 15088 1 308 . 1 1 33 33 ARG HG3 H 1 0.804 0.06 . 2 . . . . 33 ARG HG3 . 15088 1 309 . 1 1 33 33 ARG CA C 13 51.257 0.5 . 1 . . . . 33 ARG CA . 15088 1 310 . 1 1 33 33 ARG CB C 13 28.426 0.5 . 1 . . . . 33 ARG CB . 15088 1 311 . 1 1 33 33 ARG N N 15 122.483 0.2 . 1 . . . . 33 ARG N . 15088 1 312 . 1 1 34 34 ALA H H 1 6.661 0.03 . 1 . . . . 34 ALA H . 15088 1 313 . 1 1 34 34 ALA HA H 1 5.275 0.06 . 1 . . . . 34 ALA HA . 15088 1 314 . 1 1 34 34 ALA HB1 H 1 1.456 0.06 . 1 . . . . 34 ALA HB . 15088 1 315 . 1 1 34 34 ALA HB2 H 1 1.456 0.06 . 1 . . . . 34 ALA HB . 15088 1 316 . 1 1 34 34 ALA HB3 H 1 1.456 0.06 . 1 . . . . 34 ALA HB . 15088 1 317 . 1 1 34 34 ALA CA C 13 50.673 0.5 . 1 . . . . 34 ALA CA . 15088 1 318 . 1 1 34 34 ALA CB C 13 23.479 0.5 . 1 . . . . 34 ALA CB . 15088 1 319 . 1 1 34 34 ALA N N 15 120.854 0.2 . 1 . . . . 34 ALA N . 15088 1 320 . 1 1 35 35 SER H H 1 9.494 0.03 . 1 . . . . 35 SER H . 15088 1 321 . 1 1 35 35 SER HA H 1 4.962 0.06 . 1 . . . . 35 SER HA . 15088 1 322 . 1 1 35 35 SER HB2 H 1 3.899 0.06 . 2 . . . . 35 SER HB2 . 15088 1 323 . 1 1 35 35 SER HB3 H 1 4.079 0.06 . 2 . . . . 35 SER HB3 . 15088 1 324 . 1 1 35 35 SER CA C 13 57.438 0.5 . 1 . . . . 35 SER CA . 15088 1 325 . 1 1 35 35 SER CB C 13 66.260 0.5 . 1 . . . . 35 SER CB . 15088 1 326 . 1 1 35 35 SER N N 15 114.094 0.2 . 1 . . . . 35 SER N . 15088 1 327 . 1 1 36 36 ILE H H 1 8.989 0.03 . 1 . . . . 36 ILE H . 15088 1 328 . 1 1 36 36 ILE HA H 1 5.199 0.06 . 1 . . . . 36 ILE HA . 15088 1 329 . 1 1 36 36 ILE HB H 1 1.831 0.06 . 1 . . . . 36 ILE HB . 15088 1 330 . 1 1 36 36 ILE HD11 H 1 0.993 0.06 . 1 . . . . 36 ILE HD1 . 15088 1 331 . 1 1 36 36 ILE HD12 H 1 0.993 0.06 . 1 . . . . 36 ILE HD1 . 15088 1 332 . 1 1 36 36 ILE HD13 H 1 0.993 0.06 . 1 . . . . 36 ILE HD1 . 15088 1 333 . 1 1 36 36 ILE HG12 H 1 1.143 0.06 . 2 . . . . 36 ILE HG12 . 15088 1 334 . 1 1 36 36 ILE HG13 H 1 1.143 0.06 . 2 . . . . 36 ILE HG13 . 15088 1 335 . 1 1 36 36 ILE HG21 H 1 0.978 0.06 . 1 . . . . 36 ILE HG2 . 15088 1 336 . 1 1 36 36 ILE HG22 H 1 0.978 0.06 . 1 . . . . 36 ILE HG2 . 15088 1 337 . 1 1 36 36 ILE HG23 H 1 0.978 0.06 . 1 . . . . 36 ILE HG2 . 15088 1 338 . 1 1 36 36 ILE CA C 13 59.982 0.5 . 1 . . . . 36 ILE CA . 15088 1 339 . 1 1 36 36 ILE CB C 13 39.235 0.5 . 1 . . . . 36 ILE CB . 15088 1 340 . 1 1 36 36 ILE CD1 C 13 12.588 0.5 . 1 . . . . 36 ILE CD1 . 15088 1 341 . 1 1 36 36 ILE CG1 C 13 28.820 0.5 . 1 . . . . 36 ILE CG1 . 15088 1 342 . 1 1 36 36 ILE CG2 C 13 16.738 0.5 . 1 . . . . 36 ILE CG2 . 15088 1 343 . 1 1 36 36 ILE N N 15 125.993 0.2 . 1 . . . . 36 ILE N . 15088 1 344 . 1 1 37 37 THR H H 1 9.107 0.03 . 1 . . . . 37 THR H . 15088 1 345 . 1 1 37 37 THR HA H 1 4.478 0.06 . 1 . . . . 37 THR HA . 15088 1 346 . 1 1 37 37 THR HB H 1 3.821 0.06 . 1 . . . . 37 THR HB . 15088 1 347 . 1 1 37 37 THR HG21 H 1 1.197 0.06 . 1 . . . . 37 THR HG2 . 15088 1 348 . 1 1 37 37 THR HG22 H 1 1.197 0.06 . 1 . . . . 37 THR HG2 . 15088 1 349 . 1 1 37 37 THR HG23 H 1 1.197 0.06 . 1 . . . . 37 THR HG2 . 15088 1 350 . 1 1 37 37 THR CA C 13 62.063 0.5 . 1 . . . . 37 THR CA . 15088 1 351 . 1 1 37 37 THR CB C 13 69.419 0.5 . 1 . . . . 37 THR CB . 15088 1 352 . 1 1 37 37 THR N N 15 126.763 0.2 . 1 . . . . 37 THR N . 15088 1 353 . 1 1 38 38 GLY H H 1 8.546 0.03 . 1 . . . . 38 GLY H . 15088 1 354 . 1 1 38 38 GLY HA2 H 1 3.556 0.06 . 2 . . . . 38 GLY HA2 . 15088 1 355 . 1 1 38 38 GLY HA3 H 1 3.968 0.06 . 2 . . . . 38 GLY HA3 . 15088 1 356 . 1 1 38 38 GLY CA C 13 43.487 0.5 . 1 . . . . 38 GLY CA . 15088 1 357 . 1 1 38 38 GLY N N 15 113.541 0.2 . 1 . . . . 38 GLY N . 15088 1 358 . 1 1 39 39 LYS H H 1 8.131 0.03 . 1 . . . . 39 LYS H . 15088 1 359 . 1 1 39 39 LYS HA H 1 4.511 0.06 . 1 . . . . 39 LYS HA . 15088 1 360 . 1 1 39 39 LYS HB2 H 1 1.626 0.06 . 2 . . . . 39 LYS HB2 . 15088 1 361 . 1 1 39 39 LYS HB3 H 1 1.520 0.06 . 2 . . . . 39 LYS HB3 . 15088 1 362 . 1 1 39 39 LYS HE2 H 1 2.972 0.06 . 2 . . . . 39 LYS HE2 . 15088 1 363 . 1 1 39 39 LYS HE3 H 1 2.972 0.06 . 2 . . . . 39 LYS HE3 . 15088 1 364 . 1 1 39 39 LYS HG2 H 1 1.305 0.06 . 2 . . . . 39 LYS HG2 . 15088 1 365 . 1 1 39 39 LYS HG3 H 1 1.623 0.06 . 2 . . . . 39 LYS HG3 . 15088 1 366 . 1 1 39 39 LYS CA C 13 54.562 0.5 . 1 . . . . 39 LYS CA . 15088 1 367 . 1 1 39 39 LYS CB C 13 34.646 0.5 . 1 . . . . 39 LYS CB . 15088 1 368 . 1 1 39 39 LYS CE C 13 41.570 0.5 . 1 . . . . 39 LYS CE . 15088 1 369 . 1 1 39 39 LYS CG C 13 23.823 0.5 . 1 . . . . 39 LYS CG . 15088 1 370 . 1 1 39 39 LYS N N 15 119.477 0.2 . 1 . . . . 39 LYS N . 15088 1 371 . 1 1 40 40 PHE H H 1 8.739 0.03 . 1 . . . . 40 PHE H . 15088 1 372 . 1 1 40 40 PHE HA H 1 4.482 0.06 . 1 . . . . 40 PHE HA . 15088 1 373 . 1 1 40 40 PHE HB2 H 1 3.208 0.06 . 2 . . . . 40 PHE HB2 . 15088 1 374 . 1 1 40 40 PHE HB3 H 1 2.967 0.06 . 2 . . . . 40 PHE HB3 . 15088 1 375 . 1 1 40 40 PHE HD1 H 1 7.481 0.06 . 3 . . . . 40 PHE HD1 . 15088 1 376 . 1 1 40 40 PHE HD2 H 1 7.481 0.06 . 3 . . . . 40 PHE HD2 . 15088 1 377 . 1 1 40 40 PHE HE1 H 1 7.163 0.06 . 3 . . . . 40 PHE HE1 . 15088 1 378 . 1 1 40 40 PHE HE2 H 1 7.163 0.06 . 3 . . . . 40 PHE HE2 . 15088 1 379 . 1 1 40 40 PHE HZ H 1 7.332 0.06 . 1 . . . . 40 PHE HZ . 15088 1 380 . 1 1 40 40 PHE CA C 13 58.592 0.5 . 1 . . . . 40 PHE CA . 15088 1 381 . 1 1 40 40 PHE CB C 13 39.593 0.5 . 1 . . . . 40 PHE CB . 15088 1 382 . 1 1 40 40 PHE CD1 C 13 132.175 0.5 . 3 . . . . 40 PHE CD1 . 15088 1 383 . 1 1 40 40 PHE CD2 C 13 132.175 0.5 . 3 . . . . 40 PHE CD2 . 15088 1 384 . 1 1 40 40 PHE CE1 C 13 130.675 0.5 . 3 . . . . 40 PHE CE1 . 15088 1 385 . 1 1 40 40 PHE CE2 C 13 130.675 0.5 . 3 . . . . 40 PHE CE2 . 15088 1 386 . 1 1 40 40 PHE CZ C 13 128.885 0.5 . 1 . . . . 40 PHE CZ . 15088 1 387 . 1 1 40 40 PHE N N 15 125.875 0.2 . 1 . . . . 40 PHE N . 15088 1 388 . 1 1 41 41 SER H H 1 9.825 0.03 . 1 . . . . 41 SER H . 15088 1 389 . 1 1 41 41 SER HA H 1 4.484 0.06 . 1 . . . . 41 SER HA . 15088 1 390 . 1 1 41 41 SER HB2 H 1 4.014 0.06 . 2 . . . . 41 SER HB2 . 15088 1 391 . 1 1 41 41 SER HB3 H 1 4.348 0.06 . 2 . . . . 41 SER HB3 . 15088 1 392 . 1 1 41 41 SER CA C 13 57.383 0.5 . 1 . . . . 41 SER CA . 15088 1 393 . 1 1 41 41 SER CB C 13 64.570 0.5 . 1 . . . . 41 SER CB . 15088 1 394 . 1 1 41 41 SER N N 15 120.297 0.2 . 1 . . . . 41 SER N . 15088 1 395 . 1 1 42 42 ASP H H 1 8.944 0.03 . 1 . . . . 42 ASP H . 15088 1 396 . 1 1 42 42 ASP HA H 1 4.493 0.06 . 1 . . . . 42 ASP HA . 15088 1 397 . 1 1 42 42 ASP HB2 H 1 2.664 0.06 . 2 . . . . 42 ASP HB2 . 15088 1 398 . 1 1 42 42 ASP HB3 H 1 2.655 0.06 . 2 . . . . 42 ASP HB3 . 15088 1 399 . 1 1 42 42 ASP CA C 13 57.068 0.5 . 1 . . . . 42 ASP CA . 15088 1 400 . 1 1 42 42 ASP CB C 13 39.471 0.5 . 1 . . . . 42 ASP CB . 15088 1 401 . 1 1 42 42 ASP N N 15 121.339 0.2 . 1 . . . . 42 ASP N . 15088 1 402 . 1 1 43 43 ALA H H 1 8.071 0.03 . 1 . . . . 43 ALA H . 15088 1 403 . 1 1 43 43 ALA HA H 1 4.254 0.06 . 1 . . . . 43 ALA HA . 15088 1 404 . 1 1 43 43 ALA HB1 H 1 1.381 0.06 . 1 . . . . 43 ALA HB . 15088 1 405 . 1 1 43 43 ALA HB2 H 1 1.381 0.06 . 1 . . . . 43 ALA HB . 15088 1 406 . 1 1 43 43 ALA HB3 H 1 1.381 0.06 . 1 . . . . 43 ALA HB . 15088 1 407 . 1 1 43 43 ALA CA C 13 53.245 0.5 . 1 . . . . 43 ALA CA . 15088 1 408 . 1 1 43 43 ALA CB C 13 18.716 0.5 . 1 . . . . 43 ALA CB . 15088 1 409 . 1 1 43 43 ALA N N 15 119.592 0.2 . 1 . . . . 43 ALA N . 15088 1 410 . 1 1 44 44 GLU H H 1 7.860 0.03 . 1 . . . . 44 GLU H . 15088 1 411 . 1 1 44 44 GLU HA H 1 4.164 0.06 . 1 . . . . 44 GLU HA . 15088 1 412 . 1 1 44 44 GLU HB2 H 1 2.398 0.06 . 2 . . . . 44 GLU HB2 . 15088 1 413 . 1 1 44 44 GLU HB3 H 1 2.647 0.06 . 2 . . . . 44 GLU HB3 . 15088 1 414 . 1 1 44 44 GLU CA C 13 57.748 0.5 . 1 . . . . 44 GLU CA . 15088 1 415 . 1 1 44 44 GLU CB C 13 30.832 0.5 . 1 . . . . 44 GLU CB . 15088 1 416 . 1 1 44 44 GLU N N 15 117.391 0.2 . 1 . . . . 44 GLU N . 15088 1 417 . 1 1 45 45 CYS H H 1 8.212 0.03 . 1 . . . . 45 CYS H . 15088 1 418 . 1 1 45 45 CYS HA H 1 4.010 0.06 . 1 . . . . 45 CYS HA . 15088 1 419 . 1 1 45 45 CYS HB2 H 1 2.970 0.06 . 2 . . . . 45 CYS HB2 . 15088 1 420 . 1 1 45 45 CYS HB3 H 1 3.010 0.06 . 2 . . . . 45 CYS HB3 . 15088 1 421 . 1 1 45 45 CYS CA C 13 65.262 0.5 . 1 . . . . 45 CYS CA . 15088 1 422 . 1 1 45 45 CYS CB C 13 24.356 0.5 . 1 . . . . 45 CYS CB . 15088 1 423 . 1 1 45 45 CYS N N 15 117.475 0.2 . 1 . . . . 45 CYS N . 15088 1 424 . 1 1 46 46 PRO HA H 1 4.406 0.06 . 1 . . . . 46 PRO HA . 15088 1 425 . 1 1 46 46 PRO HB2 H 1 1.987 0.06 . 2 . . . . 46 PRO HB2 . 15088 1 426 . 1 1 46 46 PRO HB3 H 1 1.987 0.06 . 2 . . . . 46 PRO HB3 . 15088 1 427 . 1 1 46 46 PRO CA C 13 64.575 0.5 . 1 . . . . 46 PRO CA . 15088 1 428 . 1 1 46 46 PRO CB C 13 30.339 0.5 . 1 . . . . 46 PRO CB . 15088 1 429 . 1 1 47 47 LYS H H 1 6.825 0.03 . 1 . . . . 47 LYS H . 15088 1 430 . 1 1 47 47 LYS HA H 1 4.032 0.06 . 1 . . . . 47 LYS HA . 15088 1 431 . 1 1 47 47 LYS HB2 H 1 2.069 0.06 . 2 . . . . 47 LYS HB2 . 15088 1 432 . 1 1 47 47 LYS HB3 H 1 1.977 0.06 . 2 . . . . 47 LYS HB3 . 15088 1 433 . 1 1 47 47 LYS HE2 H 1 3.091 0.06 . 2 . . . . 47 LYS HE2 . 15088 1 434 . 1 1 47 47 LYS HE3 H 1 3.091 0.06 . 2 . . . . 47 LYS HE3 . 15088 1 435 . 1 1 47 47 LYS HG2 H 1 1.761 0.06 . 2 . . . . 47 LYS HG2 . 15088 1 436 . 1 1 47 47 LYS HG3 H 1 1.465 0.06 . 2 . . . . 47 LYS HG3 . 15088 1 437 . 1 1 47 47 LYS CA C 13 57.897 0.5 . 1 . . . . 47 LYS CA . 15088 1 438 . 1 1 47 47 LYS CB C 13 32.303 0.5 . 1 . . . . 47 LYS CB . 15088 1 439 . 1 1 47 47 LYS CG C 13 25.100 0.5 . 1 . . . . 47 LYS CG . 15088 1 440 . 1 1 47 47 LYS N N 15 116.096 0.2 . 1 . . . . 47 LYS N . 15088 1 441 . 1 1 48 48 LEU H H 1 7.980 0.03 . 1 . . . . 48 LEU H . 15088 1 442 . 1 1 48 48 LEU HA H 1 3.252 0.06 . 1 . . . . 48 LEU HA . 15088 1 443 . 1 1 48 48 LEU HB2 H 1 1.034 0.06 . 2 . . . . 48 LEU HB2 . 15088 1 444 . 1 1 48 48 LEU HB3 H 1 1.430 0.06 . 2 . . . . 48 LEU HB3 . 15088 1 445 . 1 1 48 48 LEU HD11 H 1 -0.007 0.06 . 2 . . . . 48 LEU HD1 . 15088 1 446 . 1 1 48 48 LEU HD12 H 1 -0.007 0.06 . 2 . . . . 48 LEU HD1 . 15088 1 447 . 1 1 48 48 LEU HD13 H 1 -0.007 0.06 . 2 . . . . 48 LEU HD1 . 15088 1 448 . 1 1 48 48 LEU HD21 H 1 0.157 0.06 . 2 . . . . 48 LEU HD2 . 15088 1 449 . 1 1 48 48 LEU HD22 H 1 0.157 0.06 . 2 . . . . 48 LEU HD2 . 15088 1 450 . 1 1 48 48 LEU HD23 H 1 0.157 0.06 . 2 . . . . 48 LEU HD2 . 15088 1 451 . 1 1 48 48 LEU CA C 13 57.086 0.5 . 1 . . . . 48 LEU CA . 15088 1 452 . 1 1 48 48 LEU CB C 13 40.525 0.5 . 1 . . . . 48 LEU CB . 15088 1 453 . 1 1 48 48 LEU CD1 C 13 23.636 0.5 . 2 . . . . 48 LEU CD1 . 15088 1 454 . 1 1 48 48 LEU CD2 C 13 22.456 0.5 . 2 . . . . 48 LEU CD2 . 15088 1 455 . 1 1 48 48 LEU N N 15 122.611 0.2 . 1 . . . . 48 LEU N . 15088 1 456 . 1 1 49 49 ASP H H 1 7.219 0.03 . 1 . . . . 49 ASP H . 15088 1 457 . 1 1 49 49 ASP HA H 1 4.221 0.06 . 1 . . . . 49 ASP HA . 15088 1 458 . 1 1 49 49 ASP HB2 H 1 2.555 0.06 . 2 . . . . 49 ASP HB2 . 15088 1 459 . 1 1 49 49 ASP HB3 H 1 2.555 0.06 . 2 . . . . 49 ASP HB3 . 15088 1 460 . 1 1 49 49 ASP CA C 13 56.273 0.5 . 1 . . . . 49 ASP CA . 15088 1 461 . 1 1 49 49 ASP CB C 13 40.150 0.5 . 1 . . . . 49 ASP CB . 15088 1 462 . 1 1 49 49 ASP N N 15 115.153 0.2 . 1 . . . . 49 ASP N . 15088 1 463 . 1 1 50 50 VAL H H 1 7.057 0.03 . 1 . . . . 50 VAL H . 15088 1 464 . 1 1 50 50 VAL HA H 1 3.921 0.06 . 1 . . . . 50 VAL HA . 15088 1 465 . 1 1 50 50 VAL HB H 1 2.064 0.06 . 1 . . . . 50 VAL HB . 15088 1 466 . 1 1 50 50 VAL HG11 H 1 0.917 0.06 . 2 . . . . 50 VAL HG1 . 15088 1 467 . 1 1 50 50 VAL HG12 H 1 0.917 0.06 . 2 . . . . 50 VAL HG1 . 15088 1 468 . 1 1 50 50 VAL HG13 H 1 0.917 0.06 . 2 . . . . 50 VAL HG1 . 15088 1 469 . 1 1 50 50 VAL HG21 H 1 0.882 0.06 . 2 . . . . 50 VAL HG2 . 15088 1 470 . 1 1 50 50 VAL HG22 H 1 0.882 0.06 . 2 . . . . 50 VAL HG2 . 15088 1 471 . 1 1 50 50 VAL HG23 H 1 0.882 0.06 . 2 . . . . 50 VAL HG2 . 15088 1 472 . 1 1 50 50 VAL CA C 13 63.679 0.5 . 1 . . . . 50 VAL CA . 15088 1 473 . 1 1 50 50 VAL CB C 13 32.269 0.5 . 1 . . . . 50 VAL CB . 15088 1 474 . 1 1 50 50 VAL CG1 C 13 21.049 0.5 . 2 . . . . 50 VAL CG1 . 15088 1 475 . 1 1 50 50 VAL CG2 C 13 20.730 0.5 . 2 . . . . 50 VAL CG2 . 15088 1 476 . 1 1 50 50 VAL N N 15 115.474 0.2 . 1 . . . . 50 VAL N . 15088 1 477 . 1 1 51 51 VAL H H 1 8.071 0.03 . 1 . . . . 51 VAL H . 15088 1 478 . 1 1 51 51 VAL HA H 1 3.805 0.06 . 1 . . . . 51 VAL HA . 15088 1 479 . 1 1 51 51 VAL HB H 1 1.715 0.06 . 1 . . . . 51 VAL HB . 15088 1 480 . 1 1 51 51 VAL HG11 H 1 0.705 0.06 . 2 . . . . 51 VAL HG1 . 15088 1 481 . 1 1 51 51 VAL HG12 H 1 0.705 0.06 . 2 . . . . 51 VAL HG1 . 15088 1 482 . 1 1 51 51 VAL HG13 H 1 0.705 0.06 . 2 . . . . 51 VAL HG1 . 15088 1 483 . 1 1 51 51 VAL HG21 H 1 0.705 0.06 . 2 . . . . 51 VAL HG2 . 15088 1 484 . 1 1 51 51 VAL HG22 H 1 0.705 0.06 . 2 . . . . 51 VAL HG2 . 15088 1 485 . 1 1 51 51 VAL HG23 H 1 0.705 0.06 . 2 . . . . 51 VAL HG2 . 15088 1 486 . 1 1 51 51 VAL CA C 13 63.650 0.5 . 1 . . . . 51 VAL CA . 15088 1 487 . 1 1 51 51 VAL CB C 13 31.130 0.5 . 1 . . . . 51 VAL CB . 15088 1 488 . 1 1 51 51 VAL CG1 C 13 20.550 0.5 . 2 . . . . 51 VAL CG1 . 15088 1 489 . 1 1 51 51 VAL CG2 C 13 20.550 0.5 . 2 . . . . 51 VAL CG2 . 15088 1 490 . 1 1 51 51 VAL N N 15 116.526 0.2 . 1 . . . . 51 VAL N . 15088 1 491 . 1 1 52 52 PHE H H 1 8.203 0.03 . 1 . . . . 52 PHE H . 15088 1 492 . 1 1 52 52 PHE HA H 1 4.382 0.06 . 1 . . . . 52 PHE HA . 15088 1 493 . 1 1 52 52 PHE HB2 H 1 2.993 0.06 . 2 . . . . 52 PHE HB2 . 15088 1 494 . 1 1 52 52 PHE HB3 H 1 2.993 0.06 . 2 . . . . 52 PHE HB3 . 15088 1 495 . 1 1 52 52 PHE HD1 H 1 6.947 0.06 . 3 . . . . 52 PHE HD1 . 15088 1 496 . 1 1 52 52 PHE HD2 H 1 6.947 0.06 . 3 . . . . 52 PHE HD2 . 15088 1 497 . 1 1 52 52 PHE CA C 13 63.038 0.5 . 1 . . . . 52 PHE CA . 15088 1 498 . 1 1 52 52 PHE CB C 13 36.263 0.5 . 1 . . . . 52 PHE CB . 15088 1 499 . 1 1 52 52 PHE CD1 C 13 131.702 0.5 . 3 . . . . 52 PHE CD1 . 15088 1 500 . 1 1 52 52 PHE CD2 C 13 131.702 0.5 . 3 . . . . 52 PHE CD2 . 15088 1 501 . 1 1 52 52 PHE N N 15 121.336 0.2 . 1 . . . . 52 PHE N . 15088 1 502 . 1 1 53 53 PRO HA H 1 3.930 0.06 . 1 . . . . 53 PRO HA . 15088 1 503 . 1 1 53 53 PRO HB2 H 1 1.938 0.06 . 2 . . . . 53 PRO HB2 . 15088 1 504 . 1 1 53 53 PRO HB3 H 1 1.844 0.06 . 2 . . . . 53 PRO HB3 . 15088 1 505 . 1 1 53 53 PRO HG2 H 1 1.672 0.06 . 2 . . . . 53 PRO HG2 . 15088 1 506 . 1 1 53 53 PRO HG3 H 1 1.672 0.06 . 2 . . . . 53 PRO HG3 . 15088 1 507 . 1 1 53 53 PRO CA C 13 65.098 0.5 . 1 . . . . 53 PRO CA . 15088 1 508 . 1 1 53 53 PRO CB C 13 30.053 0.5 . 1 . . . . 53 PRO CB . 15088 1 509 . 1 1 54 54 HIS H H 1 6.741 0.03 . 1 . . . . 54 HIS H . 15088 1 510 . 1 1 54 54 HIS HA H 1 4.041 0.06 . 1 . . . . 54 HIS HA . 15088 1 511 . 1 1 54 54 HIS HB2 H 1 2.789 0.06 . 2 . . . . 54 HIS HB2 . 15088 1 512 . 1 1 54 54 HIS HB3 H 1 2.726 0.06 . 2 . . . . 54 HIS HB3 . 15088 1 513 . 1 1 54 54 HIS CA C 13 59.100 0.5 . 1 . . . . 54 HIS CA . 15088 1 514 . 1 1 54 54 HIS CB C 13 28.478 0.5 . 1 . . . . 54 HIS CB . 15088 1 515 . 1 1 54 54 HIS N N 15 116.851 0.2 . 1 . . . . 54 HIS N . 15088 1 516 . 1 1 55 55 PHE H H 1 7.902 0.03 . 1 . . . . 55 PHE H . 15088 1 517 . 1 1 55 55 PHE HA H 1 4.230 0.06 . 1 . . . . 55 PHE HA . 15088 1 518 . 1 1 55 55 PHE HB2 H 1 3.029 0.06 . 2 . . . . 55 PHE HB2 . 15088 1 519 . 1 1 55 55 PHE HB3 H 1 2.995 0.06 . 2 . . . . 55 PHE HB3 . 15088 1 520 . 1 1 55 55 PHE HD1 H 1 7.019 0.06 . 3 . . . . 55 PHE HD1 . 15088 1 521 . 1 1 55 55 PHE HD2 H 1 7.019 0.06 . 3 . . . . 55 PHE HD2 . 15088 1 522 . 1 1 55 55 PHE CA C 13 59.471 0.5 . 1 . . . . 55 PHE CA . 15088 1 523 . 1 1 55 55 PHE CB C 13 37.210 0.5 . 1 . . . . 55 PHE CB . 15088 1 524 . 1 1 55 55 PHE CD1 C 13 130.569 0.5 . 3 . . . . 55 PHE CD1 . 15088 1 525 . 1 1 55 55 PHE CD2 C 13 130.569 0.5 . 3 . . . . 55 PHE CD2 . 15088 1 526 . 1 1 55 55 PHE N N 15 118.222 0.2 . 1 . . . . 55 PHE N . 15088 1 527 . 1 1 56 56 ILE H H 1 7.812 0.03 . 1 . . . . 56 ILE H . 15088 1 528 . 1 1 56 56 ILE HA H 1 3.176 0.06 . 1 . . . . 56 ILE HA . 15088 1 529 . 1 1 56 56 ILE HB H 1 1.648 0.06 . 1 . . . . 56 ILE HB . 15088 1 530 . 1 1 56 56 ILE HD11 H 1 0.135 0.06 . 1 . . . . 56 ILE HD1 . 15088 1 531 . 1 1 56 56 ILE HD12 H 1 0.135 0.06 . 1 . . . . 56 ILE HD1 . 15088 1 532 . 1 1 56 56 ILE HD13 H 1 0.135 0.06 . 1 . . . . 56 ILE HD1 . 15088 1 533 . 1 1 56 56 ILE HG12 H 1 0.935 0.06 . 2 . . . . 56 ILE HG12 . 15088 1 534 . 1 1 56 56 ILE HG13 H 1 0.935 0.06 . 2 . . . . 56 ILE HG13 . 15088 1 535 . 1 1 56 56 ILE HG21 H 1 0.622 0.06 . 1 . . . . 56 ILE HG2 . 15088 1 536 . 1 1 56 56 ILE HG22 H 1 0.622 0.06 . 1 . . . . 56 ILE HG2 . 15088 1 537 . 1 1 56 56 ILE HG23 H 1 0.622 0.06 . 1 . . . . 56 ILE HG2 . 15088 1 538 . 1 1 56 56 ILE CA C 13 64.446 0.5 . 1 . . . . 56 ILE CA . 15088 1 539 . 1 1 56 56 ILE CB C 13 35.405 0.5 . 1 . . . . 56 ILE CB . 15088 1 540 . 1 1 56 56 ILE CD1 C 13 10.470 0.5 . 1 . . . . 56 ILE CD1 . 15088 1 541 . 1 1 56 56 ILE CG2 C 13 17.003 0.5 . 1 . . . . 56 ILE CG2 . 15088 1 542 . 1 1 56 56 ILE N N 15 117.686 0.2 . 1 . . . . 56 ILE N . 15088 1 543 . 1 1 57 57 SER H H 1 7.660 0.03 . 1 . . . . 57 SER H . 15088 1 544 . 1 1 57 57 SER HA H 1 4.230 0.06 . 1 . . . . 57 SER HA . 15088 1 545 . 1 1 57 57 SER HB2 H 1 3.778 0.06 . 2 . . . . 57 SER HB2 . 15088 1 546 . 1 1 57 57 SER HB3 H 1 3.778 0.06 . 2 . . . . 57 SER HB3 . 15088 1 547 . 1 1 57 57 SER CA C 13 60.942 0.5 . 1 . . . . 57 SER CA . 15088 1 548 . 1 1 57 57 SER CB C 13 62.062 0.5 . 1 . . . . 57 SER CB . 15088 1 549 . 1 1 57 57 SER N N 15 113.709 0.2 . 1 . . . . 57 SER N . 15088 1 550 . 1 1 58 58 GLN H H 1 7.830 0.03 . 1 . . . . 58 GLN H . 15088 1 551 . 1 1 58 58 GLN HA H 1 3.934 0.06 . 1 . . . . 58 GLN HA . 15088 1 552 . 1 1 58 58 GLN HB2 H 1 2.051 0.06 . 2 . . . . 58 GLN HB2 . 15088 1 553 . 1 1 58 58 GLN HB3 H 1 2.051 0.06 . 2 . . . . 58 GLN HB3 . 15088 1 554 . 1 1 58 58 GLN CA C 13 58.232 0.5 . 1 . . . . 58 GLN CA . 15088 1 555 . 1 1 58 58 GLN CB C 13 28.502 0.5 . 1 . . . . 58 GLN CB . 15088 1 556 . 1 1 58 58 GLN N N 15 121.550 0.2 . 1 . . . . 58 GLN N . 15088 1 557 . 1 1 59 59 ILE H H 1 8.482 0.03 . 1 . . . . 59 ILE H . 15088 1 558 . 1 1 59 59 ILE HA H 1 3.434 0.06 . 1 . . . . 59 ILE HA . 15088 1 559 . 1 1 59 59 ILE HB H 1 1.520 0.06 . 1 . . . . 59 ILE HB . 15088 1 560 . 1 1 59 59 ILE HD11 H 1 0.401 0.06 . 1 . . . . 59 ILE HD1 . 15088 1 561 . 1 1 59 59 ILE HD12 H 1 0.401 0.06 . 1 . . . . 59 ILE HD1 . 15088 1 562 . 1 1 59 59 ILE HD13 H 1 0.401 0.06 . 1 . . . . 59 ILE HD1 . 15088 1 563 . 1 1 59 59 ILE HG12 H 1 1.773 0.06 . 2 . . . . 59 ILE HG12 . 15088 1 564 . 1 1 59 59 ILE HG13 H 1 1.773 0.06 . 2 . . . . 59 ILE HG13 . 15088 1 565 . 1 1 59 59 ILE HG21 H 1 0.595 0.06 . 1 . . . . 59 ILE HG2 . 15088 1 566 . 1 1 59 59 ILE HG22 H 1 0.595 0.06 . 1 . . . . 59 ILE HG2 . 15088 1 567 . 1 1 59 59 ILE HG23 H 1 0.595 0.06 . 1 . . . . 59 ILE HG2 . 15088 1 568 . 1 1 59 59 ILE CA C 13 65.096 0.5 . 1 . . . . 59 ILE CA . 15088 1 569 . 1 1 59 59 ILE CB C 13 36.901 0.5 . 1 . . . . 59 ILE CB . 15088 1 570 . 1 1 59 59 ILE CD1 C 13 13.839 0.5 . 1 . . . . 59 ILE CD1 . 15088 1 571 . 1 1 59 59 ILE CG2 C 13 19.149 0.5 . 1 . . . . 59 ILE CG2 . 15088 1 572 . 1 1 59 59 ILE N N 15 121.796 0.2 . 1 . . . . 59 ILE N . 15088 1 573 . 1 1 60 60 GLU H H 1 8.450 0.03 . 1 . . . . 60 GLU H . 15088 1 574 . 1 1 60 60 GLU HA H 1 3.705 0.06 . 1 . . . . 60 GLU HA . 15088 1 575 . 1 1 60 60 GLU HB2 H 1 2.200 0.06 . 2 . . . . 60 GLU HB2 . 15088 1 576 . 1 1 60 60 GLU HB3 H 1 2.063 0.06 . 2 . . . . 60 GLU HB3 . 15088 1 577 . 1 1 60 60 GLU HG2 H 1 2.444 0.06 . 2 . . . . 60 GLU HG2 . 15088 1 578 . 1 1 60 60 GLU HG3 H 1 2.444 0.06 . 2 . . . . 60 GLU HG3 . 15088 1 579 . 1 1 60 60 GLU CA C 13 59.896 0.5 . 1 . . . . 60 GLU CA . 15088 1 580 . 1 1 60 60 GLU CB C 13 29.133 0.5 . 1 . . . . 60 GLU CB . 15088 1 581 . 1 1 60 60 GLU N N 15 119.765 0.2 . 1 . . . . 60 GLU N . 15088 1 582 . 1 1 61 61 SER H H 1 7.815 0.03 . 1 . . . . 61 SER H . 15088 1 583 . 1 1 61 61 SER HA H 1 4.226 0.06 . 1 . . . . 61 SER HA . 15088 1 584 . 1 1 61 61 SER HB2 H 1 4.010 0.06 . 2 . . . . 61 SER HB2 . 15088 1 585 . 1 1 61 61 SER HB3 H 1 3.850 0.06 . 2 . . . . 61 SER HB3 . 15088 1 586 . 1 1 61 61 SER CA C 13 61.382 0.5 . 1 . . . . 61 SER CA . 15088 1 587 . 1 1 61 61 SER N N 15 114.979 0.2 . 1 . . . . 61 SER N . 15088 1 588 . 1 1 62 62 MET H H 1 7.878 0.03 . 1 . . . . 62 MET H . 15088 1 589 . 1 1 62 62 MET HA H 1 4.390 0.06 . 1 . . . . 62 MET HA . 15088 1 590 . 1 1 62 62 MET HB2 H 1 2.386 0.06 . 2 . . . . 62 MET HB2 . 15088 1 591 . 1 1 62 62 MET HB3 H 1 2.909 0.06 . 2 . . . . 62 MET HB3 . 15088 1 592 . 1 1 62 62 MET HE1 H 1 1.900 0.06 . 1 . . . . 62 MET HE . 15088 1 593 . 1 1 62 62 MET HE2 H 1 1.900 0.06 . 1 . . . . 62 MET HE . 15088 1 594 . 1 1 62 62 MET HE3 H 1 1.900 0.06 . 1 . . . . 62 MET HE . 15088 1 595 . 1 1 62 62 MET CA C 13 58.334 0.5 . 1 . . . . 62 MET CA . 15088 1 596 . 1 1 62 62 MET CB C 13 33.326 0.5 . 1 . . . . 62 MET CB . 15088 1 597 . 1 1 62 62 MET N N 15 120.947 0.2 . 1 . . . . 62 MET N . 15088 1 598 . 1 1 63 63 LEU H H 1 8.179 0.03 . 1 . . . . 63 LEU H . 15088 1 599 . 1 1 63 63 LEU HA H 1 4.333 0.06 . 1 . . . . 63 LEU HA . 15088 1 600 . 1 1 63 63 LEU HB2 H 1 2.032 0.06 . 2 . . . . 63 LEU HB2 . 15088 1 601 . 1 1 63 63 LEU HB3 H 1 1.415 0.06 . 2 . . . . 63 LEU HB3 . 15088 1 602 . 1 1 63 63 LEU HD11 H 1 0.619 0.06 . 2 . . . . 63 LEU HD1 . 15088 1 603 . 1 1 63 63 LEU HD12 H 1 0.619 0.06 . 2 . . . . 63 LEU HD1 . 15088 1 604 . 1 1 63 63 LEU HD13 H 1 0.619 0.06 . 2 . . . . 63 LEU HD1 . 15088 1 605 . 1 1 63 63 LEU HD21 H 1 0.619 0.06 . 2 . . . . 63 LEU HD2 . 15088 1 606 . 1 1 63 63 LEU HD22 H 1 0.619 0.06 . 2 . . . . 63 LEU HD2 . 15088 1 607 . 1 1 63 63 LEU HD23 H 1 0.619 0.06 . 2 . . . . 63 LEU HD2 . 15088 1 608 . 1 1 63 63 LEU HG H 1 1.647 0.06 . 1 . . . . 63 LEU HG . 15088 1 609 . 1 1 63 63 LEU CA C 13 56.920 0.5 . 1 . . . . 63 LEU CA . 15088 1 610 . 1 1 63 63 LEU CB C 13 40.871 0.5 . 1 . . . . 63 LEU CB . 15088 1 611 . 1 1 63 63 LEU CD1 C 13 25.544 0.5 . 2 . . . . 63 LEU CD1 . 15088 1 612 . 1 1 63 63 LEU CD2 C 13 25.544 0.5 . 2 . . . . 63 LEU CD2 . 15088 1 613 . 1 1 63 63 LEU N N 15 121.156 0.2 . 1 . . . . 63 LEU N . 15088 1 614 . 1 1 64 64 THR H H 1 7.913 0.03 . 1 . . . . 64 THR H . 15088 1 615 . 1 1 64 64 THR HA H 1 3.980 0.06 . 1 . . . . 64 THR HA . 15088 1 616 . 1 1 64 64 THR HB H 1 4.477 0.06 . 1 . . . . 64 THR HB . 15088 1 617 . 1 1 64 64 THR HG21 H 1 1.205 0.06 . 1 . . . . 64 THR HG2 . 15088 1 618 . 1 1 64 64 THR HG22 H 1 1.205 0.06 . 1 . . . . 64 THR HG2 . 15088 1 619 . 1 1 64 64 THR HG23 H 1 1.205 0.06 . 1 . . . . 64 THR HG2 . 15088 1 620 . 1 1 64 64 THR CA C 13 65.633 0.5 . 1 . . . . 64 THR CA . 15088 1 621 . 1 1 64 64 THR CB C 13 68.205 0.5 . 1 . . . . 64 THR CB . 15088 1 622 . 1 1 64 64 THR N N 15 116.077 0.2 . 1 . . . . 64 THR N . 15088 1 623 . 1 1 65 65 THR H H 1 8.138 0.03 . 1 . . . . 65 THR H . 15088 1 624 . 1 1 65 65 THR HA H 1 4.224 0.06 . 1 . . . . 65 THR HA . 15088 1 625 . 1 1 65 65 THR HB H 1 4.444 0.06 . 1 . . . . 65 THR HB . 15088 1 626 . 1 1 65 65 THR HG21 H 1 1.244 0.06 . 1 . . . . 65 THR HG2 . 15088 1 627 . 1 1 65 65 THR HG22 H 1 1.244 0.06 . 1 . . . . 65 THR HG2 . 15088 1 628 . 1 1 65 65 THR HG23 H 1 1.244 0.06 . 1 . . . . 65 THR HG2 . 15088 1 629 . 1 1 65 65 THR CA C 13 62.390 0.5 . 1 . . . . 65 THR CA . 15088 1 630 . 1 1 65 65 THR CB C 13 69.153 0.5 . 1 . . . . 65 THR CB . 15088 1 631 . 1 1 65 65 THR CG2 C 13 21.345 0.5 . 1 . . . . 65 THR CG2 . 15088 1 632 . 1 1 65 65 THR N N 15 110.012 0.2 . 1 . . . . 65 THR N . 15088 1 633 . 1 1 66 66 GLY H H 1 7.529 0.03 . 1 . . . . 66 GLY H . 15088 1 634 . 1 1 66 66 GLY HA2 H 1 4.300 0.06 . 2 . . . . 66 GLY HA2 . 15088 1 635 . 1 1 66 66 GLY HA3 H 1 3.771 0.06 . 2 . . . . 66 GLY HA3 . 15088 1 636 . 1 1 66 66 GLY CA C 13 44.829 0.5 . 1 . . . . 66 GLY CA . 15088 1 637 . 1 1 66 66 GLY N N 15 108.759 0.2 . 1 . . . . 66 GLY N . 15088 1 638 . 1 1 67 67 GLU H H 1 8.480 0.03 . 1 . . . . 67 GLU H . 15088 1 639 . 1 1 67 67 GLU HA H 1 3.920 0.06 . 1 . . . . 67 GLU HA . 15088 1 640 . 1 1 67 67 GLU HB2 H 1 1.859 0.06 . 2 . . . . 67 GLU HB2 . 15088 1 641 . 1 1 67 67 GLU HB3 H 1 1.983 0.06 . 2 . . . . 67 GLU HB3 . 15088 1 642 . 1 1 67 67 GLU HG2 H 1 2.269 0.06 . 2 . . . . 67 GLU HG2 . 15088 1 643 . 1 1 67 67 GLU HG3 H 1 2.222 0.06 . 2 . . . . 67 GLU HG3 . 15088 1 644 . 1 1 67 67 GLU CA C 13 59.013 0.5 . 1 . . . . 67 GLU CA . 15088 1 645 . 1 1 67 67 GLU CB C 13 30.042 0.5 . 1 . . . . 67 GLU CB . 15088 1 646 . 1 1 67 67 GLU CG C 13 36.743 0.5 . 1 . . . . 67 GLU CG . 15088 1 647 . 1 1 67 67 GLU N N 15 123.262 0.2 . 1 . . . . 67 GLU N . 15088 1 648 . 1 1 68 68 LEU H H 1 7.137 0.03 . 1 . . . . 68 LEU H . 15088 1 649 . 1 1 68 68 LEU HA H 1 4.545 0.06 . 1 . . . . 68 LEU HA . 15088 1 650 . 1 1 68 68 LEU HB2 H 1 1.118 0.06 . 2 . . . . 68 LEU HB2 . 15088 1 651 . 1 1 68 68 LEU HB3 H 1 1.170 0.06 . 2 . . . . 68 LEU HB3 . 15088 1 652 . 1 1 68 68 LEU HD11 H 1 0.887 0.06 . 2 . . . . 68 LEU HD1 . 15088 1 653 . 1 1 68 68 LEU HD12 H 1 0.887 0.06 . 2 . . . . 68 LEU HD1 . 15088 1 654 . 1 1 68 68 LEU HD13 H 1 0.887 0.06 . 2 . . . . 68 LEU HD1 . 15088 1 655 . 1 1 68 68 LEU HD21 H 1 0.887 0.06 . 2 . . . . 68 LEU HD2 . 15088 1 656 . 1 1 68 68 LEU HD22 H 1 0.887 0.06 . 2 . . . . 68 LEU HD2 . 15088 1 657 . 1 1 68 68 LEU HD23 H 1 0.887 0.06 . 2 . . . . 68 LEU HD2 . 15088 1 658 . 1 1 68 68 LEU HG H 1 1.407 0.06 . 1 . . . . 68 LEU HG . 15088 1 659 . 1 1 68 68 LEU CA C 13 52.955 0.5 . 1 . . . . 68 LEU CA . 15088 1 660 . 1 1 68 68 LEU CB C 13 45.377 0.5 . 1 . . . . 68 LEU CB . 15088 1 661 . 1 1 68 68 LEU CD1 C 13 26.514 0.5 . 2 . . . . 68 LEU CD1 . 15088 1 662 . 1 1 68 68 LEU CD2 C 13 26.514 0.5 . 2 . . . . 68 LEU CD2 . 15088 1 663 . 1 1 68 68 LEU N N 15 115.782 0.2 . 1 . . . . 68 LEU N . 15088 1 664 . 1 1 69 69 ASN H H 1 9.102 0.03 . 1 . . . . 69 ASN H . 15088 1 665 . 1 1 69 69 ASN HA H 1 5.125 0.06 . 1 . . . . 69 ASN HA . 15088 1 666 . 1 1 69 69 ASN HB2 H 1 3.033 0.06 . 2 . . . . 69 ASN HB2 . 15088 1 667 . 1 1 69 69 ASN HB3 H 1 2.655 0.06 . 2 . . . . 69 ASN HB3 . 15088 1 668 . 1 1 69 69 ASN CA C 13 49.347 0.5 . 1 . . . . 69 ASN CA . 15088 1 669 . 1 1 69 69 ASN CB C 13 41.313 0.5 . 1 . . . . 69 ASN CB . 15088 1 670 . 1 1 69 69 ASN N N 15 121.546 0.2 . 1 . . . . 69 ASN N . 15088 1 671 . 1 1 70 70 PRO HA H 1 4.479 0.06 . 1 . . . . 70 PRO HA . 15088 1 672 . 1 1 70 70 PRO HB2 H 1 2.206 0.06 . 2 . . . . 70 PRO HB2 . 15088 1 673 . 1 1 70 70 PRO HB3 H 1 2.111 0.06 . 2 . . . . 70 PRO HB3 . 15088 1 674 . 1 1 70 70 PRO HD2 H 1 4.104 0.06 . 2 . . . . 70 PRO HD2 . 15088 1 675 . 1 1 70 70 PRO HD3 H 1 3.789 0.06 . 2 . . . . 70 PRO HD3 . 15088 1 676 . 1 1 70 70 PRO HG2 H 1 1.899 0.06 . 2 . . . . 70 PRO HG2 . 15088 1 677 . 1 1 70 70 PRO HG3 H 1 1.899 0.06 . 2 . . . . 70 PRO HG3 . 15088 1 678 . 1 1 70 70 PRO CA C 13 64.544 0.5 . 1 . . . . 70 PRO CA . 15088 1 679 . 1 1 70 70 PRO CB C 13 33.813 0.5 . 1 . . . . 70 PRO CB . 15088 1 680 . 1 1 70 70 PRO CD C 13 50.890 0.5 . 1 . . . . 70 PRO CD . 15088 1 681 . 1 1 71 71 ARG H H 1 7.981 0.03 . 1 . . . . 71 ARG H . 15088 1 682 . 1 1 71 71 ARG HA H 1 4.225 0.06 . 1 . . . . 71 ARG HA . 15088 1 683 . 1 1 71 71 ARG HB2 H 1 1.567 0.06 . 2 . . . . 71 ARG HB2 . 15088 1 684 . 1 1 71 71 ARG HB3 H 1 1.567 0.06 . 2 . . . . 71 ARG HB3 . 15088 1 685 . 1 1 71 71 ARG HD2 H 1 3.135 0.06 . 2 . . . . 71 ARG HD2 . 15088 1 686 . 1 1 71 71 ARG HD3 H 1 3.135 0.06 . 2 . . . . 71 ARG HD3 . 15088 1 687 . 1 1 71 71 ARG HG2 H 1 1.769 0.06 . 2 . . . . 71 ARG HG2 . 15088 1 688 . 1 1 71 71 ARG HG3 H 1 1.769 0.06 . 2 . . . . 71 ARG HG3 . 15088 1 689 . 1 1 71 71 ARG CA C 13 55.319 0.5 . 1 . . . . 71 ARG CA . 15088 1 690 . 1 1 71 71 ARG CB C 13 30.545 0.5 . 1 . . . . 71 ARG CB . 15088 1 691 . 1 1 71 71 ARG CD C 13 42.500 0.5 . 1 . . . . 71 ARG CD . 15088 1 692 . 1 1 71 71 ARG CG C 13 30.545 0.5 . 1 . . . . 71 ARG CG . 15088 1 693 . 1 1 71 71 ARG N N 15 109.539 0.2 . 1 . . . . 71 ARG N . 15088 1 694 . 1 1 72 72 HIS H H 1 7.702 0.03 . 1 . . . . 72 HIS H . 15088 1 695 . 1 1 72 72 HIS HA H 1 4.780 0.06 . 1 . . . . 72 HIS HA . 15088 1 696 . 1 1 72 72 HIS HB2 H 1 2.850 0.06 . 2 . . . . 72 HIS HB2 . 15088 1 697 . 1 1 72 72 HIS HB3 H 1 3.025 0.06 . 2 . . . . 72 HIS HB3 . 15088 1 698 . 1 1 72 72 HIS CA C 13 53.769 0.5 . 1 . . . . 72 HIS CA . 15088 1 699 . 1 1 72 72 HIS CB C 13 32.267 0.5 . 1 . . . . 72 HIS CB . 15088 1 700 . 1 1 72 72 HIS N N 15 118.028 0.2 . 1 . . . . 72 HIS N . 15088 1 701 . 1 1 73 73 ALA H H 1 8.586 0.03 . 1 . . . . 73 ALA H . 15088 1 702 . 1 1 73 73 ALA HA H 1 4.130 0.06 . 1 . . . . 73 ALA HA . 15088 1 703 . 1 1 73 73 ALA HB1 H 1 1.196 0.06 . 1 . . . . 73 ALA HB . 15088 1 704 . 1 1 73 73 ALA HB2 H 1 1.196 0.06 . 1 . . . . 73 ALA HB . 15088 1 705 . 1 1 73 73 ALA HB3 H 1 1.196 0.06 . 1 . . . . 73 ALA HB . 15088 1 706 . 1 1 73 73 ALA CA C 13 52.426 0.5 . 1 . . . . 73 ALA CA . 15088 1 707 . 1 1 73 73 ALA CB C 13 17.699 0.5 . 1 . . . . 73 ALA CB . 15088 1 708 . 1 1 73 73 ALA N N 15 127.706 0.2 . 1 . . . . 73 ALA N . 15088 1 709 . 1 1 74 74 GLN H H 1 9.530 0.03 . 1 . . . . 74 GLN H . 15088 1 710 . 1 1 74 74 GLN HA H 1 4.089 0.06 . 1 . . . . 74 GLN HA . 15088 1 711 . 1 1 74 74 GLN HB2 H 1 2.396 0.06 . 2 . . . . 74 GLN HB2 . 15088 1 712 . 1 1 74 74 GLN HB3 H 1 2.045 0.06 . 2 . . . . 74 GLN HB3 . 15088 1 713 . 1 1 74 74 GLN HG2 H 1 2.240 0.06 . 2 . . . . 74 GLN HG2 . 15088 1 714 . 1 1 74 74 GLN HG3 H 1 2.240 0.06 . 2 . . . . 74 GLN HG3 . 15088 1 715 . 1 1 74 74 GLN CA C 13 57.063 0.5 . 1 . . . . 74 GLN CA . 15088 1 716 . 1 1 74 74 GLN CB C 13 29.296 0.5 . 1 . . . . 74 GLN CB . 15088 1 717 . 1 1 74 74 GLN N N 15 125.174 0.2 . 1 . . . . 74 GLN N . 15088 1 718 . 1 1 75 75 CYS H H 1 8.611 0.03 . 1 . . . . 75 CYS H . 15088 1 719 . 1 1 75 75 CYS HA H 1 5.175 0.06 . 1 . . . . 75 CYS HA . 15088 1 720 . 1 1 75 75 CYS HB2 H 1 2.861 0.06 . 2 . . . . 75 CYS HB2 . 15088 1 721 . 1 1 75 75 CYS HB3 H 1 2.861 0.06 . 2 . . . . 75 CYS HB3 . 15088 1 722 . 1 1 75 75 CYS CA C 13 57.365 0.5 . 1 . . . . 75 CYS CA . 15088 1 723 . 1 1 75 75 CYS CB C 13 27.393 0.5 . 1 . . . . 75 CYS CB . 15088 1 724 . 1 1 75 75 CYS N N 15 127.825 0.2 . 1 . . . . 75 CYS N . 15088 1 725 . 1 1 76 76 VAL H H 1 9.430 0.03 . 1 . . . . 76 VAL H . 15088 1 726 . 1 1 76 76 VAL HA H 1 4.672 0.06 . 1 . . . . 76 VAL HA . 15088 1 727 . 1 1 76 76 VAL HB H 1 2.036 0.06 . 1 . . . . 76 VAL HB . 15088 1 728 . 1 1 76 76 VAL HG11 H 1 0.898 0.06 . 2 . . . . 76 VAL HG1 . 15088 1 729 . 1 1 76 76 VAL HG12 H 1 0.898 0.06 . 2 . . . . 76 VAL HG1 . 15088 1 730 . 1 1 76 76 VAL HG13 H 1 0.898 0.06 . 2 . . . . 76 VAL HG1 . 15088 1 731 . 1 1 76 76 VAL HG21 H 1 0.898 0.06 . 2 . . . . 76 VAL HG2 . 15088 1 732 . 1 1 76 76 VAL HG22 H 1 0.898 0.06 . 2 . . . . 76 VAL HG2 . 15088 1 733 . 1 1 76 76 VAL HG23 H 1 0.898 0.06 . 2 . . . . 76 VAL HG2 . 15088 1 734 . 1 1 76 76 VAL CA C 13 59.670 0.5 . 1 . . . . 76 VAL CA . 15088 1 735 . 1 1 76 76 VAL CB C 13 33.946 0.5 . 1 . . . . 76 VAL CB . 15088 1 736 . 1 1 76 76 VAL CG1 C 13 19.221 0.5 . 2 . . . . 76 VAL CG1 . 15088 1 737 . 1 1 76 76 VAL CG2 C 13 19.221 0.5 . 2 . . . . 76 VAL CG2 . 15088 1 738 . 1 1 76 76 VAL N N 15 127.195 0.2 . 1 . . . . 76 VAL N . 15088 1 739 . 1 1 77 77 THR H H 1 8.203 0.03 . 1 . . . . 77 THR H . 15088 1 740 . 1 1 77 77 THR HA H 1 4.890 0.06 . 1 . . . . 77 THR HA . 15088 1 741 . 1 1 77 77 THR HB H 1 3.707 0.06 . 1 . . . . 77 THR HB . 15088 1 742 . 1 1 77 77 THR HG21 H 1 0.716 0.06 . 1 . . . . 77 THR HG2 . 15088 1 743 . 1 1 77 77 THR HG22 H 1 0.716 0.06 . 1 . . . . 77 THR HG2 . 15088 1 744 . 1 1 77 77 THR HG23 H 1 0.716 0.06 . 1 . . . . 77 THR HG2 . 15088 1 745 . 1 1 77 77 THR CA C 13 61.623 0.5 . 1 . . . . 77 THR CA . 15088 1 746 . 1 1 77 77 THR CB C 13 69.561 0.5 . 1 . . . . 77 THR CB . 15088 1 747 . 1 1 77 77 THR N N 15 117.773 0.2 . 1 . . . . 77 THR N . 15088 1 748 . 1 1 78 78 LEU H H 1 9.220 0.03 . 1 . . . . 78 LEU H . 15088 1 749 . 1 1 78 78 LEU HA H 1 4.597 0.06 . 1 . . . . 78 LEU HA . 15088 1 750 . 1 1 78 78 LEU HB2 H 1 1.752 0.06 . 2 . . . . 78 LEU HB2 . 15088 1 751 . 1 1 78 78 LEU HB3 H 1 1.387 0.06 . 2 . . . . 78 LEU HB3 . 15088 1 752 . 1 1 78 78 LEU HD11 H 1 0.750 0.06 . 2 . . . . 78 LEU HD1 . 15088 1 753 . 1 1 78 78 LEU HD12 H 1 0.750 0.06 . 2 . . . . 78 LEU HD1 . 15088 1 754 . 1 1 78 78 LEU HD13 H 1 0.750 0.06 . 2 . . . . 78 LEU HD1 . 15088 1 755 . 1 1 78 78 LEU HD21 H 1 0.850 0.06 . 2 . . . . 78 LEU HD2 . 15088 1 756 . 1 1 78 78 LEU HD22 H 1 0.850 0.06 . 2 . . . . 78 LEU HD2 . 15088 1 757 . 1 1 78 78 LEU HD23 H 1 0.850 0.06 . 2 . . . . 78 LEU HD2 . 15088 1 758 . 1 1 78 78 LEU CA C 13 52.667 0.5 . 1 . . . . 78 LEU CA . 15088 1 759 . 1 1 78 78 LEU CB C 13 45.023 0.5 . 1 . . . . 78 LEU CB . 15088 1 760 . 1 1 78 78 LEU CD1 C 13 25.400 0.5 . 2 . . . . 78 LEU CD1 . 15088 1 761 . 1 1 78 78 LEU CD2 C 13 25.400 0.5 . 2 . . . . 78 LEU CD2 . 15088 1 762 . 1 1 78 78 LEU N N 15 127.846 0.2 . 1 . . . . 78 LEU N . 15088 1 763 . 1 1 79 79 TYR H H 1 8.739 0.03 . 1 . . . . 79 TYR H . 15088 1 764 . 1 1 79 79 TYR HA H 1 5.680 0.06 . 1 . . . . 79 TYR HA . 15088 1 765 . 1 1 79 79 TYR HB2 H 1 2.776 0.06 . 2 . . . . 79 TYR HB2 . 15088 1 766 . 1 1 79 79 TYR HB3 H 1 3.112 0.06 . 2 . . . . 79 TYR HB3 . 15088 1 767 . 1 1 79 79 TYR HD1 H 1 7.136 0.06 . 3 . . . . 79 TYR HD1 . 15088 1 768 . 1 1 79 79 TYR HD2 H 1 7.136 0.06 . 3 . . . . 79 TYR HD2 . 15088 1 769 . 1 1 79 79 TYR HE1 H 1 6.734 0.06 . 3 . . . . 79 TYR HE1 . 15088 1 770 . 1 1 79 79 TYR HE2 H 1 6.734 0.06 . 3 . . . . 79 TYR HE2 . 15088 1 771 . 1 1 79 79 TYR CA C 13 55.963 0.5 . 1 . . . . 79 TYR CA . 15088 1 772 . 1 1 79 79 TYR CB C 13 41.396 0.5 . 1 . . . . 79 TYR CB . 15088 1 773 . 1 1 79 79 TYR CD1 C 13 134.075 0.5 . 3 . . . . 79 TYR CD1 . 15088 1 774 . 1 1 79 79 TYR CD2 C 13 134.075 0.5 . 3 . . . . 79 TYR CD2 . 15088 1 775 . 1 1 79 79 TYR CE1 C 13 117.911 0.5 . 3 . . . . 79 TYR CE1 . 15088 1 776 . 1 1 79 79 TYR CE2 C 13 117.911 0.5 . 3 . . . . 79 TYR CE2 . 15088 1 777 . 1 1 79 79 TYR N N 15 117.451 0.2 . 1 . . . . 79 TYR N . 15088 1 778 . 1 1 80 80 HIS H H 1 9.324 0.03 . 1 . . . . 80 HIS H . 15088 1 779 . 1 1 80 80 HIS HA H 1 4.545 0.06 . 1 . . . . 80 HIS HA . 15088 1 780 . 1 1 80 80 HIS HB2 H 1 2.248 0.06 . 2 . . . . 80 HIS HB2 . 15088 1 781 . 1 1 80 80 HIS HB3 H 1 2.868 0.06 . 2 . . . . 80 HIS HB3 . 15088 1 782 . 1 1 80 80 HIS CA C 13 57.781 0.5 . 1 . . . . 80 HIS CA . 15088 1 783 . 1 1 80 80 HIS CB C 13 32.894 0.5 . 1 . . . . 80 HIS CB . 15088 1 784 . 1 1 80 80 HIS N N 15 121.592 0.2 . 1 . . . . 80 HIS N . 15088 1 785 . 1 1 81 81 ASN H H 1 8.619 0.03 . 1 . . . . 81 ASN H . 15088 1 786 . 1 1 81 81 ASN HA H 1 4.091 0.06 . 1 . . . . 81 ASN HA . 15088 1 787 . 1 1 81 81 ASN HB2 H 1 2.886 0.06 . 2 . . . . 81 ASN HB2 . 15088 1 788 . 1 1 81 81 ASN HB3 H 1 1.793 0.06 . 2 . . . . 81 ASN HB3 . 15088 1 789 . 1 1 81 81 ASN CA C 13 52.908 0.5 . 1 . . . . 81 ASN CA . 15088 1 790 . 1 1 81 81 ASN CB C 13 37.384 0.5 . 1 . . . . 81 ASN CB . 15088 1 791 . 1 1 81 81 ASN N N 15 125.264 0.2 . 1 . . . . 81 ASN N . 15088 1 792 . 1 1 82 82 GLY H H 1 8.336 0.03 . 1 . . . . 82 GLY H . 15088 1 793 . 1 1 82 82 GLY HA2 H 1 4.096 0.06 . 2 . . . . 82 GLY HA2 . 15088 1 794 . 1 1 82 82 GLY HA3 H 1 3.595 0.06 . 2 . . . . 82 GLY HA3 . 15088 1 795 . 1 1 82 82 GLY CA C 13 45.132 0.5 . 1 . . . . 82 GLY CA . 15088 1 796 . 1 1 82 82 GLY N N 15 102.719 0.2 . 1 . . . . 82 GLY N . 15088 1 797 . 1 1 83 83 PHE H H 1 8.498 0.03 . 1 . . . . 83 PHE H . 15088 1 798 . 1 1 83 83 PHE HA H 1 5.049 0.06 . 1 . . . . 83 PHE HA . 15088 1 799 . 1 1 83 83 PHE HB2 H 1 2.892 0.06 . 2 . . . . 83 PHE HB2 . 15088 1 800 . 1 1 83 83 PHE HB3 H 1 3.260 0.06 . 2 . . . . 83 PHE HB3 . 15088 1 801 . 1 1 83 83 PHE HD1 H 1 7.124 0.06 . 3 . . . . 83 PHE HD1 . 15088 1 802 . 1 1 83 83 PHE HD2 H 1 7.124 0.06 . 3 . . . . 83 PHE HD2 . 15088 1 803 . 1 1 83 83 PHE CA C 13 57.244 0.5 . 1 . . . . 83 PHE CA . 15088 1 804 . 1 1 83 83 PHE CB C 13 42.331 0.5 . 1 . . . . 83 PHE CB . 15088 1 805 . 1 1 83 83 PHE CD1 C 13 131.832 0.5 . 3 . . . . 83 PHE CD1 . 15088 1 806 . 1 1 83 83 PHE CD2 C 13 131.832 0.5 . 3 . . . . 83 PHE CD2 . 15088 1 807 . 1 1 83 83 PHE N N 15 120.461 0.2 . 1 . . . . 83 PHE N . 15088 1 808 . 1 1 84 84 THR H H 1 9.387 0.03 . 1 . . . . 84 THR H . 15088 1 809 . 1 1 84 84 THR HA H 1 4.771 0.06 . 1 . . . . 84 THR HA . 15088 1 810 . 1 1 84 84 THR HB H 1 3.058 0.06 . 1 . . . . 84 THR HB . 15088 1 811 . 1 1 84 84 THR HG21 H 1 0.776 0.06 . 1 . . . . 84 THR HG2 . 15088 1 812 . 1 1 84 84 THR HG22 H 1 0.776 0.06 . 1 . . . . 84 THR HG2 . 15088 1 813 . 1 1 84 84 THR HG23 H 1 0.776 0.06 . 1 . . . . 84 THR HG2 . 15088 1 814 . 1 1 84 84 THR CA C 13 60.323 0.5 . 1 . . . . 84 THR CA . 15088 1 815 . 1 1 84 84 THR CB C 13 71.263 0.5 . 1 . . . . 84 THR CB . 15088 1 816 . 1 1 84 84 THR N N 15 118.901 0.2 . 1 . . . . 84 THR N . 15088 1 817 . 1 1 85 85 CYS H H 1 8.691 0.03 . 1 . . . . 85 CYS H . 15088 1 818 . 1 1 85 85 CYS HA H 1 5.010 0.06 . 1 . . . . 85 CYS HA . 15088 1 819 . 1 1 85 85 CYS HB2 H 1 1.449 0.06 . 2 . . . . 85 CYS HB2 . 15088 1 820 . 1 1 85 85 CYS HB3 H 1 0.496 0.06 . 2 . . . . 85 CYS HB3 . 15088 1 821 . 1 1 85 85 CYS CA C 13 54.594 0.5 . 1 . . . . 85 CYS CA . 15088 1 822 . 1 1 85 85 CYS CB C 13 26.847 0.5 . 1 . . . . 85 CYS CB . 15088 1 823 . 1 1 85 85 CYS N N 15 124.244 0.2 . 1 . . . . 85 CYS N . 15088 1 824 . 1 1 86 86 GLU H H 1 9.051 0.03 . 1 . . . . 86 GLU H . 15088 1 825 . 1 1 86 86 GLU HA H 1 5.304 0.06 . 1 . . . . 86 GLU HA . 15088 1 826 . 1 1 86 86 GLU HB2 H 1 1.614 0.06 . 2 . . . . 86 GLU HB2 . 15088 1 827 . 1 1 86 86 GLU HB3 H 1 1.614 0.06 . 2 . . . . 86 GLU HB3 . 15088 1 828 . 1 1 86 86 GLU HG2 H 1 2.280 0.06 . 2 . . . . 86 GLU HG2 . 15088 1 829 . 1 1 86 86 GLU HG3 H 1 2.280 0.06 . 2 . . . . 86 GLU HG3 . 15088 1 830 . 1 1 86 86 GLU CA C 13 54.424 0.5 . 1 . . . . 86 GLU CA . 15088 1 831 . 1 1 86 86 GLU CB C 13 34.037 0.5 . 1 . . . . 86 GLU CB . 15088 1 832 . 1 1 86 86 GLU N N 15 128.372 0.2 . 1 . . . . 86 GLU N . 15088 1 833 . 1 1 87 87 ALA H H 1 8.758 0.03 . 1 . . . . 87 ALA H . 15088 1 834 . 1 1 87 87 ALA HA H 1 5.520 0.06 . 1 . . . . 87 ALA HA . 15088 1 835 . 1 1 87 87 ALA HB1 H 1 0.978 0.06 . 1 . . . . 87 ALA HB . 15088 1 836 . 1 1 87 87 ALA HB2 H 1 0.978 0.06 . 1 . . . . 87 ALA HB . 15088 1 837 . 1 1 87 87 ALA HB3 H 1 0.978 0.06 . 1 . . . . 87 ALA HB . 15088 1 838 . 1 1 87 87 ALA CA C 13 49.578 0.5 . 1 . . . . 87 ALA CA . 15088 1 839 . 1 1 87 87 ALA N N 15 122.903 0.2 . 1 . . . . 87 ALA N . 15088 1 840 . 1 1 88 88 ASP H H 1 8.849 0.03 . 1 . . . . 88 ASP H . 15088 1 841 . 1 1 88 88 ASP HA H 1 5.146 0.06 . 1 . . . . 88 ASP HA . 15088 1 842 . 1 1 88 88 ASP HB2 H 1 2.561 0.06 . 2 . . . . 88 ASP HB2 . 15088 1 843 . 1 1 88 88 ASP HB3 H 1 2.738 0.06 . 2 . . . . 88 ASP HB3 . 15088 1 844 . 1 1 88 88 ASP CA C 13 53.299 0.5 . 1 . . . . 88 ASP CA . 15088 1 845 . 1 1 88 88 ASP CB C 13 46.981 0.5 . 1 . . . . 88 ASP CB . 15088 1 846 . 1 1 88 88 ASP N N 15 119.653 0.2 . 1 . . . . 88 ASP N . 15088 1 847 . 1 1 89 89 THR H H 1 9.780 0.03 . 1 . . . . 89 THR H . 15088 1 848 . 1 1 89 89 THR HA H 1 4.940 0.06 . 1 . . . . 89 THR HA . 15088 1 849 . 1 1 89 89 THR HB H 1 4.923 0.06 . 1 . . . . 89 THR HB . 15088 1 850 . 1 1 89 89 THR HG21 H 1 1.243 0.06 . 1 . . . . 89 THR HG2 . 15088 1 851 . 1 1 89 89 THR HG22 H 1 1.243 0.06 . 1 . . . . 89 THR HG2 . 15088 1 852 . 1 1 89 89 THR HG23 H 1 1.243 0.06 . 1 . . . . 89 THR HG2 . 15088 1 853 . 1 1 89 89 THR CA C 13 63.221 0.5 . 1 . . . . 89 THR CA . 15088 1 854 . 1 1 89 89 THR CB C 13 69.269 0.5 . 1 . . . . 89 THR CB . 15088 1 855 . 1 1 89 89 THR CG2 C 13 20.420 0.5 . 1 . . . . 89 THR CG2 . 15088 1 856 . 1 1 89 89 THR N N 15 120.857 0.2 . 1 . . . . 89 THR N . 15088 1 857 . 1 1 90 90 LEU H H 1 10.670 0.03 . 1 . . . . 90 LEU H . 15088 1 858 . 1 1 90 90 LEU HA H 1 3.619 0.06 . 1 . . . . 90 LEU HA . 15088 1 859 . 1 1 90 90 LEU HB2 H 1 1.475 0.06 . 2 . . . . 90 LEU HB2 . 15088 1 860 . 1 1 90 90 LEU HB3 H 1 1.950 0.06 . 2 . . . . 90 LEU HB3 . 15088 1 861 . 1 1 90 90 LEU HD11 H 1 -0.001 0.06 . 2 . . . . 90 LEU HD1 . 15088 1 862 . 1 1 90 90 LEU HD12 H 1 -0.001 0.06 . 2 . . . . 90 LEU HD1 . 15088 1 863 . 1 1 90 90 LEU HD13 H 1 -0.001 0.06 . 2 . . . . 90 LEU HD1 . 15088 1 864 . 1 1 90 90 LEU HD21 H 1 0.577 0.06 . 2 . . . . 90 LEU HD2 . 15088 1 865 . 1 1 90 90 LEU HD22 H 1 0.577 0.06 . 2 . . . . 90 LEU HD2 . 15088 1 866 . 1 1 90 90 LEU HD23 H 1 0.577 0.06 . 2 . . . . 90 LEU HD2 . 15088 1 867 . 1 1 90 90 LEU HG H 1 1.143 0.06 . 1 . . . . 90 LEU HG . 15088 1 868 . 1 1 90 90 LEU CA C 13 55.620 0.5 . 1 . . . . 90 LEU CA . 15088 1 869 . 1 1 90 90 LEU CB C 13 38.653 0.5 . 1 . . . . 90 LEU CB . 15088 1 870 . 1 1 90 90 LEU CD1 C 13 23.814 0.5 . 2 . . . . 90 LEU CD1 . 15088 1 871 . 1 1 90 90 LEU CD2 C 13 21.346 0.5 . 2 . . . . 90 LEU CD2 . 15088 1 872 . 1 1 90 90 LEU CG C 13 26.330 0.5 . 1 . . . . 90 LEU CG . 15088 1 873 . 1 1 90 90 LEU N N 15 121.028 0.2 . 1 . . . . 90 LEU N . 15088 1 874 . 1 1 91 91 GLY H H 1 8.606 0.03 . 1 . . . . 91 GLY H . 15088 1 875 . 1 1 91 91 GLY HA2 H 1 3.500 0.06 . 2 . . . . 91 GLY HA2 . 15088 1 876 . 1 1 91 91 GLY HA3 H 1 3.680 0.06 . 2 . . . . 91 GLY HA3 . 15088 1 877 . 1 1 91 91 GLY CA C 13 46.299 0.5 . 1 . . . . 91 GLY CA . 15088 1 878 . 1 1 91 91 GLY N N 15 107.743 0.2 . 1 . . . . 91 GLY N . 15088 1 879 . 1 1 92 92 SER H H 1 8.126 0.03 . 1 . . . . 92 SER H . 15088 1 880 . 1 1 92 92 SER HA H 1 4.078 0.06 . 1 . . . . 92 SER HA . 15088 1 881 . 1 1 92 92 SER HB2 H 1 4.396 0.06 . 2 . . . . 92 SER HB2 . 15088 1 882 . 1 1 92 92 SER HB3 H 1 4.396 0.06 . 2 . . . . 92 SER HB3 . 15088 1 883 . 1 1 92 92 SER CA C 13 59.779 0.5 . 1 . . . . 92 SER CA . 15088 1 884 . 1 1 92 92 SER CB C 13 65.161 0.5 . 1 . . . . 92 SER CB . 15088 1 885 . 1 1 92 92 SER N N 15 112.753 0.2 . 1 . . . . 92 SER N . 15088 1 886 . 1 1 93 93 CYS H H 1 9.001 0.03 . 1 . . . . 93 CYS H . 15088 1 887 . 1 1 93 93 CYS HA H 1 3.617 0.06 . 1 . . . . 93 CYS HA . 15088 1 888 . 1 1 93 93 CYS HB2 H 1 2.878 0.06 . 2 . . . . 93 CYS HB2 . 15088 1 889 . 1 1 93 93 CYS HB3 H 1 3.088 0.06 . 2 . . . . 93 CYS HB3 . 15088 1 890 . 1 1 93 93 CYS CA C 13 59.953 0.5 . 1 . . . . 93 CYS CA . 15088 1 891 . 1 1 93 93 CYS CB C 13 25.176 0.5 . 1 . . . . 93 CYS CB . 15088 1 892 . 1 1 93 93 CYS N N 15 119.159 0.2 . 1 . . . . 93 CYS N . 15088 1 893 . 1 1 94 94 GLY H H 1 8.795 0.03 . 1 . . . . 94 GLY H . 15088 1 894 . 1 1 94 94 GLY HA2 H 1 4.063 0.06 . 2 . . . . 94 GLY HA2 . 15088 1 895 . 1 1 94 94 GLY HA3 H 1 3.503 0.06 . 2 . . . . 94 GLY HA3 . 15088 1 896 . 1 1 94 94 GLY CA C 13 46.150 0.5 . 1 . . . . 94 GLY CA . 15088 1 897 . 1 1 94 94 GLY N N 15 105.924 0.2 . 1 . . . . 94 GLY N . 15088 1 898 . 1 1 95 95 TYR H H 1 8.144 0.03 . 1 . . . . 95 TYR H . 15088 1 899 . 1 1 95 95 TYR HA H 1 5.743 0.06 . 1 . . . . 95 TYR HA . 15088 1 900 . 1 1 95 95 TYR HB2 H 1 2.387 0.06 . 2 . . . . 95 TYR HB2 . 15088 1 901 . 1 1 95 95 TYR HB3 H 1 2.763 0.06 . 2 . . . . 95 TYR HB3 . 15088 1 902 . 1 1 95 95 TYR HD1 H 1 7.078 0.06 . 3 . . . . 95 TYR HD1 . 15088 1 903 . 1 1 95 95 TYR HD2 H 1 7.078 0.06 . 3 . . . . 95 TYR HD2 . 15088 1 904 . 1 1 95 95 TYR HE1 H 1 6.717 0.06 . 3 . . . . 95 TYR HE1 . 15088 1 905 . 1 1 95 95 TYR HE2 H 1 6.717 0.06 . 3 . . . . 95 TYR HE2 . 15088 1 906 . 1 1 95 95 TYR CA C 13 54.818 0.5 . 1 . . . . 95 TYR CA . 15088 1 907 . 1 1 95 95 TYR CB C 13 41.503 0.5 . 1 . . . . 95 TYR CB . 15088 1 908 . 1 1 95 95 TYR CD1 C 13 133.238 0.5 . 3 . . . . 95 TYR CD1 . 15088 1 909 . 1 1 95 95 TYR CD2 C 13 133.238 0.5 . 3 . . . . 95 TYR CD2 . 15088 1 910 . 1 1 95 95 TYR CE1 C 13 117.509 0.5 . 3 . . . . 95 TYR CE1 . 15088 1 911 . 1 1 95 95 TYR CE2 C 13 117.509 0.5 . 3 . . . . 95 TYR CE2 . 15088 1 912 . 1 1 95 95 TYR N N 15 118.757 0.2 . 1 . . . . 95 TYR N . 15088 1 913 . 1 1 96 96 VAL H H 1 8.280 0.03 . 1 . . . . 96 VAL H . 15088 1 914 . 1 1 96 96 VAL HA H 1 4.082 0.06 . 1 . . . . 96 VAL HA . 15088 1 915 . 1 1 96 96 VAL HB H 1 1.616 0.06 . 1 . . . . 96 VAL HB . 15088 1 916 . 1 1 96 96 VAL HG11 H 1 0.700 0.06 . 2 . . . . 96 VAL HG1 . 15088 1 917 . 1 1 96 96 VAL HG12 H 1 0.700 0.06 . 2 . . . . 96 VAL HG1 . 15088 1 918 . 1 1 96 96 VAL HG13 H 1 0.700 0.06 . 2 . . . . 96 VAL HG1 . 15088 1 919 . 1 1 96 96 VAL HG21 H 1 0.700 0.06 . 2 . . . . 96 VAL HG2 . 15088 1 920 . 1 1 96 96 VAL HG22 H 1 0.700 0.06 . 2 . . . . 96 VAL HG2 . 15088 1 921 . 1 1 96 96 VAL HG23 H 1 0.700 0.06 . 2 . . . . 96 VAL HG2 . 15088 1 922 . 1 1 96 96 VAL CA C 13 62.593 0.5 . 1 . . . . 96 VAL CA . 15088 1 923 . 1 1 96 96 VAL CB C 13 34.676 0.5 . 1 . . . . 96 VAL CB . 15088 1 924 . 1 1 96 96 VAL CG1 C 13 22.304 0.5 . 2 . . . . 96 VAL CG1 . 15088 1 925 . 1 1 96 96 VAL CG2 C 13 22.304 0.5 . 2 . . . . 96 VAL CG2 . 15088 1 926 . 1 1 96 96 VAL N N 15 117.579 0.2 . 1 . . . . 96 VAL N . 15088 1 927 . 1 1 97 97 TYR H H 1 9.171 0.03 . 1 . . . . 97 TYR H . 15088 1 928 . 1 1 97 97 TYR HA H 1 4.987 0.06 . 1 . . . . 97 TYR HA . 15088 1 929 . 1 1 97 97 TYR HB2 H 1 3.170 0.06 . 2 . . . . 97 TYR HB2 . 15088 1 930 . 1 1 97 97 TYR HB3 H 1 2.497 0.06 . 2 . . . . 97 TYR HB3 . 15088 1 931 . 1 1 97 97 TYR HD1 H 1 7.117 0.06 . 3 . . . . 97 TYR HD1 . 15088 1 932 . 1 1 97 97 TYR HD2 H 1 7.117 0.06 . 3 . . . . 97 TYR HD2 . 15088 1 933 . 1 1 97 97 TYR HE1 H 1 6.826 0.06 . 3 . . . . 97 TYR HE1 . 15088 1 934 . 1 1 97 97 TYR HE2 H 1 6.826 0.06 . 3 . . . . 97 TYR HE2 . 15088 1 935 . 1 1 97 97 TYR CA C 13 57.046 0.5 . 1 . . . . 97 TYR CA . 15088 1 936 . 1 1 97 97 TYR CB C 13 39.334 0.5 . 1 . . . . 97 TYR CB . 15088 1 937 . 1 1 97 97 TYR CD1 C 13 133.355 0.5 . 3 . . . . 97 TYR CD1 . 15088 1 938 . 1 1 97 97 TYR CD2 C 13 133.355 0.5 . 3 . . . . 97 TYR CD2 . 15088 1 939 . 1 1 97 97 TYR CE1 C 13 118.239 0.5 . 3 . . . . 97 TYR CE1 . 15088 1 940 . 1 1 97 97 TYR CE2 C 13 118.239 0.5 . 3 . . . . 97 TYR CE2 . 15088 1 941 . 1 1 97 97 TYR N N 15 129.228 0.2 . 1 . . . . 97 TYR N . 15088 1 942 . 1 1 98 98 ILE H H 1 8.739 0.03 . 1 . . . . 98 ILE H . 15088 1 943 . 1 1 98 98 ILE HA H 1 6.098 0.06 . 1 . . . . 98 ILE HA . 15088 1 944 . 1 1 98 98 ILE HB H 1 1.904 0.06 . 1 . . . . 98 ILE HB . 15088 1 945 . 1 1 98 98 ILE HD11 H 1 0.779 0.06 . 1 . . . . 98 ILE HD1 . 15088 1 946 . 1 1 98 98 ILE HD12 H 1 0.779 0.06 . 1 . . . . 98 ILE HD1 . 15088 1 947 . 1 1 98 98 ILE HD13 H 1 0.779 0.06 . 1 . . . . 98 ILE HD1 . 15088 1 948 . 1 1 98 98 ILE HG12 H 1 1.476 0.06 . 2 . . . . 98 ILE HG12 . 15088 1 949 . 1 1 98 98 ILE HG13 H 1 1.167 0.06 . 2 . . . . 98 ILE HG13 . 15088 1 950 . 1 1 98 98 ILE HG21 H 1 0.723 0.06 . 1 . . . . 98 ILE HG2 . 15088 1 951 . 1 1 98 98 ILE HG22 H 1 0.723 0.06 . 1 . . . . 98 ILE HG2 . 15088 1 952 . 1 1 98 98 ILE HG23 H 1 0.723 0.06 . 1 . . . . 98 ILE HG2 . 15088 1 953 . 1 1 98 98 ILE CA C 13 57.878 0.5 . 1 . . . . 98 ILE CA . 15088 1 954 . 1 1 98 98 ILE CB C 13 43.028 0.5 . 1 . . . . 98 ILE CB . 15088 1 955 . 1 1 98 98 ILE CD1 C 13 13.984 0.5 . 1 . . . . 98 ILE CD1 . 15088 1 956 . 1 1 98 98 ILE CG1 C 13 26.020 0.5 . 1 . . . . 98 ILE CG1 . 15088 1 957 . 1 1 98 98 ILE CG2 C 13 17.743 0.5 . 1 . . . . 98 ILE CG2 . 15088 1 958 . 1 1 98 98 ILE N N 15 112.588 0.2 . 1 . . . . 98 ILE N . 15088 1 959 . 1 1 99 99 ALA H H 1 8.867 0.03 . 1 . . . . 99 ALA H . 15088 1 960 . 1 1 99 99 ALA HA H 1 5.507 0.06 . 1 . . . . 99 ALA HA . 15088 1 961 . 1 1 99 99 ALA HB1 H 1 1.463 0.06 . 1 . . . . 99 ALA HB . 15088 1 962 . 1 1 99 99 ALA HB2 H 1 1.463 0.06 . 1 . . . . 99 ALA HB . 15088 1 963 . 1 1 99 99 ALA HB3 H 1 1.463 0.06 . 1 . . . . 99 ALA HB . 15088 1 964 . 1 1 99 99 ALA CA C 13 51.757 0.5 . 1 . . . . 99 ALA CA . 15088 1 965 . 1 1 99 99 ALA CB C 13 21.801 0.5 . 1 . . . . 99 ALA CB . 15088 1 966 . 1 1 99 99 ALA N N 15 124.370 0.2 . 1 . . . . 99 ALA N . 15088 1 967 . 1 1 100 100 VAL H H 1 9.706 0.03 . 1 . . . . 100 VAL H . 15088 1 968 . 1 1 100 100 VAL HA H 1 5.238 0.06 . 1 . . . . 100 VAL HA . 15088 1 969 . 1 1 100 100 VAL HB H 1 2.119 0.06 . 1 . . . . 100 VAL HB . 15088 1 970 . 1 1 100 100 VAL HG11 H 1 0.917 0.06 . 2 . . . . 100 VAL HG1 . 15088 1 971 . 1 1 100 100 VAL HG12 H 1 0.917 0.06 . 2 . . . . 100 VAL HG1 . 15088 1 972 . 1 1 100 100 VAL HG13 H 1 0.917 0.06 . 2 . . . . 100 VAL HG1 . 15088 1 973 . 1 1 100 100 VAL HG21 H 1 0.946 0.06 . 2 . . . . 100 VAL HG2 . 15088 1 974 . 1 1 100 100 VAL HG22 H 1 0.946 0.06 . 2 . . . . 100 VAL HG2 . 15088 1 975 . 1 1 100 100 VAL HG23 H 1 0.946 0.06 . 2 . . . . 100 VAL HG2 . 15088 1 976 . 1 1 100 100 VAL CA C 13 60.077 0.5 . 1 . . . . 100 VAL CA . 15088 1 977 . 1 1 100 100 VAL CB C 13 34.166 0.5 . 1 . . . . 100 VAL CB . 15088 1 978 . 1 1 100 100 VAL CG1 C 13 21.801 0.5 . 2 . . . . 100 VAL CG1 . 15088 1 979 . 1 1 100 100 VAL CG2 C 13 21.801 0.5 . 2 . . . . 100 VAL CG2 . 15088 1 980 . 1 1 100 100 VAL N N 15 122.354 0.2 . 1 . . . . 100 VAL N . 15088 1 981 . 1 1 101 101 TYR H H 1 8.833 0.03 . 1 . . . . 101 TYR H . 15088 1 982 . 1 1 101 101 TYR HA H 1 5.529 0.06 . 1 . . . . 101 TYR HA . 15088 1 983 . 1 1 101 101 TYR HB2 H 1 2.269 0.06 . 2 . . . . 101 TYR HB2 . 15088 1 984 . 1 1 101 101 TYR HB3 H 1 2.096 0.06 . 2 . . . . 101 TYR HB3 . 15088 1 985 . 1 1 101 101 TYR CA C 13 54.118 0.5 . 1 . . . . 101 TYR CA . 15088 1 986 . 1 1 101 101 TYR CB C 13 37.597 0.5 . 1 . . . . 101 TYR CB . 15088 1 987 . 1 1 101 101 TYR N N 15 123.413 0.2 . 1 . . . . 101 TYR N . 15088 1 988 . 1 1 102 102 PRO HA H 1 4.198 0.06 . 1 . . . . 102 PRO HA . 15088 1 989 . 1 1 102 102 PRO HB2 H 1 2.220 0.06 . 2 . . . . 102 PRO HB2 . 15088 1 990 . 1 1 102 102 PRO HB3 H 1 1.849 0.06 . 2 . . . . 102 PRO HB3 . 15088 1 991 . 1 1 102 102 PRO HD2 H 1 3.789 0.06 . 2 . . . . 102 PRO HD2 . 15088 1 992 . 1 1 102 102 PRO HD3 H 1 4.110 0.06 . 2 . . . . 102 PRO HD3 . 15088 1 993 . 1 1 102 102 PRO CA C 13 61.976 0.5 . 1 . . . . 102 PRO CA . 15088 1 994 . 1 1 102 102 PRO CB C 13 31.325 0.5 . 1 . . . . 102 PRO CB . 15088 1 995 . 1 1 102 102 PRO CD C 13 50.890 0.5 . 1 . . . . 102 PRO CD . 15088 1 996 . 1 1 103 103 THR H H 1 8.740 0.03 . 1 . . . . 103 THR H . 15088 1 997 . 1 1 103 103 THR HA H 1 3.983 0.06 . 1 . . . . 103 THR HA . 15088 1 998 . 1 1 103 103 THR HB H 1 3.601 0.06 . 1 . . . . 103 THR HB . 15088 1 999 . 1 1 103 103 THR HG21 H 1 1.161 0.06 . 1 . . . . 103 THR HG2 . 15088 1 1000 . 1 1 103 103 THR HG22 H 1 1.161 0.06 . 1 . . . . 103 THR HG2 . 15088 1 1001 . 1 1 103 103 THR HG23 H 1 1.161 0.06 . 1 . . . . 103 THR HG2 . 15088 1 1002 . 1 1 103 103 THR CA C 13 64.447 0.5 . 1 . . . . 103 THR CA . 15088 1 1003 . 1 1 103 103 THR CB C 13 68.595 0.5 . 1 . . . . 103 THR CB . 15088 1 1004 . 1 1 103 103 THR CG2 C 13 22.103 0.5 . 1 . . . . 103 THR CG2 . 15088 1 1005 . 1 1 103 103 THR N N 15 122.463 0.2 . 1 . . . . 103 THR N . 15088 1 1006 . 1 1 104 104 GLN H H 1 8.672 0.03 . 1 . . . . 104 GLN H . 15088 1 1007 . 1 1 104 104 GLN HA H 1 4.309 0.06 . 1 . . . . 104 GLN HA . 15088 1 1008 . 1 1 104 104 GLN HB2 H 1 2.343 0.06 . 2 . . . . 104 GLN HB2 . 15088 1 1009 . 1 1 104 104 GLN HB3 H 1 2.343 0.06 . 2 . . . . 104 GLN HB3 . 15088 1 1010 . 1 1 104 104 GLN CA C 13 54.989 0.5 . 1 . . . . 104 GLN CA . 15088 1 1011 . 1 1 104 104 GLN CB C 13 29.277 0.5 . 1 . . . . 104 GLN CB . 15088 1 1012 . 1 1 104 104 GLN N N 15 123.452 0.2 . 1 . . . . 104 GLN N . 15088 1 1013 . 1 1 105 105 ARG H H 1 8.407 0.03 . 1 . . . . 105 ARG H . 15088 1 1014 . 1 1 105 105 ARG HA H 1 4.328 0.06 . 1 . . . . 105 ARG HA . 15088 1 1015 . 1 1 105 105 ARG HB2 H 1 1.521 0.06 . 2 . . . . 105 ARG HB2 . 15088 1 1016 . 1 1 105 105 ARG HB3 H 1 1.521 0.06 . 2 . . . . 105 ARG HB3 . 15088 1 1017 . 1 1 105 105 ARG CA C 13 55.125 0.5 . 1 . . . . 105 ARG CA . 15088 1 1018 . 1 1 105 105 ARG CB C 13 31.971 0.5 . 1 . . . . 105 ARG CB . 15088 1 1019 . 1 1 105 105 ARG N N 15 122.473 0.2 . 1 . . . . 105 ARG N . 15088 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 15088 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 9 '2D 1H-15N HSQC' . . . 15088 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $Felix . . 15088 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 4 4 THR H H 1 . . 1 1 4 4 THR N N 15 . 1.5 . . 2.0 . . . . . . . . . . . 15088 1 2 DNH . 1 1 6 6 TRP H H 1 . . 1 1 6 6 TRP N N 15 . 1.0 . . 2.0 . . . . . . . . . . . 15088 1 3 DNH . 1 1 7 7 GLY H H 1 . . 1 1 7 7 GLY N N 15 . -3.2 . . 2.0 . . . . . . . . . . . 15088 1 4 DNH . 1 1 8 8 LEU H H 1 . . 1 1 8 8 LEU N N 15 . -5.2 . . 2.0 . . . . . . . . . . . 15088 1 5 DNH . 1 1 9 9 GLN H H 1 . . 1 1 9 9 GLN N N 15 . 0.4 . . 2.0 . . . . . . . . . . . 15088 1 6 DNH . 1 1 10 10 ARG H H 1 . . 1 1 10 10 ARG N N 15 . 4.7 . . 2.0 . . . . . . . . . . . 15088 1 7 DNH . 1 1 11 11 ASP H H 1 . . 1 1 11 11 ASP N N 15 . 3.6 . . 2.0 . . . . . . . . . . . 15088 1 8 DNH . 1 1 12 12 ILE H H 1 . . 1 1 12 12 ILE N N 15 . 1.0 . . 2.0 . . . . . . . . . . . 15088 1 9 DNH . 1 1 15 15 ARG H H 1 . . 1 1 15 15 ARG N N 15 . -1.3 . . 2.0 . . . . . . . . . . . 15088 1 10 DNH . 1 1 16 16 LEU H H 1 . . 1 1 16 16 LEU N N 15 . -1.9 . . 2.0 . . . . . . . . . . . 15088 1 11 DNH . 1 1 17 17 GLY H H 1 . . 1 1 17 17 GLY N N 15 . 3.4 . . 2.0 . . . . . . . . . . . 15088 1 12 DNH . 1 1 18 18 ALA H H 1 . . 1 1 18 18 ALA N N 15 . 4.2 . . 2.0 . . . . . . . . . . . 15088 1 13 DNH . 1 1 20 20 LEU H H 1 . . 1 1 20 20 LEU N N 15 . 3.5 . . 2.0 . . . . . . . . . . . 15088 1 14 DNH . 1 1 21 21 VAL H H 1 . . 1 1 21 21 VAL N N 15 . 1.8 . . 2.0 . . . . . . . . . . . 15088 1 15 DNH . 1 1 22 22 GLN H H 1 . . 1 1 22 22 GLN N N 15 . -4.9 . . 2.0 . . . . . . . . . . . 15088 1 16 DNH . 1 1 23 23 GLU H H 1 . . 1 1 23 23 GLU N N 15 . -8.1 . . 2.0 . . . . . . . . . . . 15088 1 17 DNH . 1 1 24 24 GLY H H 1 . . 1 1 24 24 GLY N N 15 . -6.3 . . 2.0 . . . . . . . . . . . 15088 1 18 DNH . 1 1 25 25 ASN H H 1 . . 1 1 25 25 ASN N N 15 . 3.9 . . 2.0 . . . . . . . . . . . 15088 1 19 DNH . 1 1 27 27 LEU H H 1 . . 1 1 27 27 LEU N N 15 . -9.6 . . 2.0 . . . . . . . . . . . 15088 1 20 DNH . 1 1 28 28 HIS H H 1 . . 1 1 28 28 HIS N N 15 . -5.6 . . 2.0 . . . . . . . . . . . 15088 1 21 DNH . 1 1 29 29 TYR H H 1 . . 1 1 29 29 TYR N N 15 . -1.3 . . 2.0 . . . . . . . . . . . 15088 1 22 DNH . 1 1 30 30 LEU H H 1 . . 1 1 30 30 LEU N N 15 . 2.2 . . 2.0 . . . . . . . . . . . 15088 1 23 DNH . 1 1 31 31 ALA H H 1 . . 1 1 31 31 ALA N N 15 . 2.8 . . 2.0 . . . . . . . . . . . 15088 1 24 DNH . 1 1 32 32 ASP H H 1 . . 1 1 32 32 ASP N N 15 . 4.7 . . 2.0 . . . . . . . . . . . 15088 1 25 DNH . 1 1 33 33 ARG H H 1 . . 1 1 33 33 ARG N N 15 . -3.7 . . 2.0 . . . . . . . . . . . 15088 1 26 DNH . 1 1 34 34 ALA H H 1 . . 1 1 34 34 ALA N N 15 . 3.5 . . 2.0 . . . . . . . . . . . 15088 1 27 DNH . 1 1 35 35 SER H H 1 . . 1 1 35 35 SER N N 15 . 1.6 . . 2.0 . . . . . . . . . . . 15088 1 28 DNH . 1 1 36 36 ILE H H 1 . . 1 1 36 36 ILE N N 15 . 0.8 . . 2.0 . . . . . . . . . . . 15088 1 29 DNH . 1 1 37 37 THR H H 1 . . 1 1 37 37 THR N N 15 . -2.9 . . 2.0 . . . . . . . . . . . 15088 1 30 DNH . 1 1 38 38 GLY H H 1 . . 1 1 38 38 GLY N N 15 . -4.4 . . 2.0 . . . . . . . . . . . 15088 1 31 DNH . 1 1 40 40 PHE H H 1 . . 1 1 40 40 PHE N N 15 . -0.3 . . 2.0 . . . . . . . . . . . 15088 1 32 DNH . 1 1 45 45 CYS H H 1 . . 1 1 45 45 CYS N N 15 . 4.2 . . 2.0 . . . . . . . . . . . 15088 1 33 DNH . 1 1 47 47 LYS H H 1 . . 1 1 47 47 LYS N N 15 . 3.5 . . 2.0 . . . . . . . . . . . 15088 1 34 DNH . 1 1 48 48 LEU H H 1 . . 1 1 48 48 LEU N N 15 . 4.6 . . 2.0 . . . . . . . . . . . 15088 1 35 DNH . 1 1 49 49 ASP H H 1 . . 1 1 49 49 ASP N N 15 . 3.2 . . 2.0 . . . . . . . . . . . 15088 1 36 DNH . 1 1 50 50 VAL H H 1 . . 1 1 50 50 VAL N N 15 . 3.9 . . 2.0 . . . . . . . . . . . 15088 1 37 DNH . 1 1 51 51 VAL H H 1 . . 1 1 51 51 VAL N N 15 . 4.4 . . 2.0 . . . . . . . . . . . 15088 1 38 DNH . 1 1 54 54 HIS H H 1 . . 1 1 54 54 HIS N N 15 . 4.3 . . 2.0 . . . . . . . . . . . 15088 1 39 DNH . 1 1 58 58 GLN H H 1 . . 1 1 58 58 GLN N N 15 . 4.3 . . 2.0 . . . . . . . . . . . 15088 1 40 DNH . 1 1 59 59 ILE H H 1 . . 1 1 59 59 ILE N N 15 . 3.9 . . 2.0 . . . . . . . . . . . 15088 1 41 DNH . 1 1 60 60 GLU H H 1 . . 1 1 60 60 GLU N N 15 . 2.6 . . 2.0 . . . . . . . . . . . 15088 1 42 DNH . 1 1 61 61 SER H H 1 . . 1 1 61 61 SER N N 15 . 1.8 . . 2.0 . . . . . . . . . . . 15088 1 43 DNH . 1 1 62 62 MET H H 1 . . 1 1 62 62 MET N N 15 . 4.3 . . 2.0 . . . . . . . . . . . 15088 1 44 DNH . 1 1 64 64 THR H H 1 . . 1 1 64 64 THR N N 15 . 1.1 . . 2.0 . . . . . . . . . . . 15088 1 45 DNH . 1 1 65 65 THR H H 1 . . 1 1 65 65 THR N N 15 . 4.7 . . 2.0 . . . . . . . . . . . 15088 1 46 DNH . 1 1 66 66 GLY H H 1 . . 1 1 66 66 GLY N N 15 . 5.8 . . 2.0 . . . . . . . . . . . 15088 1 47 DNH . 1 1 67 67 GLU H H 1 . . 1 1 67 67 GLU N N 15 . -0.5 . . 2.0 . . . . . . . . . . . 15088 1 48 DNH . 1 1 68 68 LEU H H 1 . . 1 1 68 68 LEU N N 15 . 4.0 . . 2.0 . . . . . . . . . . . 15088 1 49 DNH . 1 1 69 69 ASN H H 1 . . 1 1 69 69 ASN N N 15 . 3.6 . . 2.0 . . . . . . . . . . . 15088 1 50 DNH . 1 1 71 71 ARG H H 1 . . 1 1 71 71 ARG N N 15 . -2.5 . . 2.0 . . . . . . . . . . . 15088 1 51 DNH . 1 1 72 72 HIS H H 1 . . 1 1 72 72 HIS N N 15 . -1.8 . . 2.0 . . . . . . . . . . . 15088 1 52 DNH . 1 1 73 73 ALA H H 1 . . 1 1 73 73 ALA N N 15 . -4.6 . . 2.0 . . . . . . . . . . . 15088 1 53 DNH . 1 1 74 74 GLN H H 1 . . 1 1 74 74 GLN N N 15 . 4.7 . . 2.0 . . . . . . . . . . . 15088 1 54 DNH . 1 1 75 75 CYS H H 1 . . 1 1 75 75 CYS N N 15 . 2.2 . . 2.0 . . . . . . . . . . . 15088 1 55 DNH . 1 1 76 76 VAL H H 1 . . 1 1 76 76 VAL N N 15 . 0.8 . . 2.0 . . . . . . . . . . . 15088 1 56 DNH . 1 1 77 77 THR H H 1 . . 1 1 77 77 THR N N 15 . 2.7 . . 2.0 . . . . . . . . . . . 15088 1 57 DNH . 1 1 78 78 LEU H H 1 . . 1 1 78 78 LEU N N 15 . -3.1 . . 2.0 . . . . . . . . . . . 15088 1 58 DNH . 1 1 79 79 TYR H H 1 . . 1 1 79 79 TYR N N 15 . 2.1 . . 2.0 . . . . . . . . . . . 15088 1 59 DNH . 1 1 80 80 HIS H H 1 . . 1 1 80 80 HIS N N 15 . 0.3 . . 2.0 . . . . . . . . . . . 15088 1 60 DNH . 1 1 81 81 ASN H H 1 . . 1 1 81 81 ASN N N 15 . -2.2 . . 2.0 . . . . . . . . . . . 15088 1 61 DNH . 1 1 82 82 GLY H H 1 . . 1 1 82 82 GLY N N 15 . 5.3 . . 2.0 . . . . . . . . . . . 15088 1 62 DNH . 1 1 83 83 PHE H H 1 . . 1 1 83 83 PHE N N 15 . 2.0 . . 2.0 . . . . . . . . . . . 15088 1 63 DNH . 1 1 84 84 THR H H 1 . . 1 1 84 84 THR N N 15 . 1.9 . . 2.0 . . . . . . . . . . . 15088 1 64 DNH . 1 1 85 85 CYS H H 1 . . 1 1 85 85 CYS N N 15 . -0.8 . . 2.0 . . . . . . . . . . . 15088 1 65 DNH . 1 1 86 86 GLU H H 1 . . 1 1 86 86 GLU N N 15 . 1.2 . . 2.0 . . . . . . . . . . . 15088 1 66 DNH . 1 1 87 87 ALA H H 1 . . 1 1 87 87 ALA N N 15 . 0.9 . . 2.0 . . . . . . . . . . . 15088 1 67 DNH . 1 1 88 88 ASP H H 1 . . 1 1 88 88 ASP N N 15 . 2.8 . . 2.0 . . . . . . . . . . . 15088 1 68 DNH . 1 1 89 89 THR H H 1 . . 1 1 89 89 THR N N 15 . 2.4 . . 2.0 . . . . . . . . . . . 15088 1 69 DNH . 1 1 90 90 LEU H H 1 . . 1 1 90 90 LEU N N 15 . -5.8 . . 2.0 . . . . . . . . . . . 15088 1 70 DNH . 1 1 91 91 GLY H H 1 . . 1 1 91 91 GLY N N 15 . -7.4 . . 2.0 . . . . . . . . . . . 15088 1 71 DNH . 1 1 92 92 SER H H 1 . . 1 1 92 92 SER N N 15 . -4.4 . . 2.0 . . . . . . . . . . . 15088 1 72 DNH . 1 1 94 94 GLY H H 1 . . 1 1 94 94 GLY N N 15 . -2.3 . . 2.0 . . . . . . . . . . . 15088 1 73 DNH . 1 1 95 95 TYR H H 1 . . 1 1 95 95 TYR N N 15 . 2.7 . . 2.0 . . . . . . . . . . . 15088 1 74 DNH . 1 1 97 97 TYR H H 1 . . 1 1 97 97 TYR N N 15 . 4.6 . . 2.0 . . . . . . . . . . . 15088 1 75 DNH . 1 1 98 98 ILE H H 1 . . 1 1 98 98 ILE N N 15 . 1.9 . . 2.0 . . . . . . . . . . . 15088 1 76 DNH . 1 1 99 99 ALA H H 1 . . 1 1 99 99 ALA N N 15 . -0.3 . . 2.0 . . . . . . . . . . . 15088 1 77 DNH . 1 1 100 100 VAL H H 1 . . 1 1 100 100 VAL N N 15 . -1.5 . . 2.0 . . . . . . . . . . . 15088 1 78 DNH . 1 1 101 101 TYR H H 1 . . 1 1 101 101 TYR N N 15 . 1.3 . . 2.0 . . . . . . . . . . . 15088 1 79 DNH . 1 1 103 103 THR H H 1 . . 1 1 103 103 THR N N 15 . 0.1 . . 2.0 . . . . . . . . . . . 15088 1 80 DNH . 1 1 104 104 GLN H H 1 . . 1 1 104 104 GLN N N 15 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 81 DHNCO . 1 1 4 4 THR H H 1 . . 1 1 3 3 ASN C C 13 . -2.4 . . 2.0 . . . . . . . . . . . 15088 1 82 DHNCO . 1 1 6 6 TRP H H 1 . . 1 1 5 5 THR C C 13 . -0.6 . . 2.0 . . . . . . . . . . . 15088 1 83 DHNCO . 1 1 7 7 GLY H H 1 . . 1 1 6 6 TRP C C 13 . -0.0 . . 2.0 . . . . . . . . . . . 15088 1 84 DHNCO . 1 1 8 8 LEU H H 1 . . 1 1 7 7 GLY C C 13 . 2.4 . . 2.0 . . . . . . . . . . . 15088 1 85 DHNCO . 1 1 9 9 GLN H H 1 . . 1 1 8 8 LEU C C 13 . 1.2 . . 2.0 . . . . . . . . . . . 15088 1 86 DHNCO . 1 1 10 10 ARG H H 1 . . 1 1 9 9 GLN C C 13 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 87 DHNCO . 1 1 11 11 ASP H H 1 . . 1 1 10 10 ARG C C 13 . -2.4 . . 2.0 . . . . . . . . . . . 15088 1 88 DHNCO . 1 1 12 12 ILE H H 1 . . 1 1 11 11 ASP C C 13 . -2.4 . . 2.0 . . . . . . . . . . . 15088 1 89 DHNCO . 1 1 15 15 ARG H H 1 . . 1 1 14 14 PRO C C 13 . 1.2 . . 2.0 . . . . . . . . . . . 15088 1 90 DHNCO . 1 1 16 16 LEU H H 1 . . 1 1 15 15 ARG C C 13 . -1.8 . . 2.0 . . . . . . . . . . . 15088 1 91 DHNCO . 1 1 17 17 GLY H H 1 . . 1 1 16 16 LEU C C 13 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 92 DHNCO . 1 1 18 18 ALA H H 1 . . 1 1 17 17 GLY C C 13 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 93 DHNCO . 1 1 20 20 LEU H H 1 . . 1 1 19 19 ARG C C 13 . -0.6 . . 2.0 . . . . . . . . . . . 15088 1 94 DHNCO . 1 1 21 21 VAL H H 1 . . 1 1 20 20 LEU C C 13 . -0.0 . . 2.0 . . . . . . . . . . . 15088 1 95 DHNCO . 1 1 22 22 GLN H H 1 . . 1 1 21 21 VAL C C 13 . -3.0 . . 2.0 . . . . . . . . . . . 15088 1 96 DHNCO . 1 1 23 23 GLU H H 1 . . 1 1 22 22 GLN C C 13 . 3.6 . . 2.0 . . . . . . . . . . . 15088 1 97 DHNCO . 1 1 24 24 GLY H H 1 . . 1 1 23 23 GLU C C 13 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 98 DHNCO . 1 1 25 25 ASN H H 1 . . 1 1 24 24 GLY C C 13 . -0.0 . . 2.0 . . . . . . . . . . . 15088 1 99 DHNCO . 1 1 27 27 LEU H H 1 . . 1 1 26 26 GLN C C 13 . 1.8 . . 2.0 . . . . . . . . . . . 15088 1 100 DHNCO . 1 1 29 29 TYR H H 1 . . 1 1 28 28 HIS C C 13 . -0.6 . . 2.0 . . . . . . . . . . . 15088 1 101 DHNCO . 1 1 30 30 LEU H H 1 . . 1 1 29 29 TYR C C 13 . -1.8 . . 2.0 . . . . . . . . . . . 15088 1 102 DHNCO . 1 1 31 31 ALA H H 1 . . 1 1 30 30 LEU C C 13 . -0.6 . . 2.0 . . . . . . . . . . . 15088 1 103 DHNCO . 1 1 32 32 ASP H H 1 . . 1 1 31 31 ALA C C 13 . 1.2 . . 2.0 . . . . . . . . . . . 15088 1 104 DHNCO . 1 1 33 33 ARG H H 1 . . 1 1 32 32 ASP C C 13 . 1.8 . . 2.0 . . . . . . . . . . . 15088 1 105 DHNCO . 1 1 34 34 ALA H H 1 . . 1 1 33 33 ARG C C 13 . -1.2 . . 2.0 . . . . . . . . . . . 15088 1 106 DHNCO . 1 1 35 35 SER H H 1 . . 1 1 34 34 ALA C C 13 . 0.0 . . 2.0 . . . . . . . . . . . 15088 1 107 DHNCO . 1 1 36 36 ILE H H 1 . . 1 1 35 35 SER C C 13 . -1.8 . . 2.0 . . . . . . . . . . . 15088 1 108 DHNCO . 1 1 37 37 THR H H 1 . . 1 1 36 36 ILE C C 13 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 109 DHNCO . 1 1 38 38 GLY H H 1 . . 1 1 37 37 THR C C 13 . -1.2 . . 2.0 . . . . . . . . . . . 15088 1 110 DHNCO . 1 1 39 39 LYS H H 1 . . 1 1 38 38 GLY C C 13 . 2.4 . . 2.0 . . . . . . . . . . . 15088 1 111 DHNCO . 1 1 40 40 PHE H H 1 . . 1 1 39 39 LYS C C 13 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 112 DHNCO . 1 1 41 41 SER H H 1 . . 1 1 40 40 PHE C C 13 . 5.4 . . 2.0 . . . . . . . . . . . 15088 1 113 DHNCO . 1 1 42 42 ASP H H 1 . . 1 1 41 41 SER C C 13 . -1.2 . . 2.0 . . . . . . . . . . . 15088 1 114 DHNCO . 1 1 43 43 ALA H H 1 . . 1 1 42 42 ASP C C 13 . 1.2 . . 2.0 . . . . . . . . . . . 15088 1 115 DHNCO . 1 1 44 44 GLU H H 1 . . 1 1 43 43 ALA C C 13 . 3.0 . . 2.0 . . . . . . . . . . . 15088 1 116 DHNCO . 1 1 45 45 CYS H H 1 . . 1 1 44 44 GLU C C 13 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 117 DHNCO . 1 1 47 47 LYS H H 1 . . 1 1 46 46 PRO C C 13 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 118 DHNCO . 1 1 48 48 LEU H H 1 . . 1 1 47 47 LYS C C 13 . 3.6 . . 2.0 . . . . . . . . . . . 15088 1 119 DHNCO . 1 1 49 49 ASP H H 1 . . 1 1 48 48 LEU C C 13 . -1.2 . . 2.0 . . . . . . . . . . . 15088 1 120 DHNCO . 1 1 50 50 VAL H H 1 . . 1 1 49 49 ASP C C 13 . 2.4 . . 2.0 . . . . . . . . . . . 15088 1 121 DHNCO . 1 1 51 51 VAL H H 1 . . 1 1 50 50 VAL C C 13 . -2.4 . . 2.0 . . . . . . . . . . . 15088 1 122 DHNCO . 1 1 54 54 HIS H H 1 . . 1 1 53 53 PRO C C 13 . 3.0 . . 2.0 . . . . . . . . . . . 15088 1 123 DHNCO . 1 1 57 57 SER H H 1 . . 1 1 56 56 ILE C C 13 . 3.6 . . 2.0 . . . . . . . . . . . 15088 1 124 DHNCO . 1 1 58 58 GLN H H 1 . . 1 1 57 57 SER C C 13 . -1.2 . . 2.0 . . . . . . . . . . . 15088 1 125 DHNCO . 1 1 59 59 ILE H H 1 . . 1 1 58 58 GLN C C 13 . -1.8 . . 2.0 . . . . . . . . . . . 15088 1 126 DHNCO . 1 1 60 60 GLU H H 1 . . 1 1 59 59 ILE C C 13 . -1.2 . . 2.0 . . . . . . . . . . . 15088 1 127 DHNCO . 1 1 61 61 SER H H 1 . . 1 1 60 60 GLU C C 13 . 1.2 . . 2.0 . . . . . . . . . . . 15088 1 128 DHNCO . 1 1 62 62 MET H H 1 . . 1 1 61 61 SER C C 13 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 129 DHNCO . 1 1 64 64 THR H H 1 . . 1 1 63 63 LEU C C 13 . 1.8 . . 2.0 . . . . . . . . . . . 15088 1 130 DHNCO . 1 1 65 65 THR H H 1 . . 1 1 64 64 THR C C 13 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 131 DHNCO . 1 1 66 66 GLY H H 1 . . 1 1 65 65 THR C C 13 . -0.6 . . 2.0 . . . . . . . . . . . 15088 1 132 DHNCO . 1 1 67 67 GLU H H 1 . . 1 1 66 66 GLY C C 13 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 133 DHNCO . 1 1 68 68 LEU H H 1 . . 1 1 67 67 GLU C C 13 . -0.6 . . 2.0 . . . . . . . . . . . 15088 1 134 DHNCO . 1 1 69 69 ASN H H 1 . . 1 1 68 68 LEU C C 13 . 1.8 . . 2.0 . . . . . . . . . . . 15088 1 135 DHNCO . 1 1 71 71 ARG H H 1 . . 1 1 70 70 PRO C C 13 . -0.6 . . 2.0 . . . . . . . . . . . 15088 1 136 DHNCO . 1 1 72 72 HIS H H 1 . . 1 1 71 71 ARG C C 13 . 1.8 . . 2.0 . . . . . . . . . . . 15088 1 137 DHNCO . 1 1 74 74 GLN H H 1 . . 1 1 73 73 ALA C C 13 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 138 DHNCO . 1 1 76 76 VAL H H 1 . . 1 1 75 75 CYS C C 13 . -1.8 . . 2.0 . . . . . . . . . . . 15088 1 139 DHNCO . 1 1 77 77 THR H H 1 . . 1 1 76 76 VAL C C 13 . 1.2 . . 2.0 . . . . . . . . . . . 15088 1 140 DHNCO . 1 1 78 78 LEU H H 1 . . 1 1 77 77 THR C C 13 . -1.2 . . 2.0 . . . . . . . . . . . 15088 1 141 DHNCO . 1 1 79 79 TYR H H 1 . . 1 1 78 78 LEU C C 13 . 1.2 . . 2.0 . . . . . . . . . . . 15088 1 142 DHNCO . 1 1 80 80 HIS H H 1 . . 1 1 79 79 TYR C C 13 . -2.4 . . 2.0 . . . . . . . . . . . 15088 1 143 DHNCO . 1 1 81 81 ASN H H 1 . . 1 1 80 80 HIS C C 13 . 1.2 . . 2.0 . . . . . . . . . . . 15088 1 144 DHNCO . 1 1 82 82 GLY H H 1 . . 1 1 81 81 ASN C C 13 . -1.2 . . 2.0 . . . . . . . . . . . 15088 1 145 DHNCO . 1 1 83 83 PHE H H 1 . . 1 1 82 82 GLY C C 13 . -0.6 . . 2.0 . . . . . . . . . . . 15088 1 146 DHNCO . 1 1 84 84 THR H H 1 . . 1 1 83 83 PHE C C 13 . 1.2 . . 2.0 . . . . . . . . . . . 15088 1 147 DHNCO . 1 1 85 85 CYS H H 1 . . 1 1 84 84 THR C C 13 . -1.8 . . 2.0 . . . . . . . . . . . 15088 1 148 DHNCO . 1 1 86 86 GLU H H 1 . . 1 1 85 85 CYS C C 13 . 1.2 . . 2.0 . . . . . . . . . . . 15088 1 149 DHNCO . 1 1 87 87 ALA H H 1 . . 1 1 86 86 GLU C C 13 . -1.8 . . 2.0 . . . . . . . . . . . 15088 1 150 DHNCO . 1 1 88 88 ASP H H 1 . . 1 1 87 87 ALA C C 13 . 3.6 . . 2.0 . . . . . . . . . . . 15088 1 151 DHNCO . 1 1 89 89 THR H H 1 . . 1 1 88 88 ASP C C 13 . -0.0 . . 2.0 . . . . . . . . . . . 15088 1 152 DHNCO . 1 1 90 90 LEU H H 1 . . 1 1 89 89 THR C C 13 . 1.2 . . 2.0 . . . . . . . . . . . 15088 1 153 DHNCO . 1 1 91 91 GLY H H 1 . . 1 1 90 90 LEU C C 13 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 154 DHNCO . 1 1 92 92 SER H H 1 . . 1 1 91 91 GLY C C 13 . 1.8 . . 2.0 . . . . . . . . . . . 15088 1 155 DHNCO . 1 1 94 94 GLY H H 1 . . 1 1 93 93 CYS C C 13 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 156 DHNCO . 1 1 95 95 TYR H H 1 . . 1 1 94 94 GLY C C 13 . -1.8 . . 2.0 . . . . . . . . . . . 15088 1 157 DHNCO . 1 1 96 96 VAL H H 1 . . 1 1 95 95 TYR C C 13 . -0.0 . . 2.0 . . . . . . . . . . . 15088 1 158 DHNCO . 1 1 97 97 TYR H H 1 . . 1 1 96 96 VAL C C 13 . -1.2 . . 2.0 . . . . . . . . . . . 15088 1 159 DHNCO . 1 1 98 98 ILE H H 1 . . 1 1 97 97 TYR C C 13 . 0.0 . . 2.0 . . . . . . . . . . . 15088 1 160 DHNCO . 1 1 99 99 ALA H H 1 . . 1 1 98 98 ILE C C 13 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 161 DHNCO . 1 1 100 100 VAL H H 1 . . 1 1 99 99 ALA C C 13 . -2.0 . . 2.0 . . . . . . . . . . . 15088 1 162 DHNCO . 1 1 101 101 TYR H H 1 . . 1 1 100 100 VAL C C 13 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 163 DHNCO . 1 1 103 103 THR H H 1 . . 1 1 102 102 PRO C C 13 . 0.6 . . 2.0 . . . . . . . . . . . 15088 1 164 DHNCO . 1 1 104 104 GLN H H 1 . . 1 1 103 103 THR C C 13 . 1.2 . . 2.0 . . . . . . . . . . . 15088 1 165 DCAHA . 1 1 3 3 ASN HA H 1 . . 1 1 3 3 ASN CA C 13 . 0.6 . . 5.0 . . . . . . . . . . . 15088 1 166 DCAHA . 1 1 4 4 THR HA H 1 . . 1 1 4 4 THR CA C 13 . 0.9 . . 5.0 . . . . . . . . . . . 15088 1 167 DCAHA . 1 1 5 5 THR HA H 1 . . 1 1 5 5 THR CA C 13 . -1.5 . . 5.0 . . . . . . . . . . . 15088 1 168 DCAHA . 1 1 6 6 TRP HA H 1 . . 1 1 6 6 TRP CA C 13 . 10.6 . . 5.0 . . . . . . . . . . . 15088 1 169 DCAHA . 1 1 8 8 LEU HA H 1 . . 1 1 8 8 LEU CA C 13 . 17.8 . . 5.0 . . . . . . . . . . . 15088 1 170 DCAHA . 1 1 9 9 GLN HA H 1 . . 1 1 9 9 GLN CA C 13 . -9.2 . . 5.0 . . . . . . . . . . . 15088 1 171 DCAHA . 1 1 10 10 ARG HA H 1 . . 1 1 10 10 ARG CA C 13 . 1.5 . . 5.0 . . . . . . . . . . . 15088 1 172 DCAHA . 1 1 11 11 ASP HA H 1 . . 1 1 11 11 ASP CA C 13 . 3.2 . . 5.0 . . . . . . . . . . . 15088 1 173 DCAHA . 1 1 14 14 PRO HA H 1 . . 1 1 14 14 PRO CA C 13 . 12.8 . . 5.0 . . . . . . . . . . . 15088 1 174 DCAHA . 1 1 15 15 ARG HA H 1 . . 1 1 15 15 ARG CA C 13 . 13.0 . . 5.0 . . . . . . . . . . . 15088 1 175 DCAHA . 1 1 16 16 LEU HA H 1 . . 1 1 16 16 LEU CA C 13 . 6.2 . . 5.0 . . . . . . . . . . . 15088 1 176 DCAHA . 1 1 18 18 ALA HA H 1 . . 1 1 18 18 ALA CA C 13 . -5.7 . . 5.0 . . . . . . . . . . . 15088 1 177 DCAHA . 1 1 19 19 ARG HA H 1 . . 1 1 19 19 ARG CA C 13 . -1.5 . . 5.0 . . . . . . . . . . . 15088 1 178 DCAHA . 1 1 21 21 VAL HA H 1 . . 1 1 21 21 VAL CA C 13 . -5.0 . . 5.0 . . . . . . . . . . . 15088 1 179 DCAHA . 1 1 22 22 GLN HA H 1 . . 1 1 22 22 GLN CA C 13 . 20.7 . . 5.0 . . . . . . . . . . . 15088 1 180 DCAHA . 1 1 23 23 GLU HA H 1 . . 1 1 23 23 GLU CA C 13 . 9.2 . . 5.0 . . . . . . . . . . . 15088 1 181 DCAHA . 1 1 25 25 ASN HA H 1 . . 1 1 25 25 ASN CA C 13 . -6.9 . . 5.0 . . . . . . . . . . . 15088 1 182 DCAHA . 1 1 26 26 GLN HA H 1 . . 1 1 26 26 GLN CA C 13 . 9.9 . . 5.0 . . . . . . . . . . . 15088 1 183 DCAHA . 1 1 27 27 LEU HA H 1 . . 1 1 27 27 LEU CA C 13 . 18.5 . . 5.0 . . . . . . . . . . . 15088 1 184 DCAHA . 1 1 28 28 HIS HA H 1 . . 1 1 28 28 HIS CA C 13 . 3.6 . . 5.0 . . . . . . . . . . . 15088 1 185 DCAHA . 1 1 29 29 TYR HA H 1 . . 1 1 29 29 TYR CA C 13 . -1.1 . . 5.0 . . . . . . . . . . . 15088 1 186 DCAHA . 1 1 30 30 LEU HA H 1 . . 1 1 30 30 LEU CA C 13 . -10.7 . . 5.0 . . . . . . . . . . . 15088 1 187 DCAHA . 1 1 31 31 ALA HA H 1 . . 1 1 31 31 ALA CA C 13 . 0.5 . . 5.0 . . . . . . . . . . . 15088 1 188 DCAHA . 1 1 32 32 ASP HA H 1 . . 1 1 32 32 ASP CA C 13 . -7.7 . . 5.0 . . . . . . . . . . . 15088 1 189 DCAHA . 1 1 33 33 ARG HA H 1 . . 1 1 33 33 ARG CA C 13 . 10.3 . . 5.0 . . . . . . . . . . . 15088 1 190 DCAHA . 1 1 34 34 ALA HA H 1 . . 1 1 34 34 ALA CA C 13 . -5.6 . . 5.0 . . . . . . . . . . . 15088 1 191 DCAHA . 1 1 35 35 SER HA H 1 . . 1 1 35 35 SER CA C 13 . -6.2 . . 5.0 . . . . . . . . . . . 15088 1 192 DCAHA . 1 1 36 36 ILE HA H 1 . . 1 1 36 36 ILE CA C 13 . -1.2 . . 5.0 . . . . . . . . . . . 15088 1 193 DCAHA . 1 1 37 37 THR HA H 1 . . 1 1 37 37 THR CA C 13 . 4.1 . . 5.0 . . . . . . . . . . . 15088 1 194 DCAHA . 1 1 39 39 LYS HA H 1 . . 1 1 39 39 LYS CA C 13 . -2.7 . . 5.0 . . . . . . . . . . . 15088 1 195 DCAHA . 1 1 40 40 PHE HA H 1 . . 1 1 40 40 PHE CA C 13 . 3.2 . . 5.0 . . . . . . . . . . . 15088 1 196 DCAHA . 1 1 41 41 SER HA H 1 . . 1 1 41 41 SER CA C 13 . -2.9 . . 5.0 . . . . . . . . . . . 15088 1 197 DCAHA . 1 1 42 42 ASP HA H 1 . . 1 1 42 42 ASP CA C 13 . 6.2 . . 5.0 . . . . . . . . . . . 15088 1 198 DCAHA . 1 1 43 43 ALA HA H 1 . . 1 1 43 43 ALA CA C 13 . -6.9 . . 5.0 . . . . . . . . . . . 15088 1 199 DCAHA . 1 1 44 44 GLU HA H 1 . . 1 1 44 44 GLU CA C 13 . 2.1 . . 5.0 . . . . . . . . . . . 15088 1 200 DCAHA . 1 1 46 46 PRO HA H 1 . . 1 1 46 46 PRO CA C 13 . 2.1 . . 5.0 . . . . . . . . . . . 15088 1 201 DCAHA . 1 1 47 47 LYS HA H 1 . . 1 1 47 47 LYS CA C 13 . 1.7 . . 5.0 . . . . . . . . . . . 15088 1 202 DCAHA . 1 1 48 48 LEU HA H 1 . . 1 1 48 48 LEU CA C 13 . -5.9 . . 5.0 . . . . . . . . . . . 15088 1 203 DCAHA . 1 1 49 49 ASP HA H 1 . . 1 1 49 49 ASP CA C 13 . 15.4 . . 5.0 . . . . . . . . . . . 15088 1 204 DCAHA . 1 1 50 50 VAL HA H 1 . . 1 1 50 50 VAL CA C 13 . -2.0 . . 5.0 . . . . . . . . . . . 15088 1 205 DCAHA . 1 1 51 51 VAL HA H 1 . . 1 1 51 51 VAL CA C 13 . 4.8 . . 5.0 . . . . . . . . . . . 15088 1 206 DCAHA . 1 1 53 53 PRO HA H 1 . . 1 1 53 53 PRO CA C 13 . 16.1 . . 5.0 . . . . . . . . . . . 15088 1 207 DCAHA . 1 1 55 55 PHE HA H 1 . . 1 1 55 55 PHE CA C 13 . -8.9 . . 5.0 . . . . . . . . . . . 15088 1 208 DCAHA . 1 1 56 56 ILE HA H 1 . . 1 1 56 56 ILE CA C 13 . 5.0 . . 5.0 . . . . . . . . . . . 15088 1 209 DCAHA . 1 1 57 57 SER HA H 1 . . 1 1 57 57 SER CA C 13 . -2.6 . . 5.0 . . . . . . . . . . . 15088 1 210 DCAHA . 1 1 58 58 GLN HA H 1 . . 1 1 58 58 GLN CA C 13 . -2.7 . . 5.0 . . . . . . . . . . . 15088 1 211 DCAHA . 1 1 59 59 ILE HA H 1 . . 1 1 59 59 ILE CA C 13 . -12.8 . . 5.0 . . . . . . . . . . . 15088 1 212 DCAHA . 1 1 60 60 GLU HA H 1 . . 1 1 60 60 GLU CA C 13 . 21.0 . . 5.0 . . . . . . . . . . . 15088 1 213 DCAHA . 1 1 61 61 SER HA H 1 . . 1 1 61 61 SER CA C 13 . -3.2 . . 5.0 . . . . . . . . . . . 15088 1 214 DCAHA . 1 1 62 62 MET HA H 1 . . 1 1 62 62 MET CA C 13 . 1.5 . . 5.0 . . . . . . . . . . . 15088 1 215 DCAHA . 1 1 63 63 LEU HA H 1 . . 1 1 63 63 LEU CA C 13 . -1.7 . . 5.0 . . . . . . . . . . . 15088 1 216 DCAHA . 1 1 64 64 THR HA H 1 . . 1 1 64 64 THR CA C 13 . 8.4 . . 5.0 . . . . . . . . . . . 15088 1 217 DCAHA . 1 1 65 65 THR HA H 1 . . 1 1 65 65 THR CA C 13 . -10.7 . . 5.0 . . . . . . . . . . . 15088 1 218 DCAHA . 1 1 67 67 GLU HA H 1 . . 1 1 67 67 GLU CA C 13 . -10.4 . . 5.0 . . . . . . . . . . . 15088 1 219 DCAHA . 1 1 68 68 LEU HA H 1 . . 1 1 68 68 LEU CA C 13 . -8.9 . . 5.0 . . . . . . . . . . . 15088 1 220 DCAHA . 1 1 70 70 PRO HA H 1 . . 1 1 70 70 PRO CA C 13 . -7.1 . . 5.0 . . . . . . . . . . . 15088 1 221 DCAHA . 1 1 71 71 ARG HA H 1 . . 1 1 71 71 ARG CA C 13 . 9.5 . . 5.0 . . . . . . . . . . . 15088 1 222 DCAHA . 1 1 72 72 HIS HA H 1 . . 1 1 72 72 HIS CA C 13 . 13.4 . . 5.0 . . . . . . . . . . . 15088 1 223 DCAHA . 1 1 73 73 ALA HA H 1 . . 1 1 73 73 ALA CA C 13 . -8.6 . . 5.0 . . . . . . . . . . . 15088 1 224 DCAHA . 1 1 74 74 GLN HA H 1 . . 1 1 74 74 GLN CA C 13 . -8.9 . . 5.0 . . . . . . . . . . . 15088 1 225 DCAHA . 1 1 75 75 CYS HA H 1 . . 1 1 75 75 CYS CA C 13 . -6.6 . . 5.0 . . . . . . . . . . . 15088 1 226 DCAHA . 1 1 76 76 VAL HA H 1 . . 1 1 76 76 VAL CA C 13 . -9.3 . . 5.0 . . . . . . . . . . . 15088 1 227 DCAHA . 1 1 77 77 THR HA H 1 . . 1 1 77 77 THR CA C 13 . -2.4 . . 5.0 . . . . . . . . . . . 15088 1 228 DCAHA . 1 1 78 78 LEU HA H 1 . . 1 1 78 78 LEU CA C 13 . -3.8 . . 5.0 . . . . . . . . . . . 15088 1 229 DCAHA . 1 1 79 79 TYR HA H 1 . . 1 1 79 79 TYR CA C 13 . -3.3 . . 5.0 . . . . . . . . . . . 15088 1 230 DCAHA . 1 1 80 80 HIS HA H 1 . . 1 1 80 80 HIS CA C 13 . 9.1 . . 5.0 . . . . . . . . . . . 15088 1 231 DCAHA . 1 1 81 81 ASN HA H 1 . . 1 1 81 81 ASN CA C 13 . 28.2 . . 5.0 . . . . . . . . . . . 15088 1 232 DCAHA . 1 1 83 83 PHE HA H 1 . . 1 1 83 83 PHE CA C 13 . -6.0 . . 5.0 . . . . . . . . . . . 15088 1 233 DCAHA . 1 1 85 85 CYS HA H 1 . . 1 1 85 85 CYS CA C 13 . -9.5 . . 5.0 . . . . . . . . . . . 15088 1 234 DCAHA . 1 1 86 86 GLU HA H 1 . . 1 1 86 86 GLU CA C 13 . 0.8 . . 5.0 . . . . . . . . . . . 15088 1 235 DCAHA . 1 1 87 87 ALA HA H 1 . . 1 1 87 87 ALA CA C 13 . 0.6 . . 5.0 . . . . . . . . . . . 15088 1 236 DCAHA . 1 1 88 88 ASP HA H 1 . . 1 1 88 88 ASP CA C 13 . 0.3 . . 5.0 . . . . . . . . . . . 15088 1 237 DCAHA . 1 1 89 89 THR HA H 1 . . 1 1 89 89 THR CA C 13 . -22.5 . . 5.0 . . . . . . . . . . . 15088 1 238 DCAHA . 1 1 90 90 LEU HA H 1 . . 1 1 90 90 LEU CA C 13 . -6.3 . . 5.0 . . . . . . . . . . . 15088 1 239 DCAHA . 1 1 92 92 SER HA H 1 . . 1 1 92 92 SER CA C 13 . 16.4 . . 5.0 . . . . . . . . . . . 15088 1 240 DCAHA . 1 1 93 93 CYS HA H 1 . . 1 1 93 93 CYS CA C 13 . 6.9 . . 5.0 . . . . . . . . . . . 15088 1 241 DCAHA . 1 1 95 95 TYR HA H 1 . . 1 1 95 95 TYR CA C 13 . -9.9 . . 5.0 . . . . . . . . . . . 15088 1 242 DCAHA . 1 1 96 96 VAL HA H 1 . . 1 1 96 96 VAL CA C 13 . -14.2 . . 5.0 . . . . . . . . . . . 15088 1 243 DCAHA . 1 1 97 97 TYR HA H 1 . . 1 1 97 97 TYR CA C 13 . -7.7 . . 5.0 . . . . . . . . . . . 15088 1 244 DCAHA . 1 1 98 98 ILE HA H 1 . . 1 1 98 98 ILE CA C 13 . -13.0 . . 5.0 . . . . . . . . . . . 15088 1 245 DCAHA . 1 1 99 99 ALA HA H 1 . . 1 1 99 99 ALA CA C 13 . -11.3 . . 5.0 . . . . . . . . . . . 15088 1 246 DCAHA . 1 1 100 100 VAL HA H 1 . . 1 1 100 100 VAL CA C 13 . -1.1 . . 5.0 . . . . . . . . . . . 15088 1 247 DCAHA . 1 1 102 102 PRO HA H 1 . . 1 1 102 102 PRO CA C 13 . -2.9 . . 5.0 . . . . . . . . . . . 15088 1 248 DCAHA . 1 1 103 103 THR HA H 1 . . 1 1 103 103 THR CA C 13 . 6.0 . . 5.0 . . . . . . . . . . . 15088 1 249 DCAHA . 1 1 104 104 GLN HA H 1 . . 1 1 104 104 GLN CA C 13 . -10.1 . . 5.0 . . . . . . . . . . . 15088 1 stop_ save_