data_5816 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5816 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignment of The Dimer Yeast Peroxiredoxin YLR109w ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-06-04 _Entry.Accession_date 2003-06-04 _Entry.Last_release_date 2003-12-18 _Entry.Original_release_date 2003-12-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Xavier Trivelli . . . 5816 2 Isabelle Krimm . . . 5816 3 Pascale Tsan . . . 5816 4 Jean-Marc Lancelin . . . 5816 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5816 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 513 5816 '15N chemical shifts' 162 5816 '1H chemical shifts' 168 5816 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-12-18 2003-06-04 original author . 5816 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5816 _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 ; Letter to the Editor: 1H, 13C and 15N backbone resonance assignments of the dimeric yeast peroxiredoxin YLR109w ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _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 95 _Citation.Page_last 96 _Citation.Year 2004 _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 Xavier Trivelli . . . 5816 1 2 Isabelle Krimm . . . 5816 1 3 Lionel Verdoucq . . . 5816 1 4 Yvette Chartier . . . 5816 1 5 Pascale Tsan . . . 5816 1 6 Yves Meyer . . . 5816 1 7 Jean-Marc Lancelin . . . 5816 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5816 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10391912 _Citation.Full_citation ; Verdoucq L, Vignols F, Jacquot JP, Chartier Y, Meyer Y. In vivo characterization of a thioredoxin h target protein defines a new peroxiredoxin family. J Biol Chem. 1999 Jul 9;274(28):19714-22. ; _Citation.Title . _Citation.Status . _Citation.Type . _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 . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_YLR109w _Assembly.Sf_category assembly _Assembly.Sf_framecode system_YLR109w _Assembly.Entry_ID 5816 _Assembly.ID 1 _Assembly.Name 'YLR109w dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 1.6.4.- _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5816 1 stop_ 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 'YLR109w subunit 1' 1 $YLR109w . . . reduced . . 1 . . 5816 1 2 'YLR109w subunit 2' 1 $YLR109w . . . reduced . . 1 . . 5816 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID YLR109w abbreviation 5816 1 'YLR109w dimer' system 5816 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'alkyl hydroperoxyde reductase' 5816 1 peroxydase 5816 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YLR109w _Entity.Sf_category entity _Entity.Sf_framecode YLR109w _Entity.Entry_ID 5816 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YLR109w _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 ; MSDLVNKKFPAGDYKFQYIA ISQSDADSESCKMPQTVEWS KLISENKKVIITGAPAAFSP TCTVSHIPGYINYLDELVKE KEVDQVIVVTVDNPFANQAW AKSLGVKDTTHIKFASDPGC AFTKSIGFELAVGDGVYWSG RWAMVVENGIVTYAAKETNP GTDVTVSSVESVLAHL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 176 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19115 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 4DSQ . "Crystal Structure Of Peroxiredoxin Ahp1 From Saccharomyces Cerevisiae In Oxidized Form" . . . . . 100.00 184 100.00 100.00 4.80e-125 . . . . 5816 1 2 no PDB 4DSR . "Crystal Structure Of Peroxiredoxin Ahp1 From Saccharomyces Cerevisiae In Reduced Form" . . . . . 100.00 184 100.00 100.00 4.80e-125 . . . . 5816 1 3 no PDB 4DSS . "Crystal Structure Of Peroxiredoxin Ahp1 From Saccharomyces Cerevisiae In Complex With Thioredoxin Trx2" . . . . . 100.00 176 99.43 99.43 9.35e-124 . . . . 5816 1 4 no PDB 4H86 . "Crystal Structure Of Ahp1 From Saccharomyces Cerevisiae In Reduced Form" . . . . . 100.00 199 100.00 100.00 2.43e-125 . . . . 5816 1 5 no DBJ GAA24996 . "K7_Ahp1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 176 100.00 100.00 4.01e-125 . . . . 5816 1 6 no EMBL CAA61687 . "L2916 [Saccharomyces cerevisiae]" . . . . . 100.00 176 100.00 100.00 4.01e-125 . . . . 5816 1 7 no EMBL CAA97676 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 100.00 176 100.00 100.00 4.01e-125 . . . . 5816 1 8 no EMBL CAY81346 . "Ahp1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 176 100.00 100.00 4.01e-125 . . . . 5816 1 9 no GB AAB67554 . "Ylr109wp [Saccharomyces cerevisiae]" . . . . . 100.00 176 100.00 100.00 4.01e-125 . . . . 5816 1 10 no GB AHY78511 . "Ahp1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 176 100.00 100.00 4.01e-125 . . . . 5816 1 11 no GB EDN59654 . "alkyl hydroperoxide reductase [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 176 100.00 100.00 4.01e-125 . . . . 5816 1 12 no GB EDV09411 . "alkyl hydroperoxide reductase [Saccharomyces cerevisiae RM11-1a]" . . . . . 100.00 176 100.00 100.00 4.01e-125 . . . . 5816 1 13 no GB EDZ70648 . "YLR109Wp-like protein [Saccharomyces cerevisiae AWRI1631]" . . . . . 100.00 176 100.00 100.00 4.01e-125 . . . . 5816 1 14 no REF NP_013210 . "Ahp1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 176 100.00 100.00 4.01e-125 . . . . 5816 1 15 no SP P38013 . "RecName: Full=Peroxiredoxin type-2; AltName: Full=AHPC1; AltName: Full=Cytoplasmic thiol peroxidase 3; Short=cTPx 3; AltName: F" . . . . . 100.00 176 100.00 100.00 4.01e-125 . . . . 5816 1 16 no TPG DAA09425 . "TPA: Ahp1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 176 100.00 100.00 4.01e-125 . . . . 5816 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ahp1 variant 5816 1 YLR109w abbreviation 5816 1 YLR109w common 5816 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 . 5816 1 2 . SER . 5816 1 3 . ASP . 5816 1 4 . LEU . 5816 1 5 . VAL . 5816 1 6 . ASN . 5816 1 7 . LYS . 5816 1 8 . LYS . 5816 1 9 . PHE . 5816 1 10 . PRO . 5816 1 11 . ALA . 5816 1 12 . GLY . 5816 1 13 . ASP . 5816 1 14 . TYR . 5816 1 15 . LYS . 5816 1 16 . PHE . 5816 1 17 . GLN . 5816 1 18 . TYR . 5816 1 19 . ILE . 5816 1 20 . ALA . 5816 1 21 . ILE . 5816 1 22 . SER . 5816 1 23 . GLN . 5816 1 24 . SER . 5816 1 25 . ASP . 5816 1 26 . ALA . 5816 1 27 . ASP . 5816 1 28 . SER . 5816 1 29 . GLU . 5816 1 30 . SER . 5816 1 31 . CYS . 5816 1 32 . LYS . 5816 1 33 . MET . 5816 1 34 . PRO . 5816 1 35 . GLN . 5816 1 36 . THR . 5816 1 37 . VAL . 5816 1 38 . GLU . 5816 1 39 . TRP . 5816 1 40 . SER . 5816 1 41 . LYS . 5816 1 42 . LEU . 5816 1 43 . ILE . 5816 1 44 . SER . 5816 1 45 . GLU . 5816 1 46 . ASN . 5816 1 47 . LYS . 5816 1 48 . LYS . 5816 1 49 . VAL . 5816 1 50 . ILE . 5816 1 51 . ILE . 5816 1 52 . THR . 5816 1 53 . GLY . 5816 1 54 . ALA . 5816 1 55 . PRO . 5816 1 56 . ALA . 5816 1 57 . ALA . 5816 1 58 . PHE . 5816 1 59 . SER . 5816 1 60 . PRO . 5816 1 61 . THR . 5816 1 62 . CYS . 5816 1 63 . THR . 5816 1 64 . VAL . 5816 1 65 . SER . 5816 1 66 . HIS . 5816 1 67 . ILE . 5816 1 68 . PRO . 5816 1 69 . GLY . 5816 1 70 . TYR . 5816 1 71 . ILE . 5816 1 72 . ASN . 5816 1 73 . TYR . 5816 1 74 . LEU . 5816 1 75 . ASP . 5816 1 76 . GLU . 5816 1 77 . LEU . 5816 1 78 . VAL . 5816 1 79 . LYS . 5816 1 80 . GLU . 5816 1 81 . LYS . 5816 1 82 . GLU . 5816 1 83 . VAL . 5816 1 84 . ASP . 5816 1 85 . GLN . 5816 1 86 . VAL . 5816 1 87 . ILE . 5816 1 88 . VAL . 5816 1 89 . VAL . 5816 1 90 . THR . 5816 1 91 . VAL . 5816 1 92 . ASP . 5816 1 93 . ASN . 5816 1 94 . PRO . 5816 1 95 . PHE . 5816 1 96 . ALA . 5816 1 97 . ASN . 5816 1 98 . GLN . 5816 1 99 . ALA . 5816 1 100 . TRP . 5816 1 101 . ALA . 5816 1 102 . LYS . 5816 1 103 . SER . 5816 1 104 . LEU . 5816 1 105 . GLY . 5816 1 106 . VAL . 5816 1 107 . LYS . 5816 1 108 . ASP . 5816 1 109 . THR . 5816 1 110 . THR . 5816 1 111 . HIS . 5816 1 112 . ILE . 5816 1 113 . LYS . 5816 1 114 . PHE . 5816 1 115 . ALA . 5816 1 116 . SER . 5816 1 117 . ASP . 5816 1 118 . PRO . 5816 1 119 . GLY . 5816 1 120 . CYS . 5816 1 121 . ALA . 5816 1 122 . PHE . 5816 1 123 . THR . 5816 1 124 . LYS . 5816 1 125 . SER . 5816 1 126 . ILE . 5816 1 127 . GLY . 5816 1 128 . PHE . 5816 1 129 . GLU . 5816 1 130 . LEU . 5816 1 131 . ALA . 5816 1 132 . VAL . 5816 1 133 . GLY . 5816 1 134 . ASP . 5816 1 135 . GLY . 5816 1 136 . VAL . 5816 1 137 . TYR . 5816 1 138 . TRP . 5816 1 139 . SER . 5816 1 140 . GLY . 5816 1 141 . ARG . 5816 1 142 . TRP . 5816 1 143 . ALA . 5816 1 144 . MET . 5816 1 145 . VAL . 5816 1 146 . VAL . 5816 1 147 . GLU . 5816 1 148 . ASN . 5816 1 149 . GLY . 5816 1 150 . ILE . 5816 1 151 . VAL . 5816 1 152 . THR . 5816 1 153 . TYR . 5816 1 154 . ALA . 5816 1 155 . ALA . 5816 1 156 . LYS . 5816 1 157 . GLU . 5816 1 158 . THR . 5816 1 159 . ASN . 5816 1 160 . PRO . 5816 1 161 . GLY . 5816 1 162 . THR . 5816 1 163 . ASP . 5816 1 164 . VAL . 5816 1 165 . THR . 5816 1 166 . VAL . 5816 1 167 . SER . 5816 1 168 . SER . 5816 1 169 . VAL . 5816 1 170 . GLU . 5816 1 171 . SER . 5816 1 172 . VAL . 5816 1 173 . LEU . 5816 1 174 . ALA . 5816 1 175 . HIS . 5816 1 176 . LEU . 5816 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 5816 1 . SER 2 2 5816 1 . ASP 3 3 5816 1 . LEU 4 4 5816 1 . VAL 5 5 5816 1 . ASN 6 6 5816 1 . LYS 7 7 5816 1 . LYS 8 8 5816 1 . PHE 9 9 5816 1 . PRO 10 10 5816 1 . ALA 11 11 5816 1 . GLY 12 12 5816 1 . ASP 13 13 5816 1 . TYR 14 14 5816 1 . LYS 15 15 5816 1 . PHE 16 16 5816 1 . GLN 17 17 5816 1 . TYR 18 18 5816 1 . ILE 19 19 5816 1 . ALA 20 20 5816 1 . ILE 21 21 5816 1 . SER 22 22 5816 1 . GLN 23 23 5816 1 . SER 24 24 5816 1 . ASP 25 25 5816 1 . ALA 26 26 5816 1 . ASP 27 27 5816 1 . SER 28 28 5816 1 . GLU 29 29 5816 1 . SER 30 30 5816 1 . CYS 31 31 5816 1 . LYS 32 32 5816 1 . MET 33 33 5816 1 . PRO 34 34 5816 1 . GLN 35 35 5816 1 . THR 36 36 5816 1 . VAL 37 37 5816 1 . GLU 38 38 5816 1 . TRP 39 39 5816 1 . SER 40 40 5816 1 . LYS 41 41 5816 1 . LEU 42 42 5816 1 . ILE 43 43 5816 1 . SER 44 44 5816 1 . GLU 45 45 5816 1 . ASN 46 46 5816 1 . LYS 47 47 5816 1 . LYS 48 48 5816 1 . VAL 49 49 5816 1 . ILE 50 50 5816 1 . ILE 51 51 5816 1 . THR 52 52 5816 1 . GLY 53 53 5816 1 . ALA 54 54 5816 1 . PRO 55 55 5816 1 . ALA 56 56 5816 1 . ALA 57 57 5816 1 . PHE 58 58 5816 1 . SER 59 59 5816 1 . PRO 60 60 5816 1 . THR 61 61 5816 1 . CYS 62 62 5816 1 . THR 63 63 5816 1 . VAL 64 64 5816 1 . SER 65 65 5816 1 . HIS 66 66 5816 1 . ILE 67 67 5816 1 . PRO 68 68 5816 1 . GLY 69 69 5816 1 . TYR 70 70 5816 1 . ILE 71 71 5816 1 . ASN 72 72 5816 1 . TYR 73 73 5816 1 . LEU 74 74 5816 1 . ASP 75 75 5816 1 . GLU 76 76 5816 1 . LEU 77 77 5816 1 . VAL 78 78 5816 1 . LYS 79 79 5816 1 . GLU 80 80 5816 1 . LYS 81 81 5816 1 . GLU 82 82 5816 1 . VAL 83 83 5816 1 . ASP 84 84 5816 1 . GLN 85 85 5816 1 . VAL 86 86 5816 1 . ILE 87 87 5816 1 . VAL 88 88 5816 1 . VAL 89 89 5816 1 . THR 90 90 5816 1 . VAL 91 91 5816 1 . ASP 92 92 5816 1 . ASN 93 93 5816 1 . PRO 94 94 5816 1 . PHE 95 95 5816 1 . ALA 96 96 5816 1 . ASN 97 97 5816 1 . GLN 98 98 5816 1 . ALA 99 99 5816 1 . TRP 100 100 5816 1 . ALA 101 101 5816 1 . LYS 102 102 5816 1 . SER 103 103 5816 1 . LEU 104 104 5816 1 . GLY 105 105 5816 1 . VAL 106 106 5816 1 . LYS 107 107 5816 1 . ASP 108 108 5816 1 . THR 109 109 5816 1 . THR 110 110 5816 1 . HIS 111 111 5816 1 . ILE 112 112 5816 1 . LYS 113 113 5816 1 . PHE 114 114 5816 1 . ALA 115 115 5816 1 . SER 116 116 5816 1 . ASP 117 117 5816 1 . PRO 118 118 5816 1 . GLY 119 119 5816 1 . CYS 120 120 5816 1 . ALA 121 121 5816 1 . PHE 122 122 5816 1 . THR 123 123 5816 1 . LYS 124 124 5816 1 . SER 125 125 5816 1 . ILE 126 126 5816 1 . GLY 127 127 5816 1 . PHE 128 128 5816 1 . GLU 129 129 5816 1 . LEU 130 130 5816 1 . ALA 131 131 5816 1 . VAL 132 132 5816 1 . GLY 133 133 5816 1 . ASP 134 134 5816 1 . GLY 135 135 5816 1 . VAL 136 136 5816 1 . TYR 137 137 5816 1 . TRP 138 138 5816 1 . SER 139 139 5816 1 . GLY 140 140 5816 1 . ARG 141 141 5816 1 . TRP 142 142 5816 1 . ALA 143 143 5816 1 . MET 144 144 5816 1 . VAL 145 145 5816 1 . VAL 146 146 5816 1 . GLU 147 147 5816 1 . ASN 148 148 5816 1 . GLY 149 149 5816 1 . ILE 150 150 5816 1 . VAL 151 151 5816 1 . THR 152 152 5816 1 . TYR 153 153 5816 1 . ALA 154 154 5816 1 . ALA 155 155 5816 1 . LYS 156 156 5816 1 . GLU 157 157 5816 1 . THR 158 158 5816 1 . ASN 159 159 5816 1 . PRO 160 160 5816 1 . GLY 161 161 5816 1 . THR 162 162 5816 1 . ASP 163 163 5816 1 . VAL 164 164 5816 1 . THR 165 165 5816 1 . VAL 166 166 5816 1 . SER 167 167 5816 1 . SER 168 168 5816 1 . VAL 169 169 5816 1 . GLU 170 170 5816 1 . SER 171 171 5816 1 . VAL 172 172 5816 1 . LEU 173 173 5816 1 . ALA 174 174 5816 1 . HIS 175 175 5816 1 . LEU 176 176 5816 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 5816 _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 $YLR109w . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . cytoplasm . . . . . . . . 5816 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 5816 _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 $YLR109w . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5816 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5816 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YLR109w '[U-50% 2H; U-13C; U-15N]' . . 1 $YLR109w . . 2.0 . . mM . . . . 5816 1 2 DTT . . . . . . . 5.0 . . mM . . . . 5816 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5816 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YLR109w [U-15N] . . 1 $YLR109w . . 2.0 . . mM . . . . 5816 2 2 DTT . . . . . . . 5.0 . . mM . . . . 5816 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5816 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'The sample was reduced by 5 DTT equvalents.' 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 5.8 0.2 n/a 5816 1 temperature 311 1 K 5816 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5816 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5816 1 stop_ save_ save_PIPP_suite _Software.Sf_category software _Software.Sf_framecode PIPP_suite _Software.Entry_ID 5816 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 5816 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5816 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA_Unity+ _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5816 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA_Unity+ _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5816 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5816 _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 NMR_spectrometer_1 Varian INOVA_Unity+ . 800 . . . 5816 1 2 NMR_spectrometer_2 Varian INOVA_Unity+ . 600 . . . 5816 1 3 NMR_spectrometer_3 Bruker DRX . 500 . . . 5816 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 5816 _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 '1H-15N NOESY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5816 1 2 HNCO . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5816 1 3 MQ-HNCOCA . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5816 1 4 HN(CA)CO . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5816 1 5 HNCA . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5816 1 6 HN(COCA)CB . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5816 1 7 HN(CA)CB . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5816 1 8 (H)C(CCO)NH-TOCSY . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5816 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5816 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5816 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5816 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name MQ-HNCOCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5816 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5816 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5816 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(COCA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5816 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5816 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name (H)C(CCO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5816 _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 0.0 . indirect 0.251449530 . . . . . . . . . 5816 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5816 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5816 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5816 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5816 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.28 0.02 . 1 . . . . . . . . 5816 1 2 . 1 1 1 1 MET C C 13 176.0 0.1 . 1 . . . . . . . . 5816 1 3 . 1 1 1 1 MET CA C 13 55.4 0.2 . 1 . . . . . . . . 5816 1 4 . 1 1 1 1 MET CB C 13 32.4 0.3 . 1 . . . . . . . . 5816 1 5 . 1 1 1 1 MET CG C 13 31.6 0.4 . 1 . . . . . . . . 5816 1 6 . 1 1 1 1 MET N N 15 121.8 0.1 . 1 . . . . . . . . 5816 1 7 . 1 1 2 2 SER H H 1 8.12 0.02 . 1 . . . . . . . . 5816 1 8 . 1 1 2 2 SER C C 13 174.9 0.1 . 1 . . . . . . . . 5816 1 9 . 1 1 2 2 SER CA C 13 58.1 0.2 . 1 . . . . . . . . 5816 1 10 . 1 1 2 2 SER CB C 13 64.0 0.3 . 1 . . . . . . . . 5816 1 11 . 1 1 2 2 SER N N 15 115.91 0.1 . 1 . . . . . . . . 5816 1 12 . 1 1 3 3 ASP H H 1 8.41 0.02 . 1 . . . . . . . . 5816 1 13 . 1 1 3 3 ASP C C 13 176.0 0.1 . 1 . . . . . . . . 5816 1 14 . 1 1 3 3 ASP CA C 13 54.8 0.2 . 1 . . . . . . . . 5816 1 15 . 1 1 3 3 ASP CB C 13 40.3 0.3 . 1 . . . . . . . . 5816 1 16 . 1 1 3 3 ASP N N 15 123.9 0.1 . 1 . . . . . . . . 5816 1 17 . 1 1 4 4 LEU H H 1 7.92 0.02 . 1 . . . . . . . . 5816 1 18 . 1 1 4 4 LEU C C 13 177.4 0.1 . 1 . . . . . . . . 5816 1 19 . 1 1 4 4 LEU CA C 13 55.6 0.2 . 1 . . . . . . . . 5816 1 20 . 1 1 4 4 LEU CB C 13 43.5 0.3 . 1 . . . . . . . . 5816 1 21 . 1 1 4 4 LEU N N 15 118.5 0.1 . 1 . . . . . . . . 5816 1 22 . 1 1 5 5 VAL H H 1 7.11 0.02 . 1 . . . . . . . . 5816 1 23 . 1 1 5 5 VAL C C 13 176.2 0.1 . 1 . . . . . . . . 5816 1 24 . 1 1 5 5 VAL CA C 13 64.3 0.2 . 1 . . . . . . . . 5816 1 25 . 1 1 5 5 VAL CB C 13 30.8 0.3 . 1 . . . . . . . . 5816 1 26 . 1 1 5 5 VAL N N 15 117.4 0.1 . 1 . . . . . . . . 5816 1 27 . 1 1 6 6 ASN H H 1 9.43 0.02 . 1 . . . . . . . . 5816 1 28 . 1 1 6 6 ASN C C 13 174.2 0.1 . 1 . . . . . . . . 5816 1 29 . 1 1 6 6 ASN CA C 13 55.0 0.2 . 1 . . . . . . . . 5816 1 30 . 1 1 6 6 ASN CB C 13 36.7 0.3 . 1 . . . . . . . . 5816 1 31 . 1 1 6 6 ASN CG C 13 178.2 0.1 . 1 . . . . . . . . 5816 1 32 . 1 1 6 6 ASN N N 15 117.8 0.1 . 1 . . . . . . . . 5816 1 33 . 1 1 6 6 ASN ND2 N 15 112.2 0.1 . 1 . . . . . . . . 5816 1 34 . 1 1 6 6 ASN HD21 H 1 7.55 0.02 . 1 . . . . . . . . 5816 1 35 . 1 1 6 6 ASN HD22 H 1 6.86 0.02 . 1 . . . . . . . . 5816 1 36 . 1 1 7 7 LYS H H 1 7.74 0.02 . 1 . . . . . . . . 5816 1 37 . 1 1 7 7 LYS C C 13 175.9 0.1 . 1 . . . . . . . . 5816 1 38 . 1 1 7 7 LYS CA C 13 54.0 0.2 . 1 . . . . . . . . 5816 1 39 . 1 1 7 7 LYS CB C 13 34.5 0.3 . 1 . . . . . . . . 5816 1 40 . 1 1 7 7 LYS N N 15 117.6 0.1 . 1 . . . . . . . . 5816 1 41 . 1 1 8 8 LYS H H 1 8.38 0.02 . 1 . . . . . . . . 5816 1 42 . 1 1 8 8 LYS C C 13 177.4 0.1 . 1 . . . . . . . . 5816 1 43 . 1 1 8 8 LYS CA C 13 56.5 0.2 . 1 . . . . . . . . 5816 1 44 . 1 1 8 8 LYS CB C 13 32.1 0.3 . 1 . . . . . . . . 5816 1 45 . 1 1 8 8 LYS N N 15 119.9 0.1 . 1 . . . . . . . . 5816 1 46 . 1 1 9 9 PHE H H 1 8.65 0.02 . 1 . . . . . . . . 5816 1 47 . 1 1 9 9 PHE C C 13 174.4 0.1 . 1 . . . . . . . . 5816 1 48 . 1 1 9 9 PHE CA C 13 55.6 0.2 . 1 . . . . . . . . 5816 1 49 . 1 1 9 9 PHE CB C 13 39.9 0.3 . 1 . . . . . . . . 5816 1 50 . 1 1 9 9 PHE N N 15 125.0 0.1 . 1 . . . . . . . . 5816 1 51 . 1 1 10 10 PRO C C 13 173.9 0.1 . 1 . . . . . . . . 5816 1 52 . 1 1 10 10 PRO CA C 13 61.2 0.2 . 1 . . . . . . . . 5816 1 53 . 1 1 10 10 PRO CB C 13 27.5 0.3 . 1 . . . . . . . . 5816 1 54 . 1 1 11 11 ALA H H 1 7.63 0.02 . 1 . . . . . . . . 5816 1 55 . 1 1 11 11 ALA C C 13 177.3 0.1 . 1 . . . . . . . . 5816 1 56 . 1 1 11 11 ALA CA C 13 53.8 0.2 . 1 . . . . . . . . 5816 1 57 . 1 1 11 11 ALA CB C 13 19.1 0.3 . 1 . . . . . . . . 5816 1 58 . 1 1 11 11 ALA N N 15 125.3 0.1 . 1 . . . . . . . . 5816 1 59 . 1 1 12 12 GLY H H 1 8.17 0.02 . 1 . . . . . . . . 5816 1 60 . 1 1 12 12 GLY C C 13 174.3 0.1 . 1 . . . . . . . . 5816 1 61 . 1 1 12 12 GLY CA C 13 46.4 0.2 . 1 . . . . . . . . 5816 1 62 . 1 1 12 12 GLY N N 15 101.5 0.1 . 1 . . . . . . . . 5816 1 63 . 1 1 13 13 ASP H H 1 8.14 0.02 . 1 . . . . . . . . 5816 1 64 . 1 1 13 13 ASP C C 13 176.7 0.1 . 1 . . . . . . . . 5816 1 65 . 1 1 13 13 ASP CA C 13 52.6 0.2 . 1 . . . . . . . . 5816 1 66 . 1 1 13 13 ASP CB C 13 40.2 0.3 . 1 . . . . . . . . 5816 1 67 . 1 1 13 13 ASP N N 15 125.3 0.1 . 1 . . . . . . . . 5816 1 68 . 1 1 14 14 TYR H H 1 8.04 0.02 . 1 . . . . . . . . 5816 1 69 . 1 1 14 14 TYR C C 13 176.8 0.1 . 1 . . . . . . . . 5816 1 70 . 1 1 14 14 TYR CA C 13 60.3 0.2 . 1 . . . . . . . . 5816 1 71 . 1 1 14 14 TYR CB C 13 39.6 0.3 . 1 . . . . . . . . 5816 1 72 . 1 1 14 14 TYR N N 15 118.0 0.1 . 1 . . . . . . . . 5816 1 73 . 1 1 15 15 LYS H H 1 9.56 0.02 . 1 . . . . . . . . 5816 1 74 . 1 1 15 15 LYS C C 13 175.5 0.1 . 1 . . . . . . . . 5816 1 75 . 1 1 15 15 LYS CA C 13 54.9 0.2 . 1 . . . . . . . . 5816 1 76 . 1 1 15 15 LYS CB C 13 35.7 0.3 . 1 . . . . . . . . 5816 1 77 . 1 1 15 15 LYS N N 15 122.5 0.1 . 1 . . . . . . . . 5816 1 78 . 1 1 16 16 PHE H H 1 8.91 0.02 . 1 . . . . . . . . 5816 1 79 . 1 1 16 16 PHE C C 13 173.6 0.1 . 1 . . . . . . . . 5816 1 80 . 1 1 16 16 PHE CA C 13 54.6 0.2 . 1 . . . . . . . . 5816 1 81 . 1 1 16 16 PHE CB C 13 41.7 0.3 . 1 . . . . . . . . 5816 1 82 . 1 1 16 16 PHE N N 15 119.2 0.1 . 1 . . . . . . . . 5816 1 83 . 1 1 17 17 GLN H H 1 8.36 0.02 . 1 . . . . . . . . 5816 1 84 . 1 1 17 17 GLN C C 13 176.4 0.1 . 1 . . . . . . . . 5816 1 85 . 1 1 17 17 GLN CA C 13 53.3 0.2 . 1 . . . . . . . . 5816 1 86 . 1 1 17 17 GLN CB C 13 33.4 0.3 . 1 . . . . . . . . 5816 1 87 . 1 1 17 17 GLN N N 15 114.9 0.1 . 1 . . . . . . . . 5816 1 88 . 1 1 18 18 TYR H H 1 9.01 0.02 . 1 . . . . . . . . 5816 1 89 . 1 1 18 18 TYR C C 13 171.1 0.1 . 1 . . . . . . . . 5816 1 90 . 1 1 18 18 TYR CA C 13 56.1 0.2 . 1 . . . . . . . . 5816 1 91 . 1 1 18 18 TYR CB C 13 42.0 0.3 . 1 . . . . . . . . 5816 1 92 . 1 1 18 18 TYR N N 15 119.8 0.1 . 1 . . . . . . . . 5816 1 93 . 1 1 19 19 ILE H H 1 8.33 0.02 . 1 . . . . . . . . 5816 1 94 . 1 1 19 19 ILE C C 13 174.3 0.1 . 1 . . . . . . . . 5816 1 95 . 1 1 19 19 ILE CA C 13 60.0 0.2 . 1 . . . . . . . . 5816 1 96 . 1 1 19 19 ILE CB C 13 37.9 0.3 . 1 . . . . . . . . 5816 1 97 . 1 1 19 19 ILE N N 15 120.6 0.1 . 1 . . . . . . . . 5816 1 98 . 1 1 20 20 ALA H H 1 7.93 0.02 . 1 . . . . . . . . 5816 1 99 . 1 1 20 20 ALA C C 13 176.1 0.1 . 1 . . . . . . . . 5816 1 100 . 1 1 20 20 ALA CA C 13 51.9 0.2 . 1 . . . . . . . . 5816 1 101 . 1 1 20 20 ALA CB C 13 19.3 0.3 . 1 . . . . . . . . 5816 1 102 . 1 1 20 20 ALA N N 15 129.3 0.1 . 1 . . . . . . . . 5816 1 103 . 1 1 21 21 ILE H H 1 8.49 0.02 . 1 . . . . . . . . 5816 1 104 . 1 1 21 21 ILE C C 13 175.0 0.1 . 1 . . . . . . . . 5816 1 105 . 1 1 21 21 ILE CA C 13 61.2 0.2 . 1 . . . . . . . . 5816 1 106 . 1 1 21 21 ILE CB C 13 41.4 0.3 . 1 . . . . . . . . 5816 1 107 . 1 1 21 21 ILE CG2 C 13 16.9 0.4 . 1 . . . . . . . . 5816 1 108 . 1 1 21 21 ILE N N 15 118.9 0.1 . 1 . . . . . . . . 5816 1 109 . 1 1 22 22 SER H H 1 8.19 0.02 . 1 . . . . . . . . 5816 1 110 . 1 1 22 22 SER C C 13 174.7 0.1 . 1 . . . . . . . . 5816 1 111 . 1 1 22 22 SER CA C 13 56.2 0.2 . 1 . . . . . . . . 5816 1 112 . 1 1 22 22 SER CB C 13 65.2 0.3 . 1 . . . . . . . . 5816 1 113 . 1 1 22 22 SER N N 15 121.0 0.1 . 1 . . . . . . . . 5816 1 114 . 1 1 23 23 GLN H H 1 9.01 0.02 . 1 . . . . . . . . 5816 1 115 . 1 1 23 23 GLN C C 13 176.6 0.1 . 1 . . . . . . . . 5816 1 116 . 1 1 23 23 GLN CA C 13 56.4 0.2 . 1 . . . . . . . . 5816 1 117 . 1 1 23 23 GLN CB C 13 28.6 0.3 . 1 . . . . . . . . 5816 1 118 . 1 1 23 23 GLN CG C 13 33.8 0.4 . 1 . . . . . . . . 5816 1 119 . 1 1 23 23 GLN CD C 13 180.5 0.1 . 1 . . . . . . . . 5816 1 120 . 1 1 23 23 GLN N N 15 123.6 0.1 . 1 . . . . . . . . 5816 1 121 . 1 1 23 23 GLN NE2 N 15 112.7 0.1 . 1 . . . . . . . . 5816 1 122 . 1 1 23 23 GLN HE21 H 1 7.75 0.02 . 1 . . . . . . . . 5816 1 123 . 1 1 23 23 GLN HE22 H 1 6.92 0.02 . 1 . . . . . . . . 5816 1 124 . 1 1 24 24 SER H H 1 8.23 0.02 . 1 . . . . . . . . 5816 1 125 . 1 1 24 24 SER C C 13 175.0 0.1 . 1 . . . . . . . . 5816 1 126 . 1 1 24 24 SER CA C 13 57.9 0.2 . 1 . . . . . . . . 5816 1 127 . 1 1 24 24 SER CB C 13 63.8 0.3 . 1 . . . . . . . . 5816 1 128 . 1 1 24 24 SER N N 15 114.0 0.1 . 1 . . . . . . . . 5816 1 129 . 1 1 25 25 ASP H H 1 8.25 0.02 . 1 . . . . . . . . 5816 1 130 . 1 1 25 25 ASP C C 13 176.6 0.1 . 1 . . . . . . . . 5816 1 131 . 1 1 25 25 ASP CA C 13 54.5 0.2 . 1 . . . . . . . . 5816 1 132 . 1 1 25 25 ASP CB C 13 40.3 0.3 . 1 . . . . . . . . 5816 1 133 . 1 1 25 25 ASP N N 15 124.5 0.1 . 1 . . . . . . . . 5816 1 134 . 1 1 26 26 ALA H H 1 8.03 0.02 . 1 . . . . . . . . 5816 1 135 . 1 1 26 26 ALA C C 13 178.0 0.1 . 1 . . . . . . . . 5816 1 136 . 1 1 26 26 ALA CA C 13 53.4 0.2 . 1 . . . . . . . . 5816 1 137 . 1 1 26 26 ALA CB C 13 18.6 0.3 . 1 . . . . . . . . 5816 1 138 . 1 1 26 26 ALA N N 15 122.7 0.1 . 1 . . . . . . . . 5816 1 139 . 1 1 27 27 ASP H H 1 8.02 0.02 . 1 . . . . . . . . 5816 1 140 . 1 1 27 27 ASP C C 13 176.5 0.1 . 1 . . . . . . . . 5816 1 141 . 1 1 27 27 ASP CA C 13 53.9 0.2 . 1 . . . . . . . . 5816 1 142 . 1 1 27 27 ASP CB C 13 40.8 0.3 . 1 . . . . . . . . 5816 1 143 . 1 1 27 27 ASP N N 15 116.6 0.1 . 1 . . . . . . . . 5816 1 144 . 1 1 28 28 SER H H 1 7.73 0.02 . 1 . . . . . . . . 5816 1 145 . 1 1 28 28 SER C C 13 176.1 0.1 . 1 . . . . . . . . 5816 1 146 . 1 1 28 28 SER CA C 13 59.2 0.2 . 1 . . . . . . . . 5816 1 147 . 1 1 28 28 SER CB C 13 63.8 0.3 . 1 . . . . . . . . 5816 1 148 . 1 1 28 28 SER N N 15 115.4 0.1 . 1 . . . . . . . . 5816 1 149 . 1 1 29 29 GLU H H 1 8.68 0.02 . 1 . . . . . . . . 5816 1 150 . 1 1 29 29 GLU C C 13 178.3 0.1 . 1 . . . . . . . . 5816 1 151 . 1 1 29 29 GLU CA C 13 58.3 0.2 . 1 . . . . . . . . 5816 1 152 . 1 1 29 29 GLU CB C 13 28.8 0.3 . 1 . . . . . . . . 5816 1 153 . 1 1 29 29 GLU CG C 13 35.9 0.4 . 1 . . . . . . . . 5816 1 154 . 1 1 29 29 GLU N N 15 122.6 0.1 . 1 . . . . . . . . 5816 1 155 . 1 1 30 30 SER H H 1 8.11 0.02 . 1 . . . . . . . . 5816 1 156 . 1 1 30 30 SER C C 13 174.7 0.1 . 1 . . . . . . . . 5816 1 157 . 1 1 30 30 SER CA C 13 63.3 0.2 . 1 . . . . . . . . 5816 1 158 . 1 1 30 30 SER CB C 13 59.8 0.3 . 1 . . . . . . . . 5816 1 159 . 1 1 30 30 SER N N 15 114.1 0.1 . 1 . . . . . . . . 5816 1 160 . 1 1 31 31 CYS H H 1 7.65 0.02 . 1 . . . . . . . . 5816 1 161 . 1 1 31 31 CYS C C 13 174.3 0.1 . 1 . . . . . . . . 5816 1 162 . 1 1 31 31 CYS CA C 13 58.4 0.2 . 1 . . . . . . . . 5816 1 163 . 1 1 31 31 CYS CB C 13 27.9 0.3 . 1 . . . . . . . . 5816 1 164 . 1 1 31 31 CYS N N 15 117.9 0.1 . 1 . . . . . . . . 5816 1 165 . 1 1 32 32 LYS H H 1 7.79 0.02 . 1 . . . . . . . . 5816 1 166 . 1 1 32 32 LYS C C 13 175.4 0.1 . 1 . . . . . . . . 5816 1 167 . 1 1 32 32 LYS CA C 13 56.5 0.2 . 1 . . . . . . . . 5816 1 168 . 1 1 32 32 LYS CB C 13 34.31 0.3 . 1 . . . . . . . . 5816 1 169 . 1 1 32 32 LYS CG C 13 24.4 0.4 . 1 . . . . . . . . 5816 1 170 . 1 1 32 32 LYS CD C 13 28.9 0.4 . 1 . . . . . . . . 5816 1 171 . 1 1 32 32 LYS N N 15 119.8 0.1 . 1 . . . . . . . . 5816 1 172 . 1 1 33 33 MET H H 1 7.85 0.02 . 1 . . . . . . . . 5816 1 173 . 1 1 33 33 MET C C 13 173.8 0.1 . 1 . . . . . . . . 5816 1 174 . 1 1 33 33 MET CA C 13 51.3 0.2 . 1 . . . . . . . . 5816 1 175 . 1 1 33 33 MET CB C 13 33.0 0.3 . 1 . . . . . . . . 5816 1 176 . 1 1 33 33 MET N N 15 116.9 0.1 . 1 . . . . . . . . 5816 1 177 . 1 1 34 34 PRO C C 13 175.8 0.1 . 1 . . . . . . . . 5816 1 178 . 1 1 34 34 PRO CA C 13 62.4 0.2 . 1 . . . . . . . . 5816 1 179 . 1 1 34 34 PRO CB C 13 31.2 0.3 . 1 . . . . . . . . 5816 1 180 . 1 1 35 35 GLN H H 1 8.89 0.02 . 1 . . . . . . . . 5816 1 181 . 1 1 35 35 GLN C C 13 174.9 0.1 . 1 . . . . . . . . 5816 1 182 . 1 1 35 35 GLN CA C 13 53.5 0.2 . 1 . . . . . . . . 5816 1 183 . 1 1 35 35 GLN CB C 13 31.0 0.3 . 1 . . . . . . . . 5816 1 184 . 1 1 35 35 GLN CG C 13 33.7 0.4 . 1 . . . . . . . . 5816 1 185 . 1 1 35 35 GLN CD C 13 180.4 0.1 . 1 . . . . . . . . 5816 1 186 . 1 1 35 35 GLN N N 15 122.5 0.1 . 1 . . . . . . . . 5816 1 187 . 1 1 35 35 GLN NE2 N 15 112.5 0.1 . 1 . . . . . . . . 5816 1 188 . 1 1 35 35 GLN HE21 H 1 7.38 0.02 . 1 . . . . . . . . 5816 1 189 . 1 1 35 35 GLN HE22 H 1 6.83 0.02 . 1 . . . . . . . . 5816 1 190 . 1 1 36 36 THR H H 1 8.51 0.02 . 1 . . . . . . . . 5816 1 191 . 1 1 36 36 THR C C 13 173.9 0.1 . 1 . . . . . . . . 5816 1 192 . 1 1 36 36 THR CA C 13 61.9 0.2 . 1 . . . . . . . . 5816 1 193 . 1 1 36 36 THR CB C 13 69.2 0.3 . 1 . . . . . . . . 5816 1 194 . 1 1 36 36 THR CG2 C 13 21.9 0.4 . 1 . . . . . . . . 5816 1 195 . 1 1 36 36 THR N N 15 118.7 0.1 . 1 . . . . . . . . 5816 1 196 . 1 1 37 37 VAL H H 1 8.80 0.02 . 1 . . . . . . . . 5816 1 197 . 1 1 37 37 VAL C C 13 174.3 0.1 . 1 . . . . . . . . 5816 1 198 . 1 1 37 37 VAL CA C 13 59.9 0.2 . 1 . . . . . . . . 5816 1 199 . 1 1 37 37 VAL CB C 13 33.4 0.3 . 1 . . . . . . . . 5816 1 200 . 1 1 37 37 VAL N N 15 128.8 0.1 . 1 . . . . . . . . 5816 1 201 . 1 1 38 38 GLU H H 1 8.73 0.02 . 1 . . . . . . . . 5816 1 202 . 1 1 38 38 GLU C C 13 177.6 0.1 . 1 . . . . . . . . 5816 1 203 . 1 1 38 38 GLU CA C 13 56.2 0.2 . 1 . . . . . . . . 5816 1 204 . 1 1 38 38 GLU CB C 13 29.1 0.3 . 1 . . . . . . . . 5816 1 205 . 1 1 38 38 GLU CG C 13 36.5 0.4 . 1 . . . . . . . . 5816 1 206 . 1 1 38 38 GLU N N 15 124.7 0.1 . 1 . . . . . . . . 5816 1 207 . 1 1 39 39 TRP H H 1 8.47 0.02 . 1 . . . . . . . . 5816 1 208 . 1 1 39 39 TRP C C 13 178.2 0.1 . 1 . . . . . . . . 5816 1 209 . 1 1 39 39 TRP CA C 13 61.9 0.2 . 1 . . . . . . . . 5816 1 210 . 1 1 39 39 TRP CB C 13 29.3 0.3 . 1 . . . . . . . . 5816 1 211 . 1 1 39 39 TRP N N 15 126.6 0.1 . 1 . . . . . . . . 5816 1 212 . 1 1 40 40 SER H H 1 9.50 0.02 . 1 . . . . . . . . 5816 1 213 . 1 1 40 40 SER C C 13 178.2 0.1 . 1 . . . . . . . . 5816 1 214 . 1 1 40 40 SER CA C 13 60.6 0.2 . 1 . . . . . . . . 5816 1 215 . 1 1 40 40 SER CB C 13 62.0 0.3 . 1 . . . . . . . . 5816 1 216 . 1 1 40 40 SER N N 15 117.7 0.1 . 1 . . . . . . . . 5816 1 217 . 1 1 41 41 LYS H H 1 6.84 0.02 . 1 . . . . . . . . 5816 1 218 . 1 1 41 41 LYS C C 13 177.7 0.1 . 1 . . . . . . . . 5816 1 219 . 1 1 41 41 LYS CA C 13 58.1 0.2 . 1 . . . . . . . . 5816 1 220 . 1 1 41 41 LYS CB C 13 31.9 0.3 . 1 . . . . . . . . 5816 1 221 . 1 1 41 41 LYS CG C 13 24.3 0.4 . 1 . . . . . . . . 5816 1 222 . 1 1 41 41 LYS N N 15 123.7 0.1 . 1 . . . . . . . . 5816 1 223 . 1 1 42 42 LEU H H 1 7.49 0.02 . 1 . . . . . . . . 5816 1 224 . 1 1 42 42 LEU C C 13 179.8 0.1 . 1 . . . . . . . . 5816 1 225 . 1 1 42 42 LEU CA C 13 57.8 0.2 . 1 . . . . . . . . 5816 1 226 . 1 1 42 42 LEU CB C 13 40.9 0.3 . 1 . . . . . . . . 5816 1 227 . 1 1 42 42 LEU N N 15 119.6 0.1 . 1 . . . . . . . . 5816 1 228 . 1 1 43 43 ILE H H 1 7.94 0.02 . 1 . . . . . . . . 5816 1 229 . 1 1 43 43 ILE C C 13 176.6 0.1 . 1 . . . . . . . . 5816 1 230 . 1 1 43 43 ILE CA C 13 60.8 0.2 . 1 . . . . . . . . 5816 1 231 . 1 1 43 43 ILE CB C 13 35.6 0.3 . 1 . . . . . . . . 5816 1 232 . 1 1 43 43 ILE N N 15 115.2 0.1 . 1 . . . . . . . . 5816 1 233 . 1 1 44 44 SER H H 1 7.69 0.02 . 1 . . . . . . . . 5816 1 234 . 1 1 44 44 SER C C 13 176.4 0.1 . 1 . . . . . . . . 5816 1 235 . 1 1 44 44 SER CA C 13 60.6 0.2 . 1 . . . . . . . . 5816 1 236 . 1 1 44 44 SER CB C 13 63.5 0.3 . 1 . . . . . . . . 5816 1 237 . 1 1 44 44 SER N N 15 113.6 0.1 . 1 . . . . . . . . 5816 1 238 . 1 1 45 45 GLU H H 1 7.64 0.02 . 1 . . . . . . . . 5816 1 239 . 1 1 45 45 GLU C C 13 175.5 0.1 . 1 . . . . . . . . 5816 1 240 . 1 1 45 45 GLU CA C 13 56.4 0.2 . 1 . . . . . . . . 5816 1 241 . 1 1 45 45 GLU CB C 13 30.1 0.3 . 1 . . . . . . . . 5816 1 242 . 1 1 45 45 GLU CG C 13 36.3 0.4 . 1 . . . . . . . . 5816 1 243 . 1 1 45 45 GLU N N 15 117.35 0.1 . 1 . . . . . . . . 5816 1 244 . 1 1 46 46 ASN H H 1 7.12 0.02 . 1 . . . . . . . . 5816 1 245 . 1 1 46 46 ASN C C 13 172.2 0.1 . 1 . . . . . . . . 5816 1 246 . 1 1 46 46 ASN CA C 13 52.2 0.2 . 1 . . . . . . . . 5816 1 247 . 1 1 46 46 ASN CB C 13 42.0 0.3 . 1 . . . . . . . . 5816 1 248 . 1 1 46 46 ASN N N 15 116.9 0.1 . 1 . . . . . . . . 5816 1 249 . 1 1 47 47 LYS H H 1 8.24 0.02 . 1 . . . . . . . . 5816 1 250 . 1 1 47 47 LYS C C 13 177.5 0.1 . 1 . . . . . . . . 5816 1 251 . 1 1 47 47 LYS CA C 13 59.3 0.2 . 1 . . . . . . . . 5816 1 252 . 1 1 47 47 LYS CB C 13 32.2 0.3 . 1 . . . . . . . . 5816 1 253 . 1 1 47 47 LYS N N 15 122.0 0.1 . 1 . . . . . . . . 5816 1 254 . 1 1 48 48 LYS H H 1 9.24 0.02 . 1 . . . . . . . . 5816 1 255 . 1 1 48 48 LYS C C 13 174.8 0.1 . 1 . . . . . . . . 5816 1 256 . 1 1 48 48 LYS CA C 13 56.3 0.2 . 1 . . . . . . . . 5816 1 257 . 1 1 48 48 LYS CB C 13 34.1 0.3 . 1 . . . . . . . . 5816 1 258 . 1 1 48 48 LYS N N 15 122.0 0.1 . 1 . . . . . . . . 5816 1 259 . 1 1 49 49 VAL H H 1 9.24 0.02 . 1 . . . . . . . . 5816 1 260 . 1 1 49 49 VAL CA C 13 60.0 0.2 . 1 . . . . . . . . 5816 1 261 . 1 1 49 49 VAL CB C 13 35.9 0.3 . 1 . . . . . . . . 5816 1 262 . 1 1 49 49 VAL N N 15 126.5 0.1 . 1 . . . . . . . . 5816 1 263 . 1 1 50 50 ILE C C 13 173.8 0.1 . 1 . . . . . . . . 5816 1 264 . 1 1 50 50 ILE CA C 13 58.9 0.2 . 1 . . . . . . . . 5816 1 265 . 1 1 50 50 ILE CB C 13 39.9 0.3 . 1 . . . . . . . . 5816 1 266 . 1 1 51 51 ILE H H 1 9.15 0.02 . 1 . . . . . . . . 5816 1 267 . 1 1 51 51 ILE C C 13 174.1 0.1 . 1 . . . . . . . . 5816 1 268 . 1 1 51 51 ILE CA C 13 58.9 0.2 . 1 . . . . . . . . 5816 1 269 . 1 1 51 51 ILE CB C 13 41.4 0.3 . 1 . . . . . . . . 5816 1 270 . 1 1 51 51 ILE N N 15 126.9 0.1 . 1 . . . . . . . . 5816 1 271 . 1 1 52 52 THR H H 1 9.07 0.02 . 1 . . . . . . . . 5816 1 272 . 1 1 52 52 THR C C 13 170.0 0.1 . 1 . . . . . . . . 5816 1 273 . 1 1 52 52 THR CA C 13 57.6 0.2 . 1 . . . . . . . . 5816 1 274 . 1 1 52 52 THR N N 15 121.8 0.1 . 1 . . . . . . . . 5816 1 275 . 1 1 53 53 GLY H H 1 6.62 0.02 . 1 . . . . . . . . 5816 1 276 . 1 1 53 53 GLY C C 13 180.8 0.1 . 1 . . . . . . . . 5816 1 277 . 1 1 53 53 GLY CA C 13 42.9 0.2 . 1 . . . . . . . . 5816 1 278 . 1 1 53 53 GLY N N 15 115.4 0.1 . 1 . . . . . . . . 5816 1 279 . 1 1 54 54 ALA H H 1 8.53 0.02 . 1 . . . . . . . . 5816 1 280 . 1 1 54 54 ALA C C 13 176.3 0.1 . 1 . . . . . . . . 5816 1 281 . 1 1 54 54 ALA CA C 13 57.2 0.2 . 1 . . . . . . . . 5816 1 282 . 1 1 54 54 ALA CB C 13 21.1 0.3 . 1 . . . . . . . . 5816 1 283 . 1 1 54 54 ALA N N 15 122.8 0.1 . 1 . . . . . . . . 5816 1 284 . 1 1 55 55 PRO C C 13 177.7 0.1 . 1 . . . . . . . . 5816 1 285 . 1 1 55 55 PRO CA C 13 64.6 0.2 . 1 . . . . . . . . 5816 1 286 . 1 1 55 55 PRO CB C 13 33.0 0.3 . 1 . . . . . . . . 5816 1 287 . 1 1 56 56 ALA H H 1 8.18 0.02 . 1 . . . . . . . . 5816 1 288 . 1 1 56 56 ALA C C 13 174.0 0.1 . 1 . . . . . . . . 5816 1 289 . 1 1 56 56 ALA CA C 13 52.1 0.2 . 1 . . . . . . . . 5816 1 290 . 1 1 56 56 ALA CB C 13 19.3 0.3 . 1 . . . . . . . . 5816 1 291 . 1 1 56 56 ALA N N 15 119.6 0.1 . 1 . . . . . . . . 5816 1 292 . 1 1 57 57 ALA H H 1 9.02 0.02 . 1 . . . . . . . . 5816 1 293 . 1 1 57 57 ALA C C 13 176.5 0.1 . 1 . . . . . . . . 5816 1 294 . 1 1 57 57 ALA CA C 13 52.4 0.2 . 1 . . . . . . . . 5816 1 295 . 1 1 57 57 ALA CB C 13 17.0 0.3 . 1 . . . . . . . . 5816 1 296 . 1 1 57 57 ALA N N 15 129.1 0.1 . 1 . . . . . . . . 5816 1 297 . 1 1 58 58 PHE H H 1 7.88 0.02 . 1 . . . . . . . . 5816 1 298 . 1 1 58 58 PHE C C 13 179.4 0.1 . 1 . . . . . . . . 5816 1 299 . 1 1 58 58 PHE CA C 13 54.9 0.2 . 1 . . . . . . . . 5816 1 300 . 1 1 58 58 PHE CB C 13 40.8 0.3 . 1 . . . . . . . . 5816 1 301 . 1 1 58 58 PHE N N 15 123.2 0.1 . 1 . . . . . . . . 5816 1 302 . 1 1 60 60 PRO C C 13 177.7 0.1 . 1 . . . . . . . . 5816 1 303 . 1 1 61 61 THR H H 1 8.18 0.02 . 1 . . . . . . . . 5816 1 304 . 1 1 61 61 THR CA C 13 66.4 0.2 . 1 . . . . . . . . 5816 1 305 . 1 1 61 61 THR CB C 13 69.9 0.3 . 1 . . . . . . . . 5816 1 306 . 1 1 61 61 THR N N 15 111.8 0.1 . 1 . . . . . . . . 5816 1 307 . 1 1 62 62 CYS C C 13 178.2 0.1 . 1 . . . . . . . . 5816 1 308 . 1 1 62 62 CYS CA C 13 66.6 0.2 . 1 . . . . . . . . 5816 1 309 . 1 1 62 62 CYS CB C 13 31.4 0.3 . 1 . . . . . . . . 5816 1 310 . 1 1 63 63 THR H H 1 8.49 0.02 . 1 . . . . . . . . 5816 1 311 . 1 1 63 63 THR C C 13 173.5 0.1 . 1 . . . . . . . . 5816 1 312 . 1 1 63 63 THR CA C 13 66.6 0.2 . 1 . . . . . . . . 5816 1 313 . 1 1 63 63 THR CB C 13 67.8 0.3 . 1 . . . . . . . . 5816 1 314 . 1 1 63 63 THR N N 15 116.2 0.1 . 1 . . . . . . . . 5816 1 315 . 1 1 64 64 VAL H H 1 8.55 0.02 . 1 . . . . . . . . 5816 1 316 . 1 1 64 64 VAL C C 13 177.9 0.1 . 1 . . . . . . . . 5816 1 317 . 1 1 64 64 VAL CA C 13 63.9 0.2 . 1 . . . . . . . . 5816 1 318 . 1 1 64 64 VAL CB C 13 32.1 0.3 . 1 . . . . . . . . 5816 1 319 . 1 1 64 64 VAL N N 15 116.3 0.1 . 1 . . . . . . . . 5816 1 320 . 1 1 68 68 PRO C C 13 177.8 0.1 . 1 . . . . . . . . 5816 1 321 . 1 1 68 68 PRO CA C 13 66.6 0.2 . 1 . . . . . . . . 5816 1 322 . 1 1 68 68 PRO CB C 13 29.9 0.3 . 1 . . . . . . . . 5816 1 323 . 1 1 69 69 GLY H H 1 7.62 0.02 . 1 . . . . . . . . 5816 1 324 . 1 1 69 69 GLY C C 13 175.8 0.1 . 1 . . . . . . . . 5816 1 325 . 1 1 69 69 GLY CA C 13 47.8 0.2 . 1 . . . . . . . . 5816 1 326 . 1 1 69 69 GLY N N 15 102.5 0.1 . 1 . . . . . . . . 5816 1 327 . 1 1 70 70 TYR H H 1 7.45 0.02 . 1 . . . . . . . . 5816 1 328 . 1 1 70 70 TYR C C 13 175.9 0.1 . 1 . . . . . . . . 5816 1 329 . 1 1 70 70 TYR CA C 13 63.0 0.2 . 1 . . . . . . . . 5816 1 330 . 1 1 70 70 TYR CB C 13 37.7 0.3 . 1 . . . . . . . . 5816 1 331 . 1 1 70 70 TYR N N 15 118.8 0.1 . 1 . . . . . . . . 5816 1 332 . 1 1 71 71 ILE H H 1 6.95 0.02 . 1 . . . . . . . . 5816 1 333 . 1 1 71 71 ILE C C 13 179.4 0.1 . 1 . . . . . . . . 5816 1 334 . 1 1 71 71 ILE CA C 13 64.0 0.2 . 1 . . . . . . . . 5816 1 335 . 1 1 71 71 ILE CB C 13 37.3 0.3 . 1 . . . . . . . . 5816 1 336 . 1 1 71 71 ILE N N 15 115.2 0.1 . 1 . . . . . . . . 5816 1 337 . 1 1 72 72 ASN H H 1 8.91 0.02 . 1 . . . . . . . . 5816 1 338 . 1 1 72 72 ASN C C 13 177.4 0.1 . 1 . . . . . . . . 5816 1 339 . 1 1 72 72 ASN CA C 13 55.4 0.2 . 1 . . . . . . . . 5816 1 340 . 1 1 72 72 ASN CB C 13 37.7 0.3 . 1 . . . . . . . . 5816 1 341 . 1 1 72 72 ASN CG C 13 175.8 0.1 . 1 . . . . . . . . 5816 1 342 . 1 1 72 72 ASN N N 15 118.6 0.1 . 1 . . . . . . . . 5816 1 343 . 1 1 72 72 ASN ND2 N 15 110.8 0.1 . 1 . . . . . . . . 5816 1 344 . 1 1 72 72 ASN HD21 H 1 7.11 0.02 . 1 . . . . . . . . 5816 1 345 . 1 1 72 72 ASN HD22 H 1 6.76 0.20 . 1 . . . . . . . . 5816 1 346 . 1 1 73 73 TYR H H 1 7.61 0.02 . 1 . . . . . . . . 5816 1 347 . 1 1 73 73 TYR C C 13 175.6 0.1 . 1 . . . . . . . . 5816 1 348 . 1 1 73 73 TYR CA C 13 58.5 0.2 . 1 . . . . . . . . 5816 1 349 . 1 1 73 73 TYR CB C 13 37.7 0.3 . 1 . . . . . . . . 5816 1 350 . 1 1 73 73 TYR N N 15 115.2 0.1 . 1 . . . . . . . . 5816 1 351 . 1 1 74 74 LEU H H 1 7.23 0.02 . 1 . . . . . . . . 5816 1 352 . 1 1 74 74 LEU C C 13 177.4 0.1 . 1 . . . . . . . . 5816 1 353 . 1 1 74 74 LEU CA C 13 59.2 0.2 . 1 . . . . . . . . 5816 1 354 . 1 1 74 74 LEU CB C 13 41.4 0.3 . 1 . . . . . . . . 5816 1 355 . 1 1 74 74 LEU N N 15 123.2 0.1 . 1 . . . . . . . . 5816 1 356 . 1 1 75 75 ASP H H 1 8.44 0.02 . 1 . . . . . . . . 5816 1 357 . 1 1 75 75 ASP C C 13 178.2 0.1 . 1 . . . . . . . . 5816 1 358 . 1 1 75 75 ASP CA C 13 57.6 0.2 . 1 . . . . . . . . 5816 1 359 . 1 1 75 75 ASP CB C 13 39.7 0.3 . 1 . . . . . . . . 5816 1 360 . 1 1 75 75 ASP N N 15 115.8 0.1 . 1 . . . . . . . . 5816 1 361 . 1 1 76 76 GLU H H 1 7.85 0.02 . 1 . . . . . . . . 5816 1 362 . 1 1 76 76 GLU C C 13 179.2 0.1 . 1 . . . . . . . . 5816 1 363 . 1 1 76 76 GLU CA C 13 59.3 0.2 . 1 . . . . . . . . 5816 1 364 . 1 1 76 76 GLU CB C 13 28.4 0.3 . 1 . . . . . . . . 5816 1 365 . 1 1 76 76 GLU CG C 13 35.0 0.4 . 1 . . . . . . . . 5816 1 366 . 1 1 76 76 GLU N N 15 120.6 0.1 . 1 . . . . . . . . 5816 1 367 . 1 1 77 77 LEU H H 1 8.72 0.02 . 1 . . . . . . . . 5816 1 368 . 1 1 77 77 LEU C C 13 178.1 0.1 . 1 . . . . . . . . 5816 1 369 . 1 1 77 77 LEU CA C 13 57.8 0.2 . 1 . . . . . . . . 5816 1 370 . 1 1 77 77 LEU CB C 13 40.1 0.3 . 1 . . . . . . . . 5816 1 371 . 1 1 77 77 LEU N N 15 119.1 0.1 . 1 . . . . . . . . 5816 1 372 . 1 1 78 78 VAL H H 1 8.34 0.02 . 1 . . . . . . . . 5816 1 373 . 1 1 78 78 VAL C C 13 178.6 0.1 . 1 . . . . . . . . 5816 1 374 . 1 1 78 78 VAL CA C 13 64.1 0.2 . 1 . . . . . . . . 5816 1 375 . 1 1 78 78 VAL CB C 13 32.0 0.3 . 1 . . . . . . . . 5816 1 376 . 1 1 78 78 VAL CG1 C 13 20.73 0.4 . 1 . . . . . . . . 5816 1 377 . 1 1 78 78 VAL CG2 C 13 20.73 0.4 . 1 . . . . . . . . 5816 1 378 . 1 1 78 78 VAL N N 15 117.6 0.1 . 1 . . . . . . . . 5816 1 379 . 1 1 79 79 LYS H H 1 8.44 0.02 . 1 . . . . . . . . 5816 1 380 . 1 1 79 79 LYS C C 13 178.4 0.1 . 1 . . . . . . . . 5816 1 381 . 1 1 79 79 LYS CA C 13 58.5 0.2 . 1 . . . . . . . . 5816 1 382 . 1 1 79 79 LYS CB C 13 32.2 0.3 . 1 . . . . . . . . 5816 1 383 . 1 1 79 79 LYS N N 15 116.4 0.1 . 1 . . . . . . . . 5816 1 384 . 1 1 80 80 GLU H H 1 8.12 0.02 . 1 . . . . . . . . 5816 1 385 . 1 1 80 80 GLU C C 13 178.3 0.1 . 1 . . . . . . . . 5816 1 386 . 1 1 80 80 GLU CA C 13 57.0 0.2 . 1 . . . . . . . . 5816 1 387 . 1 1 80 80 GLU CB C 13 29.7 0.3 . 1 . . . . . . . . 5816 1 388 . 1 1 80 80 GLU CG C 13 35.7 0.4 . 1 . . . . . . . . 5816 1 389 . 1 1 80 80 GLU N N 15 114.9 0.1 . 1 . . . . . . . . 5816 1 390 . 1 1 81 81 LYS H H 1 7.22 0.02 . 1 . . . . . . . . 5816 1 391 . 1 1 81 81 LYS C C 13 175.2 0.1 . 1 . . . . . . . . 5816 1 392 . 1 1 81 81 LYS CA C 13 53.1 0.2 . 1 . . . . . . . . 5816 1 393 . 1 1 81 81 LYS CB C 13 31.1 0.3 . 1 . . . . . . . . 5816 1 394 . 1 1 81 81 LYS N N 15 113.4 0.1 . 1 . . . . . . . . 5816 1 395 . 1 1 82 82 GLU H H 1 7.03 0.02 . 1 . . . . . . . . 5816 1 396 . 1 1 82 82 GLU C C 13 174.6 0.1 . 1 . . . . . . . . 5816 1 397 . 1 1 82 82 GLU CA C 13 56.8 0.2 . 1 . . . . . . . . 5816 1 398 . 1 1 82 82 GLU CB C 13 26.4 0.3 . 1 . . . . . . . . 5816 1 399 . 1 1 82 82 GLU N N 15 112.0 0.1 . 1 . . . . . . . . 5816 1 400 . 1 1 83 83 VAL H H 1 8.15 0.02 . 1 . . . . . . . . 5816 1 401 . 1 1 83 83 VAL C C 13 175.4 0.1 . 1 . . . . . . . . 5816 1 402 . 1 1 83 83 VAL CA C 13 63.4 0.2 . 1 . . . . . . . . 5816 1 403 . 1 1 83 83 VAL CB C 13 31.1 0.3 . 1 . . . . . . . . 5816 1 404 . 1 1 83 83 VAL N N 15 118.6 0.1 . 1 . . . . . . . . 5816 1 405 . 1 1 84 84 ASP H H 1 8.96 0.02 . 1 . . . . . . . . 5816 1 406 . 1 1 84 84 ASP C C 13 177.6 0.1 . 1 . . . . . . . . 5816 1 407 . 1 1 84 84 ASP CA C 13 57.1 0.2 . 1 . . . . . . . . 5816 1 408 . 1 1 84 84 ASP CB C 13 44.2 0.3 . 1 . . . . . . . . 5816 1 409 . 1 1 84 84 ASP N N 15 124.5 0.1 . 1 . . . . . . . . 5816 1 410 . 1 1 85 85 GLN H H 1 7.17 0.02 . 1 . . . . . . . . 5816 1 411 . 1 1 85 85 GLN C C 13 173.1 0.1 . 1 . . . . . . . . 5816 1 412 . 1 1 85 85 GLN CA C 13 53.7 0.2 . 1 . . . . . . . . 5816 1 413 . 1 1 85 85 GLN CB C 13 33.2 0.3 . 1 . . . . . . . . 5816 1 414 . 1 1 85 85 GLN N N 15 113.6 0.1 . 1 . . . . . . . . 5816 1 415 . 1 1 86 86 VAL H H 1 8.49 0.02 . 1 . . . . . . . . 5816 1 416 . 1 1 86 86 VAL C C 13 174.3 0.1 . 1 . . . . . . . . 5816 1 417 . 1 1 86 86 VAL CA C 13 60.6 0.2 . 1 . . . . . . . . 5816 1 418 . 1 1 86 86 VAL CB C 13 32.4 0.3 . 1 . . . . . . . . 5816 1 419 . 1 1 86 86 VAL N N 15 122.9 0.1 . 1 . . . . . . . . 5816 1 420 . 1 1 87 87 ILE H H 1 8.37 0.02 . 1 . . . . . . . . 5816 1 421 . 1 1 87 87 ILE C C 13 174.9 0.1 . 1 . . . . . . . . 5816 1 422 . 1 1 87 87 ILE CA C 13 56.8 0.2 . 1 . . . . . . . . 5816 1 423 . 1 1 87 87 ILE CB C 13 31.4 0.3 . 1 . . . . . . . . 5816 1 424 . 1 1 87 87 ILE N N 15 128.4 0.1 . 1 . . . . . . . . 5816 1 425 . 1 1 88 88 VAL H H 1 9.36 0.02 . 1 . . . . . . . . 5816 1 426 . 1 1 88 88 VAL C C 13 174.3 0.1 . 1 . . . . . . . . 5816 1 427 . 1 1 88 88 VAL CA C 13 60.6 0.2 . 1 . . . . . . . . 5816 1 428 . 1 1 88 88 VAL N N 15 128.9 0.1 . 1 . . . . . . . . 5816 1 429 . 1 1 90 90 THR C C 13 174.5 0.1 . 1 . . . . . . . . 5816 1 430 . 1 1 90 90 THR CA C 13 58.6 0.2 . 1 . . . . . . . . 5816 1 431 . 1 1 91 91 VAL H H 1 8.51 0.02 . 1 . . . . . . . . 5816 1 432 . 1 1 91 91 VAL C C 13 176.8 0.1 . 1 . . . . . . . . 5816 1 433 . 1 1 91 91 VAL CA C 13 60.4 0.2 . 1 . . . . . . . . 5816 1 434 . 1 1 91 91 VAL CB C 13 30.7 0.3 . 1 . . . . . . . . 5816 1 435 . 1 1 91 91 VAL N N 15 108.8 0.1 . 1 . . . . . . . . 5816 1 436 . 1 1 92 92 ASP H H 1 8.23 0.02 . 1 . . . . . . . . 5816 1 437 . 1 1 92 92 ASP C C 13 175.5 0.1 . 1 . . . . . . . . 5816 1 438 . 1 1 92 92 ASP CA C 13 54.4 0.2 . 1 . . . . . . . . 5816 1 439 . 1 1 92 92 ASP CB C 13 41.8 0.3 . 1 . . . . . . . . 5816 1 440 . 1 1 92 92 ASP N N 15 120.5 0.1 . 1 . . . . . . . . 5816 1 441 . 1 1 93 93 ASN H H 1 9.17 0.02 . 1 . . . . . . . . 5816 1 442 . 1 1 93 93 ASN C C 13 173.1 0.1 . 1 . . . . . . . . 5816 1 443 . 1 1 93 93 ASN CA C 13 52.8 0.2 . 1 . . . . . . . . 5816 1 444 . 1 1 93 93 ASN CB C 13 36.6 0.3 . 1 . . . . . . . . 5816 1 445 . 1 1 93 93 ASN N N 15 121.1 0.1 . 1 . . . . . . . . 5816 1 446 . 1 1 94 94 PRO C C 13 179.0 0.1 . 1 . . . . . . . . 5816 1 447 . 1 1 94 94 PRO CA C 13 65.5 0.2 . 1 . . . . . . . . 5816 1 448 . 1 1 95 95 PHE H H 1 8.75 0.02 . 1 . . . . . . . . 5816 1 449 . 1 1 95 95 PHE C C 13 179.1 0.1 . 1 . . . . . . . . 5816 1 450 . 1 1 95 95 PHE CA C 13 60.0 0.2 . 1 . . . . . . . . 5816 1 451 . 1 1 95 95 PHE CB C 13 36.0 0.3 . 1 . . . . . . . . 5816 1 452 . 1 1 95 95 PHE N N 15 120.8 0.1 . 1 . . . . . . . . 5816 1 453 . 1 1 96 96 ALA H H 1 8.22 0.02 . 1 . . . . . . . . 5816 1 454 . 1 1 96 96 ALA C C 13 179.2 0.1 . 1 . . . . . . . . 5816 1 455 . 1 1 96 96 ALA CA C 13 54.0 0.2 . 1 . . . . . . . . 5816 1 456 . 1 1 96 96 ALA CB C 13 16.8 0.3 . 1 . . . . . . . . 5816 1 457 . 1 1 96 96 ALA N N 15 126.0 0.1 . 1 . . . . . . . . 5816 1 458 . 1 1 97 97 ASN H H 1 7.97 0.02 . 1 . . . . . . . . 5816 1 459 . 1 1 97 97 ASN C C 13 177.5 0.1 . 1 . . . . . . . . 5816 1 460 . 1 1 97 97 ASN CA C 13 55.0 0.2 . 1 . . . . . . . . 5816 1 461 . 1 1 97 97 ASN CB C 13 37.6 0.3 . 1 . . . . . . . . 5816 1 462 . 1 1 97 97 ASN N N 15 116.0 0.1 . 1 . . . . . . . . 5816 1 463 . 1 1 98 98 GLN H H 1 7.80 0.02 . 1 . . . . . . . . 5816 1 464 . 1 1 98 98 GLN C C 13 177.4 0.1 . 1 . . . . . . . . 5816 1 465 . 1 1 98 98 GLN CA C 13 58.7 0.2 . 1 . . . . . . . . 5816 1 466 . 1 1 98 98 GLN CB C 13 27.3 0.3 . 1 . . . . . . . . 5816 1 467 . 1 1 98 98 GLN N N 15 120.5 0.1 . 1 . . . . . . . . 5816 1 468 . 1 1 99 99 ALA H H 1 7.95 0.02 . 1 . . . . . . . . 5816 1 469 . 1 1 99 99 ALA C C 13 180.7 0.1 . 1 . . . . . . . . 5816 1 470 . 1 1 99 99 ALA CA C 13 55.0 0.2 . 1 . . . . . . . . 5816 1 471 . 1 1 99 99 ALA N N 15 122.0 0.1 . 1 . . . . . . . . 5816 1 472 . 1 1 100 100 TRP C C 13 178.3 0.1 . 1 . . . . . . . . 5816 1 473 . 1 1 100 100 TRP CA C 13 55.51 0.2 . 1 . . . . . . . . 5816 1 474 . 1 1 100 100 TRP CB C 13 26.7 0.3 . 1 . . . . . . . . 5816 1 475 . 1 1 101 101 ALA H H 1 7.96 0.02 . 1 . . . . . . . . 5816 1 476 . 1 1 101 101 ALA C C 13 180.0 0.1 . 1 . . . . . . . . 5816 1 477 . 1 1 101 101 ALA CA C 13 55.2 0.2 . 1 . . . . . . . . 5816 1 478 . 1 1 101 101 ALA N N 15 122.1 0.1 . 1 . . . . . . . . 5816 1 479 . 1 1 102 102 LYS H H 1 8.15 0.02 . 1 . . . . . . . . 5816 1 480 . 1 1 102 102 LYS C C 13 181.2 0.1 . 1 . . . . . . . . 5816 1 481 . 1 1 102 102 LYS CA C 13 59.8 0.2 . 1 . . . . . . . . 5816 1 482 . 1 1 102 102 LYS CB C 13 31.4 0.3 . 1 . . . . . . . . 5816 1 483 . 1 1 102 102 LYS N N 15 116.7 0.1 . 1 . . . . . . . . 5816 1 484 . 1 1 103 103 SER H H 1 8.13 0.02 . 1 . . . . . . . . 5816 1 485 . 1 1 103 103 SER C C 13 175.2 0.1 . 1 . . . . . . . . 5816 1 486 . 1 1 103 103 SER CA C 13 61.3 0.2 . 1 . . . . . . . . 5816 1 487 . 1 1 103 103 SER CB C 13 62.6 0.3 . 1 . . . . . . . . 5816 1 488 . 1 1 103 103 SER N N 15 118.6 0.1 . 1 . . . . . . . . 5816 1 489 . 1 1 104 104 LEU H H 1 7.27 0.02 . 1 . . . . . . . . 5816 1 490 . 1 1 104 104 LEU C C 13 176.5 0.1 . 1 . . . . . . . . 5816 1 491 . 1 1 104 104 LEU CA C 13 54.5 0.2 . 1 . . . . . . . . 5816 1 492 . 1 1 104 104 LEU CB C 13 42.0 0.3 . 1 . . . . . . . . 5816 1 493 . 1 1 104 104 LEU N N 15 122.0 0.1 . 1 . . . . . . . . 5816 1 494 . 1 1 105 105 GLY H H 1 7.55 0.02 . 1 . . . . . . . . 5816 1 495 . 1 1 105 105 GLY C C 13 174.8 0.1 . 1 . . . . . . . . 5816 1 496 . 1 1 105 105 GLY CA C 13 44.7 0.2 . 1 . . . . . . . . 5816 1 497 . 1 1 105 105 GLY N N 15 104.7 0.1 . 1 . . . . . . . . 5816 1 498 . 1 1 106 106 VAL H H 1 7.70 0.02 . 1 . . . . . . . . 5816 1 499 . 1 1 106 106 VAL C C 13 175.7 0.1 . 1 . . . . . . . . 5816 1 500 . 1 1 106 106 VAL CA C 13 64.0 0.2 . 1 . . . . . . . . 5816 1 501 . 1 1 106 106 VAL CB C 13 30.3 0.3 . 1 . . . . . . . . 5816 1 502 . 1 1 106 106 VAL CG1 C 13 21.9 0.4 . 1 . . . . . . . . 5816 1 503 . 1 1 106 106 VAL CG2 C 13 21.9 0.4 . 1 . . . . . . . . 5816 1 504 . 1 1 106 106 VAL N N 15 121.2 0.1 . 1 . . . . . . . . 5816 1 505 . 1 1 107 107 LYS H H 1 8.30 0.02 . 1 . . . . . . . . 5816 1 506 . 1 1 107 107 LYS C C 13 175.4 0.1 . 1 . . . . . . . . 5816 1 507 . 1 1 107 107 LYS CA C 13 55.3 0.2 . 1 . . . . . . . . 5816 1 508 . 1 1 107 107 LYS CB C 13 33.8 0.3 . 1 . . . . . . . . 5816 1 509 . 1 1 107 107 LYS N N 15 125.3 0.1 . 1 . . . . . . . . 5816 1 510 . 1 1 108 108 ASP H H 1 7.11 0.02 . 1 . . . . . . . . 5816 1 511 . 1 1 108 108 ASP C C 13 177.1 0.1 . 1 . . . . . . . . 5816 1 512 . 1 1 108 108 ASP CA C 13 53.4 0.2 . 1 . . . . . . . . 5816 1 513 . 1 1 108 108 ASP CB C 13 43.7 0.3 . 1 . . . . . . . . 5816 1 514 . 1 1 108 108 ASP N N 15 116.3 0.1 . 1 . . . . . . . . 5816 1 515 . 1 1 109 109 THR H H 1 8.33 0.02 . 1 . . . . . . . . 5816 1 516 . 1 1 109 109 THR C C 13 175.1 0.1 . 1 . . . . . . . . 5816 1 517 . 1 1 109 109 THR CA C 13 60.6 0.2 . 1 . . . . . . . . 5816 1 518 . 1 1 109 109 THR CB C 13 68.8 0.3 . 1 . . . . . . . . 5816 1 519 . 1 1 109 109 THR CG2 C 13 20.6 0.4 . 1 . . . . . . . . 5816 1 520 . 1 1 109 109 THR N N 15 113.5 0.1 . 1 . . . . . . . . 5816 1 521 . 1 1 110 110 THR H H 1 8.9 0.02 . 1 . . . . . . . . 5816 1 522 . 1 1 110 110 THR C C 13 175.5 0.1 . 1 . . . . . . . . 5816 1 523 . 1 1 110 110 THR CA C 13 68.3 0.2 . 1 . . . . . . . . 5816 1 524 . 1 1 110 110 THR CB C 13 67.5 0.3 . 1 . . . . . . . . 5816 1 525 . 1 1 110 110 THR CG2 C 13 20.1 0.4 . 1 . . . . . . . . 5816 1 526 . 1 1 110 110 THR N N 15 121.7 0.1 . 1 . . . . . . . . 5816 1 527 . 1 1 111 111 HIS H H 1 9.41 0.02 . 1 . . . . . . . . 5816 1 528 . 1 1 111 111 HIS C C 13 172.1 0.1 . 1 . . . . . . . . 5816 1 529 . 1 1 111 111 HIS CA C 13 55.0 0.2 . 1 . . . . . . . . 5816 1 530 . 1 1 111 111 HIS CB C 13 30.1 0.3 . 1 . . . . . . . . 5816 1 531 . 1 1 111 111 HIS N N 15 112.9 0.1 . 1 . . . . . . . . 5816 1 532 . 1 1 112 112 ILE H H 1 6.79 0.02 . 1 . . . . . . . . 5816 1 533 . 1 1 112 112 ILE C C 13 171.5 0.1 . 1 . . . . . . . . 5816 1 534 . 1 1 112 112 ILE CA C 13 57.5 0.2 . 1 . . . . . . . . 5816 1 535 . 1 1 112 112 ILE CB C 13 39.7 0.3 . 1 . . . . . . . . 5816 1 536 . 1 1 112 112 ILE N N 15 117.7 0.1 . 1 . . . . . . . . 5816 1 537 . 1 1 113 113 LYS H H 1 8.14 0.02 . 1 . . . . . . . . 5816 1 538 . 1 1 113 113 LYS CA C 13 53.8 0.2 . 1 . . . . . . . . 5816 1 539 . 1 1 113 113 LYS CB C 13 36.1 0.3 . 1 . . . . . . . . 5816 1 540 . 1 1 113 113 LYS N N 15 120.5 0.1 . 1 . . . . . . . . 5816 1 541 . 1 1 115 115 ALA C C 13 174.1 0.1 . 1 . . . . . . . . 5816 1 542 . 1 1 115 115 ALA CA C 13 59.0 0.2 . 1 . . . . . . . . 5816 1 543 . 1 1 116 116 SER H H 1 9.07 0.02 . 1 . . . . . . . . 5816 1 544 . 1 1 116 116 SER C C 13 174.0 0.1 . 1 . . . . . . . . 5816 1 545 . 1 1 116 116 SER CA C 13 57.6 0.2 . 1 . . . . . . . . 5816 1 546 . 1 1 116 116 SER N N 15 121.8 0.1 . 1 . . . . . . . . 5816 1 547 . 1 1 117 117 ASP H H 1 9.12 0.02 . 1 . . . . . . . . 5816 1 548 . 1 1 117 117 ASP C C 13 174.6 0.1 . 1 . . . . . . . . 5816 1 549 . 1 1 117 117 ASP CA C 13 50.3 0.2 . 1 . . . . . . . . 5816 1 550 . 1 1 117 117 ASP CB C 13 41.9 0.3 . 1 . . . . . . . . 5816 1 551 . 1 1 117 117 ASP N N 15 126.3 0.1 . 1 . . . . . . . . 5816 1 552 . 1 1 118 118 PRO C C 13 180.7 0.1 . 1 . . . . . . . . 5816 1 553 . 1 1 118 118 PRO CA C 13 63.5 0.2 . 1 . . . . . . . . 5816 1 554 . 1 1 118 118 PRO CB C 13 31.2 0.3 . 1 . . . . . . . . 5816 1 555 . 1 1 119 119 GLY H H 1 9.81 0.02 . 1 . . . . . . . . 5816 1 556 . 1 1 119 119 GLY C C 13 175.2 0.1 . 1 . . . . . . . . 5816 1 557 . 1 1 119 119 GLY CA C 13 46.1 0.2 . 1 . . . . . . . . 5816 1 558 . 1 1 119 119 GLY N N 15 114.7 0.1 . 1 . . . . . . . . 5816 1 559 . 1 1 120 120 CYS H H 1 9.20 0.02 . 1 . . . . . . . . 5816 1 560 . 1 1 120 120 CYS C C 13 176.5 0.1 . 1 . . . . . . . . 5816 1 561 . 1 1 120 120 CYS CA C 13 60.3 0.2 . 1 . . . . . . . . 5816 1 562 . 1 1 120 120 CYS CB C 13 28.8 0.3 . 1 . . . . . . . . 5816 1 563 . 1 1 120 120 CYS N N 15 121.1 0.1 . 1 . . . . . . . . 5816 1 564 . 1 1 121 121 ALA H H 1 6.92 0.02 . 1 . . . . . . . . 5816 1 565 . 1 1 121 121 ALA C C 13 180.0 0.1 . 1 . . . . . . . . 5816 1 566 . 1 1 121 121 ALA CA C 13 56.4 0.2 . 1 . . . . . . . . 5816 1 567 . 1 1 121 121 ALA CB C 13 19.1 0.3 . 1 . . . . . . . . 5816 1 568 . 1 1 121 121 ALA N N 15 121.2 0.1 . 1 . . . . . . . . 5816 1 569 . 1 1 122 122 PHE H H 1 10.76 0.02 . 1 . . . . . . . . 5816 1 570 . 1 1 122 122 PHE C C 13 179.2 0.1 . 1 . . . . . . . . 5816 1 571 . 1 1 122 122 PHE CA C 13 60.3 0.2 . 1 . . . . . . . . 5816 1 572 . 1 1 122 122 PHE CB C 13 38.9 0.3 . 1 . . . . . . . . 5816 1 573 . 1 1 122 122 PHE N N 15 123.1 0.1 . 1 . . . . . . . . 5816 1 574 . 1 1 123 123 THR H H 1 10.07 0.02 . 1 . . . . . . . . 5816 1 575 . 1 1 123 123 THR C C 13 176.9 0.1 . 1 . . . . . . . . 5816 1 576 . 1 1 123 123 THR CA C 13 61.3 0.2 . 1 . . . . . . . . 5816 1 577 . 1 1 123 123 THR N N 15 123.2 0.1 . 1 . . . . . . . . 5816 1 578 . 1 1 124 124 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 5816 1 579 . 1 1 124 124 LYS C C 13 180.0 0.1 . 1 . . . . . . . . 5816 1 580 . 1 1 124 124 LYS CA C 13 58.0 0.2 . 1 . . . . . . . . 5816 1 581 . 1 1 124 124 LYS CB C 13 32.0 0.3 . 1 . . . . . . . . 5816 1 582 . 1 1 124 124 LYS N N 15 118.5 0.1 . 1 . . . . . . . . 5816 1 583 . 1 1 125 125 SER H H 1 7.25 0.02 . 1 . . . . . . . . 5816 1 584 . 1 1 125 125 SER C C 13 175.6 0.1 . 1 . . . . . . . . 5816 1 585 . 1 1 125 125 SER CA C 13 61.5 0.2 . 1 . . . . . . . . 5816 1 586 . 1 1 125 125 SER CB C 13 62.2 0.3 . 1 . . . . . . . . 5816 1 587 . 1 1 125 125 SER N N 15 119.1 0.1 . 1 . . . . . . . . 5816 1 588 . 1 1 126 126 ILE H H 1 6.18 0.02 . 1 . . . . . . . . 5816 1 589 . 1 1 126 126 ILE C C 13 174.8 0.1 . 1 . . . . . . . . 5816 1 590 . 1 1 126 126 ILE CA C 13 60.2 0.2 . 1 . . . . . . . . 5816 1 591 . 1 1 126 126 ILE CB C 13 36.6 0.3 . 1 . . . . . . . . 5816 1 592 . 1 1 126 126 ILE N N 15 112.4 0.1 . 1 . . . . . . . . 5816 1 593 . 1 1 127 127 GLY H H 1 7.17 0.02 . 1 . . . . . . . . 5816 1 594 . 1 1 127 127 GLY C C 13 176.8 0.1 . 1 . . . . . . . . 5816 1 595 . 1 1 127 127 GLY CA C 13 46.2 0.2 . 1 . . . . . . . . 5816 1 596 . 1 1 127 127 GLY N N 15 107.6 0.1 . 1 . . . . . . . . 5816 1 597 . 1 1 128 128 PHE H H 1 7.36 0.02 . 1 . . . . . . . . 5816 1 598 . 1 1 128 128 PHE C C 13 174.1 0.1 . 1 . . . . . . . . 5816 1 599 . 1 1 128 128 PHE CA C 13 53.1 0.2 . 1 . . . . . . . . 5816 1 600 . 1 1 128 128 PHE CB C 13 36.1 0.3 . 1 . . . . . . . . 5816 1 601 . 1 1 128 128 PHE N N 15 120.5 0.1 . 1 . . . . . . . . 5816 1 602 . 1 1 129 129 GLU H H 1 10.13 0.02 . 1 . . . . . . . . 5816 1 603 . 1 1 129 129 GLU C C 13 173.7 0.1 . 1 . . . . . . . . 5816 1 604 . 1 1 129 129 GLU CA C 13 56.6 0.2 . 1 . . . . . . . . 5816 1 605 . 1 1 129 129 GLU CB C 13 30.3 0.3 . 1 . . . . . . . . 5816 1 606 . 1 1 129 129 GLU N N 15 122.6 0.1 . 1 . . . . . . . . 5816 1 607 . 1 1 130 130 LEU H H 1 9.21 0.02 . 1 . . . . . . . . 5816 1 608 . 1 1 130 130 LEU C C 13 174.6 0.1 . 1 . . . . . . . . 5816 1 609 . 1 1 130 130 LEU CA C 13 53.7 0.2 . 1 . . . . . . . . 5816 1 610 . 1 1 130 130 LEU CB C 13 44.4 0.3 . 1 . . . . . . . . 5816 1 611 . 1 1 130 130 LEU N N 15 124.0 0.1 . 1 . . . . . . . . 5816 1 612 . 1 1 131 131 ALA H H 1 8.92 0.02 . 1 . . . . . . . . 5816 1 613 . 1 1 131 131 ALA C C 13 177.7 0.1 . 1 . . . . . . . . 5816 1 614 . 1 1 131 131 ALA CA C 13 52.0 0.2 . 1 . . . . . . . . 5816 1 615 . 1 1 131 131 ALA CB C 13 17.8 0.3 . 1 . . . . . . . . 5816 1 616 . 1 1 131 131 ALA N N 15 130.3 0.1 . 1 . . . . . . . . 5816 1 617 . 1 1 132 132 VAL H H 1 7.69 0.02 . 1 . . . . . . . . 5816 1 618 . 1 1 132 132 VAL C C 13 175.6 0.1 . 1 . . . . . . . . 5816 1 619 . 1 1 132 132 VAL CA C 13 61.2 0.2 . 1 . . . . . . . . 5816 1 620 . 1 1 132 132 VAL CB C 13 30.9 0.3 . 1 . . . . . . . . 5816 1 621 . 1 1 132 132 VAL CG1 C 13 19.9 0.4 . 2 . . . . . . . . 5816 1 622 . 1 1 132 132 VAL CG2 C 13 17.4 0.4 . 2 . . . . . . . . 5816 1 623 . 1 1 132 132 VAL N N 15 118.7 0.1 . 1 . . . . . . . . 5816 1 624 . 1 1 133 133 GLY H H 1 7.63 0.02 . 1 . . . . . . . . 5816 1 625 . 1 1 133 133 GLY C C 13 173.8 0.1 . 1 . . . . . . . . 5816 1 626 . 1 1 133 133 GLY CA C 13 44.0 0.2 . 1 . . . . . . . . 5816 1 627 . 1 1 133 133 GLY N N 15 110.0 0.1 . 1 . . . . . . . . 5816 1 628 . 1 1 134 134 ASP H H 1 8.71 0.02 . 1 . . . . . . . . 5816 1 629 . 1 1 134 134 ASP C C 13 175.9 0.1 . 1 . . . . . . . . 5816 1 630 . 1 1 134 134 ASP CA C 13 55.1 0.2 . 1 . . . . . . . . 5816 1 631 . 1 1 134 134 ASP CB C 13 39.4 0.3 . 1 . . . . . . . . 5816 1 632 . 1 1 134 134 ASP N N 15 120.0 0.1 . 1 . . . . . . . . 5816 1 633 . 1 1 135 135 GLY H H 1 8.26 0.02 . 1 . . . . . . . . 5816 1 634 . 1 1 135 135 GLY C C 13 173.4 0.1 . 1 . . . . . . . . 5816 1 635 . 1 1 135 135 GLY CA C 13 45.5 0.2 . 1 . . . . . . . . 5816 1 636 . 1 1 135 135 GLY N N 15 108.5 0.1 . 1 . . . . . . . . 5816 1 637 . 1 1 136 136 VAL H H 1 7.23 0.02 . 1 . . . . . . . . 5816 1 638 . 1 1 136 136 VAL C C 13 174.5 0.1 . 1 . . . . . . . . 5816 1 639 . 1 1 136 136 VAL CA C 13 61.7 0.2 . 1 . . . . . . . . 5816 1 640 . 1 1 136 136 VAL CB C 13 32.0 0.3 . 1 . . . . . . . . 5816 1 641 . 1 1 136 136 VAL CG1 C 13 21.1 0.4 . 1 . . . . . . . . 5816 1 642 . 1 1 136 136 VAL CG2 C 13 21.1 0.4 . 1 . . . . . . . . 5816 1 643 . 1 1 136 136 VAL N N 15 120.9 0.1 . 1 . . . . . . . . 5816 1 644 . 1 1 137 137 TYR H H 1 8.52 0.02 . 1 . . . . . . . . 5816 1 645 . 1 1 137 137 TYR C C 13 175.1 0.1 . 1 . . . . . . . . 5816 1 646 . 1 1 137 137 TYR CA C 13 56.9 0.2 . 1 . . . . . . . . 5816 1 647 . 1 1 137 137 TYR CB C 13 40.6 0.3 . 1 . . . . . . . . 5816 1 648 . 1 1 137 137 TYR N N 15 124.9 0.1 . 1 . . . . . . . . 5816 1 649 . 1 1 138 138 TRP H H 1 9.28 0.02 . 1 . . . . . . . . 5816 1 650 . 1 1 138 138 TRP C C 13 176.8 0.1 . 1 . . . . . . . . 5816 1 651 . 1 1 138 138 TRP CA C 13 52.9 0.2 . 1 . . . . . . . . 5816 1 652 . 1 1 138 138 TRP CB C 13 32.2 0.3 . 1 . . . . . . . . 5816 1 653 . 1 1 138 138 TRP N N 15 124.2 0.1 . 1 . . . . . . . . 5816 1 654 . 1 1 138 138 TRP NE1 N 15 127.4 0.1 . 1 . . . . . . . . 5816 1 655 . 1 1 138 138 TRP HE1 H 1 9.95 0.02 . 1 . . . . . . . . 5816 1 656 . 1 1 139 139 SER H H 1 8.66 0.02 . 1 . . . . . . . . 5816 1 657 . 1 1 139 139 SER C C 13 175.3 0.1 . 1 . . . . . . . . 5816 1 658 . 1 1 139 139 SER CA C 13 60.4 0.2 . 1 . . . . . . . . 5816 1 659 . 1 1 139 139 SER CB C 13 62.8 0.3 . 1 . . . . . . . . 5816 1 660 . 1 1 139 139 SER N N 15 115.5 0.1 . 1 . . . . . . . . 5816 1 661 . 1 1 140 140 GLY H H 1 8.04 0.02 . 1 . . . . . . . . 5816 1 662 . 1 1 140 140 GLY C C 13 172.3 0.1 . 1 . . . . . . . . 5816 1 663 . 1 1 140 140 GLY CA C 13 44.6 0.2 . 1 . . . . . . . . 5816 1 664 . 1 1 140 140 GLY N N 15 107.8 0.1 . 1 . . . . . . . . 5816 1 665 . 1 1 141 141 ARG H H 1 8.75 0.02 . 1 . . . . . . . . 5816 1 666 . 1 1 141 141 ARG C C 13 174.0 0.1 . 1 . . . . . . . . 5816 1 667 . 1 1 141 141 ARG CA C 13 54.9 0.2 . 1 . . . . . . . . 5816 1 668 . 1 1 141 141 ARG CB C 13 31.1 0.3 . 1 . . . . . . . . 5816 1 669 . 1 1 141 141 ARG N N 15 121.5 0.1 . 1 . . . . . . . . 5816 1 670 . 1 1 142 142 TRP H H 1 8.00 0.02 . 1 . . . . . . . . 5816 1 671 . 1 1 142 142 TRP C C 13 175.3 0.1 . 1 . . . . . . . . 5816 1 672 . 1 1 142 142 TRP CA C 13 54.5 0.2 . 1 . . . . . . . . 5816 1 673 . 1 1 142 142 TRP N N 15 123.3 0.1 . 1 . . . . . . . . 5816 1 674 . 1 1 143 143 ALA H H 1 9.28 0.02 . 1 . . . . . . . . 5816 1 675 . 1 1 143 143 ALA C C 13 175.0 0.1 . 1 . . . . . . . . 5816 1 676 . 1 1 143 143 ALA CA C 13 52.2 0.2 . 1 . . . . . . . . 5816 1 677 . 1 1 143 143 ALA CB C 13 23.5 0.3 . 1 . . . . . . . . 5816 1 678 . 1 1 143 143 ALA N N 15 121.6 0.1 . 1 . . . . . . . . 5816 1 679 . 1 1 144 144 MET H H 1 9.78 0.02 . 1 . . . . . . . . 5816 1 680 . 1 1 144 144 MET C C 13 173.9 0.1 . 1 . . . . . . . . 5816 1 681 . 1 1 144 144 MET CA C 13 54.5 0.2 . 1 . . . . . . . . 5816 1 682 . 1 1 144 144 MET N N 15 119.5 0.1 . 1 . . . . . . . . 5816 1 683 . 1 1 145 145 VAL H H 1 8.87 0.02 . 1 . . . . . . . . 5816 1 684 . 1 1 145 145 VAL C C 13 174.5 0.1 . 1 . . . . . . . . 5816 1 685 . 1 1 145 145 VAL CA C 13 61.4 0.2 . 1 . . . . . . . . 5816 1 686 . 1 1 145 145 VAL N N 15 123.3 0.1 . 1 . . . . . . . . 5816 1 687 . 1 1 146 146 VAL H H 1 9.29 0.02 . 1 . . . . . . . . 5816 1 688 . 1 1 146 146 VAL C C 13 174.7 0.1 . 1 . . . . . . . . 5816 1 689 . 1 1 146 146 VAL CA C 13 60.3 0.2 . 1 . . . . . . . . 5816 1 690 . 1 1 146 146 VAL CB C 13 33.4 0.3 . 1 . . . . . . . . 5816 1 691 . 1 1 146 146 VAL N N 15 127.5 0.1 . 1 . . . . . . . . 5816 1 692 . 1 1 147 147 GLU H H 1 9.33 0.02 . 1 . . . . . . . . 5816 1 693 . 1 1 147 147 GLU C C 13 177.0 0.1 . 1 . . . . . . . . 5816 1 694 . 1 1 147 147 GLU CA C 13 54.2 0.2 . 1 . . . . . . . . 5816 1 695 . 1 1 147 147 GLU CB C 13 32.6 0.3 . 1 . . . . . . . . 5816 1 696 . 1 1 147 147 GLU CG C 13 36.6 0.4 . 1 . . . . . . . . 5816 1 697 . 1 1 147 147 GLU N N 15 125.7 0.1 . 1 . . . . . . . . 5816 1 698 . 1 1 148 148 ASN H H 1 10.38 0.02 . 1 . . . . . . . . 5816 1 699 . 1 1 148 148 ASN C C 13 175.9 0.1 . 1 . . . . . . . . 5816 1 700 . 1 1 148 148 ASN CA C 13 54.1 0.2 . 1 . . . . . . . . 5816 1 701 . 1 1 148 148 ASN CB C 13 37.4 0.3 . 1 . . . . . . . . 5816 1 702 . 1 1 148 148 ASN CG C 13 178.2 0.1 . 1 . . . . . . . . 5816 1 703 . 1 1 148 148 ASN N N 15 126.9 0.1 . 1 . . . . . . . . 5816 1 704 . 1 1 148 148 ASN ND2 N 15 112.7 0.1 . 1 . . . . . . . . 5816 1 705 . 1 1 148 148 ASN HD21 H 1 7.58 0.02 . 1 . . . . . . . . 5816 1 706 . 1 1 148 148 ASN HD22 H 1 6.85 0.02 . 1 . . . . . . . . 5816 1 707 . 1 1 149 149 GLY H H 1 8.75 0.02 . 1 . . . . . . . . 5816 1 708 . 1 1 149 149 GLY C C 13 172.8 0.1 . 1 . . . . . . . . 5816 1 709 . 1 1 149 149 GLY CA C 13 45.5 0.2 . 1 . . . . . . . . 5816 1 710 . 1 1 149 149 GLY N N 15 101.6 0.1 . 1 . . . . . . . . 5816 1 711 . 1 1 150 150 ILE H H 1 7.93 0.02 . 1 . . . . . . . . 5816 1 712 . 1 1 150 150 ILE C C 13 175.1 0.1 . 1 . . . . . . . . 5816 1 713 . 1 1 150 150 ILE CA C 13 58.2 0.2 . 1 . . . . . . . . 5816 1 714 . 1 1 150 150 ILE CB C 13 38.3 0.3 . 1 . . . . . . . . 5816 1 715 . 1 1 150 150 ILE N N 15 122.9 0.1 . 1 . . . . . . . . 5816 1 716 . 1 1 151 151 VAL H H 1 8.49 0.02 . 1 . . . . . . . . 5816 1 717 . 1 1 151 151 VAL C C 13 176.3 0.1 . 1 . . . . . . . . 5816 1 718 . 1 1 151 151 VAL CA C 13 62.7 0.2 . 1 . . . . . . . . 5816 1 719 . 1 1 151 151 VAL CB C 13 30.6 0.3 . 1 . . . . . . . . 5816 1 720 . 1 1 151 151 VAL N N 15 126.8 0.1 . 1 . . . . . . . . 5816 1 721 . 1 1 152 152 THR H H 1 9.14 0.02 . 1 . . . . . . . . 5816 1 722 . 1 1 152 152 THR C C 13 175.4 0.1 . 1 . . . . . . . . 5816 1 723 . 1 1 152 152 THR CA C 13 61.8 0.2 . 1 . . . . . . . . 5816 1 724 . 1 1 152 152 THR CB C 13 68.5 0.3 . 1 . . . . . . . . 5816 1 725 . 1 1 152 152 THR N N 15 120.4 0.1 . 1 . . . . . . . . 5816 1 726 . 1 1 153 153 TYR H H 1 7.67 0.02 . 1 . . . . . . . . 5816 1 727 . 1 1 153 153 TYR C C 13 173.6 0.1 . 1 . . . . . . . . 5816 1 728 . 1 1 153 153 TYR CA C 13 57.8 0.2 . 1 . . . . . . . . 5816 1 729 . 1 1 153 153 TYR CB C 13 41.4 0.3 . 1 . . . . . . . . 5816 1 730 . 1 1 153 153 TYR N N 15 122.1 0.1 . 1 . . . . . . . . 5816 1 731 . 1 1 154 154 ALA H H 1 7.45 0.02 . 1 . . . . . . . . 5816 1 732 . 1 1 154 154 ALA C C 13 174.1 0.1 . 1 . . . . . . . . 5816 1 733 . 1 1 154 154 ALA CA C 13 51.9 0.2 . 1 . . . . . . . . 5816 1 734 . 1 1 154 154 ALA CB C 13 21.0 0.3 . 1 . . . . . . . . 5816 1 735 . 1 1 154 154 ALA N N 15 127.8 0.1 . 1 . . . . . . . . 5816 1 736 . 1 1 155 155 ALA H H 1 8.57 0.02 . 1 . . . . . . . . 5816 1 737 . 1 1 155 155 ALA C C 13 173.6 0.1 . 1 . . . . . . . . 5816 1 738 . 1 1 155 155 ALA CA C 13 51.8 0.2 . 1 . . . . . . . . 5816 1 739 . 1 1 155 155 ALA CB C 13 22.8 0.3 . 1 . . . . . . . . 5816 1 740 . 1 1 155 155 ALA N N 15 123.9 0.1 . 1 . . . . . . . . 5816 1 741 . 1 1 156 156 LYS H H 1 8.30 0.02 . 1 . . . . . . . . 5816 1 742 . 1 1 156 156 LYS C C 13 175.1 0.1 . 1 . . . . . . . . 5816 1 743 . 1 1 156 156 LYS CA C 13 53.0 0.2 . 1 . . . . . . . . 5816 1 744 . 1 1 156 156 LYS CB C 13 35.3 0.3 . 1 . . . . . . . . 5816 1 745 . 1 1 156 156 LYS N N 15 118.0 0.1 . 1 . . . . . . . . 5816 1 746 . 1 1 157 157 GLU H H 1 8.71 0.02 . 1 . . . . . . . . 5816 1 747 . 1 1 157 157 GLU C C 13 178.0 0.1 . 1 . . . . . . . . 5816 1 748 . 1 1 157 157 GLU CA C 13 54.6 0.2 . 1 . . . . . . . . 5816 1 749 . 1 1 157 157 GLU CB C 13 28.1 0.3 . 1 . . . . . . . . 5816 1 750 . 1 1 157 157 GLU N N 15 118.9 0.1 . 1 . . . . . . . . 5816 1 751 . 1 1 158 158 THR H H 1 8.70 0.02 . 1 . . . . . . . . 5816 1 752 . 1 1 158 158 THR C C 13 174.6 0.1 . 1 . . . . . . . . 5816 1 753 . 1 1 158 158 THR CA C 13 64.5 0.2 . 1 . . . . . . . . 5816 1 754 . 1 1 158 158 THR CB C 13 68.6 0.3 . 1 . . . . . . . . 5816 1 755 . 1 1 158 158 THR CG2 C 13 21.6 0.4 . 1 . . . . . . . . 5816 1 756 . 1 1 158 158 THR N N 15 118.9 0.1 . 1 . . . . . . . . 5816 1 757 . 1 1 159 159 ASN H H 1 8.29 0.02 . 1 . . . . . . . . 5816 1 758 . 1 1 159 159 ASN C C 13 172.8 0.1 . 1 . . . . . . . . 5816 1 759 . 1 1 159 159 ASN CA C 13 50.0 0.2 . 1 . . . . . . . . 5816 1 760 . 1 1 159 159 ASN CB C 13 37.9 0.3 . 1 . . . . . . . . 5816 1 761 . 1 1 159 159 ASN CG C 13 177.7 0.1 . 1 . . . . . . . . 5816 1 762 . 1 1 159 159 ASN N N 15 118.3 0.1 . 1 . . . . . . . . 5816 1 763 . 1 1 159 159 ASN ND2 N 15 113.8 0.1 . 1 . . . . . . . . 5816 1 764 . 1 1 159 159 ASN HD21 H 1 7.62 0.02 . 1 . . . . . . . . 5816 1 765 . 1 1 159 159 ASN HD22 H 1 6.81 0.02 . 1 . . . . . . . . 5816 1 766 . 1 1 160 160 PRO C C 13 177.1 0.1 . 1 . . . . . . . . 5816 1 767 . 1 1 160 160 PRO CA C 13 64.1 0.2 . 1 . . . . . . . . 5816 1 768 . 1 1 160 160 PRO CB C 13 32.7 0.3 . 1 . . . . . . . . 5816 1 769 . 1 1 161 161 GLY H H 1 8.92 0.02 . 1 . . . . . . . . 5816 1 770 . 1 1 161 161 GLY C C 13 174.9 0.1 . 1 . . . . . . . . 5816 1 771 . 1 1 161 161 GLY CA C 13 46.5 0.2 . 1 . . . . . . . . 5816 1 772 . 1 1 161 161 GLY N N 15 105.4 0.1 . 1 . . . . . . . . 5816 1 773 . 1 1 162 162 THR H H 1 7.08 0.02 . 1 . . . . . . . . 5816 1 774 . 1 1 162 162 THR C C 13 173.7 0.1 . 1 . . . . . . . . 5816 1 775 . 1 1 162 162 THR CA C 13 61.6 0.2 . 1 . . . . . . . . 5816 1 776 . 1 1 162 162 THR CB C 13 70.9 0.3 . 1 . . . . . . . . 5816 1 777 . 1 1 162 162 THR CG2 C 13 20.7 0.4 . 1 . . . . . . . . 5816 1 778 . 1 1 162 162 THR N N 15 106.5 0.1 . 1 . . . . . . . . 5816 1 779 . 1 1 163 163 ASP H H 1 7.84 0.02 . 1 . . . . . . . . 5816 1 780 . 1 1 163 163 ASP C C 13 173.7 0.1 . 1 . . . . . . . . 5816 1 781 . 1 1 163 163 ASP CA C 13 54.3 0.2 . 1 . . . . . . . . 5816 1 782 . 1 1 163 163 ASP CB C 13 41.9 0.3 . 1 . . . . . . . . 5816 1 783 . 1 1 163 163 ASP N N 15 123.0 0.1 . 1 . . . . . . . . 5816 1 784 . 1 1 164 164 VAL H H 1 8.06 0.02 . 1 . . . . . . . . 5816 1 785 . 1 1 164 164 VAL C C 13 175.7 0.1 . 1 . . . . . . . . 5816 1 786 . 1 1 164 164 VAL CA C 13 61.6 0.2 . 1 . . . . . . . . 5816 1 787 . 1 1 164 164 VAL N N 15 119.8 0.1 . 1 . . . . . . . . 5816 1 788 . 1 1 165 165 THR H H 1 10.87 0.02 . 1 . . . . . . . . 5816 1 789 . 1 1 165 165 THR C C 13 176.9 0.1 . 1 . . . . . . . . 5816 1 790 . 1 1 165 165 THR CA C 13 58.7 0.2 . 1 . . . . . . . . 5816 1 791 . 1 1 165 165 THR CB C 13 70.2 0.3 . 1 . . . . . . . . 5816 1 792 . 1 1 165 165 THR N N 15 120.3 0.1 . 1 . . . . . . . . 5816 1 793 . 1 1 166 166 VAL H H 1 9.80 0.02 . 1 . . . . . . . . 5816 1 794 . 1 1 166 166 VAL C C 13 176.0 0.1 . 1 . . . . . . . . 5816 1 795 . 1 1 166 166 VAL CA C 13 62.6 0.2 . 1 . . . . . . . . 5816 1 796 . 1 1 166 166 VAL CB C 13 29.9 0.3 . 1 . . . . . . . . 5816 1 797 . 1 1 166 166 VAL N N 15 123.2 0.1 . 1 . . . . . . . . 5816 1 798 . 1 1 167 167 SER C C 13 174.4 0.1 . 1 . . . . . . . . 5816 1 799 . 1 1 167 167 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 5816 1 800 . 1 1 167 167 SER CB C 13 63.5 0.3 . 1 . . . . . . . . 5816 1 801 . 1 1 168 168 SER H H 1 7.74 0.02 . 1 . . . . . . . . 5816 1 802 . 1 1 168 168 SER CA C 13 57.2 0.2 . 1 . . . . . . . . 5816 1 803 . 1 1 168 168 SER CB C 13 65.6 0.3 . 1 . . . . . . . . 5816 1 804 . 1 1 168 168 SER N N 15 120.1 0.1 . 1 . . . . . . . . 5816 1 805 . 1 1 169 169 VAL C C 13 175.8 0.1 . 1 . . . . . . . . 5816 1 806 . 1 1 169 169 VAL CA C 13 56.0 0.2 . 1 . . . . . . . . 5816 1 807 . 1 1 169 169 VAL CB C 13 29.6 0.3 . 1 . . . . . . . . 5816 1 808 . 1 1 170 170 GLU H H 1 8.37 0.02 . 1 . . . . . . . . 5816 1 809 . 1 1 170 170 GLU C C 13 179.7 0.1 . 1 . . . . . . . . 5816 1 810 . 1 1 170 170 GLU CA C 13 60.7 0.2 . 1 . . . . . . . . 5816 1 811 . 1 1 170 170 GLU CB C 13 27.2 0.3 . 1 . . . . . . . . 5816 1 812 . 1 1 170 170 GLU CG C 13 37.2 0.4 . 1 . . . . . . . . 5816 1 813 . 1 1 170 170 GLU N N 15 120.7 0.1 . 1 . . . . . . . . 5816 1 814 . 1 1 171 171 SER H H 1 7.89 0.02 . 1 . . . . . . . . 5816 1 815 . 1 1 171 171 SER C C 13 176.5 0.1 . 1 . . . . . . . . 5816 1 816 . 1 1 171 171 SER CA C 13 61.5 0.2 . 1 . . . . . . . . 5816 1 817 . 1 1 171 171 SER CB C 13 62.7 0.3 . 1 . . . . . . . . 5816 1 818 . 1 1 171 171 SER N N 15 117.7 0.1 . 1 . . . . . . . . 5816 1 819 . 1 1 172 172 VAL H H 1 7.62 0.02 . 1 . . . . . . . . 5816 1 820 . 1 1 172 172 VAL C C 13 178.2 0.1 . 1 . . . . . . . . 5816 1 821 . 1 1 172 172 VAL CA C 13 66.8 0.2 . 1 . . . . . . . . 5816 1 822 . 1 1 172 172 VAL CB C 13 30.7 0.3 . 1 . . . . . . . . 5816 1 823 . 1 1 172 172 VAL N N 15 122.9 0.1 . 1 . . . . . . . . 5816 1 824 . 1 1 173 173 LEU H H 1 8.66 0.02 . 1 . . . . . . . . 5816 1 825 . 1 1 173 173 LEU C C 13 178.6 0.1 . 1 . . . . . . . . 5816 1 826 . 1 1 173 173 LEU CA C 13 57.9 0.2 . 1 . . . . . . . . 5816 1 827 . 1 1 173 173 LEU CB C 13 41.5 0.3 . 1 . . . . . . . . 5816 1 828 . 1 1 173 173 LEU N N 15 120.0 0.1 . 1 . . . . . . . . 5816 1 829 . 1 1 174 174 ALA H H 1 6.97 0.02 . 1 . . . . . . . . 5816 1 830 . 1 1 174 174 ALA C C 13 177.7 0.1 . 1 . . . . . . . . 5816 1 831 . 1 1 174 174 ALA CA C 13 53.0 0.2 . 1 . . . . . . . . 5816 1 832 . 1 1 174 174 ALA CB C 13 17.5 0.3 . 1 . . . . . . . . 5816 1 833 . 1 1 174 174 ALA N N 15 117.3 0.1 . 1 . . . . . . . . 5816 1 834 . 1 1 175 175 HIS H H 1 7.88 0.02 . 1 . . . . . . . . 5816 1 835 . 1 1 175 175 HIS C C 13 172.8 0.1 . 1 . . . . . . . . 5816 1 836 . 1 1 175 175 HIS CA C 13 56.0 0.2 . 1 . . . . . . . . 5816 1 837 . 1 1 175 175 HIS CB C 13 28.5 0.3 . 1 . . . . . . . . 5816 1 838 . 1 1 175 175 HIS N N 15 115.7 0.1 . 1 . . . . . . . . 5816 1 839 . 1 1 176 176 LEU H H 1 6.99 0.02 . 1 . . . . . . . . 5816 1 840 . 1 1 176 176 LEU C C 13 181.6 0.1 . 1 . . . . . . . . 5816 1 841 . 1 1 176 176 LEU CA C 13 55.5 0.2 . 1 . . . . . . . . 5816 1 842 . 1 1 176 176 LEU CB C 13 43.7 0.3 . 1 . . . . . . . . 5816 1 843 . 1 1 176 176 LEU N N 15 125.0 0.1 . 1 . . . . . . . . 5816 1 stop_ save_