data_4029 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4029 _Entry.Title ; Chemical Shift Mapping of the RNA-binding Interface to the Multiple-RBD Protein Sex-Lethal: Chemical Shifts for the Free Protein ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1997-03-15 _Entry.Accession_date 1997-03-21 _Entry.Last_release_date . _Entry.Original_release_date . _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 Andrew Lee . L . 4029 2 Brian Volkman . F . 4029 3 Stephanie Robertson . A . 4029 4 David Rudner . Z . 4029 5 Daniel Barbash . A . 4029 6 Thomas Cline . W . 4029 7 Roland Kanaar . . . 4029 8 Donald Rio . C . 4029 9 David Wemmer . E . 4029 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4029 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 297 4029 '15N chemical shifts' 149 4029 '1H chemical shifts' 311 4029 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 . . 1999-10-11 . reformat BMRB 'Format updated to NMR-STAR version 2.1' 4029 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4028 'chemical shifts for the Sex-Lethal protein - RNA complex' 4029 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4029 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98062897 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Lee, A.L., Volkman, B.F., Rudner, D.Z., Barbash, D.A., Cline, T.W, Kanaar, R., Rio D.C., and Wemmer, D.E., "Chemical Shift Mapping of the RNA-binding Interface to the Multiple-RBD Protein Sex-Lethal," Biochemistry 36, 14306-14317 (1997). ; _Citation.Title ; Chemical Shift Mapping of the RNA-binding Interface to the Multiple-RBD Protein Sex-Lethal ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 36 _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 14306 _Citation.Page_last 14317 _Citation.Year 1997 _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 Andrew Lee . L . 4029 1 2 Brian Volkman . F . 4029 1 3 Stephanie Robertson . A . 4029 1 4 David Rudner . Z . 4029 1 5 Daniel Barbash . A . 4029 1 6 Thomas Cline . W . 4029 1 7 Roland Kanaar . . . 4029 1 8 Donald Rio . C . 4029 1 9 David Wemmer . E . 4029 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ALTERNATIVE SPLICING' 4029 1 RNA-BINDING 4029 1 'SEXUAL DIFFERENTIATION' 4029 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Sxl-RBD1+2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Sxl-RBD1+2 _Assembly.Entry_ID 4029 _Assembly.ID 1 _Assembly.Name Sxl-RBD1+2 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4029 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 'Sex-lethal protein' 1 $Sxl-RBD1+2 . . . native . . . . . 4029 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Sxl-RBD1+2 abbreviation 4029 1 Sxl-RBD1+2 system 4029 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNA-binding protein' 4029 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sxl-RBD1+2 _Entity.Sf_category entity _Entity.Sf_framecode Sxl-RBD1+2 _Entity.Entry_ID 4029 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Sex-lethal protein' _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 ; MGSDDLMNDPRASNTNLIVN YLPQDMTDRELYALFRAIGP INTCRIMRDYKTGYSFGYAF VDFTSEMDSQRAIKVLNGIT VRNKRLKVSYARPGGESIKD TNLYVTNLPRTITDDQLDTI FGKYGSIVQKNILRDKLTGR PRGVAFVRYNKREEAQEAIS ALNNVIPEGGSQPLSVRLAE EHGK ; _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 184 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; RNP consensus-sequence domains 1 and 2 from Sex-lethal protein RNA-binding domains 1 and 2 of the Sex-lethal protein with no RNA bound ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4028 . "Sex-lethal protein" . . . . . 100.00 184 100.00 100.00 5.55e-131 . . . . 4029 1 2 no PDB 1B7F . "Sxl-Lethal ProteinRNA COMPLEX" . . . . . 91.30 168 99.40 100.00 7.33e-117 . . . . 4029 1 3 no PDB 3SXL . "Sex-Lethal Rna Recognition Domains 1 And 2 From Drosophila Melanogaster" . . . . . 98.91 184 98.35 98.35 3.66e-126 . . . . 4029 1 4 no GB AAA28884 . "sex-linked protein [Drosophila melanogaster]" . . . . . 99.46 354 100.00 100.00 7.90e-128 . . . . 4029 1 5 no GB AAA28921 . "putative [Drosophila melanogaster]" . . . . . 99.46 366 100.00 100.00 3.28e-127 . . . . 4029 1 6 no GB AAA28922 . "Sx1 [Drosophila melanogaster]" . . . . . 99.46 354 100.00 100.00 7.90e-128 . . . . 4029 1 7 no GB AAF46240 . "Sex lethal, isoform H [Drosophila melanogaster]" . . . . . 99.46 366 100.00 100.00 3.07e-127 . . . . 4029 1 8 no GB AAF46241 . "Sex lethal, isoform W [Drosophila melanogaster]" . . . . . 99.46 344 100.00 100.00 1.40e-127 . . . . 4029 1 9 no PIR B39725 . "sex-lethal sex determination protein MS11 - fruit fly (Drosophila melanogaster)" . . . . . 99.46 366 100.00 100.00 3.28e-127 . . . . 4029 1 10 no REF NP_001027062 . "Sex lethal, isoform O [Drosophila melanogaster]" . . . . . 99.46 364 100.00 100.00 1.98e-127 . . . . 4029 1 11 no REF NP_001027063 . "Sex lethal, isoform N [Drosophila melanogaster]" . . . . . 99.46 344 100.00 100.00 3.46e-128 . . . . 4029 1 12 no REF NP_001027065 . "Sex lethal, isoform L [Drosophila melanogaster]" . . . . . 99.46 354 100.00 100.00 7.90e-128 . . . . 4029 1 13 no REF NP_001162686 . "Sex lethal, isoform P [Drosophila melanogaster]" . . . . . 99.46 352 100.00 100.00 1.32e-127 . . . . 4029 1 14 no REF NP_001162688 . "Sex lethal, isoform R [Drosophila melanogaster]" . . . . . 99.46 342 100.00 100.00 8.54e-128 . . . . 4029 1 15 no SP P19339 . "RecName: Full=Protein sex-lethal" . . . . . 99.46 354 100.00 100.00 7.90e-128 . . . . 4029 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Sex-lethal protein' common 4029 1 Sxl-RBD1+2 abbreviation 4029 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 . 4029 1 2 . GLY . 4029 1 3 . SER . 4029 1 4 . ASP . 4029 1 5 . ASP . 4029 1 6 . LEU . 4029 1 7 . MET . 4029 1 8 . ASN . 4029 1 9 . ASP . 4029 1 10 . PRO . 4029 1 11 . ARG . 4029 1 12 . ALA . 4029 1 13 . SER . 4029 1 14 . ASN . 4029 1 15 . THR . 4029 1 16 . ASN . 4029 1 17 . LEU . 4029 1 18 . ILE . 4029 1 19 . VAL . 4029 1 20 . ASN . 4029 1 21 . TYR . 4029 1 22 . LEU . 4029 1 23 . PRO . 4029 1 24 . GLN . 4029 1 25 . ASP . 4029 1 26 . MET . 4029 1 27 . THR . 4029 1 28 . ASP . 4029 1 29 . ARG . 4029 1 30 . GLU . 4029 1 31 . LEU . 4029 1 32 . TYR . 4029 1 33 . ALA . 4029 1 34 . LEU . 4029 1 35 . PHE . 4029 1 36 . ARG . 4029 1 37 . ALA . 4029 1 38 . ILE . 4029 1 39 . GLY . 4029 1 40 . PRO . 4029 1 41 . ILE . 4029 1 42 . ASN . 4029 1 43 . THR . 4029 1 44 . CYS . 4029 1 45 . ARG . 4029 1 46 . ILE . 4029 1 47 . MET . 4029 1 48 . ARG . 4029 1 49 . ASP . 4029 1 50 . TYR . 4029 1 51 . LYS . 4029 1 52 . THR . 4029 1 53 . GLY . 4029 1 54 . TYR . 4029 1 55 . SER . 4029 1 56 . PHE . 4029 1 57 . GLY . 4029 1 58 . TYR . 4029 1 59 . ALA . 4029 1 60 . PHE . 4029 1 61 . VAL . 4029 1 62 . ASP . 4029 1 63 . PHE . 4029 1 64 . THR . 4029 1 65 . SER . 4029 1 66 . GLU . 4029 1 67 . MET . 4029 1 68 . ASP . 4029 1 69 . SER . 4029 1 70 . GLN . 4029 1 71 . ARG . 4029 1 72 . ALA . 4029 1 73 . ILE . 4029 1 74 . LYS . 4029 1 75 . VAL . 4029 1 76 . LEU . 4029 1 77 . ASN . 4029 1 78 . GLY . 4029 1 79 . ILE . 4029 1 80 . THR . 4029 1 81 . VAL . 4029 1 82 . ARG . 4029 1 83 . ASN . 4029 1 84 . LYS . 4029 1 85 . ARG . 4029 1 86 . LEU . 4029 1 87 . LYS . 4029 1 88 . VAL . 4029 1 89 . SER . 4029 1 90 . TYR . 4029 1 91 . ALA . 4029 1 92 . ARG . 4029 1 93 . PRO . 4029 1 94 . GLY . 4029 1 95 . GLY . 4029 1 96 . GLU . 4029 1 97 . SER . 4029 1 98 . ILE . 4029 1 99 . LYS . 4029 1 100 . ASP . 4029 1 101 . THR . 4029 1 102 . ASN . 4029 1 103 . LEU . 4029 1 104 . TYR . 4029 1 105 . VAL . 4029 1 106 . THR . 4029 1 107 . ASN . 4029 1 108 . LEU . 4029 1 109 . PRO . 4029 1 110 . ARG . 4029 1 111 . THR . 4029 1 112 . ILE . 4029 1 113 . THR . 4029 1 114 . ASP . 4029 1 115 . ASP . 4029 1 116 . GLN . 4029 1 117 . LEU . 4029 1 118 . ASP . 4029 1 119 . THR . 4029 1 120 . ILE . 4029 1 121 . PHE . 4029 1 122 . GLY . 4029 1 123 . LYS . 4029 1 124 . TYR . 4029 1 125 . GLY . 4029 1 126 . SER . 4029 1 127 . ILE . 4029 1 128 . VAL . 4029 1 129 . GLN . 4029 1 130 . LYS . 4029 1 131 . ASN . 4029 1 132 . ILE . 4029 1 133 . LEU . 4029 1 134 . ARG . 4029 1 135 . ASP . 4029 1 136 . LYS . 4029 1 137 . LEU . 4029 1 138 . THR . 4029 1 139 . GLY . 4029 1 140 . ARG . 4029 1 141 . PRO . 4029 1 142 . ARG . 4029 1 143 . GLY . 4029 1 144 . VAL . 4029 1 145 . ALA . 4029 1 146 . PHE . 4029 1 147 . VAL . 4029 1 148 . ARG . 4029 1 149 . TYR . 4029 1 150 . ASN . 4029 1 151 . LYS . 4029 1 152 . ARG . 4029 1 153 . GLU . 4029 1 154 . GLU . 4029 1 155 . ALA . 4029 1 156 . GLN . 4029 1 157 . GLU . 4029 1 158 . ALA . 4029 1 159 . ILE . 4029 1 160 . SER . 4029 1 161 . ALA . 4029 1 162 . LEU . 4029 1 163 . ASN . 4029 1 164 . ASN . 4029 1 165 . VAL . 4029 1 166 . ILE . 4029 1 167 . PRO . 4029 1 168 . GLU . 4029 1 169 . GLY . 4029 1 170 . GLY . 4029 1 171 . SER . 4029 1 172 . GLN . 4029 1 173 . PRO . 4029 1 174 . LEU . 4029 1 175 . SER . 4029 1 176 . VAL . 4029 1 177 . ARG . 4029 1 178 . LEU . 4029 1 179 . ALA . 4029 1 180 . GLU . 4029 1 181 . GLU . 4029 1 182 . HIS . 4029 1 183 . GLY . 4029 1 184 . LYS . 4029 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 4029 1 . GLY 2 2 4029 1 . SER 3 3 4029 1 . ASP 4 4 4029 1 . ASP 5 5 4029 1 . LEU 6 6 4029 1 . MET 7 7 4029 1 . ASN 8 8 4029 1 . ASP 9 9 4029 1 . PRO 10 10 4029 1 . ARG 11 11 4029 1 . ALA 12 12 4029 1 . SER 13 13 4029 1 . ASN 14 14 4029 1 . THR 15 15 4029 1 . ASN 16 16 4029 1 . LEU 17 17 4029 1 . ILE 18 18 4029 1 . VAL 19 19 4029 1 . ASN 20 20 4029 1 . TYR 21 21 4029 1 . LEU 22 22 4029 1 . PRO 23 23 4029 1 . GLN 24 24 4029 1 . ASP 25 25 4029 1 . MET 26 26 4029 1 . THR 27 27 4029 1 . ASP 28 28 4029 1 . ARG 29 29 4029 1 . GLU 30 30 4029 1 . LEU 31 31 4029 1 . TYR 32 32 4029 1 . ALA 33 33 4029 1 . LEU 34 34 4029 1 . PHE 35 35 4029 1 . ARG 36 36 4029 1 . ALA 37 37 4029 1 . ILE 38 38 4029 1 . GLY 39 39 4029 1 . PRO 40 40 4029 1 . ILE 41 41 4029 1 . ASN 42 42 4029 1 . THR 43 43 4029 1 . CYS 44 44 4029 1 . ARG 45 45 4029 1 . ILE 46 46 4029 1 . MET 47 47 4029 1 . ARG 48 48 4029 1 . ASP 49 49 4029 1 . TYR 50 50 4029 1 . LYS 51 51 4029 1 . THR 52 52 4029 1 . GLY 53 53 4029 1 . TYR 54 54 4029 1 . SER 55 55 4029 1 . PHE 56 56 4029 1 . GLY 57 57 4029 1 . TYR 58 58 4029 1 . ALA 59 59 4029 1 . PHE 60 60 4029 1 . VAL 61 61 4029 1 . ASP 62 62 4029 1 . PHE 63 63 4029 1 . THR 64 64 4029 1 . SER 65 65 4029 1 . GLU 66 66 4029 1 . MET 67 67 4029 1 . ASP 68 68 4029 1 . SER 69 69 4029 1 . GLN 70 70 4029 1 . ARG 71 71 4029 1 . ALA 72 72 4029 1 . ILE 73 73 4029 1 . LYS 74 74 4029 1 . VAL 75 75 4029 1 . LEU 76 76 4029 1 . ASN 77 77 4029 1 . GLY 78 78 4029 1 . ILE 79 79 4029 1 . THR 80 80 4029 1 . VAL 81 81 4029 1 . ARG 82 82 4029 1 . ASN 83 83 4029 1 . LYS 84 84 4029 1 . ARG 85 85 4029 1 . LEU 86 86 4029 1 . LYS 87 87 4029 1 . VAL 88 88 4029 1 . SER 89 89 4029 1 . TYR 90 90 4029 1 . ALA 91 91 4029 1 . ARG 92 92 4029 1 . PRO 93 93 4029 1 . GLY 94 94 4029 1 . GLY 95 95 4029 1 . GLU 96 96 4029 1 . SER 97 97 4029 1 . ILE 98 98 4029 1 . LYS 99 99 4029 1 . ASP 100 100 4029 1 . THR 101 101 4029 1 . ASN 102 102 4029 1 . LEU 103 103 4029 1 . TYR 104 104 4029 1 . VAL 105 105 4029 1 . THR 106 106 4029 1 . ASN 107 107 4029 1 . LEU 108 108 4029 1 . PRO 109 109 4029 1 . ARG 110 110 4029 1 . THR 111 111 4029 1 . ILE 112 112 4029 1 . THR 113 113 4029 1 . ASP 114 114 4029 1 . ASP 115 115 4029 1 . GLN 116 116 4029 1 . LEU 117 117 4029 1 . ASP 118 118 4029 1 . THR 119 119 4029 1 . ILE 120 120 4029 1 . PHE 121 121 4029 1 . GLY 122 122 4029 1 . LYS 123 123 4029 1 . TYR 124 124 4029 1 . GLY 125 125 4029 1 . SER 126 126 4029 1 . ILE 127 127 4029 1 . VAL 128 128 4029 1 . GLN 129 129 4029 1 . LYS 130 130 4029 1 . ASN 131 131 4029 1 . ILE 132 132 4029 1 . LEU 133 133 4029 1 . ARG 134 134 4029 1 . ASP 135 135 4029 1 . LYS 136 136 4029 1 . LEU 137 137 4029 1 . THR 138 138 4029 1 . GLY 139 139 4029 1 . ARG 140 140 4029 1 . PRO 141 141 4029 1 . ARG 142 142 4029 1 . GLY 143 143 4029 1 . VAL 144 144 4029 1 . ALA 145 145 4029 1 . PHE 146 146 4029 1 . VAL 147 147 4029 1 . ARG 148 148 4029 1 . TYR 149 149 4029 1 . ASN 150 150 4029 1 . LYS 151 151 4029 1 . ARG 152 152 4029 1 . GLU 153 153 4029 1 . GLU 154 154 4029 1 . ALA 155 155 4029 1 . GLN 156 156 4029 1 . GLU 157 157 4029 1 . ALA 158 158 4029 1 . ILE 159 159 4029 1 . SER 160 160 4029 1 . ALA 161 161 4029 1 . LEU 162 162 4029 1 . ASN 163 163 4029 1 . ASN 164 164 4029 1 . VAL 165 165 4029 1 . ILE 166 166 4029 1 . PRO 167 167 4029 1 . GLU 168 168 4029 1 . GLY 169 169 4029 1 . GLY 170 170 4029 1 . SER 171 171 4029 1 . GLN 172 172 4029 1 . PRO 173 173 4029 1 . LEU 174 174 4029 1 . SER 175 175 4029 1 . VAL 176 176 4029 1 . ARG 177 177 4029 1 . LEU 178 178 4029 1 . ALA 179 179 4029 1 . GLU 180 180 4029 1 . GLU 181 181 4029 1 . HIS 182 182 4029 1 . GLY 183 183 4029 1 . LYS 184 184 4029 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 4029 _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 $Sxl-RBD1+2 . 7215 . . 'Drosophila melanogaster' fruitfly . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 4029 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 4029 _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 $Sxl-RBD1+2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 (DE3)/pLysS . . . . . . . . . . . plasmid . . pET-3b . . . native . . 4029 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4029 _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 'Sex-lethal protein' '[U-95% 13C; U-95% 15N]' . . 1 $Sxl-RBD1+2 . . . 0.5 1.0 mM . . . . 4029 1 2 H2O . . . . . . . 90 . . % . . . . 4029 1 3 D2O . . . . . . . 10 . . % . . . . 4029 1 4 NaCl . . . . . . . 30 . . mM . . . . 4029 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 4029 1 6 'sodium phosphate buffer' . . . . . . . 30 . . mM . . . . 4029 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4029 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'conditions for assignment of Sxl-RBD1+2 free protein resonances' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.30 0.02 na 4029 1 temperature 293 0.2 K 4029 1 stop_ save_ ############################# # Purity of the molecules # ############################# save_molecule_purity_list _Entity_purity_list.Sf_category molecule_purity _Entity_purity_list.Sf_framecode molecule_purity_list _Entity_purity_list.Entry_ID 4029 _Entity_purity_list.ID 1 _Entity_purity_list.Details . loop_ _Entity_purity.ID _Entity_purity.Sample_ID _Entity_purity.Sample_label _Entity_purity.Entity_ID _Entity_purity.Entity_label _Entity_purity.Val _Entity_purity.Val_units _Entity_purity.Measurement_method _Entity_purity.Details _Entity_purity.Entry_ID _Entity_purity.Entity_purity_list_ID 1 1 $sample_one 1 $Sxl-RBD1+2 95 percent 'SDS gel electrophoresis' . 4029 1 stop_ save_ ############################ # Computer software used # ############################ save_software_uxnmr _Software.Sf_category software _Software.Sf_framecode software_uxnmr _Software.Entry_ID 4029 _Software.ID 1 _Software.Name xwinnmr _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 4029 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data acquisition' 4029 1 stop_ save_ save_software_felix _Software.Sf_category software _Software.Sf_framecode software_felix _Software.Entry_ID 4029 _Software.ID 2 _Software.Name FELIX _Software.Version 2.30 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID biosym . . 4029 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'fourier transformation' 4029 2 'peak picking' 4029 2 'strip plotting' 4029 2 visualization 4029 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4029 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4029 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4029 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 4029 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4029 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'all shifts indirectly referenced to DSS 1H shift' 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 external indirect 0.2514495192 . . . . . . . . . 4029 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 4029 1 N 15 ammonia nitrogen . . . . ppm 0 external indirect 0.1013290513 . . . . . . . . . 4029 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4029 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 'backbone 1H, 15N and 13C resonance assignments of free Sxl RBD1+2' _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_one . 4029 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 2 2 GLY C C 13 174.14 0.15 . 1 . . . . . . . . 4029 1 2 . 1 1 3 3 SER H H 1 8.53 0.015 . 1 . . . . . . . . 4029 1 3 . 1 1 3 3 SER HA H 1 4.8 0.015 . 1 . . . . . . . . 4029 1 4 . 1 1 3 3 SER CA C 13 58.85 0.15 . 1 . . . . . . . . 4029 1 5 . 1 1 3 3 SER N N 15 116.38 0.2 . 1 . . . . . . . . 4029 1 6 . 1 1 4 4 ASP C C 13 176.06 0.15 . 1 . . . . . . . . 4029 1 7 . 1 1 5 5 ASP H H 1 8.1 0.015 . 1 . . . . . . . . 4029 1 8 . 1 1 5 5 ASP HA H 1 4.81 0.015 . 1 . . . . . . . . 4029 1 9 . 1 1 5 5 ASP C C 13 176.4 0.15 . 1 . . . . . . . . 4029 1 10 . 1 1 5 5 ASP CA C 13 54.5 0.15 . 1 . . . . . . . . 4029 1 11 . 1 1 5 5 ASP N N 15 119.9 0.2 . 1 . . . . . . . . 4029 1 12 . 1 1 6 6 LEU H H 1 8.09 0.015 . 1 . . . . . . . . 4029 1 13 . 1 1 6 6 LEU HA H 1 4.29 0.015 . 1 . . . . . . . . 4029 1 14 . 1 1 6 6 LEU C C 13 177.63 0.15 . 1 . . . . . . . . 4029 1 15 . 1 1 6 6 LEU CA C 13 55.54 0.15 . 1 . . . . . . . . 4029 1 16 . 1 1 6 6 LEU N N 15 121.27 0.2 . 1 . . . . . . . . 4029 1 17 . 1 1 7 7 MET H H 1 8.22 0.015 . 1 . . . . . . . . 4029 1 18 . 1 1 7 7 MET HA H 1 4.81 0.015 . 1 . . . . . . . . 4029 1 19 . 1 1 7 7 MET C C 13 175.9 0.15 . 1 . . . . . . . . 4029 1 20 . 1 1 7 7 MET CA C 13 55.4 0.15 . 1 . . . . . . . . 4029 1 21 . 1 1 7 7 MET N N 15 119.14 0.2 . 1 . . . . . . . . 4029 1 22 . 1 1 8 8 ASN H H 1 8.19 0.015 . 1 . . . . . . . . 4029 1 23 . 1 1 8 8 ASN HA H 1 4.72 0.015 . 1 . . . . . . . . 4029 1 24 . 1 1 8 8 ASN C C 13 176.43 0.15 . 1 . . . . . . . . 4029 1 25 . 1 1 8 8 ASN CA C 13 52.83 0.15 . 1 . . . . . . . . 4029 1 26 . 1 1 8 8 ASN N N 15 118.72 0.2 . 1 . . . . . . . . 4029 1 27 . 1 1 9 9 ASP H H 1 8.19 0.015 . 1 . . . . . . . . 4029 1 28 . 1 1 9 9 ASP HA H 1 4.82 0.015 . 1 . . . . . . . . 4029 1 29 . 1 1 9 9 ASP C C 13 177.2 0.15 . 1 . . . . . . . . 4029 1 30 . 1 1 9 9 ASP CA C 13 51.62 0.15 . 1 . . . . . . . . 4029 1 31 . 1 1 9 9 ASP N N 15 121.8 0.2 . 1 . . . . . . . . 4029 1 32 . 1 1 10 10 PRO HA H 1 4.45 0.015 . 1 . . . . . . . . 4029 1 33 . 1 1 10 10 PRO C C 13 177.21 0.15 . 1 . . . . . . . . 4029 1 34 . 1 1 10 10 PRO CA C 13 63.4 0.15 . 1 . . . . . . . . 4029 1 35 . 1 1 11 11 ARG H H 1 8.37 0.015 . 1 . . . . . . . . 4029 1 36 . 1 1 11 11 ARG HA H 1 4.78 0.015 . 1 . . . . . . . . 4029 1 37 . 1 1 11 11 ARG C C 13 176.3 0.15 . 1 . . . . . . . . 4029 1 38 . 1 1 11 11 ARG CA C 13 55.9 0.15 . 1 . . . . . . . . 4029 1 39 . 1 1 11 11 ARG N N 15 119.00 0.2 . 1 . . . . . . . . 4029 1 40 . 1 1 12 12 ALA H H 1 7.99 0.015 . 1 . . . . . . . . 4029 1 41 . 1 1 12 12 ALA HA H 1 4.32 0.015 . 1 . . . . . . . . 4029 1 42 . 1 1 12 12 ALA C C 13 177.4 0.15 . 1 . . . . . . . . 4029 1 43 . 1 1 12 12 ALA CA C 13 52.17 0.15 . 1 . . . . . . . . 4029 1 44 . 1 1 12 12 ALA N N 15 123.68 0.2 . 1 . . . . . . . . 4029 1 45 . 1 1 13 13 SER H H 1 8.21 0.015 . 1 . . . . . . . . 4029 1 46 . 1 1 13 13 SER HA H 1 4.38 0.015 . 1 . . . . . . . . 4029 1 47 . 1 1 13 13 SER C C 13 174.67 0.15 . 1 . . . . . . . . 4029 1 48 . 1 1 13 13 SER CA C 13 57.9 0.15 . 1 . . . . . . . . 4029 1 49 . 1 1 13 13 SER N N 15 114.52 0.2 . 1 . . . . . . . . 4029 1 50 . 1 1 14 14 ASN H H 1 8.77 0.015 . 1 . . . . . . . . 4029 1 51 . 1 1 14 14 ASN HA H 1 4.89 0.015 . 1 . . . . . . . . 4029 1 52 . 1 1 14 14 ASN C C 13 175.32 0.15 . 1 . . . . . . . . 4029 1 53 . 1 1 14 14 ASN CA C 13 53.2 0.15 . 1 . . . . . . . . 4029 1 54 . 1 1 14 14 ASN N N 15 121.85 0.2 . 1 . . . . . . . . 4029 1 55 . 1 1 15 15 THR H H 1 8.23 0.015 . 1 . . . . . . . . 4029 1 56 . 1 1 15 15 THR HA H 1 4.58 0.015 . 1 . . . . . . . . 4029 1 57 . 1 1 15 15 THR CA C 13 62.39 0.15 . 1 . . . . . . . . 4029 1 58 . 1 1 15 15 THR N N 15 110.03 0.2 . 1 . . . . . . . . 4029 1 59 . 1 1 16 16 ASN H H 1 8.02 0.015 . 1 . . . . . . . . 4029 1 60 . 1 1 16 16 ASN HA H 1 4.71 0.015 . 1 . . . . . . . . 4029 1 61 . 1 1 16 16 ASN N N 15 121.75 0.2 . 1 . . . . . . . . 4029 1 62 . 1 1 17 17 LEU H H 1 8.49 0.015 . 1 . . . . . . . . 4029 1 63 . 1 1 17 17 LEU C C 13 176.21 0.15 . 1 . . . . . . . . 4029 1 64 . 1 1 17 17 LEU N N 15 128.21 0.2 . 1 . . . . . . . . 4029 1 65 . 1 1 18 18 ILE H H 1 9.21 0.015 . 1 . . . . . . . . 4029 1 66 . 1 1 18 18 ILE HA H 1 5.19 0.015 . 1 . . . . . . . . 4029 1 67 . 1 1 18 18 ILE C C 13 173.85 0.15 . 1 . . . . . . . . 4029 1 68 . 1 1 18 18 ILE CA C 13 58.5 0.15 . 1 . . . . . . . . 4029 1 69 . 1 1 18 18 ILE N N 15 119.67 0.2 . 1 . . . . . . . . 4029 1 70 . 1 1 19 19 VAL H H 1 8.84 0.015 . 1 . . . . . . . . 4029 1 71 . 1 1 19 19 VAL HA H 1 5.06 0.015 . 1 . . . . . . . . 4029 1 72 . 1 1 19 19 VAL C C 13 174.71 0.15 . 1 . . . . . . . . 4029 1 73 . 1 1 19 19 VAL CA C 13 59.59 0.15 . 1 . . . . . . . . 4029 1 74 . 1 1 19 19 VAL N N 15 128.62 0.2 . 1 . . . . . . . . 4029 1 75 . 1 1 20 20 ASN H H 1 9.36 0.015 . 1 . . . . . . . . 4029 1 76 . 1 1 20 20 ASN HA H 1 5.1 0.015 . 1 . . . . . . . . 4029 1 77 . 1 1 20 20 ASN C C 13 173.34 0.15 . 1 . . . . . . . . 4029 1 78 . 1 1 20 20 ASN CA C 13 51.4 0.15 . 1 . . . . . . . . 4029 1 79 . 1 1 20 20 ASN N N 15 124.29 0.2 . 1 . . . . . . . . 4029 1 80 . 1 1 21 21 TYR H H 1 8.5 0.015 . 1 . . . . . . . . 4029 1 81 . 1 1 21 21 TYR HA H 1 4.37 0.015 . 1 . . . . . . . . 4029 1 82 . 1 1 21 21 TYR CA C 13 57.2 0.15 . 1 . . . . . . . . 4029 1 83 . 1 1 21 21 TYR N N 15 113.3 0.2 . 1 . . . . . . . . 4029 1 84 . 1 1 22 22 LEU H H 1 7.49 0.015 . 1 . . . . . . . . 4029 1 85 . 1 1 22 22 LEU HA H 1 4.79 0.015 . 1 . . . . . . . . 4029 1 86 . 1 1 22 22 LEU CA C 13 52.9 0.15 . 1 . . . . . . . . 4029 1 87 . 1 1 22 22 LEU N N 15 112.7 0.2 . 1 . . . . . . . . 4029 1 88 . 1 1 27 27 THR H H 1 8.11 0.015 . 1 . . . . . . . . 4029 1 89 . 1 1 27 27 THR HA H 1 4.51 0.015 . 1 . . . . . . . . 4029 1 90 . 1 1 27 27 THR C C 13 174.97 0.15 . 1 . . . . . . . . 4029 1 91 . 1 1 27 27 THR CA C 13 60.17 0.15 . 1 . . . . . . . . 4029 1 92 . 1 1 27 27 THR N N 15 117.71 0.2 . 1 . . . . . . . . 4029 1 93 . 1 1 28 28 ASP H H 1 8.97 0.015 . 1 . . . . . . . . 4029 1 94 . 1 1 28 28 ASP HA H 1 4.16 0.015 . 1 . . . . . . . . 4029 1 95 . 1 1 28 28 ASP C C 13 178.63 0.15 . 1 . . . . . . . . 4029 1 96 . 1 1 28 28 ASP CA C 13 58.27 0.15 . 1 . . . . . . . . 4029 1 97 . 1 1 28 28 ASP N N 15 121.69 0.2 . 1 . . . . . . . . 4029 1 98 . 1 1 29 29 ARG H H 1 8.3 0.015 . 1 . . . . . . . . 4029 1 99 . 1 1 29 29 ARG HA H 1 4.81 0.015 . 1 . . . . . . . . 4029 1 100 . 1 1 29 29 ARG C C 13 174.72 0.15 . 1 . . . . . . . . 4029 1 101 . 1 1 29 29 ARG CA C 13 58.7 0.15 . 1 . . . . . . . . 4029 1 102 . 1 1 29 29 ARG N N 15 117.9 0.2 . 1 . . . . . . . . 4029 1 103 . 1 1 32 32 TYR C C 13 176.73 0.15 . 1 . . . . . . . . 4029 1 104 . 1 1 32 32 TYR CA C 13 62.46 0.15 . 1 . . . . . . . . 4029 1 105 . 1 1 33 33 ALA H H 1 8.04 0.015 . 1 . . . . . . . . 4029 1 106 . 1 1 33 33 ALA HA H 1 3.89 0.015 . 1 . . . . . . . . 4029 1 107 . 1 1 33 33 ALA C C 13 180.62 0.15 . 1 . . . . . . . . 4029 1 108 . 1 1 33 33 ALA CA C 13 54.96 0.15 . 1 . . . . . . . . 4029 1 109 . 1 1 33 33 ALA N N 15 118.73 0.2 . 1 . . . . . . . . 4029 1 110 . 1 1 34 34 LEU H H 1 7.58 0.015 . 1 . . . . . . . . 4029 1 111 . 1 1 34 34 LEU HA H 1 4.11 0.015 . 1 . . . . . . . . 4029 1 112 . 1 1 34 34 LEU C C 13 177.81 0.15 . 1 . . . . . . . . 4029 1 113 . 1 1 34 34 LEU CA C 13 57.5 0.15 . 1 . . . . . . . . 4029 1 114 . 1 1 34 34 LEU N N 15 117.92 0.2 . 1 . . . . . . . . 4029 1 115 . 1 1 35 35 PHE H H 1 7.75 0.015 . 1 . . . . . . . . 4029 1 116 . 1 1 35 35 PHE HA H 1 4.14 0.015 . 1 . . . . . . . . 4029 1 117 . 1 1 35 35 PHE C C 13 178.06 0.15 . 1 . . . . . . . . 4029 1 118 . 1 1 35 35 PHE CA C 13 61.46 0.15 . 1 . . . . . . . . 4029 1 119 . 1 1 35 35 PHE N N 15 114.75 0.2 . 1 . . . . . . . . 4029 1 120 . 1 1 36 36 ARG H H 1 9.5 0.015 . 1 . . . . . . . . 4029 1 121 . 1 1 36 36 ARG HA H 1 4.42 0.015 . 1 . . . . . . . . 4029 1 122 . 1 1 36 36 ARG C C 13 176.74 0.15 . 1 . . . . . . . . 4029 1 123 . 1 1 36 36 ARG CA C 13 54.92 0.15 . 1 . . . . . . . . 4029 1 124 . 1 1 36 36 ARG N N 15 122.68 0.2 . 1 . . . . . . . . 4029 1 125 . 1 1 37 37 ALA H H 1 6.78 0.015 . 1 . . . . . . . . 4029 1 126 . 1 1 37 37 ALA HA H 1 4.04 0.015 . 1 . . . . . . . . 4029 1 127 . 1 1 37 37 ALA C C 13 179.1 0.15 . 1 . . . . . . . . 4029 1 128 . 1 1 37 37 ALA CA C 13 53.76 0.15 . 1 . . . . . . . . 4029 1 129 . 1 1 37 37 ALA N N 15 117.97 0.2 . 1 . . . . . . . . 4029 1 130 . 1 1 38 38 ILE H H 1 7.89 0.015 . 1 . . . . . . . . 4029 1 131 . 1 1 38 38 ILE HA H 1 3.89 0.015 . 1 . . . . . . . . 4029 1 132 . 1 1 38 38 ILE C C 13 176.03 0.15 . 1 . . . . . . . . 4029 1 133 . 1 1 38 38 ILE CA C 13 60.88 0.15 . 1 . . . . . . . . 4029 1 134 . 1 1 38 38 ILE N N 15 116.24 0.2 . 1 . . . . . . . . 4029 1 135 . 1 1 39 39 GLY H H 1 7.27 0.015 . 1 . . . . . . . . 4029 1 136 . 1 1 39 39 GLY HA2 H 1 4.35 0.015 . 1 . . . . . . . . 4029 1 137 . 1 1 39 39 GLY HA3 H 1 4.35 0.015 . 1 . . . . . . . . 4029 1 138 . 1 1 39 39 GLY CA C 13 45.23 0.15 . 1 . . . . . . . . 4029 1 139 . 1 1 39 39 GLY N N 15 105.84 0.2 . 1 . . . . . . . . 4029 1 140 . 1 1 40 40 PRO C C 13 176.00 0.15 . 1 . . . . . . . . 4029 1 141 . 1 1 40 40 PRO CA C 13 63.58 0.15 . 1 . . . . . . . . 4029 1 142 . 1 1 41 41 ILE H H 1 8.27 0.015 . 1 . . . . . . . . 4029 1 143 . 1 1 41 41 ILE HA H 1 4.03 0.015 . 1 . . . . . . . . 4029 1 144 . 1 1 41 41 ILE C C 13 175.69 0.15 . 1 . . . . . . . . 4029 1 145 . 1 1 41 41 ILE CA C 13 60.4 0.15 . 1 . . . . . . . . 4029 1 146 . 1 1 41 41 ILE N N 15 123.4 0.2 . 1 . . . . . . . . 4029 1 147 . 1 1 42 42 ASN H H 1 9.07 0.015 . 1 . . . . . . . . 4029 1 148 . 1 1 42 42 ASN HA H 1 4.75 0.015 . 1 . . . . . . . . 4029 1 149 . 1 1 42 42 ASN C C 13 174.87 0.15 . 1 . . . . . . . . 4029 1 150 . 1 1 42 42 ASN CA C 13 54.4 0.15 . 1 . . . . . . . . 4029 1 151 . 1 1 42 42 ASN N N 15 124.61 0.2 . 1 . . . . . . . . 4029 1 152 . 1 1 43 43 THR H H 1 7.34 0.015 . 1 . . . . . . . . 4029 1 153 . 1 1 43 43 THR HA H 1 4.56 0.015 . 1 . . . . . . . . 4029 1 154 . 1 1 43 43 THR C C 13 172.02 0.15 . 1 . . . . . . . . 4029 1 155 . 1 1 43 43 THR CA C 13 60.52 0.15 . 1 . . . . . . . . 4029 1 156 . 1 1 43 43 THR N N 15 109.87 0.2 . 1 . . . . . . . . 4029 1 157 . 1 1 44 44 CYS H H 1 8.7 0.015 . 1 . . . . . . . . 4029 1 158 . 1 1 44 44 CYS HA H 1 4.86 0.015 . 1 . . . . . . . . 4029 1 159 . 1 1 44 44 CYS C C 13 172.12 0.15 . 1 . . . . . . . . 4029 1 160 . 1 1 44 44 CYS CA C 13 57.92 0.15 . 1 . . . . . . . . 4029 1 161 . 1 1 44 44 CYS N N 15 123.84 0.2 . 1 . . . . . . . . 4029 1 162 . 1 1 45 45 ARG H H 1 8.72 0.015 . 1 . . . . . . . . 4029 1 163 . 1 1 45 45 ARG HA H 1 4.77 0.015 . 1 . . . . . . . . 4029 1 164 . 1 1 45 45 ARG CA C 13 55.36 0.15 . 1 . . . . . . . . 4029 1 165 . 1 1 45 45 ARG N N 15 125.53 0.2 . 1 . . . . . . . . 4029 1 166 . 1 1 49 49 ASP C C 13 177.79 0.15 . 1 . . . . . . . . 4029 1 167 . 1 1 50 50 TYR H H 1 8.87 0.015 . 1 . . . . . . . . 4029 1 168 . 1 1 50 50 TYR HA H 1 5.05 0.015 . 1 . . . . . . . . 4029 1 169 . 1 1 50 50 TYR C C 13 176.81 0.15 . 1 . . . . . . . . 4029 1 170 . 1 1 50 50 TYR CA C 13 60.68 0.15 . 1 . . . . . . . . 4029 1 171 . 1 1 50 50 TYR N N 15 128.48 0.2 . 1 . . . . . . . . 4029 1 172 . 1 1 51 51 LYS H H 1 8.29 0.015 . 1 . . . . . . . . 4029 1 173 . 1 1 51 51 LYS HA H 1 4.78 0.015 . 1 . . . . . . . . 4029 1 174 . 1 1 51 51 LYS C C 13 178.45 0.15 . 1 . . . . . . . . 4029 1 175 . 1 1 51 51 LYS CA C 13 58.62 0.15 . 1 . . . . . . . . 4029 1 176 . 1 1 51 51 LYS N N 15 118.46 0.2 . 1 . . . . . . . . 4029 1 177 . 1 1 52 52 THR H H 1 7.71 0.015 . 1 . . . . . . . . 4029 1 178 . 1 1 52 52 THR HA H 1 4.3 0.015 . 1 . . . . . . . . 4029 1 179 . 1 1 52 52 THR CA C 13 61.82 0.15 . 1 . . . . . . . . 4029 1 180 . 1 1 52 52 THR N N 15 105.63 0.2 . 1 . . . . . . . . 4029 1 181 . 1 1 53 53 GLY H H 1 7.96 0.015 . 1 . . . . . . . . 4029 1 182 . 1 1 53 53 GLY C C 13 173.83 0.15 . 1 . . . . . . . . 4029 1 183 . 1 1 53 53 GLY N N 15 112.54 0.2 . 1 . . . . . . . . 4029 1 184 . 1 1 54 54 TYR H H 1 7.77 0.015 . 1 . . . . . . . . 4029 1 185 . 1 1 54 54 TYR HA H 1 4.32 0.015 . 1 . . . . . . . . 4029 1 186 . 1 1 54 54 TYR CA C 13 57.46 0.15 . 1 . . . . . . . . 4029 1 187 . 1 1 54 54 TYR N N 15 121.75 0.2 . 1 . . . . . . . . 4029 1 188 . 1 1 56 56 PHE C C 13 177.72 0.15 . 1 . . . . . . . . 4029 1 189 . 1 1 57 57 GLY H H 1 9.14 0.015 . 1 . . . . . . . . 4029 1 190 . 1 1 57 57 GLY HA2 H 1 3.46 0.015 . 1 . . . . . . . . 4029 1 191 . 1 1 57 57 GLY HA3 H 1 3.46 0.015 . 1 . . . . . . . . 4029 1 192 . 1 1 57 57 GLY C C 13 171.91 0.15 . 1 . . . . . . . . 4029 1 193 . 1 1 57 57 GLY CA C 13 45.71 0.15 . 1 . . . . . . . . 4029 1 194 . 1 1 57 57 GLY N N 15 106.39 0.2 . 1 . . . . . . . . 4029 1 195 . 1 1 58 58 TYR H H 1 7.15 0.015 . 1 . . . . . . . . 4029 1 196 . 1 1 58 58 TYR HA H 1 5.48 0.015 . 1 . . . . . . . . 4029 1 197 . 1 1 58 58 TYR C C 13 171.7 0.15 . 1 . . . . . . . . 4029 1 198 . 1 1 58 58 TYR CA C 13 54.65 0.15 . 1 . . . . . . . . 4029 1 199 . 1 1 58 58 TYR N N 15 112.45 0.2 . 1 . . . . . . . . 4029 1 200 . 1 1 59 59 ALA H H 1 8.86 0.015 . 1 . . . . . . . . 4029 1 201 . 1 1 59 59 ALA HA H 1 4.82 0.015 . 1 . . . . . . . . 4029 1 202 . 1 1 59 59 ALA C C 13 174.43 0.15 . 1 . . . . . . . . 4029 1 203 . 1 1 59 59 ALA CA C 13 49.53 0.15 . 1 . . . . . . . . 4029 1 204 . 1 1 59 59 ALA N N 15 120.41 0.2 . 1 . . . . . . . . 4029 1 205 . 1 1 60 60 PHE H H 1 8.16 0.015 . 1 . . . . . . . . 4029 1 206 . 1 1 60 60 PHE HA H 1 5.78 0.015 . 1 . . . . . . . . 4029 1 207 . 1 1 60 60 PHE C C 13 175.69 0.15 . 1 . . . . . . . . 4029 1 208 . 1 1 60 60 PHE CA C 13 56.27 0.15 . 1 . . . . . . . . 4029 1 209 . 1 1 60 60 PHE N N 15 115.32 0.2 . 1 . . . . . . . . 4029 1 210 . 1 1 61 61 VAL H H 1 8.76 0.015 . 1 . . . . . . . . 4029 1 211 . 1 1 61 61 VAL HA H 1 4.34 0.015 . 1 . . . . . . . . 4029 1 212 . 1 1 61 61 VAL CA C 13 61.57 0.15 . 1 . . . . . . . . 4029 1 213 . 1 1 61 61 VAL N N 15 122.96 0.2 . 1 . . . . . . . . 4029 1 214 . 1 1 63 63 PHE C C 13 174.4 0.15 . 1 . . . . . . . . 4029 1 215 . 1 1 64 64 THR H H 1 8.14 0.015 . 1 . . . . . . . . 4029 1 216 . 1 1 64 64 THR HA H 1 4.14 0.015 . 1 . . . . . . . . 4029 1 217 . 1 1 64 64 THR C C 13 174.86 0.15 . 1 . . . . . . . . 4029 1 218 . 1 1 64 64 THR CA C 13 65.2 0.15 . 1 . . . . . . . . 4029 1 219 . 1 1 64 64 THR N N 15 111.95 0.2 . 1 . . . . . . . . 4029 1 220 . 1 1 65 65 SER H H 1 8.75 0.015 . 1 . . . . . . . . 4029 1 221 . 1 1 65 65 SER HA H 1 4.94 0.015 . 1 . . . . . . . . 4029 1 222 . 1 1 65 65 SER C C 13 175.63 0.15 . 1 . . . . . . . . 4029 1 223 . 1 1 65 65 SER CA C 13 55.64 0.15 . 1 . . . . . . . . 4029 1 224 . 1 1 65 65 SER N N 15 114.00 0.2 . 1 . . . . . . . . 4029 1 225 . 1 1 66 66 GLU H H 1 9.47 0.015 . 1 . . . . . . . . 4029 1 226 . 1 1 66 66 GLU HA H 1 4.77 0.015 . 1 . . . . . . . . 4029 1 227 . 1 1 66 66 GLU C C 13 178.52 0.15 . 1 . . . . . . . . 4029 1 228 . 1 1 66 66 GLU CA C 13 58.6 0.15 . 1 . . . . . . . . 4029 1 229 . 1 1 66 66 GLU N N 15 128.08 0.2 . 1 . . . . . . . . 4029 1 230 . 1 1 67 67 MET H H 1 8.3 0.015 . 1 . . . . . . . . 4029 1 231 . 1 1 67 67 MET HA H 1 4.27 0.015 . 1 . . . . . . . . 4029 1 232 . 1 1 67 67 MET C C 13 178.93 0.15 . 1 . . . . . . . . 4029 1 233 . 1 1 67 67 MET CA C 13 58.1 0.15 . 1 . . . . . . . . 4029 1 234 . 1 1 67 67 MET N N 15 119.03 0.2 . 1 . . . . . . . . 4029 1 235 . 1 1 68 68 ASP H H 1 7.26 0.015 . 1 . . . . . . . . 4029 1 236 . 1 1 68 68 ASP HA H 1 4.33 0.015 . 1 . . . . . . . . 4029 1 237 . 1 1 68 68 ASP C C 13 176.8 0.15 . 1 . . . . . . . . 4029 1 238 . 1 1 68 68 ASP CA C 13 56.64 0.15 . 1 . . . . . . . . 4029 1 239 . 1 1 68 68 ASP N N 15 120.29 0.2 . 1 . . . . . . . . 4029 1 240 . 1 1 69 69 SER H H 1 7.67 0.015 . 1 . . . . . . . . 4029 1 241 . 1 1 69 69 SER HA H 1 3.88 0.015 . 1 . . . . . . . . 4029 1 242 . 1 1 69 69 SER CA C 13 62.37 0.15 . 1 . . . . . . . . 4029 1 243 . 1 1 69 69 SER N N 15 116.3 0.2 . 1 . . . . . . . . 4029 1 244 . 1 1 70 70 GLN C C 13 175.6 0.15 . 1 . . . . . . . . 4029 1 245 . 1 1 71 71 ARG H H 1 7.57 0.015 . 1 . . . . . . . . 4029 1 246 . 1 1 71 71 ARG HA H 1 4.00 0.015 . 1 . . . . . . . . 4029 1 247 . 1 1 71 71 ARG C C 13 177.34 0.15 . 1 . . . . . . . . 4029 1 248 . 1 1 71 71 ARG CA C 13 59.13 0.15 . 1 . . . . . . . . 4029 1 249 . 1 1 71 71 ARG N N 15 119.2 0.2 . 1 . . . . . . . . 4029 1 250 . 1 1 72 72 ALA H H 1 8.39 0.015 . 1 . . . . . . . . 4029 1 251 . 1 1 72 72 ALA HA H 1 3.76 0.015 . 1 . . . . . . . . 4029 1 252 . 1 1 72 72 ALA C C 13 179.57 0.15 . 1 . . . . . . . . 4029 1 253 . 1 1 72 72 ALA CA C 13 55.38 0.15 . 1 . . . . . . . . 4029 1 254 . 1 1 72 72 ALA N N 15 120.5 0.2 . 1 . . . . . . . . 4029 1 255 . 1 1 73 73 ILE H H 1 7.47 0.015 . 1 . . . . . . . . 4029 1 256 . 1 1 73 73 ILE HA H 1 3.34 0.015 . 1 . . . . . . . . 4029 1 257 . 1 1 73 73 ILE C C 13 177.84 0.15 . 1 . . . . . . . . 4029 1 258 . 1 1 73 73 ILE CA C 13 66.43 0.15 . 1 . . . . . . . . 4029 1 259 . 1 1 73 73 ILE N N 15 116.58 0.2 . 1 . . . . . . . . 4029 1 260 . 1 1 74 74 LYS H H 1 7.34 0.015 . 1 . . . . . . . . 4029 1 261 . 1 1 74 74 LYS HA H 1 4.04 0.015 . 1 . . . . . . . . 4029 1 262 . 1 1 74 74 LYS C C 13 178.97 0.15 . 1 . . . . . . . . 4029 1 263 . 1 1 74 74 LYS CA C 13 59.42 0.15 . 1 . . . . . . . . 4029 1 264 . 1 1 74 74 LYS N N 15 117.67 0.2 . 1 . . . . . . . . 4029 1 265 . 1 1 75 75 VAL H H 1 8.42 0.015 . 1 . . . . . . . . 4029 1 266 . 1 1 75 75 VAL HA H 1 3.92 0.015 . 1 . . . . . . . . 4029 1 267 . 1 1 75 75 VAL C C 13 177.9 0.15 . 1 . . . . . . . . 4029 1 268 . 1 1 75 75 VAL N N 15 115.13 0.2 . 1 . . . . . . . . 4029 1 269 . 1 1 76 76 LEU H H 1 8.43 0.015 . 1 . . . . . . . . 4029 1 270 . 1 1 76 76 LEU HA H 1 4.47 0.015 . 1 . . . . . . . . 4029 1 271 . 1 1 76 76 LEU C C 13 177.44 0.15 . 1 . . . . . . . . 4029 1 272 . 1 1 76 76 LEU CA C 13 54.95 0.15 . 1 . . . . . . . . 4029 1 273 . 1 1 76 76 LEU N N 15 116.75 0.2 . 1 . . . . . . . . 4029 1 274 . 1 1 77 77 ASN H H 1 7.56 0.015 . 1 . . . . . . . . 4029 1 275 . 1 1 77 77 ASN HA H 1 4.41 0.015 . 1 . . . . . . . . 4029 1 276 . 1 1 77 77 ASN C C 13 176.99 0.15 . 1 . . . . . . . . 4029 1 277 . 1 1 77 77 ASN CA C 13 56.42 0.15 . 1 . . . . . . . . 4029 1 278 . 1 1 77 77 ASN N N 15 114.99 0.2 . 1 . . . . . . . . 4029 1 279 . 1 1 78 78 GLY H H 1 8.68 0.015 . 1 . . . . . . . . 4029 1 280 . 1 1 78 78 GLY HA2 H 1 4.27 0.015 . 1 . . . . . . . . 4029 1 281 . 1 1 78 78 GLY HA3 H 1 4.27 0.015 . 1 . . . . . . . . 4029 1 282 . 1 1 78 78 GLY C C 13 174.12 0.15 . 1 . . . . . . . . 4029 1 283 . 1 1 78 78 GLY CA C 13 45.49 0.15 . 1 . . . . . . . . 4029 1 284 . 1 1 78 78 GLY N N 15 116.45 0.2 . 1 . . . . . . . . 4029 1 285 . 1 1 79 79 ILE H H 1 7.66 0.015 . 1 . . . . . . . . 4029 1 286 . 1 1 79 79 ILE HA H 1 4.23 0.015 . 1 . . . . . . . . 4029 1 287 . 1 1 79 79 ILE C C 13 175.93 0.15 . 1 . . . . . . . . 4029 1 288 . 1 1 79 79 ILE CA C 13 61.79 0.15 . 1 . . . . . . . . 4029 1 289 . 1 1 79 79 ILE N N 15 119.45 0.2 . 1 . . . . . . . . 4029 1 290 . 1 1 80 80 THR H H 1 8.12 0.015 . 1 . . . . . . . . 4029 1 291 . 1 1 80 80 THR HA H 1 5.29 0.015 . 1 . . . . . . . . 4029 1 292 . 1 1 80 80 THR C C 13 175.3 0.15 . 1 . . . . . . . . 4029 1 293 . 1 1 80 80 THR N N 15 118.77 0.2 . 1 . . . . . . . . 4029 1 294 . 1 1 81 81 VAL H H 1 9.06 0.015 . 1 . . . . . . . . 4029 1 295 . 1 1 81 81 VAL HA H 1 4.09 0.015 . 1 . . . . . . . . 4029 1 296 . 1 1 81 81 VAL C C 13 174.21 0.15 . 1 . . . . . . . . 4029 1 297 . 1 1 81 81 VAL CA C 13 61.51 0.15 . 1 . . . . . . . . 4029 1 298 . 1 1 81 81 VAL N N 15 127.6 0.2 . 1 . . . . . . . . 4029 1 299 . 1 1 82 82 ARG H H 1 9.26 0.015 . 1 . . . . . . . . 4029 1 300 . 1 1 82 82 ARG HA H 1 3.73 0.015 . 1 . . . . . . . . 4029 1 301 . 1 1 82 82 ARG C C 13 175.39 0.15 . 1 . . . . . . . . 4029 1 302 . 1 1 82 82 ARG CA C 13 58.5 0.15 . 1 . . . . . . . . 4029 1 303 . 1 1 82 82 ARG N N 15 124.5 0.2 . 1 . . . . . . . . 4029 1 304 . 1 1 83 83 ASN H H 1 8.00 0.015 . 1 . . . . . . . . 4029 1 305 . 1 1 83 83 ASN HA H 1 4.58 0.015 . 1 . . . . . . . . 4029 1 306 . 1 1 83 83 ASN C C 13 176.59 0.15 . 1 . . . . . . . . 4029 1 307 . 1 1 83 83 ASN CA C 13 52.03 0.15 . 1 . . . . . . . . 4029 1 308 . 1 1 83 83 ASN N N 15 113.42 0.2 . 1 . . . . . . . . 4029 1 309 . 1 1 84 84 LYS H H 1 7.32 0.015 . 1 . . . . . . . . 4029 1 310 . 1 1 84 84 LYS HA H 1 4.25 0.015 . 1 . . . . . . . . 4029 1 311 . 1 1 84 84 LYS CA C 13 56.54 0.15 . 1 . . . . . . . . 4029 1 312 . 1 1 84 84 LYS N N 15 119.97 0.2 . 1 . . . . . . . . 4029 1 313 . 1 1 87 87 LYS C C 13 174.24 0.15 . 1 . . . . . . . . 4029 1 314 . 1 1 88 88 VAL H H 1 8.69 0.015 . 1 . . . . . . . . 4029 1 315 . 1 1 88 88 VAL HA H 1 4.82 0.015 . 1 . . . . . . . . 4029 1 316 . 1 1 88 88 VAL C C 13 173.7 0.15 . 1 . . . . . . . . 4029 1 317 . 1 1 88 88 VAL CA C 13 62.01 0.15 . 1 . . . . . . . . 4029 1 318 . 1 1 88 88 VAL N N 15 126.15 0.2 . 1 . . . . . . . . 4029 1 319 . 1 1 89 89 SER H H 1 8.62 0.015 . 1 . . . . . . . . 4029 1 320 . 1 1 89 89 SER HA H 1 4.63 0.015 . 1 . . . . . . . . 4029 1 321 . 1 1 89 89 SER C C 13 172.75 0.15 . 1 . . . . . . . . 4029 1 322 . 1 1 89 89 SER CA C 13 56.4 0.15 . 1 . . . . . . . . 4029 1 323 . 1 1 89 89 SER N N 15 118.87 0.2 . 1 . . . . . . . . 4029 1 324 . 1 1 90 90 TYR H H 1 8.42 0.015 . 1 . . . . . . . . 4029 1 325 . 1 1 90 90 TYR HA H 1 4.75 0.015 . 1 . . . . . . . . 4029 1 326 . 1 1 90 90 TYR C C 13 177.16 0.15 . 1 . . . . . . . . 4029 1 327 . 1 1 90 90 TYR CA C 13 60.8 0.15 . 1 . . . . . . . . 4029 1 328 . 1 1 90 90 TYR N N 15 119.19 0.2 . 1 . . . . . . . . 4029 1 329 . 1 1 91 91 ALA H H 1 8.89 0.015 . 1 . . . . . . . . 4029 1 330 . 1 1 91 91 ALA HA H 1 5.21 0.015 . 1 . . . . . . . . 4029 1 331 . 1 1 91 91 ALA CA C 13 52.84 0.15 . 1 . . . . . . . . 4029 1 332 . 1 1 91 91 ALA N N 15 125.66 0.2 . 1 . . . . . . . . 4029 1 333 . 1 1 92 92 ARG C C 13 177.6 0.15 . 1 . . . . . . . . 4029 1 334 . 1 1 93 93 PRO HA H 1 4.45 0.015 . 1 . . . . . . . . 4029 1 335 . 1 1 93 93 PRO C C 13 177.6 0.15 . 1 . . . . . . . . 4029 1 336 . 1 1 93 93 PRO CA C 13 63.3 0.15 . 1 . . . . . . . . 4029 1 337 . 1 1 94 94 GLY H H 1 8.59 0.015 . 1 . . . . . . . . 4029 1 338 . 1 1 94 94 GLY HA2 H 1 4.77 0.015 . 1 . . . . . . . . 4029 1 339 . 1 1 94 94 GLY HA3 H 1 4.77 0.015 . 1 . . . . . . . . 4029 1 340 . 1 1 94 94 GLY C C 13 174.85 0.15 . 1 . . . . . . . . 4029 1 341 . 1 1 94 94 GLY CA C 13 45.07 0.15 . 1 . . . . . . . . 4029 1 342 . 1 1 94 94 GLY N N 15 109.64 0.2 . 1 . . . . . . . . 4029 1 343 . 1 1 95 95 GLY H H 1 8.32 0.015 . 1 . . . . . . . . 4029 1 344 . 1 1 95 95 GLY HA2 H 1 4.8 0.015 . 1 . . . . . . . . 4029 1 345 . 1 1 95 95 GLY HA3 H 1 4.8 0.015 . 1 . . . . . . . . 4029 1 346 . 1 1 95 95 GLY C C 13 174.46 0.15 . 1 . . . . . . . . 4029 1 347 . 1 1 95 95 GLY CA C 13 45.00 0.15 . 1 . . . . . . . . 4029 1 348 . 1 1 95 95 GLY N N 15 108.71 0.2 . 1 . . . . . . . . 4029 1 349 . 1 1 96 96 GLU H H 1 8.48 0.015 . 1 . . . . . . . . 4029 1 350 . 1 1 96 96 GLU HA H 1 4.28 0.015 . 1 . . . . . . . . 4029 1 351 . 1 1 96 96 GLU C C 13 176.79 0.15 . 1 . . . . . . . . 4029 1 352 . 1 1 96 96 GLU CA C 13 56.79 0.15 . 1 . . . . . . . . 4029 1 353 . 1 1 96 96 GLU N N 15 120.48 0.2 . 1 . . . . . . . . 4029 1 354 . 1 1 97 97 SER H H 1 8.47 0.015 . 1 . . . . . . . . 4029 1 355 . 1 1 97 97 SER HA H 1 4.81 0.015 . 1 . . . . . . . . 4029 1 356 . 1 1 97 97 SER CA C 13 58.7 0.15 . 1 . . . . . . . . 4029 1 357 . 1 1 97 97 SER N N 15 116.03 0.2 . 1 . . . . . . . . 4029 1 358 . 1 1 98 98 ILE C C 13 176.63 0.15 . 1 . . . . . . . . 4029 1 359 . 1 1 99 99 LYS H H 1 8.12 0.015 . 1 . . . . . . . . 4029 1 360 . 1 1 99 99 LYS HA H 1 4.79 0.015 . 1 . . . . . . . . 4029 1 361 . 1 1 99 99 LYS C C 13 176.76 0.15 . 1 . . . . . . . . 4029 1 362 . 1 1 99 99 LYS CA C 13 57.67 0.15 . 1 . . . . . . . . 4029 1 363 . 1 1 99 99 LYS N N 15 123.6 0.2 . 1 . . . . . . . . 4029 1 364 . 1 1 100 100 ASP H H 1 8.32 0.015 . 1 . . . . . . . . 4029 1 365 . 1 1 100 100 ASP HA H 1 4.78 0.015 . 1 . . . . . . . . 4029 1 366 . 1 1 100 100 ASP C C 13 175.16 0.15 . 1 . . . . . . . . 4029 1 367 . 1 1 100 100 ASP CA C 13 55.19 0.15 . 1 . . . . . . . . 4029 1 368 . 1 1 100 100 ASP N N 15 116.87 0.2 . 1 . . . . . . . . 4029 1 369 . 1 1 101 101 THR H H 1 7.61 0.015 . 1 . . . . . . . . 4029 1 370 . 1 1 101 101 THR HA H 1 4.38 0.015 . 1 . . . . . . . . 4029 1 371 . 1 1 101 101 THR C C 13 173.61 0.15 . 1 . . . . . . . . 4029 1 372 . 1 1 101 101 THR CA C 13 61.42 0.15 . 1 . . . . . . . . 4029 1 373 . 1 1 101 101 THR N N 15 103.65 0.2 . 1 . . . . . . . . 4029 1 374 . 1 1 102 102 ASN H H 1 7.94 0.015 . 1 . . . . . . . . 4029 1 375 . 1 1 102 102 ASN HA H 1 5.32 0.015 . 1 . . . . . . . . 4029 1 376 . 1 1 102 102 ASN C C 13 174.07 0.15 . 1 . . . . . . . . 4029 1 377 . 1 1 102 102 ASN CA C 13 52.37 0.15 . 1 . . . . . . . . 4029 1 378 . 1 1 102 102 ASN N N 15 120.36 0.2 . 1 . . . . . . . . 4029 1 379 . 1 1 103 103 LEU H H 1 9.65 0.015 . 1 . . . . . . . . 4029 1 380 . 1 1 103 103 LEU HA H 1 5.08 0.015 . 1 . . . . . . . . 4029 1 381 . 1 1 103 103 LEU C C 13 174.91 0.15 . 1 . . . . . . . . 4029 1 382 . 1 1 103 103 LEU CA C 13 53.47 0.15 . 1 . . . . . . . . 4029 1 383 . 1 1 103 103 LEU N N 15 126.69 0.2 . 1 . . . . . . . . 4029 1 384 . 1 1 104 104 TYR H H 1 9.31 0.015 . 1 . . . . . . . . 4029 1 385 . 1 1 104 104 TYR HA H 1 4.79 0.015 . 1 . . . . . . . . 4029 1 386 . 1 1 104 104 TYR C C 13 174.06 0.15 . 1 . . . . . . . . 4029 1 387 . 1 1 104 104 TYR CA C 13 56.15 0.15 . 1 . . . . . . . . 4029 1 388 . 1 1 104 104 TYR N N 15 122.08 0.2 . 1 . . . . . . . . 4029 1 389 . 1 1 105 105 VAL H H 1 8.72 0.015 . 1 . . . . . . . . 4029 1 390 . 1 1 105 105 VAL HA H 1 5.04 0.015 . 1 . . . . . . . . 4029 1 391 . 1 1 105 105 VAL C C 13 174.35 0.15 . 1 . . . . . . . . 4029 1 392 . 1 1 105 105 VAL CA C 13 60.1 0.15 . 1 . . . . . . . . 4029 1 393 . 1 1 105 105 VAL N N 15 129.77 0.2 . 1 . . . . . . . . 4029 1 394 . 1 1 106 106 THR H H 1 8.83 0.015 . 1 . . . . . . . . 4029 1 395 . 1 1 106 106 THR HA H 1 5.00 0.015 . 1 . . . . . . . . 4029 1 396 . 1 1 106 106 THR C C 13 173.32 0.15 . 1 . . . . . . . . 4029 1 397 . 1 1 106 106 THR CA C 13 59.4 0.15 . 1 . . . . . . . . 4029 1 398 . 1 1 106 106 THR N N 15 114.6 0.2 . 1 . . . . . . . . 4029 1 399 . 1 1 107 107 ASN H H 1 8.35 0.015 . 1 . . . . . . . . 4029 1 400 . 1 1 107 107 ASN HA H 1 4.31 0.015 . 1 . . . . . . . . 4029 1 401 . 1 1 107 107 ASN C C 13 176.01 0.15 . 1 . . . . . . . . 4029 1 402 . 1 1 107 107 ASN CA C 13 53.5 0.15 . 1 . . . . . . . . 4029 1 403 . 1 1 107 107 ASN N N 15 113.04 0.2 . 1 . . . . . . . . 4029 1 404 . 1 1 108 108 LEU H H 1 8.23 0.015 . 1 . . . . . . . . 4029 1 405 . 1 1 108 108 LEU HA H 1 4.14 0.015 . 1 . . . . . . . . 4029 1 406 . 1 1 108 108 LEU CA C 13 53.5 0.15 . 1 . . . . . . . . 4029 1 407 . 1 1 108 108 LEU N N 15 117.35 0.2 . 1 . . . . . . . . 4029 1 408 . 1 1 109 109 PRO C C 13 177.83 0.15 . 1 . . . . . . . . 4029 1 409 . 1 1 109 109 PRO CA C 13 62.13 0.15 . 1 . . . . . . . . 4029 1 410 . 1 1 110 110 ARG H H 1 8.95 0.015 . 1 . . . . . . . . 4029 1 411 . 1 1 110 110 ARG HA H 1 4.81 0.015 . 1 . . . . . . . . 4029 1 412 . 1 1 110 110 ARG C C 13 175.67 0.15 . 1 . . . . . . . . 4029 1 413 . 1 1 110 110 ARG CA C 13 57.86 0.15 . 1 . . . . . . . . 4029 1 414 . 1 1 110 110 ARG N N 15 120.12 0.2 . 1 . . . . . . . . 4029 1 415 . 1 1 111 111 THR H H 1 7.07 0.015 . 1 . . . . . . . . 4029 1 416 . 1 1 111 111 THR HA H 1 4.27 0.015 . 1 . . . . . . . . 4029 1 417 . 1 1 111 111 THR C C 13 174.44 0.15 . 1 . . . . . . . . 4029 1 418 . 1 1 111 111 THR CA C 13 60.29 0.15 . 1 . . . . . . . . 4029 1 419 . 1 1 111 111 THR N N 15 103.51 0.2 . 1 . . . . . . . . 4029 1 420 . 1 1 112 112 ILE H H 1 7.22 0.015 . 1 . . . . . . . . 4029 1 421 . 1 1 112 112 ILE HA H 1 4.35 0.015 . 1 . . . . . . . . 4029 1 422 . 1 1 112 112 ILE C C 13 172.23 0.15 . 1 . . . . . . . . 4029 1 423 . 1 1 112 112 ILE CA C 13 59.2 0.15 . 1 . . . . . . . . 4029 1 424 . 1 1 112 112 ILE N N 15 121.98 0.2 . 1 . . . . . . . . 4029 1 425 . 1 1 113 113 THR H H 1 6.91 0.015 . 1 . . . . . . . . 4029 1 426 . 1 1 113 113 THR HA H 1 4.73 0.015 . 1 . . . . . . . . 4029 1 427 . 1 1 113 113 THR C C 13 175.32 0.15 . 1 . . . . . . . . 4029 1 428 . 1 1 113 113 THR CA C 13 58.7 0.15 . 1 . . . . . . . . 4029 1 429 . 1 1 113 113 THR N N 15 113.43 0.2 . 1 . . . . . . . . 4029 1 430 . 1 1 114 114 ASP H H 1 8.95 0.015 . 1 . . . . . . . . 4029 1 431 . 1 1 114 114 ASP HA H 1 4.18 0.015 . 1 . . . . . . . . 4029 1 432 . 1 1 114 114 ASP C C 13 178.01 0.15 . 1 . . . . . . . . 4029 1 433 . 1 1 114 114 ASP CA C 13 58.4 0.15 . 1 . . . . . . . . 4029 1 434 . 1 1 114 114 ASP N N 15 122.28 0.2 . 1 . . . . . . . . 4029 1 435 . 1 1 115 115 ASP H H 1 8.37 0.015 . 1 . . . . . . . . 4029 1 436 . 1 1 115 115 ASP HA H 1 4.44 0.015 . 1 . . . . . . . . 4029 1 437 . 1 1 115 115 ASP C C 13 179.02 0.15 . 1 . . . . . . . . 4029 1 438 . 1 1 115 115 ASP CA C 13 57.06 0.15 . 1 . . . . . . . . 4029 1 439 . 1 1 115 115 ASP N N 15 116.78 0.2 . 1 . . . . . . . . 4029 1 440 . 1 1 116 116 GLN H H 1 7.76 0.015 . 1 . . . . . . . . 4029 1 441 . 1 1 116 116 GLN HA H 1 4.19 0.015 . 1 . . . . . . . . 4029 1 442 . 1 1 116 116 GLN C C 13 179.2 0.15 . 1 . . . . . . . . 4029 1 443 . 1 1 116 116 GLN CA C 13 58.61 0.15 . 1 . . . . . . . . 4029 1 444 . 1 1 116 116 GLN N N 15 120.17 0.2 . 1 . . . . . . . . 4029 1 445 . 1 1 117 117 LEU H H 1 8.31 0.015 . 1 . . . . . . . . 4029 1 446 . 1 1 117 117 LEU HA H 1 4.81 0.015 . 1 . . . . . . . . 4029 1 447 . 1 1 117 117 LEU C C 13 179.26 0.15 . 1 . . . . . . . . 4029 1 448 . 1 1 117 117 LEU CA C 13 58.3 0.15 . 1 . . . . . . . . 4029 1 449 . 1 1 117 117 LEU N N 15 119.66 0.2 . 1 . . . . . . . . 4029 1 450 . 1 1 118 118 ASP H H 1 8.11 0.015 . 1 . . . . . . . . 4029 1 451 . 1 1 118 118 ASP HA H 1 4.21 0.015 . 1 . . . . . . . . 4029 1 452 . 1 1 118 118 ASP C C 13 179.75 0.15 . 1 . . . . . . . . 4029 1 453 . 1 1 118 118 ASP CA C 13 58.00 0.15 . 1 . . . . . . . . 4029 1 454 . 1 1 118 118 ASP N N 15 119.84 0.2 . 1 . . . . . . . . 4029 1 455 . 1 1 119 119 THR H H 1 8.04 0.015 . 1 . . . . . . . . 4029 1 456 . 1 1 119 119 THR HA H 1 3.95 0.015 . 1 . . . . . . . . 4029 1 457 . 1 1 119 119 THR CA C 13 66.8 0.15 . 1 . . . . . . . . 4029 1 458 . 1 1 119 119 THR N N 15 117.41 0.2 . 1 . . . . . . . . 4029 1 459 . 1 1 120 120 ILE C C 13 177.37 0.15 . 1 . . . . . . . . 4029 1 460 . 1 1 121 121 PHE H H 1 8.68 0.015 . 1 . . . . . . . . 4029 1 461 . 1 1 121 121 PHE HA H 1 4.46 0.015 . 1 . . . . . . . . 4029 1 462 . 1 1 121 121 PHE C C 13 180.5 0.15 . 1 . . . . . . . . 4029 1 463 . 1 1 121 121 PHE CA C 13 61.34 0.15 . 1 . . . . . . . . 4029 1 464 . 1 1 121 121 PHE N N 15 112.02 0.2 . 1 . . . . . . . . 4029 1 465 . 1 1 122 122 GLY H H 1 9.02 0.015 . 1 . . . . . . . . 4029 1 466 . 1 1 122 122 GLY HA2 H 1 4.32 0.015 . 1 . . . . . . . . 4029 1 467 . 1 1 122 122 GLY HA3 H 1 4.32 0.015 . 1 . . . . . . . . 4029 1 468 . 1 1 122 122 GLY C C 13 173.91 0.15 . 1 . . . . . . . . 4029 1 469 . 1 1 122 122 GLY CA C 13 46.59 0.15 . 1 . . . . . . . . 4029 1 470 . 1 1 122 122 GLY N N 15 114.94 0.2 . 1 . . . . . . . . 4029 1 471 . 1 1 123 123 LYS H H 1 6.68 0.015 . 1 . . . . . . . . 4029 1 472 . 1 1 123 123 LYS HA H 1 3.94 0.015 . 1 . . . . . . . . 4029 1 473 . 1 1 123 123 LYS C C 13 176.99 0.15 . 1 . . . . . . . . 4029 1 474 . 1 1 123 123 LYS CA C 13 57.37 0.15 . 1 . . . . . . . . 4029 1 475 . 1 1 123 123 LYS N N 15 115.63 0.2 . 1 . . . . . . . . 4029 1 476 . 1 1 124 124 TYR H H 1 6.85 0.015 . 1 . . . . . . . . 4029 1 477 . 1 1 124 124 TYR HA H 1 4.41 0.015 . 1 . . . . . . . . 4029 1 478 . 1 1 124 124 TYR C C 13 173.74 0.15 . 1 . . . . . . . . 4029 1 479 . 1 1 124 124 TYR CA C 13 58.5 0.15 . 1 . . . . . . . . 4029 1 480 . 1 1 124 124 TYR N N 15 113.44 0.2 . 1 . . . . . . . . 4029 1 481 . 1 1 125 125 GLY H H 1 7.32 0.015 . 1 . . . . . . . . 4029 1 482 . 1 1 125 125 GLY HA2 H 1 4.15 0.015 . 1 . . . . . . . . 4029 1 483 . 1 1 125 125 GLY HA3 H 1 4.15 0.015 . 1 . . . . . . . . 4029 1 484 . 1 1 125 125 GLY C C 13 171.16 0.15 . 1 . . . . . . . . 4029 1 485 . 1 1 125 125 GLY CA C 13 44.83 0.15 . 1 . . . . . . . . 4029 1 486 . 1 1 125 125 GLY N N 15 103.59 0.2 . 1 . . . . . . . . 4029 1 487 . 1 1 126 126 SER H H 1 8.26 0.015 . 1 . . . . . . . . 4029 1 488 . 1 1 126 126 SER HA H 1 4.51 0.015 . 1 . . . . . . . . 4029 1 489 . 1 1 126 126 SER C C 13 173.17 0.15 . 1 . . . . . . . . 4029 1 490 . 1 1 126 126 SER CA C 13 57.77 0.15 . 1 . . . . . . . . 4029 1 491 . 1 1 126 126 SER N N 15 114.04 0.2 . 1 . . . . . . . . 4029 1 492 . 1 1 127 127 ILE H H 1 8.74 0.015 . 1 . . . . . . . . 4029 1 493 . 1 1 127 127 ILE HA H 1 3.83 0.015 . 1 . . . . . . . . 4029 1 494 . 1 1 127 127 ILE CA C 13 61.58 0.15 . 1 . . . . . . . . 4029 1 495 . 1 1 127 127 ILE N N 15 127.45 0.2 . 1 . . . . . . . . 4029 1 496 . 1 1 128 128 VAL H H 1 9.48 0.015 . 1 . . . . . . . . 4029 1 497 . 1 1 128 128 VAL HA H 1 5.07 0.015 . 1 . . . . . . . . 4029 1 498 . 1 1 128 128 VAL N N 15 126.66 0.2 . 1 . . . . . . . . 4029 1 499 . 1 1 130 130 LYS C C 13 174.96 0.15 . 1 . . . . . . . . 4029 1 500 . 1 1 131 131 ASN H H 1 8.87 0.015 . 1 . . . . . . . . 4029 1 501 . 1 1 131 131 ASN HA H 1 4.98 0.015 . 1 . . . . . . . . 4029 1 502 . 1 1 131 131 ASN C C 13 173.82 0.15 . 1 . . . . . . . . 4029 1 503 . 1 1 131 131 ASN CA C 13 53.11 0.15 . 1 . . . . . . . . 4029 1 504 . 1 1 131 131 ASN N N 15 118.15 0.2 . 1 . . . . . . . . 4029 1 505 . 1 1 132 132 ILE H H 1 9.01 0.015 . 1 . . . . . . . . 4029 1 506 . 1 1 132 132 ILE HA H 1 4.04 0.015 . 1 . . . . . . . . 4029 1 507 . 1 1 132 132 ILE C C 13 175.45 0.15 . 1 . . . . . . . . 4029 1 508 . 1 1 132 132 ILE CA C 13 62.00 0.15 . 1 . . . . . . . . 4029 1 509 . 1 1 132 132 ILE N N 15 126.4 0.2 . 1 . . . . . . . . 4029 1 510 . 1 1 133 133 LEU H H 1 7.69 0.015 . 1 . . . . . . . . 4029 1 511 . 1 1 133 133 LEU HA H 1 4.53 0.015 . 1 . . . . . . . . 4029 1 512 . 1 1 133 133 LEU C C 13 177.76 0.15 . 1 . . . . . . . . 4029 1 513 . 1 1 133 133 LEU CA C 13 55.6 0.15 . 1 . . . . . . . . 4029 1 514 . 1 1 133 133 LEU N N 15 127.22 0.2 . 1 . . . . . . . . 4029 1 515 . 1 1 134 134 ARG H H 1 9.1 0.015 . 1 . . . . . . . . 4029 1 516 . 1 1 134 134 ARG HA H 1 4.76 0.015 . 1 . . . . . . . . 4029 1 517 . 1 1 134 134 ARG C C 13 175.7 0.15 . 1 . . . . . . . . 4029 1 518 . 1 1 134 134 ARG CA C 13 54.66 0.15 . 1 . . . . . . . . 4029 1 519 . 1 1 134 134 ARG N N 15 123.34 0.2 . 1 . . . . . . . . 4029 1 520 . 1 1 135 135 ASP H H 1 8.65 0.015 . 1 . . . . . . . . 4029 1 521 . 1 1 135 135 ASP HA H 1 4.52 0.015 . 1 . . . . . . . . 4029 1 522 . 1 1 135 135 ASP C C 13 177.8 0.15 . 1 . . . . . . . . 4029 1 523 . 1 1 135 135 ASP CA C 13 54.6 0.15 . 1 . . . . . . . . 4029 1 524 . 1 1 135 135 ASP N N 15 123.21 0.2 . 1 . . . . . . . . 4029 1 525 . 1 1 136 136 LYS H H 1 8.98 0.015 . 1 . . . . . . . . 4029 1 526 . 1 1 136 136 LYS HA H 1 4.02 0.015 . 1 . . . . . . . . 4029 1 527 . 1 1 136 136 LYS C C 13 177.37 0.15 . 1 . . . . . . . . 4029 1 528 . 1 1 136 136 LYS CA C 13 58.88 0.15 . 1 . . . . . . . . 4029 1 529 . 1 1 136 136 LYS N N 15 127.83 0.2 . 1 . . . . . . . . 4029 1 530 . 1 1 137 137 LEU H H 1 8.47 0.015 . 1 . . . . . . . . 4029 1 531 . 1 1 137 137 LEU HA H 1 4.4 0.015 . 1 . . . . . . . . 4029 1 532 . 1 1 137 137 LEU C C 13 179.3 0.15 . 1 . . . . . . . . 4029 1 533 . 1 1 137 137 LEU CA C 13 57.00 0.15 . 1 . . . . . . . . 4029 1 534 . 1 1 137 137 LEU N N 15 117.87 0.2 . 1 . . . . . . . . 4029 1 535 . 1 1 138 138 THR H H 1 8.21 0.015 . 1 . . . . . . . . 4029 1 536 . 1 1 138 138 THR HA H 1 4.41 0.015 . 1 . . . . . . . . 4029 1 537 . 1 1 138 138 THR C C 13 176.76 0.15 . 1 . . . . . . . . 4029 1 538 . 1 1 138 138 THR CA C 13 61.91 0.15 . 1 . . . . . . . . 4029 1 539 . 1 1 138 138 THR N N 15 106.55 0.2 . 1 . . . . . . . . 4029 1 540 . 1 1 139 139 GLY H H 1 8.26 0.015 . 1 . . . . . . . . 4029 1 541 . 1 1 139 139 GLY HA2 H 1 4.25 0.015 . 1 . . . . . . . . 4029 1 542 . 1 1 139 139 GLY HA3 H 1 4.25 0.015 . 1 . . . . . . . . 4029 1 543 . 1 1 139 139 GLY C C 13 173.06 0.15 . 1 . . . . . . . . 4029 1 544 . 1 1 139 139 GLY CA C 13 45.4 0.15 . 1 . . . . . . . . 4029 1 545 . 1 1 139 139 GLY N N 15 110.76 0.2 . 1 . . . . . . . . 4029 1 546 . 1 1 140 140 ARG H H 1 7.88 0.015 . 1 . . . . . . . . 4029 1 547 . 1 1 140 140 ARG HA H 1 4.7 0.015 . 1 . . . . . . . . 4029 1 548 . 1 1 140 140 ARG CA C 13 54.4 0.15 . 1 . . . . . . . . 4029 1 549 . 1 1 140 140 ARG N N 15 120.89 0.2 . 1 . . . . . . . . 4029 1 550 . 1 1 141 141 PRO C C 13 177.2 0.15 . 1 . . . . . . . . 4029 1 551 . 1 1 141 141 PRO CA C 13 63.55 0.15 . 1 . . . . . . . . 4029 1 552 . 1 1 142 142 ARG H H 1 8.27 0.015 . 1 . . . . . . . . 4029 1 553 . 1 1 142 142 ARG HA H 1 4.79 0.015 . 1 . . . . . . . . 4029 1 554 . 1 1 142 142 ARG C C 13 176.6 0.15 . 1 . . . . . . . . 4029 1 555 . 1 1 142 142 ARG CA C 13 56.1 0.15 . 1 . . . . . . . . 4029 1 556 . 1 1 142 142 ARG N N 15 119.51 0.2 . 1 . . . . . . . . 4029 1 557 . 1 1 143 143 GLY H H 1 8.64 0.015 . 1 . . . . . . . . 4029 1 558 . 1 1 143 143 GLY HA2 H 1 4.36 0.015 . 1 . . . . . . . . 4029 1 559 . 1 1 143 143 GLY HA3 H 1 4.36 0.015 . 1 . . . . . . . . 4029 1 560 . 1 1 143 143 GLY C C 13 171.6 0.15 . 1 . . . . . . . . 4029 1 561 . 1 1 143 143 GLY CA C 13 45.47 0.15 . 1 . . . . . . . . 4029 1 562 . 1 1 143 143 GLY N N 15 106.8 0.2 . 1 . . . . . . . . 4029 1 563 . 1 1 144 144 VAL H H 1 6.96 0.015 . 1 . . . . . . . . 4029 1 564 . 1 1 144 144 VAL HA H 1 5.22 0.015 . 1 . . . . . . . . 4029 1 565 . 1 1 144 144 VAL C C 13 175.23 0.15 . 1 . . . . . . . . 4029 1 566 . 1 1 144 144 VAL CA C 13 58.9 0.15 . 1 . . . . . . . . 4029 1 567 . 1 1 144 144 VAL N N 15 114.6 0.2 . 1 . . . . . . . . 4029 1 568 . 1 1 145 145 ALA H H 1 9.19 0.015 . 1 . . . . . . . . 4029 1 569 . 1 1 145 145 ALA HA H 1 5.13 0.015 . 1 . . . . . . . . 4029 1 570 . 1 1 145 145 ALA C C 13 174.06 0.15 . 1 . . . . . . . . 4029 1 571 . 1 1 145 145 ALA CA C 13 50.7 0.15 . 1 . . . . . . . . 4029 1 572 . 1 1 145 145 ALA N N 15 126.68 0.2 . 1 . . . . . . . . 4029 1 573 . 1 1 146 146 PHE H H 1 8.33 0.015 . 1 . . . . . . . . 4029 1 574 . 1 1 146 146 PHE HA H 1 5.84 0.015 . 1 . . . . . . . . 4029 1 575 . 1 1 146 146 PHE C C 13 176.2 0.15 . 1 . . . . . . . . 4029 1 576 . 1 1 146 146 PHE CA C 13 56.27 0.15 . 1 . . . . . . . . 4029 1 577 . 1 1 146 146 PHE N N 15 115.98 0.2 . 1 . . . . . . . . 4029 1 578 . 1 1 147 147 VAL H H 1 8.48 0.015 . 1 . . . . . . . . 4029 1 579 . 1 1 147 147 VAL HA H 1 4.13 0.015 . 1 . . . . . . . . 4029 1 580 . 1 1 147 147 VAL C C 13 173.2 0.15 . 1 . . . . . . . . 4029 1 581 . 1 1 147 147 VAL CA C 13 61.99 0.15 . 1 . . . . . . . . 4029 1 582 . 1 1 147 147 VAL N N 15 121.33 0.2 . 1 . . . . . . . . 4029 1 583 . 1 1 148 148 ARG H H 1 8.83 0.015 . 1 . . . . . . . . 4029 1 584 . 1 1 148 148 ARG HA H 1 5.58 0.015 . 1 . . . . . . . . 4029 1 585 . 1 1 148 148 ARG C C 13 175.96 0.15 . 1 . . . . . . . . 4029 1 586 . 1 1 148 148 ARG CA C 13 54.33 0.15 . 1 . . . . . . . . 4029 1 587 . 1 1 148 148 ARG N N 15 127.61 0.2 . 1 . . . . . . . . 4029 1 588 . 1 1 149 149 TYR H H 1 8.31 0.015 . 1 . . . . . . . . 4029 1 589 . 1 1 149 149 TYR HA H 1 5.25 0.015 . 1 . . . . . . . . 4029 1 590 . 1 1 149 149 TYR C C 13 175.39 0.15 . 1 . . . . . . . . 4029 1 591 . 1 1 149 149 TYR CA C 13 58.68 0.15 . 1 . . . . . . . . 4029 1 592 . 1 1 149 149 TYR N N 15 125.83 0.2 . 1 . . . . . . . . 4029 1 593 . 1 1 150 150 ASN H H 1 8.73 0.015 . 1 . . . . . . . . 4029 1 594 . 1 1 150 150 ASN HA H 1 4.61 0.015 . 1 . . . . . . . . 4029 1 595 . 1 1 150 150 ASN C C 13 175.43 0.15 . 1 . . . . . . . . 4029 1 596 . 1 1 150 150 ASN CA C 13 55.62 0.15 . 1 . . . . . . . . 4029 1 597 . 1 1 150 150 ASN N N 15 117.86 0.2 . 1 . . . . . . . . 4029 1 598 . 1 1 151 151 LYS H H 1 8.23 0.015 . 1 . . . . . . . . 4029 1 599 . 1 1 151 151 LYS HA H 1 4.86 0.015 . 1 . . . . . . . . 4029 1 600 . 1 1 151 151 LYS C C 13 177.76 0.15 . 1 . . . . . . . . 4029 1 601 . 1 1 151 151 LYS CA C 13 53.93 0.15 . 1 . . . . . . . . 4029 1 602 . 1 1 151 151 LYS N N 15 113.00 0.2 . 1 . . . . . . . . 4029 1 603 . 1 1 152 152 ARG H H 1 9.33 0.015 . 1 . . . . . . . . 4029 1 604 . 1 1 152 152 ARG HA H 1 4.79 0.015 . 1 . . . . . . . . 4029 1 605 . 1 1 152 152 ARG C C 13 178.66 0.15 . 1 . . . . . . . . 4029 1 606 . 1 1 152 152 ARG CA C 13 59.34 0.15 . 1 . . . . . . . . 4029 1 607 . 1 1 152 152 ARG N N 15 124.99 0.2 . 1 . . . . . . . . 4029 1 608 . 1 1 153 153 GLU H H 1 10.11 0.015 . 1 . . . . . . . . 4029 1 609 . 1 1 153 153 GLU HA H 1 4.00 0.015 . 1 . . . . . . . . 4029 1 610 . 1 1 153 153 GLU C C 13 179.17 0.15 . 1 . . . . . . . . 4029 1 611 . 1 1 153 153 GLU CA C 13 60.54 0.15 . 1 . . . . . . . . 4029 1 612 . 1 1 153 153 GLU N N 15 119.77 0.2 . 1 . . . . . . . . 4029 1 613 . 1 1 154 154 GLU H H 1 6.88 0.015 . 1 . . . . . . . . 4029 1 614 . 1 1 154 154 GLU HA H 1 3.92 0.015 . 1 . . . . . . . . 4029 1 615 . 1 1 154 154 GLU C C 13 176.77 0.15 . 1 . . . . . . . . 4029 1 616 . 1 1 154 154 GLU CA C 13 57.9 0.15 . 1 . . . . . . . . 4029 1 617 . 1 1 154 154 GLU N N 15 119.11 0.2 . 1 . . . . . . . . 4029 1 618 . 1 1 155 155 ALA H H 1 6.7 0.015 . 1 . . . . . . . . 4029 1 619 . 1 1 155 155 ALA HA H 1 3.83 0.015 . 1 . . . . . . . . 4029 1 620 . 1 1 155 155 ALA C C 13 179.2 0.15 . 1 . . . . . . . . 4029 1 621 . 1 1 155 155 ALA CA C 13 54.89 0.15 . 1 . . . . . . . . 4029 1 622 . 1 1 155 155 ALA N N 15 118.31 0.2 . 1 . . . . . . . . 4029 1 623 . 1 1 156 156 GLN H H 1 7.96 0.015 . 1 . . . . . . . . 4029 1 624 . 1 1 156 156 GLN HA H 1 3.91 0.015 . 1 . . . . . . . . 4029 1 625 . 1 1 156 156 GLN C C 13 178.8 0.15 . 1 . . . . . . . . 4029 1 626 . 1 1 156 156 GLN CA C 13 58.41 0.15 . 1 . . . . . . . . 4029 1 627 . 1 1 156 156 GLN N N 15 113.66 0.2 . 1 . . . . . . . . 4029 1 628 . 1 1 157 157 GLU H H 1 7.72 0.015 . 1 . . . . . . . . 4029 1 629 . 1 1 157 157 GLU HA H 1 3.97 0.015 . 1 . . . . . . . . 4029 1 630 . 1 1 157 157 GLU C C 13 178.62 0.15 . 1 . . . . . . . . 4029 1 631 . 1 1 157 157 GLU CA C 13 59.15 0.15 . 1 . . . . . . . . 4029 1 632 . 1 1 157 157 GLU N N 15 120.87 0.2 . 1 . . . . . . . . 4029 1 633 . 1 1 158 158 ALA H H 1 7.89 0.015 . 1 . . . . . . . . 4029 1 634 . 1 1 158 158 ALA HA H 1 3.07 0.015 . 1 . . . . . . . . 4029 1 635 . 1 1 158 158 ALA C C 13 179.4 0.15 . 1 . . . . . . . . 4029 1 636 . 1 1 158 158 ALA CA C 13 55.2 0.15 . 1 . . . . . . . . 4029 1 637 . 1 1 158 158 ALA N N 15 121.94 0.2 . 1 . . . . . . . . 4029 1 638 . 1 1 159 159 ILE H H 1 7.96 0.015 . 1 . . . . . . . . 4029 1 639 . 1 1 159 159 ILE HA H 1 3.3 0.015 . 1 . . . . . . . . 4029 1 640 . 1 1 159 159 ILE C C 13 178.45 0.15 . 1 . . . . . . . . 4029 1 641 . 1 1 159 159 ILE CA C 13 66.66 0.15 . 1 . . . . . . . . 4029 1 642 . 1 1 159 159 ILE N N 15 116.73 0.2 . 1 . . . . . . . . 4029 1 643 . 1 1 160 160 SER H H 1 7.78 0.015 . 1 . . . . . . . . 4029 1 644 . 1 1 160 160 SER HA H 1 4.11 0.015 . 1 . . . . . . . . 4029 1 645 . 1 1 160 160 SER C C 13 176.14 0.15 . 1 . . . . . . . . 4029 1 646 . 1 1 160 160 SER CA C 13 61.5 0.15 . 1 . . . . . . . . 4029 1 647 . 1 1 160 160 SER N N 15 112.48 0.2 . 1 . . . . . . . . 4029 1 648 . 1 1 161 161 ALA H H 1 7.89 0.015 . 1 . . . . . . . . 4029 1 649 . 1 1 161 161 ALA HA H 1 4.18 0.015 . 1 . . . . . . . . 4029 1 650 . 1 1 161 161 ALA C C 13 179.34 0.15 . 1 . . . . . . . . 4029 1 651 . 1 1 161 161 ALA CA C 13 53.7 0.15 . 1 . . . . . . . . 4029 1 652 . 1 1 161 161 ALA N N 15 120.37 0.2 . 1 . . . . . . . . 4029 1 653 . 1 1 162 162 LEU H H 1 7.87 0.015 . 1 . . . . . . . . 4029 1 654 . 1 1 162 162 LEU HA H 1 4.47 0.015 . 1 . . . . . . . . 4029 1 655 . 1 1 162 162 LEU C C 13 177.6 0.15 . 1 . . . . . . . . 4029 1 656 . 1 1 162 162 LEU CA C 13 54.81 0.15 . 1 . . . . . . . . 4029 1 657 . 1 1 162 162 LEU N N 15 113.41 0.2 . 1 . . . . . . . . 4029 1 658 . 1 1 163 163 ASN H H 1 8.02 0.015 . 1 . . . . . . . . 4029 1 659 . 1 1 163 163 ASN HA H 1 4.35 0.015 . 1 . . . . . . . . 4029 1 660 . 1 1 163 163 ASN C C 13 176.1 0.15 . 1 . . . . . . . . 4029 1 661 . 1 1 163 163 ASN CA C 13 56.35 0.15 . 1 . . . . . . . . 4029 1 662 . 1 1 163 163 ASN N N 15 116.06 0.2 . 1 . . . . . . . . 4029 1 663 . 1 1 164 164 ASN H H 1 8.95 0.015 . 1 . . . . . . . . 4029 1 664 . 1 1 164 164 ASN HA H 1 4.39 0.015 . 1 . . . . . . . . 4029 1 665 . 1 1 164 164 ASN C C 13 174.05 0.15 . 1 . . . . . . . . 4029 1 666 . 1 1 164 164 ASN CA C 13 55.00 0.15 . 1 . . . . . . . . 4029 1 667 . 1 1 164 164 ASN N N 15 119.42 0.2 . 1 . . . . . . . . 4029 1 668 . 1 1 165 165 VAL H H 1 7.71 0.015 . 1 . . . . . . . . 4029 1 669 . 1 1 165 165 VAL HA H 1 4.22 0.015 . 1 . . . . . . . . 4029 1 670 . 1 1 165 165 VAL C C 13 175.62 0.15 . 1 . . . . . . . . 4029 1 671 . 1 1 165 165 VAL CA C 13 61.76 0.15 . 1 . . . . . . . . 4029 1 672 . 1 1 165 165 VAL N N 15 119.88 0.2 . 1 . . . . . . . . 4029 1 673 . 1 1 166 166 ILE H H 1 8.67 0.015 . 1 . . . . . . . . 4029 1 674 . 1 1 166 166 ILE HA H 1 4.44 0.015 . 1 . . . . . . . . 4029 1 675 . 1 1 166 166 ILE C C 13 175.9 0.15 . 1 . . . . . . . . 4029 1 676 . 1 1 166 166 ILE CA C 13 59.00 0.15 . 1 . . . . . . . . 4029 1 677 . 1 1 166 166 ILE N N 15 128.56 0.2 . 1 . . . . . . . . 4029 1 678 . 1 1 167 167 PRO HA H 1 4.07 0.015 . 1 . . . . . . . . 4029 1 679 . 1 1 167 167 PRO C C 13 175.89 0.15 . 1 . . . . . . . . 4029 1 680 . 1 1 167 167 PRO CA C 13 62.1 0.15 . 1 . . . . . . . . 4029 1 681 . 1 1 168 168 GLU H H 1 8.65 0.015 . 1 . . . . . . . . 4029 1 682 . 1 1 168 168 GLU HA H 1 4.05 0.015 . 1 . . . . . . . . 4029 1 683 . 1 1 168 168 GLU C C 13 177.86 0.15 . 1 . . . . . . . . 4029 1 684 . 1 1 168 168 GLU CA C 13 58.36 0.15 . 1 . . . . . . . . 4029 1 685 . 1 1 168 168 GLU N N 15 121.69 0.2 . 1 . . . . . . . . 4029 1 686 . 1 1 169 169 GLY H H 1 8.86 0.015 . 1 . . . . . . . . 4029 1 687 . 1 1 169 169 GLY HA2 H 1 4.81 0.015 . 1 . . . . . . . . 4029 1 688 . 1 1 169 169 GLY HA3 H 1 4.81 0.015 . 1 . . . . . . . . 4029 1 689 . 1 1 169 169 GLY C C 13 174.8 0.15 . 1 . . . . . . . . 4029 1 690 . 1 1 169 169 GLY CA C 13 44.93 0.15 . 1 . . . . . . . . 4029 1 691 . 1 1 169 169 GLY N N 15 114.02 0.2 . 1 . . . . . . . . 4029 1 692 . 1 1 170 170 GLY H H 1 8.53 0.015 . 1 . . . . . . . . 4029 1 693 . 1 1 170 170 GLY HA2 H 1 4.56 0.015 . 1 . . . . . . . . 4029 1 694 . 1 1 170 170 GLY HA3 H 1 4.56 0.015 . 1 . . . . . . . . 4029 1 695 . 1 1 170 170 GLY C C 13 172.55 0.15 . 1 . . . . . . . . 4029 1 696 . 1 1 170 170 GLY CA C 13 43.3 0.15 . 1 . . . . . . . . 4029 1 697 . 1 1 170 170 GLY N N 15 107.91 0.2 . 1 . . . . . . . . 4029 1 698 . 1 1 171 171 SER H H 1 9.01 0.015 . 1 . . . . . . . . 4029 1 699 . 1 1 171 171 SER HA H 1 4.79 0.015 . 1 . . . . . . . . 4029 1 700 . 1 1 171 171 SER C C 13 173.44 0.15 . 1 . . . . . . . . 4029 1 701 . 1 1 171 171 SER CA C 13 58.18 0.15 . 1 . . . . . . . . 4029 1 702 . 1 1 171 171 SER N N 15 110.48 0.2 . 1 . . . . . . . . 4029 1 703 . 1 1 172 172 GLN H H 1 7.82 0.015 . 1 . . . . . . . . 4029 1 704 . 1 1 172 172 GLN HA H 1 4.91 0.015 . 1 . . . . . . . . 4029 1 705 . 1 1 172 172 GLN N N 15 120.38 0.2 . 1 . . . . . . . . 4029 1 706 . 1 1 173 173 PRO C C 13 176.86 0.15 . 1 . . . . . . . . 4029 1 707 . 1 1 173 173 PRO CA C 13 62.13 0.15 . 1 . . . . . . . . 4029 1 708 . 1 1 174 174 LEU H H 1 8.46 0.015 . 1 . . . . . . . . 4029 1 709 . 1 1 174 174 LEU HA H 1 4.72 0.015 . 1 . . . . . . . . 4029 1 710 . 1 1 174 174 LEU C C 13 177.9 0.15 . 1 . . . . . . . . 4029 1 711 . 1 1 174 174 LEU CA C 13 55.17 0.15 . 1 . . . . . . . . 4029 1 712 . 1 1 174 174 LEU N N 15 122.28 0.2 . 1 . . . . . . . . 4029 1 713 . 1 1 175 175 SER H H 1 7.72 0.015 . 1 . . . . . . . . 4029 1 714 . 1 1 175 175 SER HA H 1 5.18 0.015 . 1 . . . . . . . . 4029 1 715 . 1 1 175 175 SER C C 13 173.79 0.15 . 1 . . . . . . . . 4029 1 716 . 1 1 175 175 SER CA C 13 56.9 0.15 . 1 . . . . . . . . 4029 1 717 . 1 1 175 175 SER N N 15 115.58 0.2 . 1 . . . . . . . . 4029 1 718 . 1 1 176 176 VAL H H 1 8.83 0.015 . 1 . . . . . . . . 4029 1 719 . 1 1 176 176 VAL HA H 1 4.67 0.015 . 1 . . . . . . . . 4029 1 720 . 1 1 176 176 VAL C C 13 173.05 0.15 . 1 . . . . . . . . 4029 1 721 . 1 1 176 176 VAL CA C 13 61.83 0.15 . 1 . . . . . . . . 4029 1 722 . 1 1 176 176 VAL N N 15 126.64 0.2 . 1 . . . . . . . . 4029 1 723 . 1 1 177 177 ARG H H 1 8.27 0.015 . 1 . . . . . . . . 4029 1 724 . 1 1 177 177 ARG HA H 1 4.79 0.015 . 1 . . . . . . . . 4029 1 725 . 1 1 177 177 ARG C C 13 175.00 0.15 . 1 . . . . . . . . 4029 1 726 . 1 1 177 177 ARG CA C 13 53.4 0.15 . 1 . . . . . . . . 4029 1 727 . 1 1 177 177 ARG N N 15 122.04 0.2 . 1 . . . . . . . . 4029 1 728 . 1 1 178 178 LEU H H 1 8.84 0.015 . 1 . . . . . . . . 4029 1 729 . 1 1 178 178 LEU HA H 1 4.54 0.015 . 1 . . . . . . . . 4029 1 730 . 1 1 178 178 LEU CA C 13 56.08 0.15 . 1 . . . . . . . . 4029 1 731 . 1 1 178 178 LEU N N 15 121.74 0.2 . 1 . . . . . . . . 4029 1 732 . 1 1 179 179 ALA C C 13 177.39 0.15 . 1 . . . . . . . . 4029 1 733 . 1 1 180 180 GLU H H 1 8.61 0.015 . 1 . . . . . . . . 4029 1 734 . 1 1 180 180 GLU HA H 1 4.81 0.015 . 1 . . . . . . . . 4029 1 735 . 1 1 180 180 GLU C C 13 175.99 0.15 . 1 . . . . . . . . 4029 1 736 . 1 1 180 180 GLU CA C 13 56.00 0.15 . 1 . . . . . . . . 4029 1 737 . 1 1 180 180 GLU N N 15 119.4 0.2 . 1 . . . . . . . . 4029 1 738 . 1 1 181 181 GLU H H 1 8.41 0.015 . 1 . . . . . . . . 4029 1 739 . 1 1 181 181 GLU HA H 1 4.79 0.015 . 1 . . . . . . . . 4029 1 740 . 1 1 181 181 GLU C C 13 176.23 0.15 . 1 . . . . . . . . 4029 1 741 . 1 1 181 181 GLU CA C 13 56.2 0.15 . 1 . . . . . . . . 4029 1 742 . 1 1 181 181 GLU N N 15 122.21 0.2 . 1 . . . . . . . . 4029 1 743 . 1 1 182 182 HIS H H 1 8.53 0.015 . 1 . . . . . . . . 4029 1 744 . 1 1 182 182 HIS HA H 1 4.81 0.015 . 1 . . . . . . . . 4029 1 745 . 1 1 182 182 HIS C C 13 175.17 0.15 . 1 . . . . . . . . 4029 1 746 . 1 1 182 182 HIS CA C 13 55.58 0.15 . 1 . . . . . . . . 4029 1 747 . 1 1 182 182 HIS N N 15 119.9 0.2 . 1 . . . . . . . . 4029 1 748 . 1 1 183 183 GLY H H 1 8.48 0.015 . 1 . . . . . . . . 4029 1 749 . 1 1 183 183 GLY HA2 H 1 4.82 0.015 . 1 . . . . . . . . 4029 1 750 . 1 1 183 183 GLY HA3 H 1 4.82 0.015 . 1 . . . . . . . . 4029 1 751 . 1 1 183 183 GLY C C 13 172.98 0.15 . 1 . . . . . . . . 4029 1 752 . 1 1 183 183 GLY CA C 13 44.91 0.15 . 1 . . . . . . . . 4029 1 753 . 1 1 183 183 GLY N N 15 110.55 0.2 . 1 . . . . . . . . 4029 1 754 . 1 1 184 184 LYS H H 1 7.89 0.015 . 1 . . . . . . . . 4029 1 755 . 1 1 184 184 LYS HA H 1 4.13 0.015 . 1 . . . . . . . . 4029 1 756 . 1 1 184 184 LYS CA C 13 57.56 0.15 . 1 . . . . . . . . 4029 1 757 . 1 1 184 184 LYS N N 15 125.82 0.2 . 1 . . . . . . . . 4029 1 stop_ save_