data_5300 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5300 _Entry.Title ; Backbone 1H, 13C, and 15N Resonance Assignments for the 20.8 KDa C.elegans gene product ORF C32E8.3. Northeast Structural Genomics Consortium Target WR33. ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-02-22 _Entry.Accession_date 2002-02-25 _Entry.Last_release_date 2002-06-27 _Entry.Original_release_date 2002-06-27 _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 Daniel Monleon . . . 5300 2 Chiang YiWen . . . 5300 3 James Aramini . . . 5300 4 G.V.T. Swapna . . . 5300 5 Seho Kim . . . 5300 6 Thomas Szyperski . . . 5300 7 Gaetano Montelione . T. . 5300 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5300 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 331 5300 '13C chemical shifts' 496 5300 '15N chemical shifts' 175 5300 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 . . 2002-06-27 2002-02-22 original author . 5300 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5300 _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: Backbone 1H, 15N and 13C assignments for the 21 kDa Caenorhabditis elegans homologue of 'brain-specific' protein ; _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 91 _Citation.Page_last 92 _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 Daniel Monleon . . . 5300 1 2 Chiang YiWen . . . 5300 1 3 James Aramini . M. . 5300 1 4 G.V.T. Swapna . . . 5300 1 5 Daphne Macapagal . . . 5300 1 6 Kristin Gunsalus . C. . 5300 1 7 Seho Kim . . . 5300 1 8 Thomas Szyperski . . . 5300 1 9 Gaetano Montelione . T. . 5300 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'structural genomics' 5300 1 'Northeast Structural Genomics Consortium' 5300 1 WR33 5300 1 nematode 5300 1 stop_ save_ save_ref-1 _Citation.Sf_category citations _Citation.Sf_framecode ref-1 _Citation.Entry_ID 5300 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9217263 _Citation.Full_citation ; Zimmerman, D. E., Kulikowski, C. A., Huang, Y., Feng, W., Tashiro, M., Shimotakahara, S., Chien, C. Y., Powers, R., and Montelione, G. T. J. Mol. Biol. 269, 592-610, (1997). ; _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_wr33 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_wr33 _Assembly.Entry_ID 5300 _Assembly.ID 1 _Assembly.Name 'ORF C32E8.3' _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 'not present' _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 5300 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 'C.elegans ORF C32E8.3' 1 $WR33 . . . native . . . . . 5300 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'ORF C32E8.3' system 5300 1 'ORF C32E8.3' abbreviation 5300 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WR33 _Entity.Sf_category entity _Entity.Sf_framecode WR33 _Entity.Entry_ID 5300 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ORF C32E8.3' _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 ; MGHHHHHHSHMAAAAGFNWD DADVKKRWDAFTKFGAATAT EMTGKNFDKWLKDAGVLDNK AITGTMTGIAFSKVTGPKKK ATFDETKKVLAFVAEDRARQ SKKPIQDELDAITEKLAKLE APSVGGAAKANAAGVYSRLT DHTKYTGAHKERFDAEGKGK GKSGRADTTENTGYVGAYKN KDSYDKTHGK ; _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 190 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20800 _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 1PUL . "Solution Structure For The 21kda Caenorhabditis Elegans Protein Ce32e8.3. Northeast Structural Genomics Consortium Target Wr33" . . . . . 65.79 125 100.00 100.00 3.27e-83 . . . . 5300 1 2 no EMBL CCD66401 . "Protein C32E8.3 [Caenorhabditis elegans]" . . . . . 94.74 180 100.00 100.00 3.05e-123 . . . . 5300 1 3 no REF NP_491219 . "Protein C32E8.3 [Caenorhabditis elegans]" . . . . . 94.74 180 100.00 100.00 3.05e-123 . . . . 5300 1 4 no SP P91127 . "RecName: Full=TPPP family protein C32E8.3 [Caenorhabditis elegans]" . . . . . 94.74 180 100.00 100.00 3.05e-123 . . . . 5300 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ORF C32E8.3' common 5300 1 'ORF C32E8.3' abbreviation 5300 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 . 5300 1 2 . GLY . 5300 1 3 . HIS . 5300 1 4 . HIS . 5300 1 5 . HIS . 5300 1 6 . HIS . 5300 1 7 . HIS . 5300 1 8 . HIS . 5300 1 9 . SER . 5300 1 10 . HIS . 5300 1 11 . MET . 5300 1 12 . ALA . 5300 1 13 . ALA . 5300 1 14 . ALA . 5300 1 15 . ALA . 5300 1 16 . GLY . 5300 1 17 . PHE . 5300 1 18 . ASN . 5300 1 19 . TRP . 5300 1 20 . ASP . 5300 1 21 . ASP . 5300 1 22 . ALA . 5300 1 23 . ASP . 5300 1 24 . VAL . 5300 1 25 . LYS . 5300 1 26 . LYS . 5300 1 27 . ARG . 5300 1 28 . TRP . 5300 1 29 . ASP . 5300 1 30 . ALA . 5300 1 31 . PHE . 5300 1 32 . THR . 5300 1 33 . LYS . 5300 1 34 . PHE . 5300 1 35 . GLY . 5300 1 36 . ALA . 5300 1 37 . ALA . 5300 1 38 . THR . 5300 1 39 . ALA . 5300 1 40 . THR . 5300 1 41 . GLU . 5300 1 42 . MET . 5300 1 43 . THR . 5300 1 44 . GLY . 5300 1 45 . LYS . 5300 1 46 . ASN . 5300 1 47 . PHE . 5300 1 48 . ASP . 5300 1 49 . LYS . 5300 1 50 . TRP . 5300 1 51 . LEU . 5300 1 52 . LYS . 5300 1 53 . ASP . 5300 1 54 . ALA . 5300 1 55 . GLY . 5300 1 56 . VAL . 5300 1 57 . LEU . 5300 1 58 . ASP . 5300 1 59 . ASN . 5300 1 60 . LYS . 5300 1 61 . ALA . 5300 1 62 . ILE . 5300 1 63 . THR . 5300 1 64 . GLY . 5300 1 65 . THR . 5300 1 66 . MET . 5300 1 67 . THR . 5300 1 68 . GLY . 5300 1 69 . ILE . 5300 1 70 . ALA . 5300 1 71 . PHE . 5300 1 72 . SER . 5300 1 73 . LYS . 5300 1 74 . VAL . 5300 1 75 . THR . 5300 1 76 . GLY . 5300 1 77 . PRO . 5300 1 78 . LYS . 5300 1 79 . LYS . 5300 1 80 . LYS . 5300 1 81 . ALA . 5300 1 82 . THR . 5300 1 83 . PHE . 5300 1 84 . ASP . 5300 1 85 . GLU . 5300 1 86 . THR . 5300 1 87 . LYS . 5300 1 88 . LYS . 5300 1 89 . VAL . 5300 1 90 . LEU . 5300 1 91 . ALA . 5300 1 92 . PHE . 5300 1 93 . VAL . 5300 1 94 . ALA . 5300 1 95 . GLU . 5300 1 96 . ASP . 5300 1 97 . ARG . 5300 1 98 . ALA . 5300 1 99 . ARG . 5300 1 100 . GLN . 5300 1 101 . SER . 5300 1 102 . LYS . 5300 1 103 . LYS . 5300 1 104 . PRO . 5300 1 105 . ILE . 5300 1 106 . GLN . 5300 1 107 . ASP . 5300 1 108 . GLU . 5300 1 109 . LEU . 5300 1 110 . ASP . 5300 1 111 . ALA . 5300 1 112 . ILE . 5300 1 113 . THR . 5300 1 114 . GLU . 5300 1 115 . LYS . 5300 1 116 . LEU . 5300 1 117 . ALA . 5300 1 118 . LYS . 5300 1 119 . LEU . 5300 1 120 . GLU . 5300 1 121 . ALA . 5300 1 122 . PRO . 5300 1 123 . SER . 5300 1 124 . VAL . 5300 1 125 . GLY . 5300 1 126 . GLY . 5300 1 127 . ALA . 5300 1 128 . ALA . 5300 1 129 . LYS . 5300 1 130 . ALA . 5300 1 131 . ASN . 5300 1 132 . ALA . 5300 1 133 . ALA . 5300 1 134 . GLY . 5300 1 135 . VAL . 5300 1 136 . TYR . 5300 1 137 . SER . 5300 1 138 . ARG . 5300 1 139 . LEU . 5300 1 140 . THR . 5300 1 141 . ASP . 5300 1 142 . HIS . 5300 1 143 . THR . 5300 1 144 . LYS . 5300 1 145 . TYR . 5300 1 146 . THR . 5300 1 147 . GLY . 5300 1 148 . ALA . 5300 1 149 . HIS . 5300 1 150 . LYS . 5300 1 151 . GLU . 5300 1 152 . ARG . 5300 1 153 . PHE . 5300 1 154 . ASP . 5300 1 155 . ALA . 5300 1 156 . GLU . 5300 1 157 . GLY . 5300 1 158 . LYS . 5300 1 159 . GLY . 5300 1 160 . LYS . 5300 1 161 . GLY . 5300 1 162 . LYS . 5300 1 163 . SER . 5300 1 164 . GLY . 5300 1 165 . ARG . 5300 1 166 . ALA . 5300 1 167 . ASP . 5300 1 168 . THR . 5300 1 169 . THR . 5300 1 170 . GLU . 5300 1 171 . ASN . 5300 1 172 . THR . 5300 1 173 . GLY . 5300 1 174 . TYR . 5300 1 175 . VAL . 5300 1 176 . GLY . 5300 1 177 . ALA . 5300 1 178 . TYR . 5300 1 179 . LYS . 5300 1 180 . ASN . 5300 1 181 . LYS . 5300 1 182 . ASP . 5300 1 183 . SER . 5300 1 184 . TYR . 5300 1 185 . ASP . 5300 1 186 . LYS . 5300 1 187 . THR . 5300 1 188 . HIS . 5300 1 189 . GLY . 5300 1 190 . LYS . 5300 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 5300 1 . GLY 2 2 5300 1 . HIS 3 3 5300 1 . HIS 4 4 5300 1 . HIS 5 5 5300 1 . HIS 6 6 5300 1 . HIS 7 7 5300 1 . HIS 8 8 5300 1 . SER 9 9 5300 1 . HIS 10 10 5300 1 . MET 11 11 5300 1 . ALA 12 12 5300 1 . ALA 13 13 5300 1 . ALA 14 14 5300 1 . ALA 15 15 5300 1 . GLY 16 16 5300 1 . PHE 17 17 5300 1 . ASN 18 18 5300 1 . TRP 19 19 5300 1 . ASP 20 20 5300 1 . ASP 21 21 5300 1 . ALA 22 22 5300 1 . ASP 23 23 5300 1 . VAL 24 24 5300 1 . LYS 25 25 5300 1 . LYS 26 26 5300 1 . ARG 27 27 5300 1 . TRP 28 28 5300 1 . ASP 29 29 5300 1 . ALA 30 30 5300 1 . PHE 31 31 5300 1 . THR 32 32 5300 1 . LYS 33 33 5300 1 . PHE 34 34 5300 1 . GLY 35 35 5300 1 . ALA 36 36 5300 1 . ALA 37 37 5300 1 . THR 38 38 5300 1 . ALA 39 39 5300 1 . THR 40 40 5300 1 . GLU 41 41 5300 1 . MET 42 42 5300 1 . THR 43 43 5300 1 . GLY 44 44 5300 1 . LYS 45 45 5300 1 . ASN 46 46 5300 1 . PHE 47 47 5300 1 . ASP 48 48 5300 1 . LYS 49 49 5300 1 . TRP 50 50 5300 1 . LEU 51 51 5300 1 . LYS 52 52 5300 1 . ASP 53 53 5300 1 . ALA 54 54 5300 1 . GLY 55 55 5300 1 . VAL 56 56 5300 1 . LEU 57 57 5300 1 . ASP 58 58 5300 1 . ASN 59 59 5300 1 . LYS 60 60 5300 1 . ALA 61 61 5300 1 . ILE 62 62 5300 1 . THR 63 63 5300 1 . GLY 64 64 5300 1 . THR 65 65 5300 1 . MET 66 66 5300 1 . THR 67 67 5300 1 . GLY 68 68 5300 1 . ILE 69 69 5300 1 . ALA 70 70 5300 1 . PHE 71 71 5300 1 . SER 72 72 5300 1 . LYS 73 73 5300 1 . VAL 74 74 5300 1 . THR 75 75 5300 1 . GLY 76 76 5300 1 . PRO 77 77 5300 1 . LYS 78 78 5300 1 . LYS 79 79 5300 1 . LYS 80 80 5300 1 . ALA 81 81 5300 1 . THR 82 82 5300 1 . PHE 83 83 5300 1 . ASP 84 84 5300 1 . GLU 85 85 5300 1 . THR 86 86 5300 1 . LYS 87 87 5300 1 . LYS 88 88 5300 1 . VAL 89 89 5300 1 . LEU 90 90 5300 1 . ALA 91 91 5300 1 . PHE 92 92 5300 1 . VAL 93 93 5300 1 . ALA 94 94 5300 1 . GLU 95 95 5300 1 . ASP 96 96 5300 1 . ARG 97 97 5300 1 . ALA 98 98 5300 1 . ARG 99 99 5300 1 . GLN 100 100 5300 1 . SER 101 101 5300 1 . LYS 102 102 5300 1 . LYS 103 103 5300 1 . PRO 104 104 5300 1 . ILE 105 105 5300 1 . GLN 106 106 5300 1 . ASP 107 107 5300 1 . GLU 108 108 5300 1 . LEU 109 109 5300 1 . ASP 110 110 5300 1 . ALA 111 111 5300 1 . ILE 112 112 5300 1 . THR 113 113 5300 1 . GLU 114 114 5300 1 . LYS 115 115 5300 1 . LEU 116 116 5300 1 . ALA 117 117 5300 1 . LYS 118 118 5300 1 . LEU 119 119 5300 1 . GLU 120 120 5300 1 . ALA 121 121 5300 1 . PRO 122 122 5300 1 . SER 123 123 5300 1 . VAL 124 124 5300 1 . GLY 125 125 5300 1 . GLY 126 126 5300 1 . ALA 127 127 5300 1 . ALA 128 128 5300 1 . LYS 129 129 5300 1 . ALA 130 130 5300 1 . ASN 131 131 5300 1 . ALA 132 132 5300 1 . ALA 133 133 5300 1 . GLY 134 134 5300 1 . VAL 135 135 5300 1 . TYR 136 136 5300 1 . SER 137 137 5300 1 . ARG 138 138 5300 1 . LEU 139 139 5300 1 . THR 140 140 5300 1 . ASP 141 141 5300 1 . HIS 142 142 5300 1 . THR 143 143 5300 1 . LYS 144 144 5300 1 . TYR 145 145 5300 1 . THR 146 146 5300 1 . GLY 147 147 5300 1 . ALA 148 148 5300 1 . HIS 149 149 5300 1 . LYS 150 150 5300 1 . GLU 151 151 5300 1 . ARG 152 152 5300 1 . PHE 153 153 5300 1 . ASP 154 154 5300 1 . ALA 155 155 5300 1 . GLU 156 156 5300 1 . GLY 157 157 5300 1 . LYS 158 158 5300 1 . GLY 159 159 5300 1 . LYS 160 160 5300 1 . GLY 161 161 5300 1 . LYS 162 162 5300 1 . SER 163 163 5300 1 . GLY 164 164 5300 1 . ARG 165 165 5300 1 . ALA 166 166 5300 1 . ASP 167 167 5300 1 . THR 168 168 5300 1 . THR 169 169 5300 1 . GLU 170 170 5300 1 . ASN 171 171 5300 1 . THR 172 172 5300 1 . GLY 173 173 5300 1 . TYR 174 174 5300 1 . VAL 175 175 5300 1 . GLY 176 176 5300 1 . ALA 177 177 5300 1 . TYR 178 178 5300 1 . LYS 179 179 5300 1 . ASN 180 180 5300 1 . LYS 181 181 5300 1 . ASP 182 182 5300 1 . SER 183 183 5300 1 . TYR 184 184 5300 1 . ASP 185 185 5300 1 . LYS 186 186 5300 1 . THR 187 187 5300 1 . HIS 188 188 5300 1 . GLY 189 189 5300 1 . LYS 190 190 5300 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 5300 _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 $WR33 . 6239 . . 'Caenorhabditis elegans' C.elegans. . . Eubacteria . Caenorhabditis elegans . . . . . . . . . . . . . . . . . . . . . 5300 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 5300 _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 $WR33 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15b . . . ; C.elegans ORF C32E8.3 (WR33) gene was cloned into expression plasmid pET15b, generating plasmid pETWR33 E.coli strain BL21(DE3) cell cultures transformed with pETWR33 were grown at 37 C in MJ minimal media containing U15N-(NH4)2SO4 and 13C-glucose as sole nitrogen and carbon sources. ; . . 5300 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5300 _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 'ORF C32E8.3' '[U-13C; U-15N]' . . 1 $WR33 . . 1.4 . . mM . . . . 5300 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5300 _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 'ORF C32E8.3' '[U-13C; U-15N]' . . 1 $WR33 . . 0.5 . . mM . . . . 5300 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5300 _Sample.ID 3 _Sample.Type Bi-cell _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 'ORF C32E8.3' '[U-13C; U-15N]' . . 1 $WR33 . . 0.5 . . mM . . . . 5300 3 2 DMPC:DHCP:CTAB(30:10:1) . . . . . . . 4.5 . . % . . . . 5300 3 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5300 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; The sample stability was tested by recording a 1H-15N HSQC spectrum every 3 days during the global data collection period. ; 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 6.50 0.05 n/a 5300 1 temperature 298 0.5 K 5300 1 stop_ save_ save_condition_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_2 _Sample_condition_list.Entry_ID 5300 _Sample_condition_list.ID 2 _Sample_condition_list.Details ; This sample was put in DMPC:DMHC:CTAB bicelle 30:10:1 4.5% for alignment purposes. Aligned sample at T=32C. Unaligned sample at T=25C. ; 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 6.50 0.05 n/a 5300 2 temperature 298 0.5 K 5300 2 stop_ save_ save_condition_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_3 _Sample_condition_list.Entry_ID 5300 _Sample_condition_list.ID 3 _Sample_condition_list.Details ; This sample was put in DMPC:DMHC:CTAB bicelle 30:10:1 4.5% for alignment purposes. Aligned sample at T=32C. Unaligned sample at T=25C. ; 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 6.50 0.05 n/a 5300 3 temperature 305 0.5 K 5300 3 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5300 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2000 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5300 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 5300 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.91 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 5300 2 stop_ save_ save_AUTOASSIGN _Software.Sf_category software _Software.Sf_framecode AUTOASSIGN _Software.Entry_ID 5300 _Software.ID 3 _Software.Name AUTOASSIGN _Software.Version 1.8.0 _Software.Details 'In-house developed software for automating the peak assignment process.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated analysis of backbone 1H, 13C and 15N assignments' 5300 3 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref-1 5300 3 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 5300 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5300 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 5300 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5300 _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 . 500 . . . 5300 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 5300 1 3 NMR_spectrometer_3 Varian INOVA . 750 . . . 5300 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 5300 _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 HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5300 1 2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5300 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5300 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5300 1 5 (HA)CA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5300 1 6 HA(CA)(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5300 1 7 (HA)CANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5300 1 8 HA(CA)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5300 1 9 (H)CC(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5300 1 10 '13C-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5300 1 11 '15N-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5300 1 12 RD-HNCA,HA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5300 1 13 RD-HA,CA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5300 1 14 'RDC-JHC COUPLED (HA)CANH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5300 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 5300 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _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 5300 _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 5300 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _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 5300 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _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 5300 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name (HA)CA(CO)NH _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 5300 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HA(CA)(CO)NH _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 5300 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name (HA)CANH _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 5300 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HA(CA)NH _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5300 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name (H)CC(CO)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_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5300 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '13C-edited 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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5300 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '15N-edited 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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5300 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name RD-HNCA,HA _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_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5300 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name RD-HA,CA(CO)NH _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_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5300 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name 'RDC-JHC COUPLED (HA)CANH' _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 5300 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5300 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5300 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5300 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 5300 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 . 5300 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 C C 13 177.6 0.2 . 1 . . . . . . . . 5300 1 2 . 1 1 1 1 MET CA C 13 57.1 0.2 . 1 . . . . . . . . 5300 1 3 . 1 1 1 1 MET CB C 13 33.4 0.2 . 1 . . . . . . . . 5300 1 4 . 1 1 2 2 GLY HA2 H 1 4.22 0.01 . 1 . . . . . . . . 5300 1 5 . 1 1 2 2 GLY C C 13 174.4 0.2 . 1 . . . . . . . . 5300 1 6 . 1 1 2 2 GLY H H 1 8.50 0.01 . 1 . . . . . . . . 5300 1 7 . 1 1 2 2 GLY HA3 H 1 3.97 0.01 . 1 . . . . . . . . 5300 1 8 . 1 1 2 2 GLY CA C 13 45.9 0.2 . 1 . . . . . . . . 5300 1 9 . 1 1 2 2 GLY N N 15 109.9 0.2 . 1 . . . . . . . . 5300 1 10 . 1 1 3 3 HIS H H 1 7.84 0.01 . 1 . . . . . . . . 5300 1 11 . 1 1 3 3 HIS HA H 1 4.02 0.05 . 1 . . . . . . . . 5300 1 12 . 1 1 3 3 HIS CA C 13 63.1 0.2 . 1 . . . . . . . . 5300 1 13 . 1 1 3 3 HIS CB C 13 33.0 0.2 . 1 . . . . . . . . 5300 1 14 . 1 1 3 3 HIS N N 15 119.6 0.2 . 1 . . . . . . . . 5300 1 15 . 1 1 4 4 HIS H H 1 8.29 0.01 . 1 . . . . . . . . 5300 1 16 . 1 1 4 4 HIS CA C 13 54.6 0.2 . 1 . . . . . . . . 5300 1 17 . 1 1 4 4 HIS CB C 13 33.3 0.2 . 1 . . . . . . . . 5300 1 18 . 1 1 4 4 HIS N N 15 122.3 0.2 . 1 . . . . . . . . 5300 1 19 . 1 1 8 8 HIS C C 13 176.8 0.2 . 1 . . . . . . . . 5300 1 20 . 1 1 9 9 SER C C 13 177.9 0.2 . 1 . . . . . . . . 5300 1 21 . 1 1 9 9 SER H H 1 7.57 0.01 . 1 . . . . . . . . 5300 1 22 . 1 1 9 9 SER CA C 13 61.8 0.2 . 1 . . . . . . . . 5300 1 23 . 1 1 9 9 SER N N 15 121.0 0.2 . 1 . . . . . . . . 5300 1 24 . 1 1 10 10 HIS C C 13 179.1 0.2 . 1 . . . . . . . . 5300 1 25 . 1 1 10 10 HIS H H 1 7.10 0.01 . 1 . . . . . . . . 5300 1 26 . 1 1 10 10 HIS CA C 13 60.2 0.2 . 1 . . . . . . . . 5300 1 27 . 1 1 10 10 HIS CB C 13 32.5 0.2 . 1 . . . . . . . . 5300 1 28 . 1 1 10 10 HIS N N 15 119.1 0.2 . 1 . . . . . . . . 5300 1 29 . 1 1 11 11 MET C C 13 176.7 0.2 . 1 . . . . . . . . 5300 1 30 . 1 1 11 11 MET H H 1 8.26 0.01 . 1 . . . . . . . . 5300 1 31 . 1 1 11 11 MET CA C 13 56.7 0.2 . 1 . . . . . . . . 5300 1 32 . 1 1 11 11 MET CB C 13 33.6 0.2 . 1 . . . . . . . . 5300 1 33 . 1 1 11 11 MET N N 15 119.9 0.2 . 1 . . . . . . . . 5300 1 34 . 1 1 12 12 ALA C C 13 177.9 0.2 . 1 . . . . . . . . 5300 1 35 . 1 1 12 12 ALA H H 1 8.26 0.01 . 1 . . . . . . . . 5300 1 36 . 1 1 12 12 ALA CA C 13 53.1 0.2 . 1 . . . . . . . . 5300 1 37 . 1 1 12 12 ALA CB C 13 19.6 0.2 . 1 . . . . . . . . 5300 1 38 . 1 1 12 12 ALA N N 15 125.2 0.2 . 1 . . . . . . . . 5300 1 39 . 1 1 13 13 ALA C C 13 177.5 0.2 . 1 . . . . . . . . 5300 1 40 . 1 1 13 13 ALA H H 1 8.24 0.01 . 1 . . . . . . . . 5300 1 41 . 1 1 13 13 ALA HA H 1 4.35 0.05 . 1 . . . . . . . . 5300 1 42 . 1 1 13 13 ALA CA C 13 58.4 0.2 . 1 . . . . . . . . 5300 1 43 . 1 1 13 13 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 5300 1 44 . 1 1 13 13 ALA N N 15 123.3 0.2 . 1 . . . . . . . . 5300 1 45 . 1 1 14 14 ALA C C 13 177.2 0.2 . 1 . . . . . . . . 5300 1 46 . 1 1 14 14 ALA H H 1 8.06 0.01 . 1 . . . . . . . . 5300 1 47 . 1 1 14 14 ALA HA H 1 4.28 0.05 . 1 . . . . . . . . 5300 1 48 . 1 1 14 14 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 5300 1 49 . 1 1 14 14 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 5300 1 50 . 1 1 14 14 ALA N N 15 123.0 0.2 . 1 . . . . . . . . 5300 1 51 . 1 1 15 15 ALA C C 13 177.0 0.2 . 1 . . . . . . . . 5300 1 52 . 1 1 15 15 ALA H H 1 7.92 0.01 . 1 . . . . . . . . 5300 1 53 . 1 1 15 15 ALA HA H 1 4.20 0.05 . 1 . . . . . . . . 5300 1 54 . 1 1 15 15 ALA CA C 13 52.5 0.2 . 1 . . . . . . . . 5300 1 55 . 1 1 15 15 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 5300 1 56 . 1 1 15 15 ALA N N 15 123.4 0.2 . 1 . . . . . . . . 5300 1 57 . 1 1 16 16 GLY HA2 H 1 3.61 0.01 . 1 . . . . . . . . 5300 1 58 . 1 1 16 16 GLY C C 13 172.7 0.2 . 1 . . . . . . . . 5300 1 59 . 1 1 16 16 GLY H H 1 8.73 0.01 . 1 . . . . . . . . 5300 1 60 . 1 1 16 16 GLY CA C 13 44.7 0.2 . 1 . . . . . . . . 5300 1 61 . 1 1 16 16 GLY N N 15 109.5 0.2 . 1 . . . . . . . . 5300 1 62 . 1 1 17 17 PHE C C 13 175.8 0.2 . 1 . . . . . . . . 5300 1 63 . 1 1 17 17 PHE H H 1 8.47 0.01 . 1 . . . . . . . . 5300 1 64 . 1 1 17 17 PHE HA H 1 3.72 0.05 . 1 . . . . . . . . 5300 1 65 . 1 1 17 17 PHE CA C 13 58.3 0.2 . 1 . . . . . . . . 5300 1 66 . 1 1 17 17 PHE CB C 13 39.2 0.2 . 1 . . . . . . . . 5300 1 67 . 1 1 17 17 PHE N N 15 120.5 0.2 . 1 . . . . . . . . 5300 1 68 . 1 1 18 18 ASN C C 13 174.3 0.2 . 1 . . . . . . . . 5300 1 69 . 1 1 18 18 ASN H H 1 9.15 0.01 . 1 . . . . . . . . 5300 1 70 . 1 1 18 18 ASN HA H 1 4.92 0.05 . 1 . . . . . . . . 5300 1 71 . 1 1 18 18 ASN CA C 13 53.3 0.2 . 1 . . . . . . . . 5300 1 72 . 1 1 18 18 ASN CB C 13 37.9 0.2 . 1 . . . . . . . . 5300 1 73 . 1 1 18 18 ASN N N 15 126.3 0.2 . 1 . . . . . . . . 5300 1 74 . 1 1 19 19 TRP C C 13 174.9 0.2 . 1 . . . . . . . . 5300 1 75 . 1 1 19 19 TRP H H 1 7.93 0.01 . 1 . . . . . . . . 5300 1 76 . 1 1 19 19 TRP HA H 1 5.00 0.05 . 1 . . . . . . . . 5300 1 77 . 1 1 19 19 TRP CA C 13 53.7 0.2 . 1 . . . . . . . . 5300 1 78 . 1 1 19 19 TRP CB C 13 30.6 0.2 . 1 . . . . . . . . 5300 1 79 . 1 1 19 19 TRP N N 15 118.1 0.2 . 1 . . . . . . . . 5300 1 80 . 1 1 20 20 ASP C C 13 175.3 0.2 . 1 . . . . . . . . 5300 1 81 . 1 1 20 20 ASP H H 1 9.25 0.01 . 1 . . . . . . . . 5300 1 82 . 1 1 20 20 ASP HA H 1 5.01 0.05 . 1 . . . . . . . . 5300 1 83 . 1 1 20 20 ASP CA C 13 53.4 0.2 . 1 . . . . . . . . 5300 1 84 . 1 1 20 20 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 5300 1 85 . 1 1 20 20 ASP N N 15 121.1 0.2 . 1 . . . . . . . . 5300 1 86 . 1 1 21 21 ASP C C 13 177.3 0.2 . 1 . . . . . . . . 5300 1 87 . 1 1 21 21 ASP H H 1 8.69 0.01 . 1 . . . . . . . . 5300 1 88 . 1 1 21 21 ASP HA H 1 4.05 0.05 . 1 . . . . . . . . 5300 1 89 . 1 1 21 21 ASP CA C 13 59.2 0.2 . 1 . . . . . . . . 5300 1 90 . 1 1 21 21 ASP CB C 13 43.8 0.2 . 1 . . . . . . . . 5300 1 91 . 1 1 21 21 ASP N N 15 127.8 0.2 . 1 . . . . . . . . 5300 1 92 . 1 1 22 22 ALA H H 1 8.08 0.01 . 1 . . . . . . . . 5300 1 93 . 1 1 22 22 ALA HA H 1 3.98 0.05 . 1 . . . . . . . . 5300 1 94 . 1 1 22 22 ALA CA C 13 55.6 0.2 . 1 . . . . . . . . 5300 1 95 . 1 1 22 22 ALA CB C 13 18.6 0.2 . 1 . . . . . . . . 5300 1 96 . 1 1 22 22 ALA N N 15 118.5 0.2 . 1 . . . . . . . . 5300 1 97 . 1 1 23 23 ASP C C 13 176.8 0.2 . 1 . . . . . . . . 5300 1 98 . 1 1 23 23 ASP H H 1 7.60 0.01 . 1 . . . . . . . . 5300 1 99 . 1 1 23 23 ASP HA H 1 4.37 0.05 . 1 . . . . . . . . 5300 1 100 . 1 1 23 23 ASP CA C 13 57.8 0.2 . 1 . . . . . . . . 5300 1 101 . 1 1 23 23 ASP CB C 13 43.5 0.2 . 1 . . . . . . . . 5300 1 102 . 1 1 23 23 ASP N N 15 119.7 0.2 . 1 . . . . . . . . 5300 1 103 . 1 1 24 24 VAL C C 13 177.2 0.2 . 1 . . . . . . . . 5300 1 104 . 1 1 24 24 VAL H H 1 8.54 0.01 . 1 . . . . . . . . 5300 1 105 . 1 1 24 24 VAL HA H 1 3.40 0.05 . 1 . . . . . . . . 5300 1 106 . 1 1 24 24 VAL CA C 13 67.6 0.2 . 1 . . . . . . . . 5300 1 107 . 1 1 24 24 VAL CB C 13 31.1 0.2 . 1 . . . . . . . . 5300 1 108 . 1 1 24 24 VAL N N 15 119.0 0.2 . 1 . . . . . . . . 5300 1 109 . 1 1 25 25 LYS C C 13 178.3 0.2 . 1 . . . . . . . . 5300 1 110 . 1 1 25 25 LYS H H 1 8.37 0.01 . 1 . . . . . . . . 5300 1 111 . 1 1 25 25 LYS HA H 1 3.08 0.05 . 1 . . . . . . . . 5300 1 112 . 1 1 25 25 LYS CA C 13 57.3 0.2 . 1 . . . . . . . . 5300 1 113 . 1 1 25 25 LYS CB C 13 29.6 0.2 . 1 . . . . . . . . 5300 1 114 . 1 1 25 25 LYS N N 15 122.3 0.2 . 1 . . . . . . . . 5300 1 115 . 1 1 26 26 LYS H H 1 6.97 0.01 . 1 . . . . . . . . 5300 1 116 . 1 1 26 26 LYS HA H 1 4.14 0.05 . 1 . . . . . . . . 5300 1 117 . 1 1 26 26 LYS CA C 13 60.3 0.2 . 1 . . . . . . . . 5300 1 118 . 1 1 26 26 LYS CB C 13 32.7 0.2 . 1 . . . . . . . . 5300 1 119 . 1 1 26 26 LYS N N 15 117.1 0.2 . 1 . . . . . . . . 5300 1 120 . 1 1 27 27 ARG C C 13 178.3 0.2 . 1 . . . . . . . . 5300 1 121 . 1 1 27 27 ARG H H 1 7.44 0.01 . 1 . . . . . . . . 5300 1 122 . 1 1 27 27 ARG HA H 1 4.14 0.05 . 1 . . . . . . . . 5300 1 123 . 1 1 27 27 ARG CA C 13 60.2 0.2 . 1 . . . . . . . . 5300 1 124 . 1 1 27 27 ARG CB C 13 30.6 0.2 . 1 . . . . . . . . 5300 1 125 . 1 1 27 27 ARG N N 15 121.8 0.2 . 1 . . . . . . . . 5300 1 126 . 1 1 28 28 TRP C C 13 179.0 0.2 . 1 . . . . . . . . 5300 1 127 . 1 1 28 28 TRP H H 1 9.44 0.01 . 1 . . . . . . . . 5300 1 128 . 1 1 28 28 TRP HA H 1 3.15 0.05 . 1 . . . . . . . . 5300 1 129 . 1 1 28 28 TRP CA C 13 62.4 0.2 . 1 . . . . . . . . 5300 1 130 . 1 1 28 28 TRP CB C 13 29.7 0.2 . 1 . . . . . . . . 5300 1 131 . 1 1 28 28 TRP N N 15 121.3 0.2 . 1 . . . . . . . . 5300 1 132 . 1 1 29 29 ASP C C 13 177.4 0.2 . 1 . . . . . . . . 5300 1 133 . 1 1 29 29 ASP H H 1 8.91 0.01 . 1 . . . . . . . . 5300 1 134 . 1 1 29 29 ASP HA H 1 3.84 0.05 . 1 . . . . . . . . 5300 1 135 . 1 1 29 29 ASP CA C 13 58.3 0.2 . 1 . . . . . . . . 5300 1 136 . 1 1 29 29 ASP CB C 13 42.0 0.2 . 1 . . . . . . . . 5300 1 137 . 1 1 29 29 ASP N N 15 121.5 0.2 . 1 . . . . . . . . 5300 1 138 . 1 1 30 30 ALA H H 1 7.16 0.01 . 1 . . . . . . . . 5300 1 139 . 1 1 30 30 ALA HA H 1 3.97 0.05 . 1 . . . . . . . . 5300 1 140 . 1 1 30 30 ALA CA C 13 55.2 0.2 . 1 . . . . . . . . 5300 1 141 . 1 1 30 30 ALA CB C 13 19.0 0.2 . 1 . . . . . . . . 5300 1 142 . 1 1 30 30 ALA N N 15 119.7 0.2 . 1 . . . . . . . . 5300 1 143 . 1 1 31 31 PHE C C 13 175.8 0.2 . 1 . . . . . . . . 5300 1 144 . 1 1 31 31 PHE H H 1 7.65 0.01 . 1 . . . . . . . . 5300 1 145 . 1 1 31 31 PHE HA H 1 3.98 0.05 . 1 . . . . . . . . 5300 1 146 . 1 1 31 31 PHE CA C 13 63.3 0.2 . 1 . . . . . . . . 5300 1 147 . 1 1 31 31 PHE CB C 13 39.4 0.2 . 1 . . . . . . . . 5300 1 148 . 1 1 31 31 PHE N N 15 116.5 0.2 . 1 . . . . . . . . 5300 1 149 . 1 1 32 32 THR C C 13 175.0 0.2 . 1 . . . . . . . . 5300 1 150 . 1 1 32 32 THR H H 1 8.16 0.01 . 1 . . . . . . . . 5300 1 151 . 1 1 32 32 THR HA H 1 4.83 0.05 . 1 . . . . . . . . 5300 1 152 . 1 1 32 32 THR CA C 13 62.8 0.2 . 1 . . . . . . . . 5300 1 153 . 1 1 32 32 THR CB C 13 70.2 0.2 . 1 . . . . . . . . 5300 1 154 . 1 1 32 32 THR N N 15 114.3 0.2 . 1 . . . . . . . . 5300 1 155 . 1 1 33 33 LYS C C 13 176.4 0.2 . 1 . . . . . . . . 5300 1 156 . 1 1 33 33 LYS H H 1 8.41 0.01 . 1 . . . . . . . . 5300 1 157 . 1 1 33 33 LYS HA H 1 4.34 0.05 . 1 . . . . . . . . 5300 1 158 . 1 1 33 33 LYS CA C 13 57.0 0.2 . 1 . . . . . . . . 5300 1 159 . 1 1 33 33 LYS CB C 13 30.7 0.2 . 1 . . . . . . . . 5300 1 160 . 1 1 33 33 LYS N N 15 123.3 0.2 . 1 . . . . . . . . 5300 1 161 . 1 1 34 34 PHE C C 13 175.7 0.2 . 1 . . . . . . . . 5300 1 162 . 1 1 34 34 PHE H H 1 8.50 0.01 . 1 . . . . . . . . 5300 1 163 . 1 1 34 34 PHE HA H 1 4.19 0.05 . 1 . . . . . . . . 5300 1 164 . 1 1 34 34 PHE CA C 13 53.7 0.2 . 1 . . . . . . . . 5300 1 165 . 1 1 34 34 PHE CB C 13 39.3 0.2 . 1 . . . . . . . . 5300 1 166 . 1 1 34 34 PHE N N 15 120.2 0.2 . 1 . . . . . . . . 5300 1 167 . 1 1 35 35 GLY C C 13 173.9 0.2 . 1 . . . . . . . . 5300 1 168 . 1 1 35 35 GLY H H 1 8.32 0.01 . 1 . . . . . . . . 5300 1 169 . 1 1 35 35 GLY CA C 13 46.6 0.2 . 1 . . . . . . . . 5300 1 170 . 1 1 35 35 GLY N N 15 122.3 0.2 . 1 . . . . . . . . 5300 1 171 . 1 1 36 36 ALA C C 13 176.0 0.2 . 1 . . . . . . . . 5300 1 172 . 1 1 36 36 ALA H H 1 7.83 0.01 . 1 . . . . . . . . 5300 1 173 . 1 1 36 36 ALA HA H 1 4.50 0.05 . 1 . . . . . . . . 5300 1 174 . 1 1 36 36 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 5300 1 175 . 1 1 36 36 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 5300 1 176 . 1 1 36 36 ALA N N 15 125.4 0.2 . 1 . . . . . . . . 5300 1 177 . 1 1 37 37 ALA C C 13 178.7 0.2 . 1 . . . . . . . . 5300 1 178 . 1 1 37 37 ALA H H 1 8.44 0.01 . 1 . . . . . . . . 5300 1 179 . 1 1 37 37 ALA HA H 1 4.09 0.05 . 1 . . . . . . . . 5300 1 180 . 1 1 37 37 ALA CA C 13 56.1 0.2 . 1 . . . . . . . . 5300 1 181 . 1 1 37 37 ALA CB C 13 19.6 0.2 . 1 . . . . . . . . 5300 1 182 . 1 1 37 37 ALA N N 15 123.3 0.2 . 1 . . . . . . . . 5300 1 183 . 1 1 38 38 THR C C 13 175.4 0.2 . 1 . . . . . . . . 5300 1 184 . 1 1 38 38 THR H H 1 7.75 0.01 . 1 . . . . . . . . 5300 1 185 . 1 1 38 38 THR HA H 1 4.38 0.05 . 1 . . . . . . . . 5300 1 186 . 1 1 38 38 THR CA C 13 60.9 0.2 . 1 . . . . . . . . 5300 1 187 . 1 1 38 38 THR CB C 13 69.8 0.2 . 1 . . . . . . . . 5300 1 188 . 1 1 38 38 THR N N 15 103.7 0.2 . 1 . . . . . . . . 5300 1 189 . 1 1 39 39 ALA C C 13 177.6 0.2 . 1 . . . . . . . . 5300 1 190 . 1 1 39 39 ALA H H 1 7.96 0.01 . 1 . . . . . . . . 5300 1 191 . 1 1 39 39 ALA HA H 1 4.20 0.05 . 1 . . . . . . . . 5300 1 192 . 1 1 39 39 ALA CA C 13 54.3 0.2 . 1 . . . . . . . . 5300 1 193 . 1 1 39 39 ALA CB C 13 20.7 0.2 . 1 . . . . . . . . 5300 1 194 . 1 1 39 39 ALA N N 15 127.4 0.2 . 1 . . . . . . . . 5300 1 195 . 1 1 40 40 THR C C 13 174.8 0.2 . 1 . . . . . . . . 5300 1 196 . 1 1 40 40 THR H H 1 8.53 0.01 . 1 . . . . . . . . 5300 1 197 . 1 1 40 40 THR HA H 1 4.51 0.05 . 1 . . . . . . . . 5300 1 198 . 1 1 40 40 THR CA C 13 61.5 0.2 . 1 . . . . . . . . 5300 1 199 . 1 1 40 40 THR CB C 13 70.7 0.2 . 1 . . . . . . . . 5300 1 200 . 1 1 40 40 THR N N 15 108.5 0.2 . 1 . . . . . . . . 5300 1 201 . 1 1 41 41 GLU C C 13 175.2 0.2 . 1 . . . . . . . . 5300 1 202 . 1 1 41 41 GLU H H 1 7.62 0.01 . 1 . . . . . . . . 5300 1 203 . 1 1 41 41 GLU HA H 1 4.84 0.05 . 1 . . . . . . . . 5300 1 204 . 1 1 41 41 GLU CA C 13 56.0 0.2 . 1 . . . . . . . . 5300 1 205 . 1 1 41 41 GLU CB C 13 34.7 0.2 . 1 . . . . . . . . 5300 1 206 . 1 1 41 41 GLU N N 15 121.6 0.2 . 1 . . . . . . . . 5300 1 207 . 1 1 42 42 MET H H 1 9.57 0.01 . 1 . . . . . . . . 5300 1 208 . 1 1 42 42 MET HA H 1 4.42 0.05 . 1 . . . . . . . . 5300 1 209 . 1 1 42 42 MET CA C 13 57.3 0.2 . 1 . . . . . . . . 5300 1 210 . 1 1 42 42 MET CB C 13 37.5 0.2 . 1 . . . . . . . . 5300 1 211 . 1 1 42 42 MET N N 15 126.5 0.2 . 1 . . . . . . . . 5300 1 212 . 1 1 43 43 THR C C 13 175.1 0.2 . 1 . . . . . . . . 5300 1 213 . 1 1 43 43 THR H H 1 8.19 0.01 . 1 . . . . . . . . 5300 1 214 . 1 1 43 43 THR CA C 13 59.0 0.2 . 1 . . . . . . . . 5300 1 215 . 1 1 43 43 THR CB C 13 70.3 0.2 . 1 . . . . . . . . 5300 1 216 . 1 1 43 43 THR N N 15 122.3 0.2 . 1 . . . . . . . . 5300 1 217 . 1 1 44 44 GLY HA2 H 1 4.42 0.01 . 1 . . . . . . . . 5300 1 218 . 1 1 44 44 GLY C C 13 177.8 0.2 . 1 . . . . . . . . 5300 1 219 . 1 1 44 44 GLY H H 1 8.79 0.01 . 1 . . . . . . . . 5300 1 220 . 1 1 44 44 GLY CA C 13 46.9 0.2 . 1 . . . . . . . . 5300 1 221 . 1 1 44 44 GLY N N 15 111.3 0.2 . 1 . . . . . . . . 5300 1 222 . 1 1 45 45 LYS C C 13 179.6 0.2 . 1 . . . . . . . . 5300 1 223 . 1 1 45 45 LYS H H 1 7.84 0.01 . 1 . . . . . . . . 5300 1 224 . 1 1 45 45 LYS HA H 1 4.21 0.05 . 1 . . . . . . . . 5300 1 225 . 1 1 45 45 LYS CA C 13 59.5 0.2 . 1 . . . . . . . . 5300 1 226 . 1 1 45 45 LYS CB C 13 33.3 0.2 . 1 . . . . . . . . 5300 1 227 . 1 1 45 45 LYS N N 15 117.3 0.2 . 1 . . . . . . . . 5300 1 228 . 1 1 46 46 ASN C C 13 177.3 0.2 . 1 . . . . . . . . 5300 1 229 . 1 1 46 46 ASN H H 1 7.54 0.01 . 1 . . . . . . . . 5300 1 230 . 1 1 46 46 ASN HA H 1 4.75 0.05 . 1 . . . . . . . . 5300 1 231 . 1 1 46 46 ASN CA C 13 56.1 0.2 . 1 . . . . . . . . 5300 1 232 . 1 1 46 46 ASN CB C 13 38.1 0.2 . 1 . . . . . . . . 5300 1 233 . 1 1 46 46 ASN N N 15 122.1 0.2 . 1 . . . . . . . . 5300 1 234 . 1 1 47 47 PHE C C 13 176.6 0.2 . 1 . . . . . . . . 5300 1 235 . 1 1 47 47 PHE H H 1 8.58 0.01 . 1 . . . . . . . . 5300 1 236 . 1 1 47 47 PHE HA H 1 5.02 0.05 . 1 . . . . . . . . 5300 1 237 . 1 1 47 47 PHE CA C 13 62.8 0.2 . 1 . . . . . . . . 5300 1 238 . 1 1 47 47 PHE CB C 13 39.9 0.2 . 1 . . . . . . . . 5300 1 239 . 1 1 47 47 PHE N N 15 126.1 0.2 . 1 . . . . . . . . 5300 1 240 . 1 1 48 48 ASP C C 13 178.8 0.2 . 1 . . . . . . . . 5300 1 241 . 1 1 48 48 ASP H H 1 8.11 0.01 . 1 . . . . . . . . 5300 1 242 . 1 1 48 48 ASP HA H 1 4.25 0.05 . 1 . . . . . . . . 5300 1 243 . 1 1 48 48 ASP CA C 13 57.8 0.2 . 1 . . . . . . . . 5300 1 244 . 1 1 48 48 ASP CB C 13 39.9 0.2 . 1 . . . . . . . . 5300 1 245 . 1 1 48 48 ASP N N 15 120.1 0.2 . 1 . . . . . . . . 5300 1 246 . 1 1 49 49 LYS C C 13 177.1 0.2 . 1 . . . . . . . . 5300 1 247 . 1 1 49 49 LYS H H 1 7.77 0.01 . 1 . . . . . . . . 5300 1 248 . 1 1 49 49 LYS HA H 1 3.97 0.05 . 1 . . . . . . . . 5300 1 249 . 1 1 49 49 LYS CA C 13 60.4 0.2 . 1 . . . . . . . . 5300 1 250 . 1 1 49 49 LYS CB C 13 32.8 0.2 . 1 . . . . . . . . 5300 1 251 . 1 1 49 49 LYS N N 15 119.9 0.2 . 1 . . . . . . . . 5300 1 252 . 1 1 50 50 TRP C C 13 176.9 0.2 . 1 . . . . . . . . 5300 1 253 . 1 1 50 50 TRP H H 1 7.96 0.01 . 1 . . . . . . . . 5300 1 254 . 1 1 50 50 TRP HA H 1 3.84 0.05 . 1 . . . . . . . . 5300 1 255 . 1 1 50 50 TRP CA C 13 58.9 0.2 . 1 . . . . . . . . 5300 1 256 . 1 1 50 50 TRP CB C 13 29.2 0.2 . 1 . . . . . . . . 5300 1 257 . 1 1 50 50 TRP N N 15 121.2 0.2 . 1 . . . . . . . . 5300 1 258 . 1 1 51 51 LEU H H 1 7.75 0.01 . 1 . . . . . . . . 5300 1 259 . 1 1 51 51 LEU HA H 1 3.39 0.05 . 1 . . . . . . . . 5300 1 260 . 1 1 51 51 LEU CA C 13 59.3 0.2 . 1 . . . . . . . . 5300 1 261 . 1 1 51 51 LEU CB C 13 42.5 0.2 . 1 . . . . . . . . 5300 1 262 . 1 1 51 51 LEU N N 15 114.1 0.2 . 1 . . . . . . . . 5300 1 263 . 1 1 52 52 LYS H H 1 9.32 0.01 . 1 . . . . . . . . 5300 1 264 . 1 1 52 52 LYS HA H 1 4.13 0.05 . 1 . . . . . . . . 5300 1 265 . 1 1 52 52 LYS CA C 13 60.6 0.2 . 1 . . . . . . . . 5300 1 266 . 1 1 52 52 LYS CB C 13 33.1 0.2 . 1 . . . . . . . . 5300 1 267 . 1 1 52 52 LYS N N 15 126.6 0.2 . 1 . . . . . . . . 5300 1 268 . 1 1 53 53 ASP C C 13 178.4 0.2 . 1 . . . . . . . . 5300 1 269 . 1 1 53 53 ASP H H 1 9.44 0.01 . 1 . . . . . . . . 5300 1 270 . 1 1 53 53 ASP HA H 1 4.32 0.05 . 1 . . . . . . . . 5300 1 271 . 1 1 53 53 ASP CA C 13 57.9 0.2 . 1 . . . . . . . . 5300 1 272 . 1 1 53 53 ASP CB C 13 40.0 0.2 . 1 . . . . . . . . 5300 1 273 . 1 1 53 53 ASP N N 15 125.1 0.2 . 1 . . . . . . . . 5300 1 274 . 1 1 54 54 ALA C C 13 177.6 0.2 . 1 . . . . . . . . 5300 1 275 . 1 1 54 54 ALA H H 1 7.54 0.01 . 1 . . . . . . . . 5300 1 276 . 1 1 54 54 ALA HA H 1 4.15 0.05 . 1 . . . . . . . . 5300 1 277 . 1 1 54 54 ALA CA C 13 52.9 0.2 . 1 . . . . . . . . 5300 1 278 . 1 1 54 54 ALA CB C 13 20.9 0.2 . 1 . . . . . . . . 5300 1 279 . 1 1 54 54 ALA N N 15 117.8 0.2 . 1 . . . . . . . . 5300 1 280 . 1 1 55 55 GLY HA2 H 1 3.79 0.01 . 1 . . . . . . . . 5300 1 281 . 1 1 55 55 GLY C C 13 174.7 0.2 . 1 . . . . . . . . 5300 1 282 . 1 1 55 55 GLY H H 1 7.79 0.01 . 1 . . . . . . . . 5300 1 283 . 1 1 55 55 GLY CA C 13 45.5 0.2 . 1 . . . . . . . . 5300 1 284 . 1 1 55 55 GLY N N 15 105.3 0.2 . 1 . . . . . . . . 5300 1 285 . 1 1 56 56 VAL C C 13 175.8 0.2 . 1 . . . . . . . . 5300 1 286 . 1 1 56 56 VAL H H 1 7.92 0.01 . 1 . . . . . . . . 5300 1 287 . 1 1 56 56 VAL HA H 1 3.79 0.05 . 1 . . . . . . . . 5300 1 288 . 1 1 56 56 VAL CA C 13 64.3 0.2 . 1 . . . . . . . . 5300 1 289 . 1 1 56 56 VAL CB C 13 33.4 0.2 . 1 . . . . . . . . 5300 1 290 . 1 1 56 56 VAL N N 15 119.0 0.2 . 1 . . . . . . . . 5300 1 291 . 1 1 57 57 LEU C C 13 174.7 0.2 . 1 . . . . . . . . 5300 1 292 . 1 1 57 57 LEU H H 1 6.62 0.01 . 1 . . . . . . . . 5300 1 293 . 1 1 57 57 LEU HA H 1 3.81 0.05 . 1 . . . . . . . . 5300 1 294 . 1 1 57 57 LEU CA C 13 55.2 0.2 . 1 . . . . . . . . 5300 1 295 . 1 1 57 57 LEU CB C 13 42.4 0.2 . 1 . . . . . . . . 5300 1 296 . 1 1 57 57 LEU N N 15 119.9 0.2 . 1 . . . . . . . . 5300 1 297 . 1 1 58 58 ASP C C 13 176.9 0.2 . 1 . . . . . . . . 5300 1 298 . 1 1 58 58 ASP H H 1 8.30 0.01 . 1 . . . . . . . . 5300 1 299 . 1 1 58 58 ASP HA H 1 4.59 0.05 . 1 . . . . . . . . 5300 1 300 . 1 1 58 58 ASP CA C 13 53.3 0.2 . 1 . . . . . . . . 5300 1 301 . 1 1 58 58 ASP CB C 13 42.1 0.2 . 1 . . . . . . . . 5300 1 302 . 1 1 58 58 ASP N N 15 127.0 0.2 . 1 . . . . . . . . 5300 1 303 . 1 1 59 59 ASN C C 13 173.9 0.2 . 1 . . . . . . . . 5300 1 304 . 1 1 59 59 ASN H H 1 8.59 0.01 . 1 . . . . . . . . 5300 1 305 . 1 1 59 59 ASN HA H 1 4.24 0.05 . 1 . . . . . . . . 5300 1 306 . 1 1 59 59 ASN CA C 13 56.1 0.2 . 1 . . . . . . . . 5300 1 307 . 1 1 59 59 ASN CB C 13 38.3 0.2 . 1 . . . . . . . . 5300 1 308 . 1 1 59 59 ASN N N 15 114.8 0.2 . 1 . . . . . . . . 5300 1 309 . 1 1 60 60 LYS C C 13 175.0 0.2 . 1 . . . . . . . . 5300 1 310 . 1 1 60 60 LYS H H 1 8.24 0.01 . 1 . . . . . . . . 5300 1 311 . 1 1 60 60 LYS HA H 1 4.33 0.05 . 1 . . . . . . . . 5300 1 312 . 1 1 60 60 LYS CA C 13 58.2 0.2 . 1 . . . . . . . . 5300 1 313 . 1 1 60 60 LYS CB C 13 35.0 0.2 . 1 . . . . . . . . 5300 1 314 . 1 1 60 60 LYS N N 15 119.4 0.2 . 1 . . . . . . . . 5300 1 315 . 1 1 61 61 ALA C C 13 177.3 0.2 . 1 . . . . . . . . 5300 1 316 . 1 1 61 61 ALA H H 1 9.02 0.01 . 1 . . . . . . . . 5300 1 317 . 1 1 61 61 ALA HA H 1 4.22 0.05 . 1 . . . . . . . . 5300 1 318 . 1 1 61 61 ALA CA C 13 54.7 0.2 . 1 . . . . . . . . 5300 1 319 . 1 1 61 61 ALA CB C 13 20.1 0.2 . 1 . . . . . . . . 5300 1 320 . 1 1 61 61 ALA N N 15 126.0 0.2 . 1 . . . . . . . . 5300 1 321 . 1 1 62 62 ILE C C 13 175.5 0.2 . 1 . . . . . . . . 5300 1 322 . 1 1 62 62 ILE H H 1 7.91 0.01 . 1 . . . . . . . . 5300 1 323 . 1 1 62 62 ILE HA H 1 4.63 0.05 . 1 . . . . . . . . 5300 1 324 . 1 1 62 62 ILE CA C 13 61.1 0.2 . 1 . . . . . . . . 5300 1 325 . 1 1 62 62 ILE CB C 13 38.8 0.2 . 1 . . . . . . . . 5300 1 326 . 1 1 62 62 ILE N N 15 116.0 0.2 . 1 . . . . . . . . 5300 1 327 . 1 1 63 63 THR C C 13 175.5 0.2 . 1 . . . . . . . . 5300 1 328 . 1 1 63 63 THR H H 1 7.60 0.01 . 1 . . . . . . . . 5300 1 329 . 1 1 63 63 THR HA H 1 4.83 0.05 . 1 . . . . . . . . 5300 1 330 . 1 1 63 63 THR CA C 13 59.3 0.2 . 1 . . . . . . . . 5300 1 331 . 1 1 63 63 THR CB C 13 72.7 0.2 . 1 . . . . . . . . 5300 1 332 . 1 1 63 63 THR N N 15 117.0 0.2 . 1 . . . . . . . . 5300 1 333 . 1 1 64 64 GLY C C 13 177.9 0.2 . 1 . . . . . . . . 5300 1 334 . 1 1 64 64 GLY H H 1 9.11 0.01 . 1 . . . . . . . . 5300 1 335 . 1 1 64 64 GLY CA C 13 46.2 0.2 . 1 . . . . . . . . 5300 1 336 . 1 1 64 64 GLY N N 15 108.3 0.2 . 1 . . . . . . . . 5300 1 337 . 1 1 65 65 THR C C 13 176.5 0.2 . 1 . . . . . . . . 5300 1 338 . 1 1 65 65 THR H H 1 7.82 0.01 . 1 . . . . . . . . 5300 1 339 . 1 1 65 65 THR CA C 13 66.5 0.2 . 1 . . . . . . . . 5300 1 340 . 1 1 65 65 THR CB C 13 69.2 0.2 . 1 . . . . . . . . 5300 1 341 . 1 1 65 65 THR N N 15 118.5 0.2 . 1 . . . . . . . . 5300 1 342 . 1 1 66 66 MET H H 1 7.43 0.01 . 1 . . . . . . . . 5300 1 343 . 1 1 66 66 MET HA H 1 4.09 0.05 . 1 . . . . . . . . 5300 1 344 . 1 1 66 66 MET CA C 13 59.9 0.2 . 1 . . . . . . . . 5300 1 345 . 1 1 66 66 MET CB C 13 35.5 0.2 . 1 . . . . . . . . 5300 1 346 . 1 1 66 66 MET N N 15 120.5 0.2 . 1 . . . . . . . . 5300 1 347 . 1 1 67 67 THR C C 13 173.1 0.2 . 1 . . . . . . . . 5300 1 348 . 1 1 67 67 THR H H 1 8.66 0.01 . 1 . . . . . . . . 5300 1 349 . 1 1 67 67 THR CA C 13 66.9 0.2 . 1 . . . . . . . . 5300 1 350 . 1 1 67 67 THR CB C 13 67.0 0.2 . 1 . . . . . . . . 5300 1 351 . 1 1 67 67 THR N N 15 111.8 0.2 . 1 . . . . . . . . 5300 1 352 . 1 1 68 68 GLY HA2 H 1 4.03 0.01 . 1 . . . . . . . . 5300 1 353 . 1 1 68 68 GLY C C 13 177.8 0.2 . 1 . . . . . . . . 5300 1 354 . 1 1 68 68 GLY H H 1 8.30 0.01 . 1 . . . . . . . . 5300 1 355 . 1 1 68 68 GLY HA3 H 1 4.03 0.01 . 1 . . . . . . . . 5300 1 356 . 1 1 68 68 GLY CA C 13 47.9 0.2 . 1 . . . . . . . . 5300 1 357 . 1 1 68 68 GLY N N 15 111.1 0.2 . 1 . . . . . . . . 5300 1 358 . 1 1 69 69 ILE C C 13 178.6 0.2 . 1 . . . . . . . . 5300 1 359 . 1 1 69 69 ILE H H 1 7.95 0.01 . 1 . . . . . . . . 5300 1 360 . 1 1 69 69 ILE HA H 1 3.86 0.05 . 1 . . . . . . . . 5300 1 361 . 1 1 69 69 ILE CA C 13 65.3 0.2 . 1 . . . . . . . . 5300 1 362 . 1 1 69 69 ILE CB C 13 38.8 0.2 . 1 . . . . . . . . 5300 1 363 . 1 1 69 69 ILE N N 15 123.7 0.2 . 1 . . . . . . . . 5300 1 364 . 1 1 70 70 ALA C C 13 178.4 0.2 . 1 . . . . . . . . 5300 1 365 . 1 1 70 70 ALA H H 1 7.53 0.01 . 1 . . . . . . . . 5300 1 366 . 1 1 70 70 ALA HA H 1 3.84 0.05 . 1 . . . . . . . . 5300 1 367 . 1 1 70 70 ALA CA C 13 55.9 0.2 . 1 . . . . . . . . 5300 1 368 . 1 1 70 70 ALA CB C 13 21.1 0.2 . 1 . . . . . . . . 5300 1 369 . 1 1 70 70 ALA N N 15 122.9 0.2 . 1 . . . . . . . . 5300 1 370 . 1 1 71 71 PHE H H 1 8.82 0.01 . 1 . . . . . . . . 5300 1 371 . 1 1 71 71 PHE HA H 1 3.81 0.05 . 1 . . . . . . . . 5300 1 372 . 1 1 71 71 PHE CA C 13 62.8 0.2 . 1 . . . . . . . . 5300 1 373 . 1 1 71 71 PHE CB C 13 40.6 0.2 . 1 . . . . . . . . 5300 1 374 . 1 1 71 71 PHE N N 15 118.0 0.2 . 1 . . . . . . . . 5300 1 375 . 1 1 72 72 SER C C 13 177.6 0.2 . 1 . . . . . . . . 5300 1 376 . 1 1 72 72 SER H H 1 8.34 0.01 . 1 . . . . . . . . 5300 1 377 . 1 1 72 72 SER HA H 1 4.04 0.05 . 1 . . . . . . . . 5300 1 378 . 1 1 72 72 SER CA C 13 62.0 0.2 . 1 . . . . . . . . 5300 1 379 . 1 1 72 72 SER N N 15 116.5 0.2 . 1 . . . . . . . . 5300 1 380 . 1 1 73 73 LYS C C 13 178.7 0.2 . 1 . . . . . . . . 5300 1 381 . 1 1 73 73 LYS H H 1 8.13 0.01 . 1 . . . . . . . . 5300 1 382 . 1 1 73 73 LYS HA H 1 4.45 0.05 . 1 . . . . . . . . 5300 1 383 . 1 1 73 73 LYS CA C 13 58.4 0.2 . 1 . . . . . . . . 5300 1 384 . 1 1 73 73 LYS CB C 13 33.1 0.2 . 1 . . . . . . . . 5300 1 385 . 1 1 73 73 LYS N N 15 122.8 0.2 . 1 . . . . . . . . 5300 1 386 . 1 1 74 74 VAL C C 13 177.8 0.2 . 1 . . . . . . . . 5300 1 387 . 1 1 74 74 VAL H H 1 7.18 0.01 . 1 . . . . . . . . 5300 1 388 . 1 1 74 74 VAL HA H 1 3.86 0.05 . 1 . . . . . . . . 5300 1 389 . 1 1 74 74 VAL CA C 13 65.6 0.2 . 1 . . . . . . . . 5300 1 390 . 1 1 74 74 VAL CB C 13 33.3 0.2 . 1 . . . . . . . . 5300 1 391 . 1 1 74 74 VAL N N 15 115.7 0.2 . 1 . . . . . . . . 5300 1 392 . 1 1 75 75 THR C C 13 176.5 0.2 . 1 . . . . . . . . 5300 1 393 . 1 1 75 75 THR H H 1 7.72 0.01 . 1 . . . . . . . . 5300 1 394 . 1 1 75 75 THR HA H 1 4.05 0.05 . 1 . . . . . . . . 5300 1 395 . 1 1 75 75 THR CA C 13 64.3 0.2 . 1 . . . . . . . . 5300 1 396 . 1 1 75 75 THR CB C 13 71.3 0.2 . 1 . . . . . . . . 5300 1 397 . 1 1 75 75 THR N N 15 107.3 0.2 . 1 . . . . . . . . 5300 1 398 . 1 1 76 76 GLY H H 1 8.09 0.01 . 1 . . . . . . . . 5300 1 399 . 1 1 76 76 GLY CA C 13 46.0 0.2 . 1 . . . . . . . . 5300 1 400 . 1 1 76 76 GLY N N 15 111.9 0.2 . 1 . . . . . . . . 5300 1 401 . 1 1 77 77 PRO C C 13 177.8 0.2 . 1 . . . . . . . . 5300 1 402 . 1 1 77 77 PRO HA H 1 4.47 0.05 . 1 . . . . . . . . 5300 1 403 . 1 1 77 77 PRO CA C 13 64.7 0.2 . 1 . . . . . . . . 5300 1 404 . 1 1 77 77 PRO CB C 13 32.6 0.2 . 1 . . . . . . . . 5300 1 405 . 1 1 78 78 LYS C C 13 178.3 0.2 . 1 . . . . . . . . 5300 1 406 . 1 1 78 78 LYS H H 1 7.84 0.01 . 1 . . . . . . . . 5300 1 407 . 1 1 78 78 LYS HA H 1 4.27 0.05 . 1 . . . . . . . . 5300 1 408 . 1 1 78 78 LYS CA C 13 59.5 0.2 . 1 . . . . . . . . 5300 1 409 . 1 1 78 78 LYS CB C 13 33.3 0.2 . 1 . . . . . . . . 5300 1 410 . 1 1 78 78 LYS N N 15 117.3 0.2 . 1 . . . . . . . . 5300 1 411 . 1 1 79 79 LYS C C 13 174.7 0.2 . 1 . . . . . . . . 5300 1 412 . 1 1 79 79 LYS H H 1 7.51 0.01 . 1 . . . . . . . . 5300 1 413 . 1 1 79 79 LYS HA H 1 4.16 0.05 . 1 . . . . . . . . 5300 1 414 . 1 1 79 79 LYS CA C 13 58.5 0.2 . 1 . . . . . . . . 5300 1 415 . 1 1 79 79 LYS CB C 13 30.8 0.2 . 1 . . . . . . . . 5300 1 416 . 1 1 79 79 LYS N N 15 109.9 0.2 . 1 . . . . . . . . 5300 1 417 . 1 1 80 80 LYS C C 13 173.9 0.2 . 1 . . . . . . . . 5300 1 418 . 1 1 80 80 LYS H H 1 7.20 0.01 . 1 . . . . . . . . 5300 1 419 . 1 1 80 80 LYS HA H 1 5.34 0.05 . 1 . . . . . . . . 5300 1 420 . 1 1 80 80 LYS CA C 13 55.9 0.2 . 1 . . . . . . . . 5300 1 421 . 1 1 80 80 LYS CB C 13 35.9 0.2 . 1 . . . . . . . . 5300 1 422 . 1 1 80 80 LYS N N 15 114.7 0.2 . 1 . . . . . . . . 5300 1 423 . 1 1 81 81 ALA C C 13 179.6 0.2 . 1 . . . . . . . . 5300 1 424 . 1 1 81 81 ALA H H 1 9.22 0.01 . 1 . . . . . . . . 5300 1 425 . 1 1 81 81 ALA CA C 13 50.9 0.2 . 1 . . . . . . . . 5300 1 426 . 1 1 81 81 ALA CB C 13 24.5 0.2 . 1 . . . . . . . . 5300 1 427 . 1 1 81 81 ALA N N 15 123.8 0.2 . 1 . . . . . . . . 5300 1 428 . 1 1 82 82 THR C C 13 177.0 0.2 . 1 . . . . . . . . 5300 1 429 . 1 1 82 82 THR H H 1 7.56 0.01 . 1 . . . . . . . . 5300 1 430 . 1 1 82 82 THR CA C 13 62.0 0.2 . 1 . . . . . . . . 5300 1 431 . 1 1 82 82 THR CB C 13 71.8 0.2 . 1 . . . . . . . . 5300 1 432 . 1 1 82 82 THR N N 15 122.3 0.2 . 1 . . . . . . . . 5300 1 433 . 1 1 83 83 PHE C C 13 177.0 0.2 . 1 . . . . . . . . 5300 1 434 . 1 1 83 83 PHE H H 1 9.38 0.01 . 1 . . . . . . . . 5300 1 435 . 1 1 83 83 PHE HA H 1 3.21 0.05 . 1 . . . . . . . . 5300 1 436 . 1 1 83 83 PHE CA C 13 62.5 0.2 . 1 . . . . . . . . 5300 1 437 . 1 1 83 83 PHE CB C 13 38.3 0.2 . 1 . . . . . . . . 5300 1 438 . 1 1 83 83 PHE N N 15 128.4 0.2 . 1 . . . . . . . . 5300 1 439 . 1 1 84 84 ASP H H 1 8.26 0.01 . 1 . . . . . . . . 5300 1 440 . 1 1 84 84 ASP HA H 1 3.99 0.05 . 1 . . . . . . . . 5300 1 441 . 1 1 84 84 ASP CA C 13 58.2 0.2 . 1 . . . . . . . . 5300 1 442 . 1 1 84 84 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 5300 1 443 . 1 1 84 84 ASP N N 15 118.2 0.2 . 1 . . . . . . . . 5300 1 444 . 1 1 85 85 GLU C C 13 178.3 0.2 . 1 . . . . . . . . 5300 1 445 . 1 1 85 85 GLU H H 1 7.69 0.01 . 1 . . . . . . . . 5300 1 446 . 1 1 85 85 GLU HA H 1 3.73 0.05 . 1 . . . . . . . . 5300 1 447 . 1 1 85 85 GLU CA C 13 59.5 0.2 . 1 . . . . . . . . 5300 1 448 . 1 1 85 85 GLU CB C 13 30.2 0.2 . 1 . . . . . . . . 5300 1 449 . 1 1 85 85 GLU N N 15 119.2 0.2 . 1 . . . . . . . . 5300 1 450 . 1 1 86 86 THR C C 13 178.9 0.2 . 1 . . . . . . . . 5300 1 451 . 1 1 86 86 THR H H 1 8.58 0.01 . 1 . . . . . . . . 5300 1 452 . 1 1 86 86 THR HA H 1 3.52 0.05 . 1 . . . . . . . . 5300 1 453 . 1 1 86 86 THR CA C 13 67.7 0.2 . 1 . . . . . . . . 5300 1 454 . 1 1 86 86 THR CB C 13 67.7 0.2 . 1 . . . . . . . . 5300 1 455 . 1 1 86 86 THR N N 15 119.2 0.2 . 1 . . . . . . . . 5300 1 456 . 1 1 87 87 LYS C C 13 176.0 0.2 . 1 . . . . . . . . 5300 1 457 . 1 1 87 87 LYS H H 1 8.46 0.01 . 1 . . . . . . . . 5300 1 458 . 1 1 87 87 LYS HA H 1 4.10 0.05 . 1 . . . . . . . . 5300 1 459 . 1 1 87 87 LYS CA C 13 59.0 0.2 . 1 . . . . . . . . 5300 1 460 . 1 1 87 87 LYS CB C 13 31.3 0.2 . 1 . . . . . . . . 5300 1 461 . 1 1 87 87 LYS N N 15 118.9 0.2 . 1 . . . . . . . . 5300 1 462 . 1 1 88 88 LYS C C 13 177.2 0.2 . 1 . . . . . . . . 5300 1 463 . 1 1 88 88 LYS H H 1 8.28 0.01 . 1 . . . . . . . . 5300 1 464 . 1 1 88 88 LYS CA C 13 59.1 0.2 . 1 . . . . . . . . 5300 1 465 . 1 1 88 88 LYS CB C 13 31.4 0.2 . 1 . . . . . . . . 5300 1 466 . 1 1 88 88 LYS N N 15 121.8 0.2 . 1 . . . . . . . . 5300 1 467 . 1 1 89 89 VAL C C 13 179.1 0.2 . 1 . . . . . . . . 5300 1 468 . 1 1 89 89 VAL H H 1 6.97 0.01 . 1 . . . . . . . . 5300 1 469 . 1 1 89 89 VAL HA H 1 4.19 0.05 . 1 . . . . . . . . 5300 1 470 . 1 1 89 89 VAL CA C 13 60.3 0.2 . 1 . . . . . . . . 5300 1 471 . 1 1 89 89 VAL CB C 13 32.7 0.2 . 1 . . . . . . . . 5300 1 472 . 1 1 89 89 VAL N N 15 117.1 0.2 . 1 . . . . . . . . 5300 1 473 . 1 1 90 90 LEU C C 13 173.9 0.2 . 1 . . . . . . . . 5300 1 474 . 1 1 90 90 LEU H H 1 8.26 0.01 . 1 . . . . . . . . 5300 1 475 . 1 1 90 90 LEU HA H 1 4.75 0.05 . 1 . . . . . . . . 5300 1 476 . 1 1 90 90 LEU CA C 13 52.9 0.2 . 1 . . . . . . . . 5300 1 477 . 1 1 90 90 LEU CB C 13 45.8 0.2 . 1 . . . . . . . . 5300 1 478 . 1 1 90 90 LEU N N 15 119.9 0.2 . 1 . . . . . . . . 5300 1 479 . 1 1 91 91 ALA C C 13 177.8 0.2 . 1 . . . . . . . . 5300 1 480 . 1 1 91 91 ALA H H 1 8.14 0.01 . 1 . . . . . . . . 5300 1 481 . 1 1 91 91 ALA HA H 1 4.30 0.05 . 1 . . . . . . . . 5300 1 482 . 1 1 91 91 ALA CA C 13 52.9 0.2 . 1 . . . . . . . . 5300 1 483 . 1 1 91 91 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 5300 1 484 . 1 1 91 91 ALA N N 15 123.6 0.2 . 1 . . . . . . . . 5300 1 485 . 1 1 92 92 PHE C C 13 179.8 0.2 . 1 . . . . . . . . 5300 1 486 . 1 1 92 92 PHE H H 1 8.10 0.01 . 1 . . . . . . . . 5300 1 487 . 1 1 92 92 PHE HA H 1 4.63 0.05 . 1 . . . . . . . . 5300 1 488 . 1 1 92 92 PHE CA C 13 58.4 0.2 . 1 . . . . . . . . 5300 1 489 . 1 1 92 92 PHE CB C 13 38.8 0.2 . 1 . . . . . . . . 5300 1 490 . 1 1 92 92 PHE N N 15 119.6 0.2 . 1 . . . . . . . . 5300 1 491 . 1 1 93 93 VAL C C 13 177.7 0.2 . 1 . . . . . . . . 5300 1 492 . 1 1 93 93 VAL H H 1 8.79 0.01 . 1 . . . . . . . . 5300 1 493 . 1 1 93 93 VAL HA H 1 3.92 0.05 . 1 . . . . . . . . 5300 1 494 . 1 1 93 93 VAL CA C 13 67.3 0.2 . 1 . . . . . . . . 5300 1 495 . 1 1 93 93 VAL CB C 13 31.9 0.2 . 1 . . . . . . . . 5300 1 496 . 1 1 93 93 VAL N N 15 123.1 0.2 . 1 . . . . . . . . 5300 1 497 . 1 1 94 94 ALA C C 13 178.9 0.2 . 1 . . . . . . . . 5300 1 498 . 1 1 94 94 ALA H H 1 8.44 0.01 . 1 . . . . . . . . 5300 1 499 . 1 1 94 94 ALA HA H 1 3.80 0.05 . 1 . . . . . . . . 5300 1 500 . 1 1 94 94 ALA CA C 13 56.0 0.2 . 1 . . . . . . . . 5300 1 501 . 1 1 94 94 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 5300 1 502 . 1 1 94 94 ALA N N 15 121.5 0.2 . 1 . . . . . . . . 5300 1 503 . 1 1 95 95 GLU C C 13 174.0 0.2 . 1 . . . . . . . . 5300 1 504 . 1 1 95 95 GLU H H 1 8.18 0.01 . 1 . . . . . . . . 5300 1 505 . 1 1 95 95 GLU HA H 1 3.90 0.05 . 1 . . . . . . . . 5300 1 506 . 1 1 95 95 GLU CA C 13 60.3 0.2 . 1 . . . . . . . . 5300 1 507 . 1 1 95 95 GLU CB C 13 30.2 0.2 . 1 . . . . . . . . 5300 1 508 . 1 1 95 95 GLU N N 15 118.2 0.2 . 1 . . . . . . . . 5300 1 509 . 1 1 96 96 ASP C C 13 176.0 0.2 . 1 . . . . . . . . 5300 1 510 . 1 1 96 96 ASP H H 1 8.01 0.01 . 1 . . . . . . . . 5300 1 511 . 1 1 96 96 ASP HA H 1 4.61 0.05 . 1 . . . . . . . . 5300 1 512 . 1 1 96 96 ASP CA C 13 58.5 0.2 . 1 . . . . . . . . 5300 1 513 . 1 1 96 96 ASP CB C 13 39.3 0.2 . 1 . . . . . . . . 5300 1 514 . 1 1 96 96 ASP N N 15 120.7 0.2 . 1 . . . . . . . . 5300 1 515 . 1 1 97 97 ARG C C 13 178.6 0.2 . 1 . . . . . . . . 5300 1 516 . 1 1 97 97 ARG H H 1 8.12 0.01 . 1 . . . . . . . . 5300 1 517 . 1 1 97 97 ARG CA C 13 58.4 0.2 . 1 . . . . . . . . 5300 1 518 . 1 1 97 97 ARG CB C 13 29.3 0.2 . 1 . . . . . . . . 5300 1 519 . 1 1 97 97 ARG N N 15 123.2 0.2 . 1 . . . . . . . . 5300 1 520 . 1 1 98 98 ALA H H 1 8.77 0.01 . 1 . . . . . . . . 5300 1 521 . 1 1 98 98 ALA HA H 1 4.58 0.05 . 1 . . . . . . . . 5300 1 522 . 1 1 98 98 ALA CA C 13 54.9 0.2 . 1 . . . . . . . . 5300 1 523 . 1 1 98 98 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 5300 1 524 . 1 1 98 98 ALA N N 15 122.7 0.2 . 1 . . . . . . . . 5300 1 525 . 1 1 99 99 ARG C C 13 178.6 0.2 . 1 . . . . . . . . 5300 1 526 . 1 1 99 99 ARG H H 1 7.91 0.01 . 1 . . . . . . . . 5300 1 527 . 1 1 99 99 ARG HA H 1 4.12 0.05 . 1 . . . . . . . . 5300 1 528 . 1 1 99 99 ARG CA C 13 60.0 0.2 . 1 . . . . . . . . 5300 1 529 . 1 1 99 99 ARG CB C 13 30.5 0.2 . 1 . . . . . . . . 5300 1 530 . 1 1 99 99 ARG N N 15 118.8 0.2 . 1 . . . . . . . . 5300 1 531 . 1 1 100 100 GLN C C 13 178.3 0.2 . 1 . . . . . . . . 5300 1 532 . 1 1 100 100 GLN H H 1 7.51 0.01 . 1 . . . . . . . . 5300 1 533 . 1 1 100 100 GLN HA H 1 4.37 0.05 . 1 . . . . . . . . 5300 1 534 . 1 1 100 100 GLN CA C 13 57.8 0.2 . 1 . . . . . . . . 5300 1 535 . 1 1 100 100 GLN CB C 13 30.0 0.2 . 1 . . . . . . . . 5300 1 536 . 1 1 100 100 GLN N N 15 115.9 0.2 . 1 . . . . . . . . 5300 1 537 . 1 1 101 101 SER C C 13 176.2 0.2 . 1 . . . . . . . . 5300 1 538 . 1 1 101 101 SER H H 1 9.23 0.01 . 1 . . . . . . . . 5300 1 539 . 1 1 101 101 SER HA H 1 4.25 0.05 . 1 . . . . . . . . 5300 1 540 . 1 1 101 101 SER CA C 13 59.8 0.2 . 1 . . . . . . . . 5300 1 541 . 1 1 101 101 SER CB C 13 64.8 0.2 . 1 . . . . . . . . 5300 1 542 . 1 1 101 101 SER N N 15 116.7 0.2 . 1 . . . . . . . . 5300 1 543 . 1 1 102 102 LYS C C 13 176.3 0.2 . 1 . . . . . . . . 5300 1 544 . 1 1 102 102 LYS H H 1 8.45 0.01 . 1 . . . . . . . . 5300 1 545 . 1 1 102 102 LYS HA H 1 4.00 0.05 . 1 . . . . . . . . 5300 1 546 . 1 1 102 102 LYS CA C 13 58.2 0.2 . 1 . . . . . . . . 5300 1 547 . 1 1 102 102 LYS CB C 13 29.2 0.2 . 1 . . . . . . . . 5300 1 548 . 1 1 102 102 LYS N N 15 116.3 0.2 . 1 . . . . . . . . 5300 1 549 . 1 1 103 103 LYS H H 1 7.99 0.01 . 1 . . . . . . . . 5300 1 550 . 1 1 103 103 LYS HA H 1 4.67 0.05 . 1 . . . . . . . . 5300 1 551 . 1 1 103 103 LYS CA C 13 55.2 0.2 . 1 . . . . . . . . 5300 1 552 . 1 1 103 103 LYS CB C 13 32.6 0.2 . 1 . . . . . . . . 5300 1 553 . 1 1 103 103 LYS N N 15 121.3 0.2 . 1 . . . . . . . . 5300 1 554 . 1 1 104 104 PRO C C 13 177.9 0.2 . 1 . . . . . . . . 5300 1 555 . 1 1 104 104 PRO CA C 13 63.1 0.2 . 1 . . . . . . . . 5300 1 556 . 1 1 104 104 PRO CB C 13 33.1 0.2 . 1 . . . . . . . . 5300 1 557 . 1 1 105 105 ILE C C 13 178.1 0.2 . 1 . . . . . . . . 5300 1 558 . 1 1 105 105 ILE H H 1 8.26 0.01 . 1 . . . . . . . . 5300 1 559 . 1 1 105 105 ILE HA H 1 3.30 0.05 . 1 . . . . . . . . 5300 1 560 . 1 1 105 105 ILE CA C 13 66.5 0.2 . 1 . . . . . . . . 5300 1 561 . 1 1 105 105 ILE CB C 13 38.3 0.2 . 1 . . . . . . . . 5300 1 562 . 1 1 105 105 ILE N N 15 123.4 0.2 . 1 . . . . . . . . 5300 1 563 . 1 1 106 106 GLN C C 13 177.2 0.2 . 1 . . . . . . . . 5300 1 564 . 1 1 106 106 GLN H H 1 8.82 0.01 . 1 . . . . . . . . 5300 1 565 . 1 1 106 106 GLN HA H 1 3.62 0.05 . 1 . . . . . . . . 5300 1 566 . 1 1 106 106 GLN CA C 13 58.5 0.2 . 1 . . . . . . . . 5300 1 567 . 1 1 106 106 GLN CB C 13 29.7 0.2 . 1 . . . . . . . . 5300 1 568 . 1 1 106 106 GLN N N 15 117.7 0.2 . 1 . . . . . . . . 5300 1 569 . 1 1 107 107 ASP H H 1 6.99 0.01 . 1 . . . . . . . . 5300 1 570 . 1 1 107 107 ASP HA H 1 4.34 0.05 . 1 . . . . . . . . 5300 1 571 . 1 1 107 107 ASP CA C 13 57.8 0.2 . 1 . . . . . . . . 5300 1 572 . 1 1 107 107 ASP CB C 13 40.6 0.2 . 1 . . . . . . . . 5300 1 573 . 1 1 107 107 ASP N N 15 117.0 0.2 . 1 . . . . . . . . 5300 1 574 . 1 1 108 108 GLU C C 13 179.9 0.2 . 1 . . . . . . . . 5300 1 575 . 1 1 108 108 GLU H H 1 7.34 0.01 . 1 . . . . . . . . 5300 1 576 . 1 1 108 108 GLU HA H 1 4.79 0.05 . 1 . . . . . . . . 5300 1 577 . 1 1 108 108 GLU CA C 13 57.8 0.2 . 1 . . . . . . . . 5300 1 578 . 1 1 108 108 GLU CB C 13 29.1 0.2 . 1 . . . . . . . . 5300 1 579 . 1 1 108 108 GLU N N 15 118.6 0.2 . 1 . . . . . . . . 5300 1 580 . 1 1 109 109 LEU C C 13 178.5 0.2 . 1 . . . . . . . . 5300 1 581 . 1 1 109 109 LEU H H 1 8.73 0.01 . 1 . . . . . . . . 5300 1 582 . 1 1 109 109 LEU HA H 1 3.96 0.05 . 1 . . . . . . . . 5300 1 583 . 1 1 109 109 LEU CA C 13 58.1 0.2 . 1 . . . . . . . . 5300 1 584 . 1 1 109 109 LEU CB C 13 41.6 0.2 . 1 . . . . . . . . 5300 1 585 . 1 1 109 109 LEU N N 15 122.2 0.2 . 1 . . . . . . . . 5300 1 586 . 1 1 110 110 ASP C C 13 178.0 0.2 . 1 . . . . . . . . 5300 1 587 . 1 1 110 110 ASP H H 1 8.65 0.01 . 1 . . . . . . . . 5300 1 588 . 1 1 110 110 ASP HA H 1 4.32 0.05 . 1 . . . . . . . . 5300 1 589 . 1 1 110 110 ASP CA C 13 57.3 0.2 . 1 . . . . . . . . 5300 1 590 . 1 1 110 110 ASP CB C 13 40.2 0.2 . 1 . . . . . . . . 5300 1 591 . 1 1 110 110 ASP N N 15 120.5 0.2 . 1 . . . . . . . . 5300 1 592 . 1 1 111 111 ALA H H 1 7.30 0.01 . 1 . . . . . . . . 5300 1 593 . 1 1 111 111 ALA HA H 1 4.18 0.05 . 1 . . . . . . . . 5300 1 594 . 1 1 111 111 ALA CA C 13 55.2 0.2 . 1 . . . . . . . . 5300 1 595 . 1 1 111 111 ALA CB C 13 18.6 0.2 . 1 . . . . . . . . 5300 1 596 . 1 1 111 111 ALA N N 15 120.2 0.2 . 1 . . . . . . . . 5300 1 597 . 1 1 112 112 ILE C C 13 178.3 0.2 . 1 . . . . . . . . 5300 1 598 . 1 1 112 112 ILE H H 1 7.38 0.01 . 1 . . . . . . . . 5300 1 599 . 1 1 112 112 ILE HA H 1 3.64 0.05 . 1 . . . . . . . . 5300 1 600 . 1 1 112 112 ILE CA C 13 65.5 0.2 . 1 . . . . . . . . 5300 1 601 . 1 1 112 112 ILE CB C 13 39.7 0.2 . 1 . . . . . . . . 5300 1 602 . 1 1 112 112 ILE N N 15 118.0 0.2 . 1 . . . . . . . . 5300 1 603 . 1 1 113 113 THR C C 13 175.5 0.2 . 1 . . . . . . . . 5300 1 604 . 1 1 113 113 THR H H 1 9.28 0.01 . 1 . . . . . . . . 5300 1 605 . 1 1 113 113 THR HA H 1 3.90 0.05 . 1 . . . . . . . . 5300 1 606 . 1 1 113 113 THR CA C 13 66.2 0.2 . 1 . . . . . . . . 5300 1 607 . 1 1 113 113 THR CB C 13 68.9 0.2 . 1 . . . . . . . . 5300 1 608 . 1 1 113 113 THR N N 15 112.3 0.2 . 1 . . . . . . . . 5300 1 609 . 1 1 114 114 GLU C C 13 179.1 0.2 . 1 . . . . . . . . 5300 1 610 . 1 1 114 114 GLU H H 1 8.39 0.01 . 1 . . . . . . . . 5300 1 611 . 1 1 114 114 GLU HA H 1 4.13 0.05 . 1 . . . . . . . . 5300 1 612 . 1 1 114 114 GLU CA C 13 59.8 0.2 . 1 . . . . . . . . 5300 1 613 . 1 1 114 114 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 5300 1 614 . 1 1 114 114 GLU N N 15 122.2 0.2 . 1 . . . . . . . . 5300 1 615 . 1 1 115 115 LYS H H 1 6.75 0.01 . 1 . . . . . . . . 5300 1 616 . 1 1 115 115 LYS HA H 1 4.07 0.05 . 1 . . . . . . . . 5300 1 617 . 1 1 115 115 LYS CA C 13 59.5 0.2 . 1 . . . . . . . . 5300 1 618 . 1 1 115 115 LYS CB C 13 33.5 0.2 . 1 . . . . . . . . 5300 1 619 . 1 1 115 115 LYS N N 15 116.0 0.2 . 1 . . . . . . . . 5300 1 620 . 1 1 116 116 LEU C C 13 179.1 0.2 . 1 . . . . . . . . 5300 1 621 . 1 1 116 116 LEU H H 1 7.75 0.01 . 1 . . . . . . . . 5300 1 622 . 1 1 116 116 LEU HA H 1 3.70 0.05 . 1 . . . . . . . . 5300 1 623 . 1 1 116 116 LEU CA C 13 57.9 0.2 . 1 . . . . . . . . 5300 1 624 . 1 1 116 116 LEU CB C 13 42.3 0.2 . 1 . . . . . . . . 5300 1 625 . 1 1 116 116 LEU N N 15 119.0 0.2 . 1 . . . . . . . . 5300 1 626 . 1 1 117 117 ALA C C 13 178.1 0.2 . 1 . . . . . . . . 5300 1 627 . 1 1 117 117 ALA H H 1 8.59 0.01 . 1 . . . . . . . . 5300 1 628 . 1 1 117 117 ALA HA H 1 4.08 0.05 . 1 . . . . . . . . 5300 1 629 . 1 1 117 117 ALA CA C 13 54.7 0.2 . 1 . . . . . . . . 5300 1 630 . 1 1 117 117 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 5300 1 631 . 1 1 117 117 ALA N N 15 118.7 0.2 . 1 . . . . . . . . 5300 1 632 . 1 1 118 118 LYS C C 13 176.6 0.2 . 1 . . . . . . . . 5300 1 633 . 1 1 118 118 LYS H H 1 6.84 0.01 . 1 . . . . . . . . 5300 1 634 . 1 1 118 118 LYS HA H 1 4.43 0.05 . 1 . . . . . . . . 5300 1 635 . 1 1 118 118 LYS CA C 13 56.2 0.2 . 1 . . . . . . . . 5300 1 636 . 1 1 118 118 LYS CB C 13 34.2 0.2 . 1 . . . . . . . . 5300 1 637 . 1 1 118 118 LYS N N 15 111.6 0.2 . 1 . . . . . . . . 5300 1 638 . 1 1 119 119 LEU C C 13 177.7 0.2 . 1 . . . . . . . . 5300 1 639 . 1 1 119 119 LEU H H 1 6.98 0.01 . 1 . . . . . . . . 5300 1 640 . 1 1 119 119 LEU HA H 1 4.48 0.05 . 1 . . . . . . . . 5300 1 641 . 1 1 119 119 LEU CA C 13 56.0 0.2 . 1 . . . . . . . . 5300 1 642 . 1 1 119 119 LEU CB C 13 42.8 0.2 . 1 . . . . . . . . 5300 1 643 . 1 1 119 119 LEU N N 15 123.1 0.2 . 1 . . . . . . . . 5300 1 644 . 1 1 120 120 GLU C C 13 175.5 0.2 . 1 . . . . . . . . 5300 1 645 . 1 1 120 120 GLU H H 1 9.04 0.01 . 1 . . . . . . . . 5300 1 646 . 1 1 120 120 GLU HA H 1 4.29 0.05 . 1 . . . . . . . . 5300 1 647 . 1 1 120 120 GLU CA C 13 57.4 0.2 . 1 . . . . . . . . 5300 1 648 . 1 1 120 120 GLU CB C 13 31.2 0.2 . 1 . . . . . . . . 5300 1 649 . 1 1 120 120 GLU N N 15 130.7 0.2 . 1 . . . . . . . . 5300 1 650 . 1 1 121 121 ALA H H 1 8.39 0.01 . 1 . . . . . . . . 5300 1 651 . 1 1 121 121 ALA CA C 13 50.8 0.2 . 1 . . . . . . . . 5300 1 652 . 1 1 121 121 ALA CB C 13 19.8 0.2 . 1 . . . . . . . . 5300 1 653 . 1 1 121 121 ALA N N 15 122.3 0.2 . 1 . . . . . . . . 5300 1 654 . 1 1 122 122 PRO C C 13 177.6 0.2 . 1 . . . . . . . . 5300 1 655 . 1 1 122 122 PRO HA H 1 5.72 0.05 . 1 . . . . . . . . 5300 1 656 . 1 1 123 123 SER C C 13 175.2 0.2 . 1 . . . . . . . . 5300 1 657 . 1 1 123 123 SER H H 1 8.13 0.01 . 1 . . . . . . . . 5300 1 658 . 1 1 123 123 SER HA H 1 4.40 0.05 . 1 . . . . . . . . 5300 1 659 . 1 1 123 123 SER CA C 13 62.1 0.2 . 1 . . . . . . . . 5300 1 660 . 1 1 123 123 SER CB C 13 65.8 0.2 . 1 . . . . . . . . 5300 1 661 . 1 1 123 123 SER N N 15 122.8 0.2 . 1 . . . . . . . . 5300 1 662 . 1 1 124 124 VAL C C 13 175.0 0.2 . 1 . . . . . . . . 5300 1 663 . 1 1 124 124 VAL H H 1 8.24 0.01 . 1 . . . . . . . . 5300 1 664 . 1 1 124 124 VAL HA H 1 4.31 0.05 . 1 . . . . . . . . 5300 1 665 . 1 1 124 124 VAL CA C 13 62.8 0.2 . 1 . . . . . . . . 5300 1 666 . 1 1 124 124 VAL CB C 13 33.8 0.2 . 1 . . . . . . . . 5300 1 667 . 1 1 124 124 VAL N N 15 116.3 0.2 . 1 . . . . . . . . 5300 1 668 . 1 1 125 125 GLY HA2 H 1 3.97 0.01 . 1 . . . . . . . . 5300 1 669 . 1 1 125 125 GLY C C 13 175.0 0.2 . 1 . . . . . . . . 5300 1 670 . 1 1 125 125 GLY H H 1 8.41 0.01 . 1 . . . . . . . . 5300 1 671 . 1 1 125 125 GLY CA C 13 46.0 0.2 . 1 . . . . . . . . 5300 1 672 . 1 1 125 125 GLY N N 15 123.3 0.2 . 1 . . . . . . . . 5300 1 673 . 1 1 126 126 GLY HA2 H 1 4.23 0.01 . 1 . . . . . . . . 5300 1 674 . 1 1 126 126 GLY C C 13 173.9 0.2 . 1 . . . . . . . . 5300 1 675 . 1 1 126 126 GLY H H 1 8.27 0.01 . 1 . . . . . . . . 5300 1 676 . 1 1 126 126 GLY HA3 H 1 3.94 0.01 . 1 . . . . . . . . 5300 1 677 . 1 1 126 126 GLY CA C 13 46.0 0.2 . 1 . . . . . . . . 5300 1 678 . 1 1 126 126 GLY N N 15 109.3 0.2 . 1 . . . . . . . . 5300 1 679 . 1 1 127 127 ALA C C 13 178.2 0.2 . 1 . . . . . . . . 5300 1 680 . 1 1 127 127 ALA H H 1 8.05 0.01 . 1 . . . . . . . . 5300 1 681 . 1 1 127 127 ALA HA H 1 4.25 0.05 . 1 . . . . . . . . 5300 1 682 . 1 1 127 127 ALA CA C 13 53.0 0.2 . 1 . . . . . . . . 5300 1 683 . 1 1 127 127 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 5300 1 684 . 1 1 127 127 ALA N N 15 123.7 0.2 . 1 . . . . . . . . 5300 1 685 . 1 1 128 128 ALA C C 13 174.8 0.2 . 1 . . . . . . . . 5300 1 686 . 1 1 128 128 ALA H H 1 8.35 0.01 . 1 . . . . . . . . 5300 1 687 . 1 1 128 128 ALA HA H 1 4.20 0.05 . 1 . . . . . . . . 5300 1 688 . 1 1 128 128 ALA CA C 13 53.2 0.2 . 1 . . . . . . . . 5300 1 689 . 1 1 128 128 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 5300 1 690 . 1 1 128 128 ALA N N 15 118.7 0.2 . 1 . . . . . . . . 5300 1 691 . 1 1 129 129 LYS C C 13 177.5 0.2 . 1 . . . . . . . . 5300 1 692 . 1 1 129 129 LYS H H 1 8.19 0.01 . 1 . . . . . . . . 5300 1 693 . 1 1 129 129 LYS HA H 1 4.29 0.05 . 1 . . . . . . . . 5300 1 694 . 1 1 129 129 LYS CA C 13 57.0 0.2 . 1 . . . . . . . . 5300 1 695 . 1 1 129 129 LYS CB C 13 33.4 0.2 . 1 . . . . . . . . 5300 1 696 . 1 1 129 129 LYS N N 15 120.8 0.2 . 1 . . . . . . . . 5300 1 697 . 1 1 130 130 ALA H H 1 8.48 0.01 . 1 . . . . . . . . 5300 1 698 . 1 1 130 130 ALA CA C 13 45.8 0.2 . 1 . . . . . . . . 5300 1 699 . 1 1 130 130 ALA N N 15 110.2 0.2 . 1 . . . . . . . . 5300 1 700 . 1 1 131 131 ASN CA C 13 56.2 0.2 . 1 . . . . . . . . 5300 1 701 . 1 1 131 131 ASN CB C 13 39.9 0.2 . 1 . . . . . . . . 5300 1 702 . 1 1 132 132 ALA C C 13 174.4 0.2 . 1 . . . . . . . . 5300 1 703 . 1 1 132 132 ALA H H 1 8.12 0.01 . 1 . . . . . . . . 5300 1 704 . 1 1 132 132 ALA HA H 1 4.49 0.05 . 1 . . . . . . . . 5300 1 705 . 1 1 132 132 ALA CA C 13 53.0 0.2 . 1 . . . . . . . . 5300 1 706 . 1 1 132 132 ALA CB C 13 19.6 0.2 . 1 . . . . . . . . 5300 1 707 . 1 1 132 132 ALA N N 15 119.6 0.2 . 1 . . . . . . . . 5300 1 708 . 1 1 133 133 ALA C C 13 176.0 0.2 . 1 . . . . . . . . 5300 1 709 . 1 1 133 133 ALA H H 1 8.18 0.01 . 1 . . . . . . . . 5300 1 710 . 1 1 133 133 ALA HA H 1 2.31 0.05 . 1 . . . . . . . . 5300 1 711 . 1 1 133 133 ALA CA C 13 53.1 0.2 . 1 . . . . . . . . 5300 1 712 . 1 1 133 133 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 5300 1 713 . 1 1 133 133 ALA N N 15 122.8 0.2 . 1 . . . . . . . . 5300 1 714 . 1 1 134 134 GLY HA2 H 1 4.40 0.01 . 1 . . . . . . . . 5300 1 715 . 1 1 134 134 GLY H H 1 8.13 0.01 . 1 . . . . . . . . 5300 1 716 . 1 1 134 134 GLY CA C 13 45.9 0.2 . 1 . . . . . . . . 5300 1 717 . 1 1 134 134 GLY N N 15 123.0 0.2 . 1 . . . . . . . . 5300 1 718 . 1 1 135 135 VAL C C 13 175.1 0.2 . 1 . . . . . . . . 5300 1 719 . 1 1 135 135 VAL H H 1 7.75 0.01 . 1 . . . . . . . . 5300 1 720 . 1 1 135 135 VAL HA H 1 4.07 0.05 . 1 . . . . . . . . 5300 1 721 . 1 1 135 135 VAL CA C 13 62.8 0.2 . 1 . . . . . . . . 5300 1 722 . 1 1 135 135 VAL CB C 13 33.1 0.2 . 1 . . . . . . . . 5300 1 723 . 1 1 135 135 VAL N N 15 119.7 0.2 . 1 . . . . . . . . 5300 1 724 . 1 1 136 136 TYR H H 1 7.76 0.01 . 1 . . . . . . . . 5300 1 725 . 1 1 136 136 TYR CA C 13 59.6 0.2 . 1 . . . . . . . . 5300 1 726 . 1 1 136 136 TYR CB C 13 40.2 0.2 . 1 . . . . . . . . 5300 1 727 . 1 1 136 136 TYR N N 15 128.9 0.2 . 1 . . . . . . . . 5300 1 728 . 1 1 137 137 SER C C 13 174.4 0.2 . 1 . . . . . . . . 5300 1 729 . 1 1 137 137 SER HA H 1 3.81 0.05 . 1 . . . . . . . . 5300 1 730 . 1 1 137 137 SER CA C 13 59.2 0.2 . 1 . . . . . . . . 5300 1 731 . 1 1 137 137 SER CB C 13 62.1 0.2 . 1 . . . . . . . . 5300 1 732 . 1 1 138 138 ARG C C 13 175.4 0.2 . 1 . . . . . . . . 5300 1 733 . 1 1 138 138 ARG H H 1 8.18 0.01 . 1 . . . . . . . . 5300 1 734 . 1 1 138 138 ARG HA H 1 5.07 0.05 . 1 . . . . . . . . 5300 1 735 . 1 1 138 138 ARG CA C 13 53.3 0.2 . 1 . . . . . . . . 5300 1 736 . 1 1 138 138 ARG CB C 13 31.1 0.2 . 1 . . . . . . . . 5300 1 737 . 1 1 138 138 ARG N N 15 122.8 0.2 . 1 . . . . . . . . 5300 1 738 . 1 1 139 139 LEU C C 13 177.9 0.2 . 1 . . . . . . . . 5300 1 739 . 1 1 139 139 LEU H H 1 8.21 0.01 . 1 . . . . . . . . 5300 1 740 . 1 1 139 139 LEU HA H 1 4.30 0.05 . 1 . . . . . . . . 5300 1 741 . 1 1 139 139 LEU CA C 13 56.1 0.2 . 1 . . . . . . . . 5300 1 742 . 1 1 139 139 LEU CB C 13 42.7 0.2 . 1 . . . . . . . . 5300 1 743 . 1 1 139 139 LEU N N 15 122.8 0.2 . 1 . . . . . . . . 5300 1 744 . 1 1 140 140 THR H H 1 7.99 0.01 . 1 . . . . . . . . 5300 1 745 . 1 1 140 140 THR HA H 1 4.28 0.05 . 1 . . . . . . . . 5300 1 746 . 1 1 140 140 THR CA C 13 62.3 0.2 . 1 . . . . . . . . 5300 1 747 . 1 1 140 140 THR CB C 13 70.2 0.2 . 1 . . . . . . . . 5300 1 748 . 1 1 140 140 THR N N 15 113.8 0.2 . 1 . . . . . . . . 5300 1 749 . 1 1 141 141 ASP CA C 13 54.7 0.2 . 1 . . . . . . . . 5300 1 750 . 1 1 141 141 ASP CB C 13 41.6 0.2 . 1 . . . . . . . . 5300 1 751 . 1 1 142 142 HIS C C 13 176.0 0.2 . 1 . . . . . . . . 5300 1 752 . 1 1 142 142 HIS H H 1 8.40 0.01 . 1 . . . . . . . . 5300 1 753 . 1 1 142 142 HIS HA H 1 4.63 0.05 . 1 . . . . . . . . 5300 1 754 . 1 1 142 142 HIS CA C 13 57.0 0.2 . 1 . . . . . . . . 5300 1 755 . 1 1 142 142 HIS CB C 13 30.3 0.2 . 1 . . . . . . . . 5300 1 756 . 1 1 142 142 HIS N N 15 120.8 0.2 . 1 . . . . . . . . 5300 1 757 . 1 1 143 143 THR C C 13 175.0 0.2 . 1 . . . . . . . . 5300 1 758 . 1 1 143 143 THR H H 1 8.17 0.01 . 1 . . . . . . . . 5300 1 759 . 1 1 143 143 THR CA C 13 63.5 0.2 . 1 . . . . . . . . 5300 1 760 . 1 1 143 143 THR CB C 13 70.1 0.2 . 1 . . . . . . . . 5300 1 761 . 1 1 143 143 THR N N 15 115.0 0.2 . 1 . . . . . . . . 5300 1 762 . 1 1 144 144 LYS C C 13 176.4 0.2 . 1 . . . . . . . . 5300 1 763 . 1 1 144 144 LYS H H 1 8.09 0.01 . 1 . . . . . . . . 5300 1 764 . 1 1 144 144 LYS HA H 1 3.22 0.05 . 1 . . . . . . . . 5300 1 765 . 1 1 144 144 LYS CA C 13 56.9 0.2 . 1 . . . . . . . . 5300 1 766 . 1 1 144 144 LYS CB C 13 33.3 0.2 . 1 . . . . . . . . 5300 1 767 . 1 1 144 144 LYS N N 15 123.2 0.2 . 1 . . . . . . . . 5300 1 768 . 1 1 145 145 TYR C C 13 177.1 0.2 . 1 . . . . . . . . 5300 1 769 . 1 1 145 145 TYR H H 1 8.14 0.01 . 1 . . . . . . . . 5300 1 770 . 1 1 145 145 TYR HA H 1 4.47 0.05 . 1 . . . . . . . . 5300 1 771 . 1 1 145 145 TYR CA C 13 58.4 0.2 . 1 . . . . . . . . 5300 1 772 . 1 1 145 145 TYR CB C 13 33.3 0.2 . 1 . . . . . . . . 5300 1 773 . 1 1 145 145 TYR N N 15 121.5 0.2 . 1 . . . . . . . . 5300 1 774 . 1 1 146 146 THR H H 1 8.43 0.01 . 1 . . . . . . . . 5300 1 775 . 1 1 146 146 THR HA H 1 4.45 0.05 . 1 . . . . . . . . 5300 1 776 . 1 1 146 146 THR CA C 13 59.0 0.2 . 1 . . . . . . . . 5300 1 777 . 1 1 146 146 THR CB C 13 64.4 0.2 . 1 . . . . . . . . 5300 1 778 . 1 1 146 146 THR N N 15 117.1 0.2 . 1 . . . . . . . . 5300 1 779 . 1 1 147 147 GLY H H 1 8.43 0.01 . 1 . . . . . . . . 5300 1 780 . 1 1 147 147 GLY CA C 13 45.8 0.2 . 1 . . . . . . . . 5300 1 781 . 1 1 147 147 GLY N N 15 111.1 0.2 . 1 . . . . . . . . 5300 1 782 . 1 1 148 148 ALA C C 13 177.5 0.2 . 1 . . . . . . . . 5300 1 783 . 1 1 148 148 ALA HA H 1 3.76 0.05 . 1 . . . . . . . . 5300 1 784 . 1 1 148 148 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 5300 1 785 . 1 1 148 148 ALA CB C 13 19.8 0.2 . 1 . . . . . . . . 5300 1 786 . 1 1 149 149 HIS C C 13 176.0 0.2 . 1 . . . . . . . . 5300 1 787 . 1 1 149 149 HIS H H 1 8.06 0.01 . 1 . . . . . . . . 5300 1 788 . 1 1 149 149 HIS HA H 1 4.23 0.05 . 1 . . . . . . . . 5300 1 789 . 1 1 149 149 HIS CA C 13 56.7 0.2 . 1 . . . . . . . . 5300 1 790 . 1 1 149 149 HIS CB C 13 33.3 0.2 . 1 . . . . . . . . 5300 1 791 . 1 1 149 149 HIS N N 15 123.0 0.2 . 1 . . . . . . . . 5300 1 792 . 1 1 150 150 LYS H H 1 8.29 0.01 . 1 . . . . . . . . 5300 1 793 . 1 1 150 150 LYS CA C 13 56.7 0.2 . 1 . . . . . . . . 5300 1 794 . 1 1 150 150 LYS CB C 13 39.5 0.2 . 1 . . . . . . . . 5300 1 795 . 1 1 150 150 LYS N N 15 119.8 0.2 . 1 . . . . . . . . 5300 1 796 . 1 1 151 151 GLU C C 13 178.7 0.2 . 1 . . . . . . . . 5300 1 797 . 1 1 151 151 GLU HA H 1 5.34 0.05 . 1 . . . . . . . . 5300 1 798 . 1 1 151 151 GLU CA C 13 51.1 0.2 . 1 . . . . . . . . 5300 1 799 . 1 1 152 152 ARG H H 1 9.26 0.01 . 1 . . . . . . . . 5300 1 800 . 1 1 152 152 ARG HA H 1 4.87 0.05 . 1 . . . . . . . . 5300 1 801 . 1 1 152 152 ARG CA C 13 61.9 0.2 . 1 . . . . . . . . 5300 1 802 . 1 1 152 152 ARG CB C 13 24.5 0.2 . 1 . . . . . . . . 5300 1 803 . 1 1 152 152 ARG N N 15 113.7 0.2 . 1 . . . . . . . . 5300 1 804 . 1 1 153 153 PHE H H 1 8.14 0.01 . 1 . . . . . . . . 5300 1 805 . 1 1 153 153 PHE CA C 13 55.4 0.2 . 1 . . . . . . . . 5300 1 806 . 1 1 153 153 PHE CB C 13 41.5 0.2 . 1 . . . . . . . . 5300 1 807 . 1 1 153 153 PHE N N 15 126.3 0.2 . 1 . . . . . . . . 5300 1 808 . 1 1 154 154 ASP C C 13 176.3 0.2 . 1 . . . . . . . . 5300 1 809 . 1 1 154 154 ASP CA C 13 54.5 0.2 . 1 . . . . . . . . 5300 1 810 . 1 1 154 154 ASP CB C 13 41.5 0.2 . 1 . . . . . . . . 5300 1 811 . 1 1 155 155 ALA C C 13 178.5 0.2 . 1 . . . . . . . . 5300 1 812 . 1 1 155 155 ALA H H 1 8.18 0.01 . 1 . . . . . . . . 5300 1 813 . 1 1 155 155 ALA HA H 1 4.29 0.05 . 1 . . . . . . . . 5300 1 814 . 1 1 155 155 ALA CA C 13 53.6 0.2 . 1 . . . . . . . . 5300 1 815 . 1 1 155 155 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 5300 1 816 . 1 1 155 155 ALA N N 15 124.6 0.2 . 1 . . . . . . . . 5300 1 817 . 1 1 156 156 GLU C C 13 175.4 0.2 . 1 . . . . . . . . 5300 1 818 . 1 1 156 156 GLU H H 1 8.33 0.01 . 1 . . . . . . . . 5300 1 819 . 1 1 156 156 GLU HA H 1 4.25 0.05 . 1 . . . . . . . . 5300 1 820 . 1 1 156 156 GLU CA C 13 56.7 0.2 . 1 . . . . . . . . 5300 1 821 . 1 1 156 156 GLU CB C 13 30.5 0.2 . 1 . . . . . . . . 5300 1 822 . 1 1 156 156 GLU N N 15 118.9 0.2 . 1 . . . . . . . . 5300 1 823 . 1 1 157 157 GLY HA2 H 1 2.77 0.01 . 1 . . . . . . . . 5300 1 824 . 1 1 157 157 GLY H H 1 8.23 0.01 . 1 . . . . . . . . 5300 1 825 . 1 1 157 157 GLY HA3 H 1 2.76 0.01 . 1 . . . . . . . . 5300 1 826 . 1 1 157 157 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 5300 1 827 . 1 1 157 157 GLY N N 15 121.6 0.2 . 1 . . . . . . . . 5300 1 828 . 1 1 158 158 LYS H H 1 8.40 0.01 . 1 . . . . . . . . 5300 1 829 . 1 1 158 158 LYS CA C 13 57.0 0.2 . 1 . . . . . . . . 5300 1 830 . 1 1 158 158 LYS CB C 13 30.3 0.2 . 1 . . . . . . . . 5300 1 831 . 1 1 158 158 LYS N N 15 120.8 0.2 . 1 . . . . . . . . 5300 1 832 . 1 1 159 159 GLY H H 1 8.31 0.01 . 1 . . . . . . . . 5300 1 833 . 1 1 159 159 GLY CA C 13 46.0 0.2 . 1 . . . . . . . . 5300 1 834 . 1 1 159 159 GLY N N 15 111.1 0.2 . 1 . . . . . . . . 5300 1 835 . 1 1 160 160 LYS H H 1 7.82 0.01 . 1 . . . . . . . . 5300 1 836 . 1 1 160 160 LYS CA C 13 57.9 0.2 . 1 . . . . . . . . 5300 1 837 . 1 1 160 160 LYS CB C 13 34.3 0.2 . 1 . . . . . . . . 5300 1 838 . 1 1 160 160 LYS N N 15 127.2 0.2 . 1 . . . . . . . . 5300 1 839 . 1 1 161 161 GLY HA2 H 1 4.03 0.01 . 1 . . . . . . . . 5300 1 840 . 1 1 161 161 GLY C C 13 176.0 0.2 . 1 . . . . . . . . 5300 1 841 . 1 1 161 161 GLY CA C 13 45.8 0.2 . 1 . . . . . . . . 5300 1 842 . 1 1 162 162 LYS C C 13 176.8 0.2 . 1 . . . . . . . . 5300 1 843 . 1 1 162 162 LYS H H 1 8.12 0.01 . 1 . . . . . . . . 5300 1 844 . 1 1 162 162 LYS HA H 1 4.44 0.05 . 1 . . . . . . . . 5300 1 845 . 1 1 162 162 LYS CA C 13 56.9 0.2 . 1 . . . . . . . . 5300 1 846 . 1 1 162 162 LYS CB C 13 33.3 0.2 . 1 . . . . . . . . 5300 1 847 . 1 1 162 162 LYS N N 15 123.2 0.2 . 1 . . . . . . . . 5300 1 848 . 1 1 163 163 SER C C 13 176.0 0.2 . 1 . . . . . . . . 5300 1 849 . 1 1 163 163 SER H H 1 8.47 0.01 . 1 . . . . . . . . 5300 1 850 . 1 1 163 163 SER HA H 1 4.44 0.05 . 1 . . . . . . . . 5300 1 851 . 1 1 163 163 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 5300 1 852 . 1 1 163 163 SER CB C 13 63.1 0.2 . 1 . . . . . . . . 5300 1 853 . 1 1 163 163 SER N N 15 117.2 0.2 . 1 . . . . . . . . 5300 1 854 . 1 1 164 164 GLY C C 13 176.0 0.2 . 1 . . . . . . . . 5300 1 855 . 1 1 164 164 GLY H H 1 8.44 0.01 . 1 . . . . . . . . 5300 1 856 . 1 1 164 164 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 5300 1 857 . 1 1 164 164 GLY N N 15 123.3 0.2 . 1 . . . . . . . . 5300 1 858 . 1 1 165 165 ARG C C 13 176.3 0.2 . 1 . . . . . . . . 5300 1 859 . 1 1 165 165 ARG H H 1 8.27 0.01 . 1 . . . . . . . . 5300 1 860 . 1 1 165 165 ARG HA H 1 4.34 0.05 . 1 . . . . . . . . 5300 1 861 . 1 1 165 165 ARG CA C 13 56.6 0.2 . 1 . . . . . . . . 5300 1 862 . 1 1 165 165 ARG CB C 13 31.4 0.2 . 1 . . . . . . . . 5300 1 863 . 1 1 165 165 ARG N N 15 121.6 0.2 . 1 . . . . . . . . 5300 1 864 . 1 1 166 166 ALA C C 13 177.6 0.2 . 1 . . . . . . . . 5300 1 865 . 1 1 166 166 ALA H H 1 8.44 0.01 . 1 . . . . . . . . 5300 1 866 . 1 1 166 166 ALA HA H 1 4.34 0.05 . 1 . . . . . . . . 5300 1 867 . 1 1 166 166 ALA CA C 13 52.9 0.2 . 1 . . . . . . . . 5300 1 868 . 1 1 166 166 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 5300 1 869 . 1 1 166 166 ALA N N 15 125.7 0.2 . 1 . . . . . . . . 5300 1 870 . 1 1 167 167 ASP C C 13 176.8 0.2 . 1 . . . . . . . . 5300 1 871 . 1 1 167 167 ASP H H 1 8.36 0.01 . 1 . . . . . . . . 5300 1 872 . 1 1 167 167 ASP HA H 1 4.69 0.05 . 1 . . . . . . . . 5300 1 873 . 1 1 167 167 ASP CA C 13 54.7 0.2 . 1 . . . . . . . . 5300 1 874 . 1 1 167 167 ASP CB C 13 41.6 0.2 . 1 . . . . . . . . 5300 1 875 . 1 1 167 167 ASP N N 15 119.9 0.2 . 1 . . . . . . . . 5300 1 876 . 1 1 168 168 THR C C 13 176.4 0.2 . 1 . . . . . . . . 5300 1 877 . 1 1 168 168 THR H H 1 8.11 0.01 . 1 . . . . . . . . 5300 1 878 . 1 1 168 168 THR HA H 1 4.66 0.05 . 1 . . . . . . . . 5300 1 879 . 1 1 168 168 THR CA C 13 62.2 0.2 . 1 . . . . . . . . 5300 1 880 . 1 1 168 168 THR CB C 13 70.3 0.2 . 1 . . . . . . . . 5300 1 881 . 1 1 168 168 THR N N 15 114.1 0.2 . 1 . . . . . . . . 5300 1 882 . 1 1 169 169 THR C C 13 176.6 0.2 . 1 . . . . . . . . 5300 1 883 . 1 1 169 169 THR H H 1 8.13 0.01 . 1 . . . . . . . . 5300 1 884 . 1 1 169 169 THR CA C 13 62.3 0.2 . 1 . . . . . . . . 5300 1 885 . 1 1 169 169 THR CB C 13 70.4 0.2 . 1 . . . . . . . . 5300 1 886 . 1 1 169 169 THR N N 15 116.1 0.2 . 1 . . . . . . . . 5300 1 887 . 1 1 170 170 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 5300 1 888 . 1 1 170 170 GLU H H 1 8.50 0.01 . 1 . . . . . . . . 5300 1 889 . 1 1 170 170 GLU HA H 1 4.29 0.05 . 1 . . . . . . . . 5300 1 890 . 1 1 170 170 GLU CA C 13 57.1 0.2 . 1 . . . . . . . . 5300 1 891 . 1 1 170 170 GLU CB C 13 30.7 0.2 . 1 . . . . . . . . 5300 1 892 . 1 1 170 170 GLU N N 15 122.1 0.2 . 1 . . . . . . . . 5300 1 893 . 1 1 171 171 ASN C C 13 175.8 0.2 . 1 . . . . . . . . 5300 1 894 . 1 1 171 171 ASN H H 1 8.50 0.01 . 1 . . . . . . . . 5300 1 895 . 1 1 171 171 ASN HA H 1 4.81 0.05 . 1 . . . . . . . . 5300 1 896 . 1 1 171 171 ASN CA C 13 53.7 0.2 . 1 . . . . . . . . 5300 1 897 . 1 1 171 171 ASN CB C 13 39.3 0.2 . 1 . . . . . . . . 5300 1 898 . 1 1 171 171 ASN N N 15 120.2 0.2 . 1 . . . . . . . . 5300 1 899 . 1 1 172 172 THR C C 13 175.5 0.2 . 1 . . . . . . . . 5300 1 900 . 1 1 172 172 THR H H 1 8.16 0.01 . 1 . . . . . . . . 5300 1 901 . 1 1 172 172 THR HA H 1 4.78 0.05 . 1 . . . . . . . . 5300 1 902 . 1 1 172 172 THR CA C 13 62.8 0.2 . 1 . . . . . . . . 5300 1 903 . 1 1 172 172 THR CB C 13 70.2 0.2 . 1 . . . . . . . . 5300 1 904 . 1 1 172 172 THR N N 15 114.3 0.2 . 1 . . . . . . . . 5300 1 905 . 1 1 173 173 GLY HA2 H 1 4.28 0.01 . 1 . . . . . . . . 5300 1 906 . 1 1 173 173 GLY C C 13 177.6 0.2 . 1 . . . . . . . . 5300 1 907 . 1 1 173 173 GLY H H 1 8.39 0.01 . 1 . . . . . . . . 5300 1 908 . 1 1 173 173 GLY HA3 H 1 3.93 0.01 . 1 . . . . . . . . 5300 1 909 . 1 1 173 173 GLY CA C 13 45.8 0.2 . 1 . . . . . . . . 5300 1 910 . 1 1 173 173 GLY N N 15 111.0 0.2 . 1 . . . . . . . . 5300 1 911 . 1 1 174 174 TYR C C 13 176.1 0.2 . 1 . . . . . . . . 5300 1 912 . 1 1 174 174 TYR H H 1 8.16 0.01 . 1 . . . . . . . . 5300 1 913 . 1 1 174 174 TYR HA H 1 3.75 0.05 . 1 . . . . . . . . 5300 1 914 . 1 1 174 174 TYR CA C 13 53.1 0.2 . 1 . . . . . . . . 5300 1 915 . 1 1 174 174 TYR CB C 13 39.0 0.2 . 1 . . . . . . . . 5300 1 916 . 1 1 174 174 TYR N N 15 122.8 0.2 . 1 . . . . . . . . 5300 1 917 . 1 1 175 175 VAL C C 13 176.4 0.2 . 1 . . . . . . . . 5300 1 918 . 1 1 175 175 VAL H H 1 8.05 0.01 . 1 . . . . . . . . 5300 1 919 . 1 1 175 175 VAL HA H 1 4.04 0.05 . 1 . . . . . . . . 5300 1 920 . 1 1 175 175 VAL CA C 13 62.9 0.2 . 1 . . . . . . . . 5300 1 921 . 1 1 175 175 VAL CB C 13 33.3 0.2 . 1 . . . . . . . . 5300 1 922 . 1 1 175 175 VAL N N 15 123.3 0.2 . 1 . . . . . . . . 5300 1 923 . 1 1 176 176 GLY HA2 H 1 4.04 0.01 . 1 . . . . . . . . 5300 1 924 . 1 1 176 176 GLY C C 13 173.9 0.2 . 1 . . . . . . . . 5300 1 925 . 1 1 176 176 GLY H H 1 7.94 0.01 . 1 . . . . . . . . 5300 1 926 . 1 1 176 176 GLY HA3 H 1 3.83 0.01 . 1 . . . . . . . . 5300 1 927 . 1 1 176 176 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 5300 1 928 . 1 1 176 176 GLY N N 15 112.0 0.2 . 1 . . . . . . . . 5300 1 929 . 1 1 177 177 ALA C C 13 177.9 0.2 . 1 . . . . . . . . 5300 1 930 . 1 1 177 177 ALA H H 1 8.14 0.01 . 1 . . . . . . . . 5300 1 931 . 1 1 177 177 ALA HA H 1 4.25 0.05 . 1 . . . . . . . . 5300 1 932 . 1 1 177 177 ALA CA C 13 52.9 0.2 . 1 . . . . . . . . 5300 1 933 . 1 1 177 177 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 5300 1 934 . 1 1 177 177 ALA N N 15 123.6 0.2 . 1 . . . . . . . . 5300 1 935 . 1 1 178 178 TYR H H 1 8.36 0.01 . 1 . . . . . . . . 5300 1 936 . 1 1 178 178 TYR HA H 1 4.66 0.05 . 1 . . . . . . . . 5300 1 937 . 1 1 178 178 TYR CA C 13 53.7 0.2 . 1 . . . . . . . . 5300 1 938 . 1 1 178 178 TYR CB C 13 39.2 0.2 . 1 . . . . . . . . 5300 1 939 . 1 1 178 178 TYR N N 15 118.2 0.2 . 1 . . . . . . . . 5300 1 940 . 1 1 179 179 LYS C C 13 177.9 0.2 . 1 . . . . . . . . 5300 1 941 . 1 1 179 179 LYS H H 1 8.31 0.01 . 1 . . . . . . . . 5300 1 942 . 1 1 179 179 LYS HA H 1 4.82 0.05 . 1 . . . . . . . . 5300 1 943 . 1 1 179 179 LYS CB C 13 33.3 0.2 . 1 . . . . . . . . 5300 1 944 . 1 1 179 179 LYS N N 15 122.0 0.2 . 1 . . . . . . . . 5300 1 945 . 1 1 180 180 ASN C C 13 177.6 0.2 . 1 . . . . . . . . 5300 1 946 . 1 1 180 180 ASN H H 1 8.26 0.01 . 1 . . . . . . . . 5300 1 947 . 1 1 180 180 ASN HA H 1 3.30 0.05 . 1 . . . . . . . . 5300 1 948 . 1 1 180 180 ASN CA C 13 58.4 0.2 . 1 . . . . . . . . 5300 1 949 . 1 1 180 180 ASN CB C 13 39.2 0.2 . 1 . . . . . . . . 5300 1 950 . 1 1 180 180 ASN N N 15 123.4 0.2 . 1 . . . . . . . . 5300 1 951 . 1 1 181 181 LYS C C 13 176.7 0.2 . 1 . . . . . . . . 5300 1 952 . 1 1 181 181 LYS H H 1 8.13 0.01 . 1 . . . . . . . . 5300 1 953 . 1 1 181 181 LYS CA C 13 57.5 0.2 . 1 . . . . . . . . 5300 1 954 . 1 1 181 181 LYS CB C 13 33.3 0.2 . 1 . . . . . . . . 5300 1 955 . 1 1 181 181 LYS N N 15 122.8 0.2 . 1 . . . . . . . . 5300 1 956 . 1 1 182 182 ASP C C 13 176.7 0.2 . 1 . . . . . . . . 5300 1 957 . 1 1 182 182 ASP H H 1 8.33 0.01 . 1 . . . . . . . . 5300 1 958 . 1 1 182 182 ASP HA H 1 4.61 0.05 . 1 . . . . . . . . 5300 1 959 . 1 1 182 182 ASP CA C 13 55.3 0.2 . 1 . . . . . . . . 5300 1 960 . 1 1 182 182 ASP CB C 13 41.7 0.2 . 1 . . . . . . . . 5300 1 961 . 1 1 182 182 ASP N N 15 121.1 0.2 . 1 . . . . . . . . 5300 1 962 . 1 1 183 183 SER C C 13 174.8 0.2 . 1 . . . . . . . . 5300 1 963 . 1 1 183 183 SER H H 1 8.10 0.01 . 1 . . . . . . . . 5300 1 964 . 1 1 183 183 SER HA H 1 4.36 0.05 . 1 . . . . . . . . 5300 1 965 . 1 1 183 183 SER CA C 13 59.2 0.2 . 1 . . . . . . . . 5300 1 966 . 1 1 183 183 SER CB C 13 64.2 0.2 . 1 . . . . . . . . 5300 1 967 . 1 1 183 183 SER N N 15 115.5 0.2 . 1 . . . . . . . . 5300 1 968 . 1 1 184 184 TYR C C 13 176.3 0.2 . 1 . . . . . . . . 5300 1 969 . 1 1 184 184 TYR H H 1 8.15 0.01 . 1 . . . . . . . . 5300 1 970 . 1 1 184 184 TYR HA H 1 5.13 0.05 . 1 . . . . . . . . 5300 1 971 . 1 1 184 184 TYR CA C 13 53.1 0.2 . 1 . . . . . . . . 5300 1 972 . 1 1 184 184 TYR CB C 13 33.1 0.2 . 1 . . . . . . . . 5300 1 973 . 1 1 184 184 TYR N N 15 122.5 0.2 . 1 . . . . . . . . 5300 1 974 . 1 1 185 185 ASP C C 13 176.0 0.2 . 1 . . . . . . . . 5300 1 975 . 1 1 185 185 ASP H H 1 8.26 0.01 . 1 . . . . . . . . 5300 1 976 . 1 1 185 185 ASP HA H 1 3.30 0.05 . 1 . . . . . . . . 5300 1 977 . 1 1 185 185 ASP CA C 13 58.4 0.2 . 1 . . . . . . . . 5300 1 978 . 1 1 185 185 ASP CB C 13 39.2 0.2 . 1 . . . . . . . . 5300 1 979 . 1 1 185 185 ASP N N 15 123.7 0.2 . 1 . . . . . . . . 5300 1 980 . 1 1 186 186 LYS C C 13 176.1 0.2 . 1 . . . . . . . . 5300 1 981 . 1 1 186 186 LYS H H 1 8.28 0.01 . 1 . . . . . . . . 5300 1 982 . 1 1 186 186 LYS HA H 1 4.47 0.05 . 1 . . . . . . . . 5300 1 983 . 1 1 186 186 LYS CA C 13 58.3 0.2 . 1 . . . . . . . . 5300 1 984 . 1 1 186 186 LYS CB C 13 39.1 0.2 . 1 . . . . . . . . 5300 1 985 . 1 1 186 186 LYS N N 15 121.8 0.2 . 1 . . . . . . . . 5300 1 986 . 1 1 187 187 THR C C 13 174.5 0.2 . 1 . . . . . . . . 5300 1 987 . 1 1 187 187 THR H H 1 8.10 0.01 . 1 . . . . . . . . 5300 1 988 . 1 1 187 187 THR HA H 1 4.41 0.05 . 1 . . . . . . . . 5300 1 989 . 1 1 187 187 THR CA C 13 58.6 0.2 . 1 . . . . . . . . 5300 1 990 . 1 1 187 187 THR CB C 13 64.4 0.2 . 1 . . . . . . . . 5300 1 991 . 1 1 187 187 THR N N 15 117.9 0.2 . 1 . . . . . . . . 5300 1 992 . 1 1 188 188 HIS H H 1 8.30 0.01 . 1 . . . . . . . . 5300 1 993 . 1 1 188 188 HIS CA C 13 56.7 0.2 . 1 . . . . . . . . 5300 1 994 . 1 1 188 188 HIS CB C 13 31.1 0.2 . 1 . . . . . . . . 5300 1 995 . 1 1 188 188 HIS N N 15 123.2 0.2 . 1 . . . . . . . . 5300 1 996 . 1 1 189 189 GLY H H 1 8.31 0.01 . 1 . . . . . . . . 5300 1 997 . 1 1 189 189 GLY CA C 13 46.0 0.2 . 1 . . . . . . . . 5300 1 998 . 1 1 189 189 GLY N N 15 111.1 0.2 . 1 . . . . . . . . 5300 1 999 . 1 1 190 190 LYS H H 1 7.82 0.01 . 1 . . . . . . . . 5300 1 1000 . 1 1 190 190 LYS CA C 13 57.9 0.2 . 1 . . . . . . . . 5300 1 1001 . 1 1 190 190 LYS CB C 13 34.3 0.2 . 1 . . . . . . . . 5300 1 1002 . 1 1 190 190 LYS N N 15 127.2 0.2 . 1 . . . . . . . . 5300 1 stop_ save_