data_26819 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26819 _Entry.Title ; 1H, 13C and 15N backbone and side chain chemical shift assignments of CHIP-TPR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-17 _Entry.Accession_date 2016-06-17 _Entry.Last_release_date 2016-10-13 _Entry.Original_release_date 2016-10-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Huaqun Zhang . . . . 26819 2 Richard Page . . . . 26819 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26819 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 362 26819 '15N chemical shifts' 121 26819 '1H chemical shifts' 121 26819 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 . . 2017-03-14 2016-06-17 update BMRB 'update entry citation' 26819 1 . . 2016-10-13 2016-06-17 original author 'original release' 26819 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26818 CHIP-TPR 26819 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26819 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27709416 _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C resonance assignments for free and IEEVD peptide-bound forms of the tetratricopeptide repeat domain from the human E3 ubiquitin ligase CHIP ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 5 _Citation.Page_last 9 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Huaqun Zhang . . . . 26819 1 2 Cameron McGlone . . . . 26819 1 3 Matthew Mannion . M. . . 26819 1 4 Richard Page . C. . . 26819 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26819 _Assembly.ID 1 _Assembly.Name CHIP-TPR/Hsp70p1 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CHIP-TPR 1 $CHIP-TPR A . yes native no no . . . 26819 1 2 Hsp70p1 2 $Hsp70p1 A . no native no no . . . 26819 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 4kbq . . X-ray . . . 26819 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CHIP-TPR _Entity.Sf_category entity _Entity.Sf_framecode CHIP-TPR _Entity.Entry_ID 26819 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CHIP-TPR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGSEKSPSAQELKEQGNR LFVGRKYPEAAACYGRAITR NPLVAVYYTNRALCYLKMQQ HEQALADCRRALELDGQSVK AHFFLGQCQLEMESYDEAIA NLQRAYSLAKEQRLNFGDDI PSALRIAKKKRWNSIEERR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-5 are from a non-native affinity tag after cleavage by TEV protease.' _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 139 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'The tetratricopeptide repeat domain (TPR) of the C terminus of HSC70-Interacting Protein (CHIP).' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15860 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Assignments of the first 5 residues are not included.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 UNP Q9UNE7 . . . . . . . . . . . . . . . . 26819 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Ubiquitin ligase tetratricopeptide repeat domain' 26819 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 16 GLY . 26819 1 2 17 ALA . 26819 1 3 18 MET . 26819 1 4 19 GLY . 26819 1 5 20 SER . 26819 1 6 21 GLU . 26819 1 7 22 LYS . 26819 1 8 23 SER . 26819 1 9 24 PRO . 26819 1 10 25 SER . 26819 1 11 26 ALA . 26819 1 12 27 GLN . 26819 1 13 28 GLU . 26819 1 14 29 LEU . 26819 1 15 30 LYS . 26819 1 16 31 GLU . 26819 1 17 32 GLN . 26819 1 18 33 GLY . 26819 1 19 34 ASN . 26819 1 20 35 ARG . 26819 1 21 36 LEU . 26819 1 22 37 PHE . 26819 1 23 38 VAL . 26819 1 24 39 GLY . 26819 1 25 40 ARG . 26819 1 26 41 LYS . 26819 1 27 42 TYR . 26819 1 28 43 PRO . 26819 1 29 44 GLU . 26819 1 30 45 ALA . 26819 1 31 46 ALA . 26819 1 32 47 ALA . 26819 1 33 48 CYS . 26819 1 34 49 TYR . 26819 1 35 50 GLY . 26819 1 36 51 ARG . 26819 1 37 52 ALA . 26819 1 38 53 ILE . 26819 1 39 54 THR . 26819 1 40 55 ARG . 26819 1 41 56 ASN . 26819 1 42 57 PRO . 26819 1 43 58 LEU . 26819 1 44 59 VAL . 26819 1 45 60 ALA . 26819 1 46 61 VAL . 26819 1 47 62 TYR . 26819 1 48 63 TYR . 26819 1 49 64 THR . 26819 1 50 65 ASN . 26819 1 51 66 ARG . 26819 1 52 67 ALA . 26819 1 53 68 LEU . 26819 1 54 69 CYS . 26819 1 55 70 TYR . 26819 1 56 71 LEU . 26819 1 57 72 LYS . 26819 1 58 73 MET . 26819 1 59 74 GLN . 26819 1 60 75 GLN . 26819 1 61 76 HIS . 26819 1 62 77 GLU . 26819 1 63 78 GLN . 26819 1 64 79 ALA . 26819 1 65 80 LEU . 26819 1 66 81 ALA . 26819 1 67 82 ASP . 26819 1 68 83 CYS . 26819 1 69 84 ARG . 26819 1 70 85 ARG . 26819 1 71 86 ALA . 26819 1 72 87 LEU . 26819 1 73 88 GLU . 26819 1 74 89 LEU . 26819 1 75 90 ASP . 26819 1 76 91 GLY . 26819 1 77 92 GLN . 26819 1 78 93 SER . 26819 1 79 94 VAL . 26819 1 80 95 LYS . 26819 1 81 96 ALA . 26819 1 82 97 HIS . 26819 1 83 98 PHE . 26819 1 84 99 PHE . 26819 1 85 100 LEU . 26819 1 86 101 GLY . 26819 1 87 102 GLN . 26819 1 88 103 CYS . 26819 1 89 104 GLN . 26819 1 90 105 LEU . 26819 1 91 106 GLU . 26819 1 92 107 MET . 26819 1 93 108 GLU . 26819 1 94 109 SER . 26819 1 95 110 TYR . 26819 1 96 111 ASP . 26819 1 97 112 GLU . 26819 1 98 113 ALA . 26819 1 99 114 ILE . 26819 1 100 115 ALA . 26819 1 101 116 ASN . 26819 1 102 117 LEU . 26819 1 103 118 GLN . 26819 1 104 119 ARG . 26819 1 105 120 ALA . 26819 1 106 121 TYR . 26819 1 107 122 SER . 26819 1 108 123 LEU . 26819 1 109 124 ALA . 26819 1 110 125 LYS . 26819 1 111 126 GLU . 26819 1 112 127 GLN . 26819 1 113 128 ARG . 26819 1 114 129 LEU . 26819 1 115 130 ASN . 26819 1 116 131 PHE . 26819 1 117 132 GLY . 26819 1 118 133 ASP . 26819 1 119 134 ASP . 26819 1 120 135 ILE . 26819 1 121 136 PRO . 26819 1 122 137 SER . 26819 1 123 138 ALA . 26819 1 124 139 LEU . 26819 1 125 140 ARG . 26819 1 126 141 ILE . 26819 1 127 142 ALA . 26819 1 128 143 LYS . 26819 1 129 144 LYS . 26819 1 130 145 LYS . 26819 1 131 146 ARG . 26819 1 132 147 TRP . 26819 1 133 148 ASN . 26819 1 134 149 SER . 26819 1 135 150 ILE . 26819 1 136 151 GLU . 26819 1 137 152 GLU . 26819 1 138 153 ARG . 26819 1 139 154 ARG . 26819 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26819 1 . ALA 2 2 26819 1 . MET 3 3 26819 1 . GLY 4 4 26819 1 . SER 5 5 26819 1 . GLU 6 6 26819 1 . LYS 7 7 26819 1 . SER 8 8 26819 1 . PRO 9 9 26819 1 . SER 10 10 26819 1 . ALA 11 11 26819 1 . GLN 12 12 26819 1 . GLU 13 13 26819 1 . LEU 14 14 26819 1 . LYS 15 15 26819 1 . GLU 16 16 26819 1 . GLN 17 17 26819 1 . GLY 18 18 26819 1 . ASN 19 19 26819 1 . ARG 20 20 26819 1 . LEU 21 21 26819 1 . PHE 22 22 26819 1 . VAL 23 23 26819 1 . GLY 24 24 26819 1 . ARG 25 25 26819 1 . LYS 26 26 26819 1 . TYR 27 27 26819 1 . PRO 28 28 26819 1 . GLU 29 29 26819 1 . ALA 30 30 26819 1 . ALA 31 31 26819 1 . ALA 32 32 26819 1 . CYS 33 33 26819 1 . TYR 34 34 26819 1 . GLY 35 35 26819 1 . ARG 36 36 26819 1 . ALA 37 37 26819 1 . ILE 38 38 26819 1 . THR 39 39 26819 1 . ARG 40 40 26819 1 . ASN 41 41 26819 1 . PRO 42 42 26819 1 . LEU 43 43 26819 1 . VAL 44 44 26819 1 . ALA 45 45 26819 1 . VAL 46 46 26819 1 . TYR 47 47 26819 1 . TYR 48 48 26819 1 . THR 49 49 26819 1 . ASN 50 50 26819 1 . ARG 51 51 26819 1 . ALA 52 52 26819 1 . LEU 53 53 26819 1 . CYS 54 54 26819 1 . TYR 55 55 26819 1 . LEU 56 56 26819 1 . LYS 57 57 26819 1 . MET 58 58 26819 1 . GLN 59 59 26819 1 . GLN 60 60 26819 1 . HIS 61 61 26819 1 . GLU 62 62 26819 1 . GLN 63 63 26819 1 . ALA 64 64 26819 1 . LEU 65 65 26819 1 . ALA 66 66 26819 1 . ASP 67 67 26819 1 . CYS 68 68 26819 1 . ARG 69 69 26819 1 . ARG 70 70 26819 1 . ALA 71 71 26819 1 . LEU 72 72 26819 1 . GLU 73 73 26819 1 . LEU 74 74 26819 1 . ASP 75 75 26819 1 . GLY 76 76 26819 1 . GLN 77 77 26819 1 . SER 78 78 26819 1 . VAL 79 79 26819 1 . LYS 80 80 26819 1 . ALA 81 81 26819 1 . HIS 82 82 26819 1 . PHE 83 83 26819 1 . PHE 84 84 26819 1 . LEU 85 85 26819 1 . GLY 86 86 26819 1 . GLN 87 87 26819 1 . CYS 88 88 26819 1 . GLN 89 89 26819 1 . LEU 90 90 26819 1 . GLU 91 91 26819 1 . MET 92 92 26819 1 . GLU 93 93 26819 1 . SER 94 94 26819 1 . TYR 95 95 26819 1 . ASP 96 96 26819 1 . GLU 97 97 26819 1 . ALA 98 98 26819 1 . ILE 99 99 26819 1 . ALA 100 100 26819 1 . ASN 101 101 26819 1 . LEU 102 102 26819 1 . GLN 103 103 26819 1 . ARG 104 104 26819 1 . ALA 105 105 26819 1 . TYR 106 106 26819 1 . SER 107 107 26819 1 . LEU 108 108 26819 1 . ALA 109 109 26819 1 . LYS 110 110 26819 1 . GLU 111 111 26819 1 . GLN 112 112 26819 1 . ARG 113 113 26819 1 . LEU 114 114 26819 1 . ASN 115 115 26819 1 . PHE 116 116 26819 1 . GLY 117 117 26819 1 . ASP 118 118 26819 1 . ASP 119 119 26819 1 . ILE 120 120 26819 1 . PRO 121 121 26819 1 . SER 122 122 26819 1 . ALA 123 123 26819 1 . LEU 124 124 26819 1 . ARG 125 125 26819 1 . ILE 126 126 26819 1 . ALA 127 127 26819 1 . LYS 128 128 26819 1 . LYS 129 129 26819 1 . LYS 130 130 26819 1 . ARG 131 131 26819 1 . TRP 132 132 26819 1 . ASN 133 133 26819 1 . SER 134 134 26819 1 . ILE 135 135 26819 1 . GLU 136 136 26819 1 . GLU 137 137 26819 1 . ARG 138 138 26819 1 . ARG 139 139 26819 1 stop_ save_ save_Hsp70p1 _Entity.Sf_category entity _Entity.Sf_framecode Hsp70p1 _Entity.Entry_ID 26819 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Hsp70p1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPTIEEVD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Hsp70 tail' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 UNP P0DMV8 . 'Heat shock 70 kDa protein 1A' . . . . . . . . . . . . . . 26819 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'C-terminus of heat shock protein' 26819 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 26819 2 2 2 PRO . 26819 2 3 3 THR . 26819 2 4 4 ILE . 26819 2 5 5 GLU . 26819 2 6 6 GLU . 26819 2 7 7 VAL . 26819 2 8 8 ASP . 26819 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26819 2 . PRO 2 2 26819 2 . THR 3 3 26819 2 . ILE 4 4 26819 2 . GLU 5 5 26819 2 . GLU 6 6 26819 2 . VAL 7 7 26819 2 . ASP 8 8 26819 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26819 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CHIP-TPR . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26819 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 26819 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CHIP-TPR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pHis//2 . . . 26819 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26819 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 CHIP-TPR '[U-100% 15N]' . . 1 $CHIP-TPR . . . 0.4 0.5 mM . . . . 26819 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26819 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 26819 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 26819 1 5 Hsp70p1 'natural abundance' . . 2 $Hsp70p1 . . . 1.5 2 mM . . . . 26819 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26819 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26819 1 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 26819 _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 7.0 . pH 26819 1 pressure 1 . atm 26819 1 temperature 293 . K 26819 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26819 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26819 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26819 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 26819 _Software.ID 2 _Software.Name NMRDraw _Software.Version 8.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26819 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 26819 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26819 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2012.090.12.09 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26819 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26819 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 26819 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26819 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 26819 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 26819 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26819 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26819 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26819 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26819 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 26819 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 external indirect 0.251449530 . . . . . 26819 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.000000000 . . . . . 26819 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0 external indirect 0.101329118 . . . . . 26819 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 26819 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 26819 1 2 '3D HNCO' . . . 26819 1 3 '3D HNCACB' . . . 26819 1 4 '3D CBCA(CO)NH' . . . 26819 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 $SPARKY . . 26819 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 6 6 GLU H H 1 8.507 0.010 . 1 . . . . 21 GLU H . 26819 1 2 . 1 1 6 6 GLU C C 13 174.621 0.3 . 1 . . . . 21 GLU C . 26819 1 3 . 1 1 6 6 GLU CA C 13 54.035 0.3 . 1 . . . . 21 GLU CA . 26819 1 4 . 1 1 6 6 GLU CB C 13 27.246 0.3 . 1 . . . . 21 GLU CB . 26819 1 5 . 1 1 6 6 GLU N N 15 122.864 0.005 . 1 . . . . 21 GLU N . 26819 1 6 . 1 1 7 7 LYS H H 1 8.235 0.013 . 1 . . . . 22 LYS H . 26819 1 7 . 1 1 7 7 LYS C C 13 173.508 0.3 . 1 . . . . 22 LYS C . 26819 1 8 . 1 1 7 7 LYS CA C 13 53.505 0.3 . 1 . . . . 22 LYS CA . 26819 1 9 . 1 1 7 7 LYS CB C 13 30.210 0.3 . 1 . . . . 22 LYS CB . 26819 1 10 . 1 1 7 7 LYS N N 15 122.329 0.019 . 1 . . . . 22 LYS N . 26819 1 11 . 1 1 8 8 SER H H 1 8.300 0.012 . 1 . . . . 23 SER H . 26819 1 12 . 1 1 8 8 SER CA C 13 53.484 0.3 . 1 . . . . 23 SER CA . 26819 1 13 . 1 1 8 8 SER CB C 13 60.615 0.3 . 1 . . . . 23 SER CB . 26819 1 14 . 1 1 8 8 SER N N 15 118.872 0.047 . 1 . . . . 23 SER N . 26819 1 15 . 1 1 9 9 PRO C C 13 173.705 0.3 . 1 . . . . 24 PRO C . 26819 1 16 . 1 1 10 10 SER H H 1 8.716 0.009 . 1 . . . . 25 SER H . 26819 1 17 . 1 1 10 10 SER C C 13 171.737 0.3 . 1 . . . . 25 SER C . 26819 1 18 . 1 1 10 10 SER CA C 13 54.430 0.3 . 1 . . . . 25 SER CA . 26819 1 19 . 1 1 10 10 SER CB C 13 62.526 0.3 . 1 . . . . 25 SER CB . 26819 1 20 . 1 1 10 10 SER N N 15 117.677 0.019 . 1 . . . . 25 SER N . 26819 1 21 . 1 1 11 11 ALA H H 1 8.959 0.014 . 1 . . . . 26 ALA H . 26819 1 22 . 1 1 11 11 ALA C C 13 175.719 0.3 . 1 . . . . 26 ALA C . 26819 1 23 . 1 1 11 11 ALA CA C 13 53.355 0.3 . 1 . . . . 26 ALA CA . 26819 1 24 . 1 1 11 11 ALA CB C 13 16.100 0.3 . 1 . . . . 26 ALA CB . 26819 1 25 . 1 1 11 11 ALA N N 15 123.483 0.017 . 1 . . . . 26 ALA N . 26819 1 26 . 1 1 12 12 GLN H H 1 8.235 0.008 . 1 . . . . 27 GLN H . 26819 1 27 . 1 1 12 12 GLN C C 13 175.683 0.3 . 1 . . . . 27 GLN C . 26819 1 28 . 1 1 12 12 GLN CA C 13 56.035 0.3 . 1 . . . . 27 GLN CA . 26819 1 29 . 1 1 12 12 GLN CB C 13 25.533 0.3 . 1 . . . . 27 GLN CB . 26819 1 30 . 1 1 12 12 GLN N N 15 115.429 0.020 . 1 . . . . 27 GLN N . 26819 1 31 . 1 1 13 13 GLU H H 1 7.772 0.010 . 1 . . . . 28 GLU H . 26819 1 32 . 1 1 13 13 GLU C C 13 177.391 0.3 . 1 . . . . 28 GLU C . 26819 1 33 . 1 1 13 13 GLU CA C 13 56.586 0.3 . 1 . . . . 28 GLU CA . 26819 1 34 . 1 1 13 13 GLU CB C 13 26.642 0.3 . 1 . . . . 28 GLU CB . 26819 1 35 . 1 1 13 13 GLU N N 15 120.265 0.021 . 1 . . . . 28 GLU N . 26819 1 36 . 1 1 14 14 LEU H H 1 8.122 0.009 . 1 . . . . 29 LEU H . 26819 1 37 . 1 1 14 14 LEU C C 13 176.047 0.3 . 1 . . . . 29 LEU C . 26819 1 38 . 1 1 14 14 LEU CA C 13 55.379 0.3 . 1 . . . . 29 LEU CA . 26819 1 39 . 1 1 14 14 LEU CB C 13 39.017 0.3 . 1 . . . . 29 LEU CB . 26819 1 40 . 1 1 14 14 LEU N N 15 122.246 0.013 . 1 . . . . 29 LEU N . 26819 1 41 . 1 1 15 15 LYS H H 1 8.282 0.013 . 1 . . . . 30 LYS H . 26819 1 42 . 1 1 15 15 LYS C C 13 175.576 0.3 . 1 . . . . 30 LYS C . 26819 1 43 . 1 1 15 15 LYS CA C 13 57.542 0.3 . 1 . . . . 30 LYS CA . 26819 1 44 . 1 1 15 15 LYS CB C 13 26.790 0.3 . 1 . . . . 30 LYS CB . 26819 1 45 . 1 1 15 15 LYS N N 15 121.087 0.030 . 1 . . . . 30 LYS N . 26819 1 46 . 1 1 16 16 GLU H H 1 8.193 0.010 . 1 . . . . 31 GLU H . 26819 1 47 . 1 1 16 16 GLU C C 13 176.699 0.3 . 1 . . . . 31 GLU C . 26819 1 48 . 1 1 16 16 GLU CA C 13 57.244 0.3 . 1 . . . . 31 GLU CA . 26819 1 49 . 1 1 16 16 GLU CB C 13 26.318 0.3 . 1 . . . . 31 GLU CB . 26819 1 50 . 1 1 16 16 GLU N N 15 118.310 0.013 . 1 . . . . 31 GLU N . 26819 1 51 . 1 1 17 17 GLN H H 1 8.137 0.008 . 1 . . . . 32 GLN H . 26819 1 52 . 1 1 17 17 GLN C C 13 176.555 0.3 . 1 . . . . 32 GLN C . 26819 1 53 . 1 1 17 17 GLN CA C 13 56.475 0.3 . 1 . . . . 32 GLN CA . 26819 1 54 . 1 1 17 17 GLN CB C 13 25.289 0.3 . 1 . . . . 32 GLN CB . 26819 1 55 . 1 1 17 17 GLN N N 15 120.502 0.023 . 1 . . . . 32 GLN N . 26819 1 56 . 1 1 18 18 GLY H H 1 8.315 0.014 . 1 . . . . 33 GLY H . 26819 1 57 . 1 1 18 18 GLY C C 13 174.938 0.3 . 1 . . . . 33 GLY C . 26819 1 58 . 1 1 18 18 GLY CA C 13 44.642 0.3 . 1 . . . . 33 GLY CA . 26819 1 59 . 1 1 18 18 GLY N N 15 108.451 0.010 . 1 . . . . 33 GLY N . 26819 1 60 . 1 1 19 19 ASN H H 1 8.921 0.006 . 1 . . . . 34 ASN H . 26819 1 61 . 1 1 19 19 ASN C C 13 174.836 0.3 . 1 . . . . 34 ASN C . 26819 1 62 . 1 1 19 19 ASN CA C 13 53.305 0.3 . 1 . . . . 34 ASN CA . 26819 1 63 . 1 1 19 19 ASN CB C 13 33.566 0.3 . 1 . . . . 34 ASN CB . 26819 1 64 . 1 1 19 19 ASN N N 15 121.516 0.013 . 1 . . . . 34 ASN N . 26819 1 65 . 1 1 20 20 ARG H H 1 7.745 0.008 . 1 . . . . 35 ARG H . 26819 1 66 . 1 1 20 20 ARG C C 13 177.520 0.3 . 1 . . . . 35 ARG C . 26819 1 67 . 1 1 20 20 ARG CA C 13 57.197 0.3 . 1 . . . . 35 ARG CA . 26819 1 68 . 1 1 20 20 ARG CB C 13 27.308 0.3 . 1 . . . . 35 ARG CB . 26819 1 69 . 1 1 20 20 ARG N N 15 119.574 0.011 . 1 . . . . 35 ARG N . 26819 1 70 . 1 1 21 21 LEU H H 1 7.599 0.010 . 1 . . . . 36 LEU H . 26819 1 71 . 1 1 21 21 LEU C C 13 175.436 0.3 . 1 . . . . 36 LEU C . 26819 1 72 . 1 1 21 21 LEU CA C 13 55.403 0.3 . 1 . . . . 36 LEU CA . 26819 1 73 . 1 1 21 21 LEU CB C 13 38.299 0.3 . 1 . . . . 36 LEU CB . 26819 1 74 . 1 1 21 21 LEU N N 15 122.451 0.025 . 1 . . . . 36 LEU N . 26819 1 75 . 1 1 22 22 PHE H H 1 9.123 0.007 . 1 . . . . 37 PHE H . 26819 1 76 . 1 1 22 22 PHE C C 13 177.785 0.3 . 1 . . . . 37 PHE C . 26819 1 77 . 1 1 22 22 PHE CA C 13 60.543 0.3 . 1 . . . . 37 PHE CA . 26819 1 78 . 1 1 22 22 PHE CB C 13 37.108 0.3 . 1 . . . . 37 PHE CB . 26819 1 79 . 1 1 22 22 PHE N N 15 123.104 0.017 . 1 . . . . 37 PHE N . 26819 1 80 . 1 1 23 23 VAL H H 1 8.382 0.014 . 1 . . . . 38 VAL H . 26819 1 81 . 1 1 23 23 VAL C C 13 174.770 0.3 . 1 . . . . 38 VAL C . 26819 1 82 . 1 1 23 23 VAL CA C 13 63.438 0.3 . 1 . . . . 38 VAL CA . 26819 1 83 . 1 1 23 23 VAL CB C 13 28.798 0.3 . 1 . . . . 38 VAL CB . 26819 1 84 . 1 1 23 23 VAL N N 15 121.721 0.005 . 1 . . . . 38 VAL N . 26819 1 85 . 1 1 24 24 GLY H H 1 7.253 0.008 . 1 . . . . 39 GLY H . 26819 1 86 . 1 1 24 24 GLY C C 13 170.695 0.3 . 1 . . . . 39 GLY C . 26819 1 87 . 1 1 24 24 GLY CA C 13 42.359 0.3 . 1 . . . . 39 GLY CA . 26819 1 88 . 1 1 24 24 GLY N N 15 106.552 0.007 . 1 . . . . 39 GLY N . 26819 1 89 . 1 1 25 25 ARG H H 1 7.677 0.014 . 1 . . . . 40 ARG H . 26819 1 90 . 1 1 25 25 ARG C C 13 172.067 0.3 . 1 . . . . 40 ARG C . 26819 1 91 . 1 1 25 25 ARG CA C 13 53.725 0.3 . 1 . . . . 40 ARG CA . 26819 1 92 . 1 1 25 25 ARG CB C 13 23.503 0.3 . 1 . . . . 40 ARG CB . 26819 1 93 . 1 1 25 25 ARG N N 15 113.980 0.020 . 1 . . . . 40 ARG N . 26819 1 94 . 1 1 26 26 LYS H H 1 7.636 0.010 . 1 . . . . 41 LYS H . 26819 1 95 . 1 1 26 26 LYS C C 13 173.372 0.3 . 1 . . . . 41 LYS C . 26819 1 96 . 1 1 26 26 LYS CA C 13 50.539 0.3 . 1 . . . . 41 LYS CA . 26819 1 97 . 1 1 26 26 LYS CB C 13 26.823 0.3 . 1 . . . . 41 LYS CB . 26819 1 98 . 1 1 26 26 LYS N N 15 121.632 0.014 . 1 . . . . 41 LYS N . 26819 1 99 . 1 1 27 27 TYR H H 1 6.874 0.010 . 1 . . . . 42 TYR H . 26819 1 100 . 1 1 27 27 TYR CA C 13 59.907 0.3 . 1 . . . . 42 TYR CA . 26819 1 101 . 1 1 27 27 TYR CB C 13 32.877 0.3 . 1 . . . . 42 TYR CB . 26819 1 102 . 1 1 27 27 TYR N N 15 117.830 0.018 . 1 . . . . 42 TYR N . 26819 1 103 . 1 1 28 28 PRO C C 13 177.852 0.3 . 1 . . . . 43 PRO C . 26819 1 104 . 1 1 28 28 PRO CA C 13 63.535 0.3 . 1 . . . . 43 PRO CA . 26819 1 105 . 1 1 28 28 PRO CB C 13 27.729 0.3 . 1 . . . . 43 PRO CB . 26819 1 106 . 1 1 29 29 GLU H H 1 8.679 0.007 . 1 . . . . 44 GLU H . 26819 1 107 . 1 1 29 29 GLU C C 13 177.067 0.3 . 1 . . . . 44 GLU C . 26819 1 108 . 1 1 29 29 GLU CA C 13 57.920 0.3 . 1 . . . . 44 GLU CA . 26819 1 109 . 1 1 29 29 GLU CB C 13 26.002 0.3 . 1 . . . . 44 GLU CB . 26819 1 110 . 1 1 29 29 GLU N N 15 120.106 0.016 . 1 . . . . 44 GLU N . 26819 1 111 . 1 1 30 30 ALA H H 1 8.606 0.009 . 1 . . . . 45 ALA H . 26819 1 112 . 1 1 30 30 ALA C C 13 175.339 0.3 . 1 . . . . 45 ALA C . 26819 1 113 . 1 1 30 30 ALA CA C 13 53.279 0.3 . 1 . . . . 45 ALA CA . 26819 1 114 . 1 1 30 30 ALA CB C 13 15.443 0.3 . 1 . . . . 45 ALA CB . 26819 1 115 . 1 1 30 30 ALA N N 15 124.954 0.013 . 1 . . . . 45 ALA N . 26819 1 116 . 1 1 31 31 ALA H H 1 8.628 0.007 . 1 . . . . 46 ALA H . 26819 1 117 . 1 1 31 31 ALA C C 13 177.648 0.3 . 1 . . . . 46 ALA C . 26819 1 118 . 1 1 31 31 ALA CA C 13 53.137 0.3 . 1 . . . . 46 ALA CA . 26819 1 119 . 1 1 31 31 ALA CB C 13 14.403 0.3 . 1 . . . . 46 ALA CB . 26819 1 120 . 1 1 31 31 ALA N N 15 119.427 0.014 . 1 . . . . 46 ALA N . 26819 1 121 . 1 1 32 32 ALA H H 1 7.710 0.007 . 1 . . . . 47 ALA H . 26819 1 122 . 1 1 32 32 ALA C C 13 178.349 0.3 . 1 . . . . 47 ALA C . 26819 1 123 . 1 1 32 32 ALA CA C 13 52.080 0.3 . 1 . . . . 47 ALA CA . 26819 1 124 . 1 1 32 32 ALA CB C 13 14.819 0.3 . 1 . . . . 47 ALA CB . 26819 1 125 . 1 1 32 32 ALA N N 15 120.318 0.014 . 1 . . . . 47 ALA N . 26819 1 126 . 1 1 33 33 CYS H H 1 7.404 0.010 . 1 . . . . 48 CYS H . 26819 1 127 . 1 1 33 33 CYS C C 13 174.678 0.3 . 1 . . . . 48 CYS C . 26819 1 128 . 1 1 33 33 CYS CA C 13 62.151 0.3 . 1 . . . . 48 CYS CA . 26819 1 129 . 1 1 33 33 CYS CB C 13 22.846 0.3 . 1 . . . . 48 CYS CB . 26819 1 130 . 1 1 33 33 CYS N N 15 119.086 0.008 . 1 . . . . 48 CYS N . 26819 1 131 . 1 1 34 34 TYR H H 1 8.122 0.006 . 1 . . . . 49 TYR H . 26819 1 132 . 1 1 34 34 TYR C C 13 175.473 0.3 . 1 . . . . 49 TYR C . 26819 1 133 . 1 1 34 34 TYR CA C 13 57.151 0.3 . 1 . . . . 49 TYR CA . 26819 1 134 . 1 1 34 34 TYR CB C 13 34.176 0.3 . 1 . . . . 49 TYR CB . 26819 1 135 . 1 1 34 34 TYR N N 15 118.342 0.019 . 1 . . . . 49 TYR N . 26819 1 136 . 1 1 35 35 GLY H H 1 8.408 0.008 . 1 . . . . 50 GLY H . 26819 1 137 . 1 1 35 35 GLY C C 13 173.883 0.3 . 1 . . . . 50 GLY C . 26819 1 138 . 1 1 35 35 GLY CA C 13 44.822 0.3 . 1 . . . . 50 GLY CA . 26819 1 139 . 1 1 35 35 GLY N N 15 105.253 0.017 . 1 . . . . 50 GLY N . 26819 1 140 . 1 1 36 36 ARG H H 1 7.597 0.002 . 1 . . . . 51 ARG H . 26819 1 141 . 1 1 36 36 ARG C C 13 176.289 0.3 . 1 . . . . 51 ARG C . 26819 1 142 . 1 1 36 36 ARG CA C 13 56.925 0.3 . 1 . . . . 51 ARG CA . 26819 1 143 . 1 1 36 36 ARG CB C 13 28.298 0.3 . 1 . . . . 51 ARG CB . 26819 1 144 . 1 1 36 36 ARG N N 15 122.469 0.025 . 1 . . . . 51 ARG N . 26819 1 145 . 1 1 37 37 ALA H H 1 7.944 0.006 . 1 . . . . 52 ALA H . 26819 1 146 . 1 1 37 37 ALA C C 13 175.259 0.3 . 1 . . . . 52 ALA C . 26819 1 147 . 1 1 37 37 ALA CA C 13 53.388 0.3 . 1 . . . . 52 ALA CA . 26819 1 148 . 1 1 37 37 ALA CB C 13 13.427 0.3 . 1 . . . . 52 ALA CB . 26819 1 149 . 1 1 37 37 ALA N N 15 125.510 0.010 . 1 . . . . 52 ALA N . 26819 1 150 . 1 1 38 38 ILE H H 1 8.142 0.014 . 1 . . . . 53 ILE H . 26819 1 151 . 1 1 38 38 ILE C C 13 174.205 0.3 . 1 . . . . 53 ILE C . 26819 1 152 . 1 1 38 38 ILE CA C 13 62.352 0.3 . 1 . . . . 53 ILE CA . 26819 1 153 . 1 1 38 38 ILE CB C 13 36.008 0.3 . 1 . . . . 53 ILE CB . 26819 1 154 . 1 1 38 38 ILE N N 15 119.316 0.012 . 1 . . . . 53 ILE N . 26819 1 155 . 1 1 39 39 THR H H 1 7.606 0.005 . 1 . . . . 54 THR H . 26819 1 156 . 1 1 39 39 THR C C 13 173.634 0.3 . 1 . . . . 54 THR C . 26819 1 157 . 1 1 39 39 THR CA C 13 63.444 0.3 . 1 . . . . 54 THR CA . 26819 1 158 . 1 1 39 39 THR CB C 13 66.196 0.3 . 1 . . . . 54 THR CB . 26819 1 159 . 1 1 39 39 THR N N 15 112.479 0.021 . 1 . . . . 54 THR N . 26819 1 160 . 1 1 40 40 ARG H H 1 7.230 0.010 . 1 . . . . 55 ARG H . 26819 1 161 . 1 1 40 40 ARG C C 13 174.435 0.3 . 1 . . . . 55 ARG C . 26819 1 162 . 1 1 40 40 ARG CA C 13 54.941 0.3 . 1 . . . . 55 ARG CA . 26819 1 163 . 1 1 40 40 ARG CB C 13 27.317 0.3 . 1 . . . . 55 ARG CB . 26819 1 164 . 1 1 40 40 ARG N N 15 119.208 0.016 . 1 . . . . 55 ARG N . 26819 1 165 . 1 1 41 41 ASN H H 1 8.523 0.007 . 1 . . . . 56 ASN H . 26819 1 166 . 1 1 41 41 ASN CA C 13 48.397 0.3 . 1 . . . . 56 ASN CA . 26819 1 167 . 1 1 41 41 ASN CB C 13 36.558 0.3 . 1 . . . . 56 ASN CB . 26819 1 168 . 1 1 41 41 ASN N N 15 115.479 0.011 . 1 . . . . 56 ASN N . 26819 1 169 . 1 1 42 42 PRO C C 13 175.953 0.3 . 1 . . . . 57 PRO C . 26819 1 170 . 1 1 42 42 PRO CA C 13 61.237 0.3 . 1 . . . . 57 PRO CA . 26819 1 171 . 1 1 42 42 PRO CB C 13 29.232 0.3 . 1 . . . . 57 PRO CB . 26819 1 172 . 1 1 43 43 LEU H H 1 7.579 0.011 . 1 . . . . 58 LEU H . 26819 1 173 . 1 1 43 43 LEU C C 13 173.255 0.3 . 1 . . . . 58 LEU C . 26819 1 174 . 1 1 43 43 LEU CA C 13 51.605 0.3 . 1 . . . . 58 LEU CA . 26819 1 175 . 1 1 43 43 LEU CB C 13 38.130 0.3 . 1 . . . . 58 LEU CB . 26819 1 176 . 1 1 43 43 LEU N N 15 119.758 0.007 . 1 . . . . 58 LEU N . 26819 1 177 . 1 1 44 44 VAL H H 1 7.795 0.007 . 1 . . . . 59 VAL H . 26819 1 178 . 1 1 44 44 VAL C C 13 173.423 0.3 . 1 . . . . 59 VAL C . 26819 1 179 . 1 1 44 44 VAL CA C 13 59.089 0.3 . 1 . . . . 59 VAL CA . 26819 1 180 . 1 1 44 44 VAL CB C 13 29.119 0.3 . 1 . . . . 59 VAL CB . 26819 1 181 . 1 1 44 44 VAL N N 15 122.189 0.029 . 1 . . . . 59 VAL N . 26819 1 182 . 1 1 45 45 ALA H H 1 8.775 0.005 . 1 . . . . 60 ALA H . 26819 1 183 . 1 1 45 45 ALA C C 13 176.830 0.3 . 1 . . . . 60 ALA C . 26819 1 184 . 1 1 45 45 ALA CA C 13 53.789 0.3 . 1 . . . . 60 ALA CA . 26819 1 185 . 1 1 45 45 ALA CB C 13 16.372 0.3 . 1 . . . . 60 ALA CB . 26819 1 186 . 1 1 45 45 ALA N N 15 131.459 0.014 . 1 . . . . 60 ALA N . 26819 1 187 . 1 1 46 46 VAL H H 1 7.880 0.008 . 1 . . . . 61 VAL H . 26819 1 188 . 1 1 46 46 VAL C C 13 173.927 0.3 . 1 . . . . 61 VAL C . 26819 1 189 . 1 1 46 46 VAL CA C 13 61.756 0.3 . 1 . . . . 61 VAL CA . 26819 1 190 . 1 1 46 46 VAL CB C 13 29.356 0.3 . 1 . . . . 61 VAL CB . 26819 1 191 . 1 1 46 46 VAL N N 15 112.180 0.041 . 1 . . . . 61 VAL N . 26819 1 192 . 1 1 47 47 TYR H H 1 6.869 0.009 . 1 . . . . 62 TYR H . 26819 1 193 . 1 1 47 47 TYR C C 13 174.954 0.3 . 1 . . . . 62 TYR C . 26819 1 194 . 1 1 47 47 TYR CA C 13 55.396 0.3 . 1 . . . . 62 TYR CA . 26819 1 195 . 1 1 47 47 TYR CB C 13 33.457 0.3 . 1 . . . . 62 TYR CB . 26819 1 196 . 1 1 47 47 TYR N N 15 117.494 0.016 . 1 . . . . 62 TYR N . 26819 1 197 . 1 1 48 48 TYR H H 1 7.050 0.007 . 1 . . . . 63 TYR H . 26819 1 198 . 1 1 48 48 TYR C C 13 175.918 0.3 . 1 . . . . 63 TYR C . 26819 1 199 . 1 1 48 48 TYR CA C 13 58.963 0.3 . 1 . . . . 63 TYR CA . 26819 1 200 . 1 1 48 48 TYR CB C 13 35.818 0.3 . 1 . . . . 63 TYR CB . 26819 1 201 . 1 1 48 48 TYR N N 15 114.377 0.013 . 1 . . . . 63 TYR N . 26819 1 202 . 1 1 49 49 THR H H 1 8.114 0.007 . 1 . . . . 64 THR H . 26819 1 203 . 1 1 49 49 THR C C 13 173.693 0.3 . 1 . . . . 64 THR C . 26819 1 204 . 1 1 49 49 THR CA C 13 64.134 0.3 . 1 . . . . 64 THR CA . 26819 1 205 . 1 1 49 49 THR N N 15 112.158 0.041 . 1 . . . . 64 THR N . 26819 1 206 . 1 1 50 50 ASN H H 1 8.220 0.007 . 1 . . . . 65 ASN H . 26819 1 207 . 1 1 50 50 ASN CA C 13 52.312 0.3 . 1 . . . . 65 ASN CA . 26819 1 208 . 1 1 50 50 ASN CB C 13 31.623 0.3 . 1 . . . . 65 ASN CB . 26819 1 209 . 1 1 50 50 ASN N N 15 119.808 0.040 . 1 . . . . 65 ASN N . 26819 1 210 . 1 1 51 51 ARG C C 13 171.674 0.3 . 1 . . . . 66 ARG C . 26819 1 211 . 1 1 52 52 ALA H H 1 8.895 0.009 . 1 . . . . 67 ALA H . 26819 1 212 . 1 1 52 52 ALA C C 13 176.543 0.3 . 1 . . . . 67 ALA C . 26819 1 213 . 1 1 52 52 ALA CA C 13 53.215 0.3 . 1 . . . . 67 ALA CA . 26819 1 214 . 1 1 52 52 ALA CB C 13 16.728 0.3 . 1 . . . . 67 ALA CB . 26819 1 215 . 1 1 52 52 ALA N N 15 121.545 0.004 . 1 . . . . 67 ALA N . 26819 1 216 . 1 1 53 53 LEU H H 1 7.494 0.010 . 1 . . . . 68 LEU H . 26819 1 217 . 1 1 53 53 LEU C C 13 176.096 0.3 . 1 . . . . 68 LEU C . 26819 1 218 . 1 1 53 53 LEU CA C 13 54.942 0.3 . 1 . . . . 68 LEU CA . 26819 1 219 . 1 1 53 53 LEU CB C 13 36.942 0.3 . 1 . . . . 68 LEU CB . 26819 1 220 . 1 1 53 53 LEU N N 15 117.386 0.024 . 1 . . . . 68 LEU N . 26819 1 221 . 1 1 54 54 CYS H H 1 7.209 0.008 . 1 . . . . 69 CYS H . 26819 1 222 . 1 1 54 54 CYS C C 13 173.768 0.3 . 1 . . . . 69 CYS C . 26819 1 223 . 1 1 54 54 CYS CA C 13 62.149 0.3 . 1 . . . . 69 CYS CA . 26819 1 224 . 1 1 54 54 CYS CB C 13 24.126 0.3 . 1 . . . . 69 CYS CB . 26819 1 225 . 1 1 54 54 CYS N N 15 116.229 0.021 . 1 . . . . 69 CYS N . 26819 1 226 . 1 1 55 55 TYR H H 1 8.206 0.006 . 1 . . . . 70 TYR H . 26819 1 227 . 1 1 55 55 TYR C C 13 176.541 0.3 . 1 . . . . 70 TYR C . 26819 1 228 . 1 1 55 55 TYR CA C 13 57.290 0.3 . 1 . . . . 70 TYR CA . 26819 1 229 . 1 1 55 55 TYR CB C 13 34.009 0.3 . 1 . . . . 70 TYR CB . 26819 1 230 . 1 1 55 55 TYR N N 15 118.234 0.014 . 1 . . . . 70 TYR N . 26819 1 231 . 1 1 56 56 LEU H H 1 8.867 0.008 . 1 . . . . 71 LEU H . 26819 1 232 . 1 1 56 56 LEU C C 13 178.642 0.3 . 1 . . . . 71 LEU C . 26819 1 233 . 1 1 56 56 LEU CA C 13 56.338 0.3 . 1 . . . . 71 LEU CA . 26819 1 234 . 1 1 56 56 LEU CB C 13 38.802 0.3 . 1 . . . . 71 LEU CB . 26819 1 235 . 1 1 56 56 LEU N N 15 123.388 0.016 . 1 . . . . 71 LEU N . 26819 1 236 . 1 1 57 57 LYS H H 1 7.936 0.009 . 1 . . . . 72 LYS H . 26819 1 237 . 1 1 57 57 LYS C C 13 175.798 0.3 . 1 . . . . 72 LYS C . 26819 1 238 . 1 1 57 57 LYS CA C 13 27.191 0.3 . 1 . . . . 72 LYS CA . 26819 1 239 . 1 1 57 57 LYS CB C 13 54.418 0.3 . 1 . . . . 72 LYS CB . 26819 1 240 . 1 1 57 57 LYS N N 15 120.139 0.026 . 1 . . . . 72 LYS N . 26819 1 241 . 1 1 58 58 MET H H 1 7.413 0.008 . 1 . . . . 73 MET H . 26819 1 242 . 1 1 58 58 MET C C 13 171.696 0.3 . 1 . . . . 73 MET C . 26819 1 243 . 1 1 58 58 MET CA C 13 53.333 0.3 . 1 . . . . 73 MET CA . 26819 1 244 . 1 1 58 58 MET CB C 13 31.954 0.3 . 1 . . . . 73 MET CB . 26819 1 245 . 1 1 58 58 MET N N 15 116.611 0.015 . 1 . . . . 73 MET N . 26819 1 246 . 1 1 59 59 GLN H H 1 7.738 0.010 . 1 . . . . 74 GLN H . 26819 1 247 . 1 1 59 59 GLN C C 13 171.726 0.3 . 1 . . . . 74 GLN C . 26819 1 248 . 1 1 59 59 GLN CA C 13 54.585 0.3 . 1 . . . . 74 GLN CA . 26819 1 249 . 1 1 59 59 GLN CB C 13 22.835 0.3 . 1 . . . . 74 GLN CB . 26819 1 250 . 1 1 59 59 GLN N N 15 113.774 0.024 . 1 . . . . 74 GLN N . 26819 1 251 . 1 1 60 60 GLN H H 1 8.280 0.007 . 1 . . . . 75 GLN H . 26819 1 252 . 1 1 60 60 GLN C C 13 173.744 0.3 . 1 . . . . 75 GLN C . 26819 1 253 . 1 1 60 60 GLN CA C 13 50.838 0.3 . 1 . . . . 75 GLN CA . 26819 1 254 . 1 1 60 60 GLN CB C 13 24.122 0.3 . 1 . . . . 75 GLN CB . 26819 1 255 . 1 1 60 60 GLN N N 15 119.654 0.027 . 1 . . . . 75 GLN N . 26819 1 256 . 1 1 61 61 HIS H H 1 7.111 0.006 . 1 . . . . 76 HIS H . 26819 1 257 . 1 1 61 61 HIS C C 13 174.163 0.3 . 1 . . . . 76 HIS C . 26819 1 258 . 1 1 61 61 HIS CA C 13 59.161 0.3 . 1 . . . . 76 HIS CA . 26819 1 259 . 1 1 61 61 HIS CB C 13 27.846 0.3 . 1 . . . . 76 HIS CB . 26819 1 260 . 1 1 61 61 HIS N N 15 118.619 0.011 . 1 . . . . 76 HIS N . 26819 1 261 . 1 1 62 62 GLU H H 1 8.859 0.007 . 1 . . . . 77 GLU H . 26819 1 262 . 1 1 62 62 GLU C C 13 176.710 0.3 . 1 . . . . 77 GLU C . 26819 1 263 . 1 1 62 62 GLU CA C 13 57.723 0.3 . 1 . . . . 77 GLU CA . 26819 1 264 . 1 1 62 62 GLU CB C 13 25.889 0.3 . 1 . . . . 77 GLU CB . 26819 1 265 . 1 1 62 62 GLU N N 15 118.853 0.022 . 1 . . . . 77 GLU N . 26819 1 266 . 1 1 63 63 GLN H H 1 7.656 0.007 . 1 . . . . 78 GLN H . 26819 1 267 . 1 1 63 63 GLN C C 13 175.916 0.3 . 1 . . . . 78 GLN C . 26819 1 268 . 1 1 63 63 GLN CA C 13 56.412 0.3 . 1 . . . . 78 GLN CA . 26819 1 269 . 1 1 63 63 GLN CB C 13 24.017 0.3 . 1 . . . . 78 GLN CB . 26819 1 270 . 1 1 63 63 GLN N N 15 119.273 0.012 . 1 . . . . 78 GLN N . 26819 1 271 . 1 1 64 64 ALA H H 1 7.660 0.007 . 1 . . . . 79 ALA H . 26819 1 272 . 1 1 64 64 ALA C C 13 176.323 0.3 . 1 . . . . 79 ALA C . 26819 1 273 . 1 1 64 64 ALA CA C 13 53.151 0.3 . 1 . . . . 79 ALA CA . 26819 1 274 . 1 1 64 64 ALA CB C 13 16.277 0.3 . 1 . . . . 79 ALA CB . 26819 1 275 . 1 1 64 64 ALA N N 15 121.633 0.026 . 1 . . . . 79 ALA N . 26819 1 276 . 1 1 65 65 LEU H H 1 8.453 0.007 . 1 . . . . 80 LEU H . 26819 1 277 . 1 1 65 65 LEU C C 13 175.917 0.3 . 1 . . . . 80 LEU C . 26819 1 278 . 1 1 65 65 LEU CA C 13 56.923 0.3 . 1 . . . . 80 LEU CA . 26819 1 279 . 1 1 65 65 LEU CB C 13 39.622 0.3 . 1 . . . . 80 LEU CB . 26819 1 280 . 1 1 65 65 LEU N N 15 121.201 0.020 . 1 . . . . 80 LEU N . 26819 1 281 . 1 1 66 66 ALA H H 1 7.225 0.007 . 1 . . . . 81 ALA H . 26819 1 282 . 1 1 66 66 ALA C C 13 178.286 0.3 . 1 . . . . 81 ALA C . 26819 1 283 . 1 1 66 66 ALA CA C 13 52.458 0.3 . 1 . . . . 81 ALA CA . 26819 1 284 . 1 1 66 66 ALA CB C 13 15.266 0.3 . 1 . . . . 81 ALA CB . 26819 1 285 . 1 1 66 66 ALA N N 15 119.224 0.023 . 1 . . . . 81 ALA N . 26819 1 286 . 1 1 67 67 ASP H H 1 7.417 0.014 . 1 . . . . 82 ASP H . 26819 1 287 . 1 1 67 67 ASP C C 13 176.320 0.3 . 1 . . . . 82 ASP C . 26819 1 288 . 1 1 67 67 ASP CA C 13 55.233 0.3 . 1 . . . . 82 ASP CA . 26819 1 289 . 1 1 67 67 ASP CB C 13 37.844 0.3 . 1 . . . . 82 ASP CB . 26819 1 290 . 1 1 67 67 ASP N N 15 120.269 0.019 . 1 . . . . 82 ASP N . 26819 1 291 . 1 1 68 68 CYS H H 1 8.332 0.008 . 1 . . . . 83 CYS H . 26819 1 292 . 1 1 68 68 CYS C C 13 174.001 0.3 . 1 . . . . 83 CYS C . 26819 1 293 . 1 1 68 68 CYS CA C 13 62.602 0.3 . 1 . . . . 83 CYS CA . 26819 1 294 . 1 1 68 68 CYS CB C 13 24.901 0.3 . 1 . . . . 83 CYS CB . 26819 1 295 . 1 1 68 68 CYS N N 15 118.928 0.024 . 1 . . . . 83 CYS N . 26819 1 296 . 1 1 69 69 ARG H H 1 8.045 0.008 . 1 . . . . 84 ARG H . 26819 1 297 . 1 1 69 69 ARG C C 13 176.440 0.3 . 1 . . . . 84 ARG C . 26819 1 298 . 1 1 69 69 ARG CA C 13 57.080 0.3 . 1 . . . . 84 ARG CA . 26819 1 299 . 1 1 69 69 ARG CB C 13 26.669 0.3 . 1 . . . . 84 ARG CB . 26819 1 300 . 1 1 69 69 ARG N N 15 116.723 0.024 . 1 . . . . 84 ARG N . 26819 1 301 . 1 1 70 70 ARG H H 1 7.500 0.010 . 1 . . . . 85 ARG H . 26819 1 302 . 1 1 70 70 ARG C C 13 175.683 0.3 . 1 . . . . 85 ARG C . 26819 1 303 . 1 1 70 70 ARG CA C 13 55.410 0.3 . 1 . . . . 85 ARG CA . 26819 1 304 . 1 1 70 70 ARG CB C 13 26.277 0.3 . 1 . . . . 85 ARG CB . 26819 1 305 . 1 1 70 70 ARG N N 15 119.772 0.023 . 1 . . . . 85 ARG N . 26819 1 306 . 1 1 71 71 ALA H H 1 8.137 0.009 . 1 . . . . 86 ALA H . 26819 1 307 . 1 1 71 71 ALA C C 13 176.421 0.3 . 1 . . . . 86 ALA C . 26819 1 308 . 1 1 71 71 ALA CA C 13 53.178 0.3 . 1 . . . . 86 ALA CA . 26819 1 309 . 1 1 71 71 ALA CB C 13 16.509 0.3 . 1 . . . . 86 ALA CB . 26819 1 310 . 1 1 71 71 ALA N N 15 120.507 0.030 . 1 . . . . 86 ALA N . 26819 1 311 . 1 1 72 72 LEU H H 1 7.570 0.009 . 1 . . . . 87 LEU H . 26819 1 312 . 1 1 72 72 LEU C C 13 176.256 0.3 . 1 . . . . 87 LEU C . 26819 1 313 . 1 1 72 72 LEU CA C 13 53.639 0.3 . 1 . . . . 87 LEU CA . 26819 1 314 . 1 1 72 72 LEU CB C 13 39.199 0.3 . 1 . . . . 87 LEU CB . 26819 1 315 . 1 1 72 72 LEU N N 15 115.339 0.011 . 1 . . . . 87 LEU N . 26819 1 316 . 1 1 73 73 GLU H H 1 7.207 0.006 . 1 . . . . 88 GLU H . 26819 1 317 . 1 1 73 73 GLU C C 13 175.626 0.3 . 1 . . . . 88 GLU C . 26819 1 318 . 1 1 73 73 GLU CA C 13 55.695 0.3 . 1 . . . . 88 GLU CA . 26819 1 319 . 1 1 73 73 GLU CB C 13 26.956 0.3 . 1 . . . . 88 GLU CB . 26819 1 320 . 1 1 73 73 GLU N N 15 117.923 0.015 . 1 . . . . 88 GLU N . 26819 1 321 . 1 1 74 74 LEU H H 1 7.008 0.009 . 1 . . . . 89 LEU H . 26819 1 322 . 1 1 74 74 LEU C C 13 174.707 0.3 . 1 . . . . 89 LEU C . 26819 1 323 . 1 1 74 74 LEU CA C 13 53.310 0.3 . 1 . . . . 89 LEU CA . 26819 1 324 . 1 1 74 74 LEU CB C 13 41.035 0.3 . 1 . . . . 89 LEU CB . 26819 1 325 . 1 1 74 74 LEU N N 15 118.555 0.008 . 1 . . . . 89 LEU N . 26819 1 326 . 1 1 75 75 ASP H H 1 8.683 0.010 . 1 . . . . 90 ASP H . 26819 1 327 . 1 1 75 75 ASP C C 13 172.547 0.3 . 1 . . . . 90 ASP C . 26819 1 328 . 1 1 75 75 ASP CA C 13 50.176 0.3 . 1 . . . . 90 ASP CA . 26819 1 329 . 1 1 75 75 ASP CB C 13 38.148 0.3 . 1 . . . . 90 ASP CB . 26819 1 330 . 1 1 75 75 ASP N N 15 120.060 0.017 . 1 . . . . 90 ASP N . 26819 1 331 . 1 1 76 76 GLY H H 1 8.535 0.007 . 1 . . . . 91 GLY H . 26819 1 332 . 1 1 76 76 GLY C C 13 171.897 0.3 . 1 . . . . 91 GLY C . 26819 1 333 . 1 1 76 76 GLY CA C 13 44.013 0.3 . 1 . . . . 91 GLY CA . 26819 1 334 . 1 1 76 76 GLY N N 15 111.292 0.014 . 1 . . . . 91 GLY N . 26819 1 335 . 1 1 77 77 GLN H H 1 7.763 0.005 . 1 . . . . 92 GLN H . 26819 1 336 . 1 1 77 77 GLN C C 13 172.336 0.3 . 1 . . . . 92 GLN C . 26819 1 337 . 1 1 77 77 GLN CA C 13 51.216 0.3 . 1 . . . . 92 GLN CA . 26819 1 338 . 1 1 77 77 GLN CB C 13 25.949 0.3 . 1 . . . . 92 GLN CB . 26819 1 339 . 1 1 77 77 GLN N N 15 115.600 0.026 . 1 . . . . 92 GLN N . 26819 1 340 . 1 1 78 78 SER H H 1 6.764 0.005 . 1 . . . . 93 SER H . 26819 1 341 . 1 1 78 78 SER CA C 13 55.556 0.3 . 1 . . . . 93 SER CA . 26819 1 342 . 1 1 78 78 SER CB C 13 59.283 0.3 . 1 . . . . 93 SER CB . 26819 1 343 . 1 1 78 78 SER N N 15 110.581 0.012 . 1 . . . . 93 SER N . 26819 1 344 . 1 1 81 81 ALA H H 1 8.402 0.020 . 1 . . . . 96 ALA H . 26819 1 345 . 1 1 81 81 ALA C C 13 172.792 0.3 . 1 . . . . 96 ALA C . 26819 1 346 . 1 1 81 81 ALA CA C 13 49.625 0.3 . 1 . . . . 96 ALA CA . 26819 1 347 . 1 1 81 81 ALA CB C 13 16.425 0.3 . 1 . . . . 96 ALA CB . 26819 1 348 . 1 1 81 81 ALA N N 15 124.502 0.130 . 1 . . . . 96 ALA N . 26819 1 349 . 1 1 82 82 HIS H H 1 8.046 0.011 . 1 . . . . 97 HIS H . 26819 1 350 . 1 1 82 82 HIS C C 13 170.428 0.3 . 1 . . . . 97 HIS C . 26819 1 351 . 1 1 82 82 HIS CA C 13 55.562 0.3 . 1 . . . . 97 HIS CA . 26819 1 352 . 1 1 82 82 HIS CB C 13 25.457 0.3 . 1 . . . . 97 HIS CB . 26819 1 353 . 1 1 82 82 HIS N N 15 118.488 0.006 . 1 . . . . 97 HIS N . 26819 1 354 . 1 1 83 83 PHE H H 1 7.627 0.011 . 1 . . . . 98 PHE H . 26819 1 355 . 1 1 83 83 PHE CA C 13 56.322 0.3 . 1 . . . . 98 PHE CA . 26819 1 356 . 1 1 83 83 PHE CB C 13 36.626 0.3 . 1 . . . . 98 PHE CB . 26819 1 357 . 1 1 83 83 PHE N N 15 126.929 0.000 . 1 . . . . 98 PHE N . 26819 1 358 . 1 1 84 84 PHE C C 13 175.246 0.3 . 1 . . . . 99 PHE C . 26819 1 359 . 1 1 85 85 LEU H H 1 7.813 0.011 . 1 . . . . 100 LEU H . 26819 1 360 . 1 1 85 85 LEU C C 13 175.679 0.3 . 1 . . . . 100 LEU C . 26819 1 361 . 1 1 85 85 LEU CA C 13 56.131 0.3 . 1 . . . . 100 LEU CA . 26819 1 362 . 1 1 85 85 LEU CB C 13 39.589 0.3 . 1 . . . . 100 LEU CB . 26819 1 363 . 1 1 85 85 LEU N N 15 122.783 0.008 . 1 . . . . 100 LEU N . 26819 1 364 . 1 1 86 86 GLY H H 1 8.121 0.009 . 1 . . . . 101 GLY H . 26819 1 365 . 1 1 86 86 GLY C C 13 172.652 0.3 . 1 . . . . 101 GLY C . 26819 1 366 . 1 1 86 86 GLY CA C 13 44.721 0.3 . 1 . . . . 101 GLY CA . 26819 1 367 . 1 1 86 86 GLY N N 15 105.866 0.028 . 1 . . . . 101 GLY N . 26819 1 368 . 1 1 87 87 GLN H H 1 8.309 0.009 . 1 . . . . 102 GLN H . 26819 1 369 . 1 1 87 87 GLN C C 13 176.741 0.3 . 1 . . . . 102 GLN C . 26819 1 370 . 1 1 87 87 GLN CA C 13 56.221 0.3 . 1 . . . . 102 GLN CA . 26819 1 371 . 1 1 87 87 GLN CB C 13 26.381 0.3 . 1 . . . . 102 GLN CB . 26819 1 372 . 1 1 87 87 GLN N N 15 119.778 0.027 . 1 . . . . 102 GLN N . 26819 1 373 . 1 1 88 88 CYS H H 1 8.219 0.013 . 1 . . . . 103 CYS H . 26819 1 374 . 1 1 88 88 CYS C C 13 174.047 0.3 . 1 . . . . 103 CYS C . 26819 1 375 . 1 1 88 88 CYS CA C 13 61.305 0.3 . 1 . . . . 103 CYS CA . 26819 1 376 . 1 1 88 88 CYS CB C 13 24.514 0.3 . 1 . . . . 103 CYS CB . 26819 1 377 . 1 1 88 88 CYS N N 15 118.851 0.006 . 1 . . . . 103 CYS N . 26819 1 378 . 1 1 89 89 GLN H H 1 8.454 0.006 . 1 . . . . 104 GLN H . 26819 1 379 . 1 1 89 89 GLN C C 13 175.614 0.3 . 1 . . . . 104 GLN C . 26819 1 380 . 1 1 89 89 GLN CA C 13 56.466 0.3 . 1 . . . . 104 GLN CA . 26819 1 381 . 1 1 89 89 GLN CB C 13 24.264 0.3 . 1 . . . . 104 GLN CB . 26819 1 382 . 1 1 89 89 GLN N N 15 118.285 0.028 . 1 . . . . 104 GLN N . 26819 1 383 . 1 1 90 90 LEU H H 1 8.335 0.005 . 1 . . . . 105 LEU H . 26819 1 384 . 1 1 90 90 LEU C C 13 177.743 0.3 . 1 . . . . 105 LEU C . 26819 1 385 . 1 1 90 90 LEU CA C 13 55.706 0.3 . 1 . . . . 105 LEU CA . 26819 1 386 . 1 1 90 90 LEU CB C 13 39.221 0.3 . 1 . . . . 105 LEU CB . 26819 1 387 . 1 1 90 90 LEU N N 15 121.757 0.021 . 1 . . . . 105 LEU N . 26819 1 388 . 1 1 91 91 GLU H H 1 7.372 0.006 . 1 . . . . 106 GLU H . 26819 1 389 . 1 1 91 91 GLU C C 13 175.005 0.3 . 1 . . . . 106 GLU C . 26819 1 390 . 1 1 91 91 GLU CA C 13 55.663 0.3 . 1 . . . . 106 GLU CA . 26819 1 391 . 1 1 91 91 GLU CB C 13 25.428 0.3 . 1 . . . . 106 GLU CB . 26819 1 392 . 1 1 91 91 GLU N N 15 120.111 0.029 . 1 . . . . 106 GLU N . 26819 1 393 . 1 1 92 92 MET H H 1 7.133 0.007 . 1 . . . . 107 MET H . 26819 1 394 . 1 1 92 92 MET C C 13 171.774 0.3 . 1 . . . . 107 MET C . 26819 1 395 . 1 1 92 92 MET CA C 13 52.874 0.3 . 1 . . . . 107 MET CA . 26819 1 396 . 1 1 92 92 MET CB C 13 30.510 0.3 . 1 . . . . 107 MET CB . 26819 1 397 . 1 1 92 92 MET N N 15 115.306 0.014 . 1 . . . . 107 MET N . 26819 1 398 . 1 1 93 93 GLU H H 1 7.417 0.006 . 1 . . . . 108 GLU H . 26819 1 399 . 1 1 93 93 GLU C C 13 171.774 0.3 . 1 . . . . 108 GLU C . 26819 1 400 . 1 1 93 93 GLU CA C 13 54.911 0.3 . 1 . . . . 108 GLU CA . 26819 1 401 . 1 1 93 93 GLU CB C 13 23.187 0.3 . 1 . . . . 108 GLU CB . 26819 1 402 . 1 1 93 93 GLU N N 15 112.260 0.020 . 1 . . . . 108 GLU N . 26819 1 403 . 1 1 94 94 SER H H 1 8.005 0.007 . 1 . . . . 109 SER H . 26819 1 404 . 1 1 94 94 SER C C 13 172.864 0.3 . 1 . . . . 109 SER C . 26819 1 405 . 1 1 94 94 SER CA C 13 52.116 0.3 . 1 . . . . 109 SER CA . 26819 1 406 . 1 1 94 94 SER CB C 13 58.795 0.3 . 1 . . . . 109 SER CB . 26819 1 407 . 1 1 94 94 SER N N 15 116.696 0.016 . 1 . . . . 109 SER N . 26819 1 408 . 1 1 95 95 TYR H H 1 6.814 0.008 . 1 . . . . 110 TYR H . 26819 1 409 . 1 1 95 95 TYR C C 13 174.365 0.3 . 1 . . . . 110 TYR C . 26819 1 410 . 1 1 95 95 TYR CA C 13 60.079 0.3 . 1 . . . . 110 TYR CA . 26819 1 411 . 1 1 95 95 TYR CB C 13 36.116 0.3 . 1 . . . . 110 TYR CB . 26819 1 412 . 1 1 95 95 TYR N N 15 117.259 0.018 . 1 . . . . 110 TYR N . 26819 1 413 . 1 1 96 96 ASP H H 1 8.370 0.007 . 1 . . . . 111 ASP H . 26819 1 414 . 1 1 96 96 ASP C C 13 175.517 0.3 . 1 . . . . 111 ASP C . 26819 1 415 . 1 1 96 96 ASP CA C 13 55.465 0.3 . 1 . . . . 111 ASP CA . 26819 1 416 . 1 1 96 96 ASP CB C 13 36.901 0.3 . 1 . . . . 111 ASP CB . 26819 1 417 . 1 1 96 96 ASP N N 15 118.458 0.013 . 1 . . . . 111 ASP N . 26819 1 418 . 1 1 97 97 GLU H H 1 8.485 0.008 . 1 . . . . 112 GLU H . 26819 1 419 . 1 1 97 97 GLU C C 13 174.992 0.3 . 1 . . . . 112 GLU C . 26819 1 420 . 1 1 97 97 GLU CA C 13 56.879 0.3 . 1 . . . . 112 GLU CA . 26819 1 421 . 1 1 97 97 GLU CB C 13 26.897 0.3 . 1 . . . . 112 GLU CB . 26819 1 422 . 1 1 97 97 GLU N N 15 121.753 0.026 . 1 . . . . 112 GLU N . 26819 1 423 . 1 1 98 98 ALA H H 1 7.819 0.006 . 1 . . . . 113 ALA H . 26819 1 424 . 1 1 98 98 ALA C C 13 177.404 0.3 . 1 . . . . 113 ALA C . 26819 1 425 . 1 1 98 98 ALA CA C 13 52.588 0.3 . 1 . . . . 113 ALA CA . 26819 1 426 . 1 1 98 98 ALA CB C 13 16.373 0.3 . 1 . . . . 113 ALA CB . 26819 1 427 . 1 1 98 98 ALA N N 15 120.461 0.022 . 1 . . . . 113 ALA N . 26819 1 428 . 1 1 99 99 ILE H H 1 8.159 0.004 . 1 . . . . 114 ILE H . 26819 1 429 . 1 1 99 99 ILE C C 13 174.446 0.3 . 1 . . . . 114 ILE C . 26819 1 430 . 1 1 99 99 ILE CA C 13 63.194 0.3 . 1 . . . . 114 ILE CA . 26819 1 431 . 1 1 99 99 ILE CB C 13 35.723 0.3 . 1 . . . . 114 ILE CB . 26819 1 432 . 1 1 99 99 ILE N N 15 116.457 0.022 . 1 . . . . 114 ILE N . 26819 1 433 . 1 1 100 100 ALA H H 1 7.545 0.007 . 1 . . . . 115 ALA H . 26819 1 434 . 1 1 100 100 ALA C C 13 178.864 0.3 . 1 . . . . 115 ALA C . 26819 1 435 . 1 1 100 100 ALA CA C 13 52.784 0.3 . 1 . . . . 115 ALA CA . 26819 1 436 . 1 1 100 100 ALA CB C 13 15.010 0.3 . 1 . . . . 115 ALA CB . 26819 1 437 . 1 1 100 100 ALA N N 15 121.196 0.012 . 1 . . . . 115 ALA N . 26819 1 438 . 1 1 101 101 ASN H H 1 8.298 0.009 . 1 . . . . 116 ASN H . 26819 1 439 . 1 1 101 101 ASN C C 13 175.045 0.3 . 1 . . . . 116 ASN C . 26819 1 440 . 1 1 101 101 ASN CA C 13 55.069 0.3 . 1 . . . . 116 ASN CA . 26819 1 441 . 1 1 101 101 ASN CB C 13 35.616 0.3 . 1 . . . . 116 ASN CB . 26819 1 442 . 1 1 101 101 ASN N N 15 117.522 0.018 . 1 . . . . 116 ASN N . 26819 1 443 . 1 1 102 102 LEU H H 1 8.812 0.009 . 1 . . . . 117 LEU H . 26819 1 444 . 1 1 102 102 LEU C C 13 176.235 0.3 . 1 . . . . 117 LEU C . 26819 1 445 . 1 1 102 102 LEU CA C 13 55.475 0.3 . 1 . . . . 117 LEU CA . 26819 1 446 . 1 1 102 102 LEU CB C 13 39.792 0.3 . 1 . . . . 117 LEU CB . 26819 1 447 . 1 1 102 102 LEU N N 15 122.269 0.015 . 1 . . . . 117 LEU N . 26819 1 448 . 1 1 103 103 GLN H H 1 8.783 0.006 . 1 . . . . 118 GLN H . 26819 1 449 . 1 1 103 103 GLN C C 13 176.501 0.3 . 1 . . . . 118 GLN C . 26819 1 450 . 1 1 103 103 GLN CA C 13 56.332 0.3 . 1 . . . . 118 GLN CA . 26819 1 451 . 1 1 103 103 GLN CB C 13 25.190 0.3 . 1 . . . . 118 GLN CB . 26819 1 452 . 1 1 103 103 GLN N N 15 118.657 0.017 . 1 . . . . 118 GLN N . 26819 1 453 . 1 1 104 104 ARG H H 1 7.948 0.005 . 1 . . . . 119 ARG H . 26819 1 454 . 1 1 104 104 ARG C C 13 175.315 0.3 . 1 . . . . 119 ARG C . 26819 1 455 . 1 1 104 104 ARG CA C 13 55.949 0.3 . 1 . . . . 119 ARG CA . 26819 1 456 . 1 1 104 104 ARG CB C 13 26.233 0.3 . 1 . . . . 119 ARG CB . 26819 1 457 . 1 1 104 104 ARG N N 15 121.299 0.007 . 1 . . . . 119 ARG N . 26819 1 458 . 1 1 105 105 ALA H H 1 8.335 0.007 . 1 . . . . 120 ALA H . 26819 1 459 . 1 1 105 105 ALA C C 13 175.535 0.3 . 1 . . . . 120 ALA C . 26819 1 460 . 1 1 105 105 ALA CA C 13 53.293 0.3 . 1 . . . . 120 ALA CA . 26819 1 461 . 1 1 105 105 ALA CB C 13 14.912 0.3 . 1 . . . . 120 ALA CB . 26819 1 462 . 1 1 105 105 ALA N N 15 120.246 0.023 . 1 . . . . 120 ALA N . 26819 1 463 . 1 1 106 106 TYR H H 1 8.137 0.013 . 1 . . . . 121 TYR H . 26819 1 464 . 1 1 106 106 TYR C C 13 174.876 0.3 . 1 . . . . 121 TYR C . 26819 1 465 . 1 1 106 106 TYR CA C 13 57.777 0.3 . 1 . . . . 121 TYR CA . 26819 1 466 . 1 1 106 106 TYR CB C 13 35.144 0.3 . 1 . . . . 121 TYR CB . 26819 1 467 . 1 1 106 106 TYR N N 15 116.467 0.047 . 1 . . . . 121 TYR N . 26819 1 468 . 1 1 107 107 SER H H 1 8.378 0.004 . 1 . . . . 122 SER H . 26819 1 469 . 1 1 107 107 SER C C 13 174.979 0.3 . 1 . . . . 122 SER C . 26819 1 470 . 1 1 107 107 SER CA C 13 59.936 0.3 . 1 . . . . 122 SER CA . 26819 1 471 . 1 1 107 107 SER CB C 13 60.195 0.3 . 1 . . . . 122 SER CB . 26819 1 472 . 1 1 107 107 SER N N 15 115.434 0.005 . 1 . . . . 122 SER N . 26819 1 473 . 1 1 108 108 LEU H H 1 8.702 0.006 . 1 . . . . 123 LEU H . 26819 1 474 . 1 1 108 108 LEU C C 13 177.083 0.3 . 1 . . . . 123 LEU C . 26819 1 475 . 1 1 108 108 LEU CA C 13 55.133 0.3 . 1 . . . . 123 LEU CA . 26819 1 476 . 1 1 108 108 LEU CB C 13 40.412 0.3 . 1 . . . . 123 LEU CB . 26819 1 477 . 1 1 108 108 LEU N N 15 123.427 0.016 . 1 . . . . 123 LEU N . 26819 1 478 . 1 1 109 109 ALA H H 1 8.485 0.009 . 1 . . . . 124 ALA H . 26819 1 479 . 1 1 109 109 ALA C C 13 176.919 0.3 . 1 . . . . 124 ALA C . 26819 1 480 . 1 1 109 109 ALA CA C 13 53.346 0.3 . 1 . . . . 124 ALA CA . 26819 1 481 . 1 1 109 109 ALA CB C 13 14.516 0.3 . 1 . . . . 124 ALA CB . 26819 1 482 . 1 1 109 109 ALA N N 15 121.745 0.017 . 1 . . . . 124 ALA N . 26819 1 483 . 1 1 110 110 LYS H H 1 7.587 0.007 . 1 . . . . 125 LYS H . 26819 1 484 . 1 1 110 110 LYS C C 13 178.039 0.3 . 1 . . . . 125 LYS C . 26819 1 485 . 1 1 110 110 LYS CA C 13 56.460 0.3 . 1 . . . . 125 LYS CA . 26819 1 486 . 1 1 110 110 LYS CB C 13 29.076 0.3 . 1 . . . . 125 LYS CB . 26819 1 487 . 1 1 110 110 LYS N N 15 117.063 0.010 . 1 . . . . 125 LYS N . 26819 1 488 . 1 1 111 111 GLU H H 1 7.878 0.004 . 1 . . . . 126 GLU H . 26819 1 489 . 1 1 111 111 GLU C C 13 175.932 0.3 . 1 . . . . 126 GLU C . 26819 1 490 . 1 1 111 111 GLU CA C 13 56.703 0.3 . 1 . . . . 126 GLU CA . 26819 1 491 . 1 1 111 111 GLU CB C 13 27.160 0.3 . 1 . . . . 126 GLU CB . 26819 1 492 . 1 1 111 111 GLU N N 15 121.182 0.019 . 1 . . . . 126 GLU N . 26819 1 493 . 1 1 112 112 GLN H H 1 8.037 0.004 . 1 . . . . 127 GLN H . 26819 1 494 . 1 1 112 112 GLN C C 13 171.566 0.3 . 1 . . . . 127 GLN C . 26819 1 495 . 1 1 112 112 GLN CA C 13 53.522 0.3 . 1 . . . . 127 GLN CA . 26819 1 496 . 1 1 112 112 GLN CB C 13 26.294 0.3 . 1 . . . . 127 GLN CB . 26819 1 497 . 1 1 112 112 GLN N N 15 115.621 0.021 . 1 . . . . 127 GLN N . 26819 1 498 . 1 1 113 113 ARG H H 1 7.618 0.008 . 1 . . . . 128 ARG H . 26819 1 499 . 1 1 113 113 ARG C C 13 175.310 0.3 . 1 . . . . 128 ARG C . 26819 1 500 . 1 1 113 113 ARG CA C 13 54.258 0.3 . 1 . . . . 128 ARG CA . 26819 1 501 . 1 1 113 113 ARG CB C 13 23.322 0.3 . 1 . . . . 128 ARG CB . 26819 1 502 . 1 1 113 113 ARG N N 15 115.967 0.022 . 1 . . . . 128 ARG N . 26819 1 503 . 1 1 114 114 LEU H H 1 8.058 0.012 . 1 . . . . 129 LEU H . 26819 1 504 . 1 1 114 114 LEU CA C 13 50.949 0.3 . 1 . . . . 129 LEU CA . 26819 1 505 . 1 1 114 114 LEU CB C 13 40.570 0.3 . 1 . . . . 129 LEU CB . 26819 1 506 . 1 1 114 114 LEU N N 15 118.500 0.018 . 1 . . . . 129 LEU N . 26819 1 507 . 1 1 116 116 PHE C C 13 172.915 0.3 . 1 . . . . 131 PHE C . 26819 1 508 . 1 1 116 116 PHE CA C 13 52.478 0.3 . 1 . . . . 131 PHE CA . 26819 1 509 . 1 1 116 116 PHE CB C 13 35.822 0.3 . 1 . . . . 131 PHE CB . 26819 1 510 . 1 1 117 117 GLY H H 1 8.139 0.012 . 1 . . . . 132 GLY H . 26819 1 511 . 1 1 117 117 GLY CA C 13 44.402 0.3 . 1 . . . . 132 GLY CA . 26819 1 512 . 1 1 117 117 GLY N N 15 107.904 0.049 . 1 . . . . 132 GLY N . 26819 1 513 . 1 1 121 121 PRO C C 13 176.861 0.3 . 1 . . . . 136 PRO C . 26819 1 514 . 1 1 121 121 PRO CA C 13 63.398 0.3 . 1 . . . . 136 PRO CA . 26819 1 515 . 1 1 121 121 PRO CB C 13 28.002 0.3 . 1 . . . . 136 PRO CB . 26819 1 516 . 1 1 122 122 SER H H 1 8.245 0.011 . 1 . . . . 137 SER H . 26819 1 517 . 1 1 122 122 SER C C 13 173.344 0.3 . 1 . . . . 137 SER C . 26819 1 518 . 1 1 122 122 SER CA C 13 59.970 0.3 . 1 . . . . 137 SER CA . 26819 1 519 . 1 1 122 122 SER CB C 13 60.287 0.3 . 1 . . . . 137 SER CB . 26819 1 520 . 1 1 122 122 SER N N 15 112.245 0.015 . 1 . . . . 137 SER N . 26819 1 521 . 1 1 123 123 ALA H H 1 7.542 0.007 . 1 . . . . 138 ALA H . 26819 1 522 . 1 1 123 123 ALA C C 13 177.668 0.3 . 1 . . . . 138 ALA C . 26819 1 523 . 1 1 123 123 ALA CA C 13 52.256 0.3 . 1 . . . . 138 ALA CA . 26819 1 524 . 1 1 123 123 ALA CB C 13 16.326 0.3 . 1 . . . . 138 ALA CB . 26819 1 525 . 1 1 123 123 ALA N N 15 124.113 0.011 . 1 . . . . 138 ALA N . 26819 1 526 . 1 1 124 124 LEU H H 1 8.174 0.011 . 1 . . . . 139 LEU H . 26819 1 527 . 1 1 124 124 LEU C C 13 175.314 0.3 . 1 . . . . 139 LEU C . 26819 1 528 . 1 1 124 124 LEU CA C 13 55.631 0.3 . 1 . . . . 139 LEU CA . 26819 1 529 . 1 1 124 124 LEU CB C 13 40.082 0.3 . 1 . . . . 139 LEU CB . 26819 1 530 . 1 1 124 124 LEU N N 15 119.133 0.001 . 1 . . . . 139 LEU N . 26819 1 531 . 1 1 125 125 ARG H H 1 8.026 0.010 . 1 . . . . 140 ARG H . 26819 1 532 . 1 1 125 125 ARG C C 13 177.442 0.3 . 1 . . . . 140 ARG C . 26819 1 533 . 1 1 125 125 ARG CA C 13 57.459 0.3 . 1 . . . . 140 ARG CA . 26819 1 534 . 1 1 125 125 ARG CB C 13 27.657 0.3 . 1 . . . . 140 ARG CB . 26819 1 535 . 1 1 125 125 ARG N N 15 118.788 0.008 . 1 . . . . 140 ARG N . 26819 1 536 . 1 1 126 126 ILE H H 1 7.882 0.008 . 1 . . . . 141 ILE H . 26819 1 537 . 1 1 126 126 ILE C C 13 175.193 0.3 . 1 . . . . 141 ILE C . 26819 1 538 . 1 1 126 126 ILE CA C 13 62.085 0.3 . 1 . . . . 141 ILE CA . 26819 1 539 . 1 1 126 126 ILE CB C 13 35.317 0.3 . 1 . . . . 141 ILE CB . 26819 1 540 . 1 1 126 126 ILE N N 15 120.720 0.008 . 1 . . . . 141 ILE N . 26819 1 541 . 1 1 127 127 ALA H H 1 8.350 0.008 . 1 . . . . 142 ALA H . 26819 1 542 . 1 1 127 127 ALA C C 13 176.541 0.3 . 1 . . . . 142 ALA C . 26819 1 543 . 1 1 127 127 ALA CA C 13 52.862 0.3 . 1 . . . . 142 ALA CA . 26819 1 544 . 1 1 127 127 ALA CB C 13 16.998 0.3 . 1 . . . . 142 ALA CB . 26819 1 545 . 1 1 127 127 ALA N N 15 122.445 0.019 . 1 . . . . 142 ALA N . 26819 1 546 . 1 1 128 128 LYS H H 1 8.175 0.013 . 1 . . . . 143 LYS H . 26819 1 547 . 1 1 128 128 LYS C C 13 176.490 0.3 . 1 . . . . 143 LYS C . 26819 1 548 . 1 1 128 128 LYS CA C 13 57.366 0.3 . 1 . . . . 143 LYS CA . 26819 1 549 . 1 1 128 128 LYS CB C 13 29.884 0.3 . 1 . . . . 143 LYS CB . 26819 1 550 . 1 1 128 128 LYS N N 15 115.539 0.017 . 1 . . . . 143 LYS N . 26819 1 551 . 1 1 129 129 LYS H H 1 7.669 0.006 . 1 . . . . 144 LYS H . 26819 1 552 . 1 1 129 129 LYS C C 13 175.774 0.3 . 1 . . . . 144 LYS C . 26819 1 553 . 1 1 129 129 LYS CA C 13 56.264 0.3 . 1 . . . . 144 LYS CA . 26819 1 554 . 1 1 129 129 LYS CB C 13 29.355 0.3 . 1 . . . . 144 LYS CB . 26819 1 555 . 1 1 129 129 LYS N N 15 121.180 0.008 . 1 . . . . 144 LYS N . 26819 1 556 . 1 1 130 130 LYS H H 1 8.335 0.006 . 1 . . . . 145 LYS H . 26819 1 557 . 1 1 130 130 LYS C C 13 176.316 0.3 . 1 . . . . 145 LYS C . 26819 1 558 . 1 1 130 130 LYS CA C 13 56.838 0.3 . 1 . . . . 145 LYS CA . 26819 1 559 . 1 1 130 130 LYS CB C 13 29.312 0.3 . 1 . . . . 145 LYS CB . 26819 1 560 . 1 1 130 130 LYS N N 15 119.295 0.010 . 1 . . . . 145 LYS N . 26819 1 561 . 1 1 131 131 ARG H H 1 7.820 0.008 . 1 . . . . 146 ARG H . 26819 1 562 . 1 1 131 131 ARG C C 13 175.218 0.3 . 1 . . . . 146 ARG C . 26819 1 563 . 1 1 131 131 ARG CA C 13 56.266 0.3 . 1 . . . . 146 ARG CA . 26819 1 564 . 1 1 131 131 ARG CB C 13 38.790 0.3 . 1 . . . . 146 ARG CB . 26819 1 565 . 1 1 131 131 ARG N N 15 119.248 0.013 . 1 . . . . 146 ARG N . 26819 1 566 . 1 1 132 132 TRP H H 1 7.932 0.005 . 1 . . . . 147 TRP H . 26819 1 567 . 1 1 132 132 TRP C C 13 174.918 0.3 . 1 . . . . 147 TRP C . 26819 1 568 . 1 1 132 132 TRP CA C 13 57.352 0.3 . 1 . . . . 147 TRP CA . 26819 1 569 . 1 1 132 132 TRP CB C 13 26.245 0.3 . 1 . . . . 147 TRP CB . 26819 1 570 . 1 1 132 132 TRP N N 15 120.134 0.017 . 1 . . . . 147 TRP N . 26819 1 571 . 1 1 133 133 ASN H H 1 8.316 0.008 . 1 . . . . 148 ASN H . 26819 1 572 . 1 1 133 133 ASN C C 13 173.662 0.3 . 1 . . . . 148 ASN C . 26819 1 573 . 1 1 133 133 ASN CA C 13 52.659 0.3 . 1 . . . . 148 ASN CA . 26819 1 574 . 1 1 133 133 ASN CB C 13 35.805 0.3 . 1 . . . . 148 ASN CB . 26819 1 575 . 1 1 133 133 ASN N N 15 116.934 0.011 . 1 . . . . 148 ASN N . 26819 1 576 . 1 1 134 134 SER H H 1 7.629 0.007 . 1 . . . . 149 SER H . 26819 1 577 . 1 1 134 134 SER C C 13 172.743 0.3 . 1 . . . . 149 SER C . 26819 1 578 . 1 1 134 134 SER CA C 13 57.602 0.3 . 1 . . . . 149 SER CA . 26819 1 579 . 1 1 134 134 SER CB C 13 60.798 0.3 . 1 . . . . 149 SER CB . 26819 1 580 . 1 1 134 134 SER N N 15 114.381 0.008 . 1 . . . . 149 SER N . 26819 1 581 . 1 1 135 135 ILE H H 1 7.513 0.006 . 1 . . . . 150 ILE H . 26819 1 582 . 1 1 135 135 ILE C C 13 174.727 0.3 . 1 . . . . 150 ILE C . 26819 1 583 . 1 1 135 135 ILE CA C 13 60.138 0.3 . 1 . . . . 150 ILE CA . 26819 1 584 . 1 1 135 135 ILE CB C 13 35.733 0.3 . 1 . . . . 150 ILE CB . 26819 1 585 . 1 1 135 135 ILE N N 15 121.127 0.014 . 1 . . . . 150 ILE N . 26819 1 586 . 1 1 136 136 GLU H H 1 7.904 0.006 . 1 . . . . 151 GLU H . 26819 1 587 . 1 1 136 136 GLU C C 13 174.521 0.3 . 1 . . . . 151 GLU C . 26819 1 588 . 1 1 136 136 GLU CA C 13 54.826 0.3 . 1 . . . . 151 GLU CA . 26819 1 589 . 1 1 136 136 GLU CB C 13 27.137 0.3 . 1 . . . . 151 GLU CB . 26819 1 590 . 1 1 136 136 GLU N N 15 121.481 0.019 . 1 . . . . 151 GLU N . 26819 1 591 . 1 1 137 137 GLU H H 1 7.923 0.006 . 1 . . . . 152 GLU H . 26819 1 592 . 1 1 137 137 GLU C C 13 173.699 0.3 . 1 . . . . 152 GLU C . 26819 1 593 . 1 1 137 137 GLU CA C 13 54.224 0.3 . 1 . . . . 152 GLU CA . 26819 1 594 . 1 1 137 137 GLU CB C 13 27.206 0.3 . 1 . . . . 152 GLU CB . 26819 1 595 . 1 1 137 137 GLU N N 15 119.530 0.009 . 1 . . . . 152 GLU N . 26819 1 596 . 1 1 138 138 ARG H H 1 7.824 0.007 . 1 . . . . 153 ARG H . 26819 1 597 . 1 1 138 138 ARG C C 13 172.677 0.3 . 1 . . . . 153 ARG C . 26819 1 598 . 1 1 138 138 ARG CA C 13 53.425 0.3 . 1 . . . . 153 ARG CA . 26819 1 599 . 1 1 138 138 ARG CB C 13 27.554 0.3 . 1 . . . . 153 ARG CB . 26819 1 600 . 1 1 138 138 ARG N N 15 121.225 0.014 . 1 . . . . 153 ARG N . 26819 1 601 . 1 1 139 139 ARG H H 1 7.737 0.008 . 1 . . . . 154 ARG H . 26819 1 602 . 1 1 139 139 ARG CA C 13 55.044 0.3 . 1 . . . . 154 ARG CA . 26819 1 603 . 1 1 139 139 ARG CB C 13 28.663 0.3 . 1 . . . . 154 ARG CB . 26819 1 604 . 1 1 139 139 ARG N N 15 127.482 0.013 . 1 . . . . 154 ARG N . 26819 1 stop_ save_