data_17404 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17404 _Entry.Title ; Backbone (H,N,CA,HA,CB,HB) assignment of the Escherichia coli peptidyl-tRNA hydrolase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-11 _Entry.Accession_date 2011-01-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Laurent Giorgi . . . 17404 2 Pierre Plateau . . . 17404 3 Caroline Aubard . . . 17404 4 Michel Fromant . . . 17404 5 Sylvain Blanquet . . . 17404 6 Francois Bontems . . . 17404 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Centre national de la recherche scientifique (CNRS)' . 17404 2 . 'Ecole Polytechnique' . 17404 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17404 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 541 17404 '15N chemical shifts' 183 17404 '1H chemical shifts' 679 17404 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 3 . . 2012-12-07 2011-01-11 update BMRB 'delete outliers: 32 PRO N 1, 58 PRO N 1, 106 PRO N 1, 57 ALA C 1, 105 ASN C 1, 132 GLY C 1, 147 ASN C 1' 17404 2 . . 2012-03-09 2011-01-11 update BMRB 'update entry citation' 17404 1 . . 2011-07-07 2011-01-11 original author 'original release' 17404 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17404 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21718701 _Citation.Full_citation . _Citation.Title 'NMR-based substrate analog docking to Escherichia coli peptidyl-tRNA hydrolase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 412 _Citation.Journal_issue 4 _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 619 _Citation.Page_last 633 _Citation.Year 2011 _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 Laurent Giorgi . . . 17404 1 2 Pierre Plateau . . . 17404 1 3 Gavin Aubard . . . 17404 1 4 Caroline Fromant . . . 17404 1 5 Michel Thureau . . . 17404 1 6 Aurelien Grtli . . . 17404 1 7 Morten Blanquet . . . 17404 1 8 Sylvain Bontems . . . 17404 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'E. coli peptidyl-tRNA hydrolase' 17404 1 Haddock 17404 1 'solution NMR' 17404 1 'substrate analog' 17404 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17404 _Assembly.ID 1 _Assembly.Name 'PTH-HA20 solution' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PTH-HA20 solution' 1 $PTH-HA20 A . yes native no no . . . 17404 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'hydrolyse peptidyl-tRNA prematurely dissociated from the ribosome' 17404 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PTH-HA20 _Entity.Sf_category entity _Entity.Sf_framecode PTH-HA20 _Entity.Entry_ID 17404 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PTH-HA20 _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 ; MGSSHHHHHHSSGLVPRGSH MTIKLIVGLANPGAEYAATR ANAGAWFVDLLAERLRAPLR EEAKFFGYTSRVTLGGEDVR LLVPTTFMNLSGKAVAAMAS FFRINPDEILVAHDELDLPP GVAKFKLGGGHGGHNGLKDI ISKLGNNPNFHRLRIGIGHP GDKNKVVGFVLGKPPVSEQK LIDEAIDEAARCTEMWFTDG LTKATNRLHAFKAQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'Wild type PTH possesses an histidine in position 20' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2PTH . "Peptidyl-Trna Hydrolase From Escherichia Coli" . . . . . 90.19 193 99.48 99.48 5.04e-135 . . . . 17404 1 2 no PDB 3OFV . "Crystal Structure Of Peptidyl-Trna Hydrolase From Escherichia Coli, I222 Crystal Form" . . . . . 98.60 211 99.05 99.53 6.21e-149 . . . . 17404 1 3 no PDB 3VJR . "Crystal Structure Of Peptidyl-trna Hydrolase From Escherichia Coli In Complex With The Cca-acceptor-t[psi]c Domain Of Trna" . . . . . 92.06 197 99.49 99.49 2.24e-138 . . . . 17404 1 4 no DBJ BAA36062 . "peptidyl-tRNA hydrolase [Escherichia coli str. K12 substr. W3110]" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 5 no DBJ BAB35132 . "peptidyl-tRNA hydrolase [Escherichia coli O157:H7 str. Sakai]" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 6 no DBJ BAG76778 . "peptidyl-tRNA hydrolase [Escherichia coli SE11]" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 7 no DBJ BAI25016 . "peptidyl-tRNA hydrolase [Escherichia coli O26:H11 str. 11368]" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 8 no DBJ BAI30140 . "peptidyl-tRNA hydrolase [Escherichia coli O103:H2 str. 12009]" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 9 no EMBL CAA43945 . "peptidyl-tRNA hydrolase [Escherichia coli K-12]" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 10 no EMBL CAP75743 . "Peptidyl-tRNA hydrolase [Escherichia coli LF82]" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 11 no EMBL CAQ31706 . "peptidyl-tRNA hydrolase [Escherichia coli BL21(DE3)]" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 12 no EMBL CAQ98084 . "peptidyl-tRNA hydrolase [Escherichia coli IAI1]" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 13 no EMBL CAR02598 . "peptidyl-tRNA hydrolase [Escherichia coli S88]" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 14 no GB AAC74288 . "peptidyl-tRNA hydrolase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 15 no GB AAG56062 . "peptidyl-tRNA hydrolase [Escherichia coli O157:H7 str. EDL933]" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 16 no GB AAN42820 . "peptidyl-tRNA hydrolase [Shigella flexneri 2a str. 301]" . . . . . 90.65 194 98.97 98.97 2.54e-135 . . . . 17404 1 17 no GB AAN80127 . "Peptidyl-tRNA hydrolase [Escherichia coli CFT073]" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 18 no GB AAP16706 . "peptidyl-tRNA hydrolase [Shigella flexneri 2a str. 2457T]" . . . . . 90.65 194 98.97 98.97 2.54e-135 . . . . 17404 1 19 no PRF 2104267B . "peptidyl-tRNA hydrolase" . . . . . 90.65 194 98.97 99.48 2.68e-135 . . . . 17404 1 20 no REF NP_309736 . "peptidyl-tRNA hydrolase [Escherichia coli O157:H7 str. Sakai]" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 21 no REF NP_415722 . "peptidyl-tRNA hydrolase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 22 no REF NP_707113 . "peptidyl-tRNA hydrolase [Shigella flexneri 2a str. 301]" . . . . . 90.65 194 98.97 98.97 2.54e-135 . . . . 17404 1 23 no REF WP_000152925 . "peptidyl-tRNA hydrolase [Escherichia coli]" . . . . . 90.65 194 98.97 99.48 8.05e-136 . . . . 17404 1 24 no REF WP_000152927 . "peptidyl-tRNA hydrolase [Escherichia coli]" . . . . . 90.65 194 98.97 98.97 1.24e-134 . . . . 17404 1 25 no SP A7ZKX7 . "RecName: Full=Peptidyl-tRNA hydrolase; Short=PTH" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 26 no SP A7ZZE0 . "RecName: Full=Peptidyl-tRNA hydrolase; Short=PTH" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 27 no SP B1IU89 . "RecName: Full=Peptidyl-tRNA hydrolase; Short=PTH" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 28 no SP B1LH96 . "RecName: Full=Peptidyl-tRNA hydrolase; Short=PTH" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 1 29 no SP B1XAP5 . "RecName: Full=Peptidyl-tRNA hydrolase; Short=PTH" . . . . . 90.65 194 99.48 99.48 4.87e-136 . . . . 17404 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 -20 MET . 17404 1 2 -19 GLY . 17404 1 3 -18 SER . 17404 1 4 -17 SER . 17404 1 5 -16 HIS . 17404 1 6 -15 HIS . 17404 1 7 -14 HIS . 17404 1 8 -13 HIS . 17404 1 9 -12 HIS . 17404 1 10 -11 HIS . 17404 1 11 -10 SER . 17404 1 12 -9 SER . 17404 1 13 -8 GLY . 17404 1 14 -7 LEU . 17404 1 15 -6 VAL . 17404 1 16 -5 PRO . 17404 1 17 -4 ARG . 17404 1 18 -3 GLY . 17404 1 19 -2 SER . 17404 1 20 -1 HIS . 17404 1 21 0 MET . 17404 1 22 1 THR . 17404 1 23 2 ILE . 17404 1 24 3 LYS . 17404 1 25 4 LEU . 17404 1 26 5 ILE . 17404 1 27 6 VAL . 17404 1 28 7 GLY . 17404 1 29 8 LEU . 17404 1 30 9 ALA . 17404 1 31 10 ASN . 17404 1 32 11 PRO . 17404 1 33 12 GLY . 17404 1 34 13 ALA . 17404 1 35 14 GLU . 17404 1 36 15 TYR . 17404 1 37 16 ALA . 17404 1 38 17 ALA . 17404 1 39 18 THR . 17404 1 40 19 ARG . 17404 1 41 20 ALA . 17404 1 42 21 ASN . 17404 1 43 22 ALA . 17404 1 44 23 GLY . 17404 1 45 24 ALA . 17404 1 46 25 TRP . 17404 1 47 26 PHE . 17404 1 48 27 VAL . 17404 1 49 28 ASP . 17404 1 50 29 LEU . 17404 1 51 30 LEU . 17404 1 52 31 ALA . 17404 1 53 32 GLU . 17404 1 54 33 ARG . 17404 1 55 34 LEU . 17404 1 56 35 ARG . 17404 1 57 36 ALA . 17404 1 58 37 PRO . 17404 1 59 38 LEU . 17404 1 60 39 ARG . 17404 1 61 40 GLU . 17404 1 62 41 GLU . 17404 1 63 42 ALA . 17404 1 64 43 LYS . 17404 1 65 44 PHE . 17404 1 66 45 PHE . 17404 1 67 46 GLY . 17404 1 68 47 TYR . 17404 1 69 48 THR . 17404 1 70 49 SER . 17404 1 71 50 ARG . 17404 1 72 51 VAL . 17404 1 73 52 THR . 17404 1 74 53 LEU . 17404 1 75 54 GLY . 17404 1 76 55 GLY . 17404 1 77 56 GLU . 17404 1 78 57 ASP . 17404 1 79 58 VAL . 17404 1 80 59 ARG . 17404 1 81 60 LEU . 17404 1 82 61 LEU . 17404 1 83 62 VAL . 17404 1 84 63 PRO . 17404 1 85 64 THR . 17404 1 86 65 THR . 17404 1 87 66 PHE . 17404 1 88 67 MET . 17404 1 89 68 ASN . 17404 1 90 69 LEU . 17404 1 91 70 SER . 17404 1 92 71 GLY . 17404 1 93 72 LYS . 17404 1 94 73 ALA . 17404 1 95 74 VAL . 17404 1 96 75 ALA . 17404 1 97 76 ALA . 17404 1 98 77 MET . 17404 1 99 78 ALA . 17404 1 100 79 SER . 17404 1 101 80 PHE . 17404 1 102 81 PHE . 17404 1 103 82 ARG . 17404 1 104 83 ILE . 17404 1 105 84 ASN . 17404 1 106 85 PRO . 17404 1 107 86 ASP . 17404 1 108 87 GLU . 17404 1 109 88 ILE . 17404 1 110 89 LEU . 17404 1 111 90 VAL . 17404 1 112 91 ALA . 17404 1 113 92 HIS . 17404 1 114 93 ASP . 17404 1 115 94 GLU . 17404 1 116 95 LEU . 17404 1 117 96 ASP . 17404 1 118 97 LEU . 17404 1 119 98 PRO . 17404 1 120 99 PRO . 17404 1 121 100 GLY . 17404 1 122 101 VAL . 17404 1 123 102 ALA . 17404 1 124 103 LYS . 17404 1 125 104 PHE . 17404 1 126 105 LYS . 17404 1 127 106 LEU . 17404 1 128 107 GLY . 17404 1 129 108 GLY . 17404 1 130 109 GLY . 17404 1 131 110 HIS . 17404 1 132 111 GLY . 17404 1 133 112 GLY . 17404 1 134 113 HIS . 17404 1 135 114 ASN . 17404 1 136 115 GLY . 17404 1 137 116 LEU . 17404 1 138 117 LYS . 17404 1 139 118 ASP . 17404 1 140 119 ILE . 17404 1 141 120 ILE . 17404 1 142 121 SER . 17404 1 143 122 LYS . 17404 1 144 123 LEU . 17404 1 145 124 GLY . 17404 1 146 125 ASN . 17404 1 147 126 ASN . 17404 1 148 127 PRO . 17404 1 149 128 ASN . 17404 1 150 129 PHE . 17404 1 151 130 HIS . 17404 1 152 131 ARG . 17404 1 153 132 LEU . 17404 1 154 133 ARG . 17404 1 155 134 ILE . 17404 1 156 135 GLY . 17404 1 157 136 ILE . 17404 1 158 137 GLY . 17404 1 159 138 HIS . 17404 1 160 139 PRO . 17404 1 161 140 GLY . 17404 1 162 141 ASP . 17404 1 163 142 LYS . 17404 1 164 143 ASN . 17404 1 165 144 LYS . 17404 1 166 145 VAL . 17404 1 167 146 VAL . 17404 1 168 147 GLY . 17404 1 169 148 PHE . 17404 1 170 149 VAL . 17404 1 171 150 LEU . 17404 1 172 151 GLY . 17404 1 173 152 LYS . 17404 1 174 153 PRO . 17404 1 175 154 PRO . 17404 1 176 155 VAL . 17404 1 177 156 SER . 17404 1 178 157 GLU . 17404 1 179 158 GLN . 17404 1 180 159 LYS . 17404 1 181 160 LEU . 17404 1 182 161 ILE . 17404 1 183 162 ASP . 17404 1 184 163 GLU . 17404 1 185 164 ALA . 17404 1 186 165 ILE . 17404 1 187 166 ASP . 17404 1 188 167 GLU . 17404 1 189 168 ALA . 17404 1 190 169 ALA . 17404 1 191 170 ARG . 17404 1 192 171 CYS . 17404 1 193 172 THR . 17404 1 194 173 GLU . 17404 1 195 174 MET . 17404 1 196 175 TRP . 17404 1 197 176 PHE . 17404 1 198 177 THR . 17404 1 199 178 ASP . 17404 1 200 179 GLY . 17404 1 201 180 LEU . 17404 1 202 181 THR . 17404 1 203 182 LYS . 17404 1 204 183 ALA . 17404 1 205 184 THR . 17404 1 206 185 ASN . 17404 1 207 186 ARG . 17404 1 208 187 LEU . 17404 1 209 188 HIS . 17404 1 210 189 ALA . 17404 1 211 190 PHE . 17404 1 212 191 LYS . 17404 1 213 192 ALA . 17404 1 214 193 GLN . 17404 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 17404 1 . GLY 2 2 17404 1 . SER 3 3 17404 1 . SER 4 4 17404 1 . HIS 5 5 17404 1 . HIS 6 6 17404 1 . HIS 7 7 17404 1 . HIS 8 8 17404 1 . HIS 9 9 17404 1 . HIS 10 10 17404 1 . SER 11 11 17404 1 . SER 12 12 17404 1 . GLY 13 13 17404 1 . LEU 14 14 17404 1 . VAL 15 15 17404 1 . PRO 16 16 17404 1 . ARG 17 17 17404 1 . GLY 18 18 17404 1 . SER 19 19 17404 1 . HIS 20 20 17404 1 . MET 21 21 17404 1 . THR 22 22 17404 1 . ILE 23 23 17404 1 . LYS 24 24 17404 1 . LEU 25 25 17404 1 . ILE 26 26 17404 1 . VAL 27 27 17404 1 . GLY 28 28 17404 1 . LEU 29 29 17404 1 . ALA 30 30 17404 1 . ASN 31 31 17404 1 . PRO 32 32 17404 1 . GLY 33 33 17404 1 . ALA 34 34 17404 1 . GLU 35 35 17404 1 . TYR 36 36 17404 1 . ALA 37 37 17404 1 . ALA 38 38 17404 1 . THR 39 39 17404 1 . ARG 40 40 17404 1 . ALA 41 41 17404 1 . ASN 42 42 17404 1 . ALA 43 43 17404 1 . GLY 44 44 17404 1 . ALA 45 45 17404 1 . TRP 46 46 17404 1 . PHE 47 47 17404 1 . VAL 48 48 17404 1 . ASP 49 49 17404 1 . LEU 50 50 17404 1 . LEU 51 51 17404 1 . ALA 52 52 17404 1 . GLU 53 53 17404 1 . ARG 54 54 17404 1 . LEU 55 55 17404 1 . ARG 56 56 17404 1 . ALA 57 57 17404 1 . PRO 58 58 17404 1 . LEU 59 59 17404 1 . ARG 60 60 17404 1 . GLU 61 61 17404 1 . GLU 62 62 17404 1 . ALA 63 63 17404 1 . LYS 64 64 17404 1 . PHE 65 65 17404 1 . PHE 66 66 17404 1 . GLY 67 67 17404 1 . TYR 68 68 17404 1 . THR 69 69 17404 1 . SER 70 70 17404 1 . ARG 71 71 17404 1 . VAL 72 72 17404 1 . THR 73 73 17404 1 . LEU 74 74 17404 1 . GLY 75 75 17404 1 . GLY 76 76 17404 1 . GLU 77 77 17404 1 . ASP 78 78 17404 1 . VAL 79 79 17404 1 . ARG 80 80 17404 1 . LEU 81 81 17404 1 . LEU 82 82 17404 1 . VAL 83 83 17404 1 . PRO 84 84 17404 1 . THR 85 85 17404 1 . THR 86 86 17404 1 . PHE 87 87 17404 1 . MET 88 88 17404 1 . ASN 89 89 17404 1 . LEU 90 90 17404 1 . SER 91 91 17404 1 . GLY 92 92 17404 1 . LYS 93 93 17404 1 . ALA 94 94 17404 1 . VAL 95 95 17404 1 . ALA 96 96 17404 1 . ALA 97 97 17404 1 . MET 98 98 17404 1 . ALA 99 99 17404 1 . SER 100 100 17404 1 . PHE 101 101 17404 1 . PHE 102 102 17404 1 . ARG 103 103 17404 1 . ILE 104 104 17404 1 . ASN 105 105 17404 1 . PRO 106 106 17404 1 . ASP 107 107 17404 1 . GLU 108 108 17404 1 . ILE 109 109 17404 1 . LEU 110 110 17404 1 . VAL 111 111 17404 1 . ALA 112 112 17404 1 . HIS 113 113 17404 1 . ASP 114 114 17404 1 . GLU 115 115 17404 1 . LEU 116 116 17404 1 . ASP 117 117 17404 1 . LEU 118 118 17404 1 . PRO 119 119 17404 1 . PRO 120 120 17404 1 . GLY 121 121 17404 1 . VAL 122 122 17404 1 . ALA 123 123 17404 1 . LYS 124 124 17404 1 . PHE 125 125 17404 1 . LYS 126 126 17404 1 . LEU 127 127 17404 1 . GLY 128 128 17404 1 . GLY 129 129 17404 1 . GLY 130 130 17404 1 . HIS 131 131 17404 1 . GLY 132 132 17404 1 . GLY 133 133 17404 1 . HIS 134 134 17404 1 . ASN 135 135 17404 1 . GLY 136 136 17404 1 . LEU 137 137 17404 1 . LYS 138 138 17404 1 . ASP 139 139 17404 1 . ILE 140 140 17404 1 . ILE 141 141 17404 1 . SER 142 142 17404 1 . LYS 143 143 17404 1 . LEU 144 144 17404 1 . GLY 145 145 17404 1 . ASN 146 146 17404 1 . ASN 147 147 17404 1 . PRO 148 148 17404 1 . ASN 149 149 17404 1 . PHE 150 150 17404 1 . HIS 151 151 17404 1 . ARG 152 152 17404 1 . LEU 153 153 17404 1 . ARG 154 154 17404 1 . ILE 155 155 17404 1 . GLY 156 156 17404 1 . ILE 157 157 17404 1 . GLY 158 158 17404 1 . HIS 159 159 17404 1 . PRO 160 160 17404 1 . GLY 161 161 17404 1 . ASP 162 162 17404 1 . LYS 163 163 17404 1 . ASN 164 164 17404 1 . LYS 165 165 17404 1 . VAL 166 166 17404 1 . VAL 167 167 17404 1 . GLY 168 168 17404 1 . PHE 169 169 17404 1 . VAL 170 170 17404 1 . LEU 171 171 17404 1 . GLY 172 172 17404 1 . LYS 173 173 17404 1 . PRO 174 174 17404 1 . PRO 175 175 17404 1 . VAL 176 176 17404 1 . SER 177 177 17404 1 . GLU 178 178 17404 1 . GLN 179 179 17404 1 . LYS 180 180 17404 1 . LEU 181 181 17404 1 . ILE 182 182 17404 1 . ASP 183 183 17404 1 . GLU 184 184 17404 1 . ALA 185 185 17404 1 . ILE 186 186 17404 1 . ASP 187 187 17404 1 . GLU 188 188 17404 1 . ALA 189 189 17404 1 . ALA 190 190 17404 1 . ARG 191 191 17404 1 . CYS 192 192 17404 1 . THR 193 193 17404 1 . GLU 194 194 17404 1 . MET 195 195 17404 1 . TRP 196 196 17404 1 . PHE 197 197 17404 1 . THR 198 198 17404 1 . ASP 199 199 17404 1 . GLY 200 200 17404 1 . LEU 201 201 17404 1 . THR 202 202 17404 1 . LYS 203 203 17404 1 . ALA 204 204 17404 1 . THR 205 205 17404 1 . ASN 206 206 17404 1 . ARG 207 207 17404 1 . LEU 208 208 17404 1 . HIS 209 209 17404 1 . ALA 210 210 17404 1 . PHE 211 211 17404 1 . LYS 212 212 17404 1 . ALA 213 213 17404 1 . GLN 214 214 17404 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 17404 _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 $PTH-HA20 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17404 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 17404 _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 $PTH-HA20 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 17404 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17404 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTH-HA20 '[U-98% 13C; U-98% 15N]' . . 1 $PTH-HA20 . . 0.5-0.7 . . mM . . . . 17404 1 2 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 17404 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17404 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17404 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTH-HA20 '[U-98% 13C; U-98% 15N]' . . 1 $PTH-HA20 . . 0.5-0.7 . . mM . . . . 17404 2 2 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 17404 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17404 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17404 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 250 . mM 17404 1 pH 6.0 . pH 17404 1 pressure 1 . atm 17404 1 temperature 290 . K 17404 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17404 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17404 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17404 1 'peak picking' 17404 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17404 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17404 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17404 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17404 1 2 spectrometer_2 Bruker Avance . 950 . . . 17404 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 17404 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17404 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17404 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17404 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17404 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17404 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17404 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17404 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17404 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17404 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17404 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 'spectrometer frequency' no . . . . ppm 2.5 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 17404 1 H 1 'spectrometer frequency' no . . . . ppm 0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 17404 1 N 15 'spectrometer frequency' no . . . . ppm 0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 17404 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17404 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCO' . . . 17404 1 3 '3D HNCA' . . . 17404 1 6 '3D CBCA(CO)NH' . . . 17404 1 9 '3D HCCH-TOCSY' . . . 17404 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 22 22 THR H H 1 8.10 . . 1 . . . . 1 Thr H . 17404 1 2 . 1 1 22 22 THR HA H 1 4.13 . . 1 . . . . 1 Thr HA . 17404 1 3 . 1 1 22 22 THR HB H 1 3.79 . . 1 . . . . 1 Thr HB . 17404 1 4 . 1 1 22 22 THR C C 13 176.89 . . 1 . . . . 1 Thr C . 17404 1 5 . 1 1 22 22 THR CA C 13 60.38 . . 1 . . . . 1 Thr CA . 17404 1 6 . 1 1 22 22 THR CB C 13 70.22 . . 1 . . . . 1 Thr CB . 17404 1 7 . 1 1 22 22 THR N N 15 116.44 . . 1 . . . . 1 Thr N . 17404 1 8 . 1 1 23 23 ILE H H 1 6.88 . . 1 . . . . 2 Ile H . 17404 1 9 . 1 1 23 23 ILE HA H 1 3.81 . . 1 . . . . 2 Ile HA . 17404 1 10 . 1 1 23 23 ILE HB H 1 1.25 . . 1 . . . . 2 Ile HB . 17404 1 11 . 1 1 23 23 ILE C C 13 179.15 . . 1 . . . . 2 Ile C . 17404 1 12 . 1 1 23 23 ILE CA C 13 57.70 . . 1 . . . . 2 Ile CA . 17404 1 13 . 1 1 23 23 ILE CB C 13 36.75 . . 1 . . . . 2 Ile CB . 17404 1 14 . 1 1 23 23 ILE N N 15 120.89 . . 1 . . . . 2 Ile N . 17404 1 15 . 1 1 24 24 LYS H H 1 9.34 . . 1 . . . . 3 Lys H . 17404 1 16 . 1 1 24 24 LYS HA H 1 4.53 . . 1 . . . . 3 Lys HA . 17404 1 17 . 1 1 24 24 LYS HB2 H 1 1.40 . . 2 . . . . 3 Lys HB2 . 17404 1 18 . 1 1 24 24 LYS HB3 H 1 1.90 . . 2 . . . . 3 Lys HB3 . 17404 1 19 . 1 1 24 24 LYS C C 13 180.04 . . 1 . . . . 3 Lys C . 17404 1 20 . 1 1 24 24 LYS CA C 13 55.98 . . 1 . . . . 3 Lys CA . 17404 1 21 . 1 1 24 24 LYS CB C 13 36.70 . . 1 . . . . 3 Lys CB . 17404 1 22 . 1 1 24 24 LYS N N 15 121.40 . . 1 . . . . 3 Lys N . 17404 1 23 . 1 1 25 25 LEU H H 1 7.63 . . 1 . . . . 4 Leu H . 17404 1 24 . 1 1 25 25 LEU HA H 1 5.20 . . 1 . . . . 4 Leu HA . 17404 1 25 . 1 1 25 25 LEU HB2 H 1 1.18 . . 2 . . . . 4 Leu HB2 . 17404 1 26 . 1 1 25 25 LEU HB3 H 1 1.67 . . 2 . . . . 4 Leu HB3 . 17404 1 27 . 1 1 25 25 LEU C C 13 176.43 . . 1 . . . . 4 Leu C . 17404 1 28 . 1 1 25 25 LEU CA C 13 53.31 . . 1 . . . . 4 Leu CA . 17404 1 29 . 1 1 25 25 LEU CB C 13 45.71 . . 1 . . . . 4 Leu CB . 17404 1 30 . 1 1 25 25 LEU N N 15 124.49 . . 1 . . . . 4 Leu N . 17404 1 31 . 1 1 26 26 ILE H H 1 9.01 . . 1 . . . . 5 Ile H . 17404 1 32 . 1 1 26 26 ILE HA H 1 5.05 . . 1 . . . . 5 Ile HA . 17404 1 33 . 1 1 26 26 ILE HB H 1 1.64 . . 1 . . . . 5 Ile HB . 17404 1 34 . 1 1 26 26 ILE C C 13 177.24 . . 1 . . . . 5 Ile C . 17404 1 35 . 1 1 26 26 ILE CA C 13 60.13 . . 1 . . . . 5 Ile CA . 17404 1 36 . 1 1 26 26 ILE CB C 13 38.84 . . 1 . . . . 5 Ile CB . 17404 1 37 . 1 1 26 26 ILE N N 15 127.42 . . 1 . . . . 5 Ile N . 17404 1 38 . 1 1 27 27 VAL H H 1 9.49 . . 1 . . . . 6 Val H . 17404 1 39 . 1 1 27 27 VAL HA H 1 5.40 . . 1 . . . . 6 Val HA . 17404 1 40 . 1 1 27 27 VAL HB H 1 2.00 . . 1 . . . . 6 Val HB . 17404 1 41 . 1 1 27 27 VAL C C 13 178.41 . . 1 . . . . 6 Val C . 17404 1 42 . 1 1 27 27 VAL CA C 13 58.67 . . 1 . . . . 6 Val CA . 17404 1 43 . 1 1 27 27 VAL CB C 13 34.83 . . 1 . . . . 6 Val CB . 17404 1 44 . 1 1 27 27 VAL N N 15 127.15 . . 1 . . . . 6 Val N . 17404 1 45 . 1 1 28 28 GLY H H 1 9.13 . . 1 . . . . 7 Gly H . 17404 1 46 . 1 1 28 28 GLY HA2 H 1 4.84 . . 2 . . . . 7 Gly HA2 . 17404 1 47 . 1 1 28 28 GLY HA3 H 1 3.10 . . 2 . . . . 7 Gly HA3 . 17404 1 48 . 1 1 28 28 GLY C C 13 175.17 . . 1 . . . . 7 Gly C . 17404 1 49 . 1 1 28 28 GLY CA C 13 44.79 . . 1 . . . . 7 Gly CA . 17404 1 50 . 1 1 28 28 GLY N N 15 116.44 . . 1 . . . . 7 Gly N . 17404 1 51 . 1 1 29 29 LEU H H 1 7.26 . . 1 . . . . 8 Leu H . 17404 1 52 . 1 1 29 29 LEU C C 13 179.93 . . 1 . . . . 8 Leu C . 17404 1 53 . 1 1 29 29 LEU CA C 13 55.04 . . 1 . . . . 8 Leu CA . 17404 1 54 . 1 1 29 29 LEU CB C 13 40.60 . . 1 . . . . 8 Leu CB . 17404 1 55 . 1 1 29 29 LEU N N 15 118.59 . . 1 . . . . 8 Leu N . 17404 1 56 . 1 1 30 30 ALA H H 1 8.38 . . 1 . . . . 9 Ala H . 17404 1 57 . 1 1 30 30 ALA HA H 1 4.59 . . 1 . . . . 9 Ala HA . 17404 1 58 . 1 1 30 30 ALA HB1 H 1 1.18 . . 1 . . . . 9 Ala HB1 . 17404 1 59 . 1 1 30 30 ALA HB2 H 1 1.18 . . 1 . . . . 9 Ala HB2 . 17404 1 60 . 1 1 30 30 ALA HB3 H 1 1.18 . . 1 . . . . 9 Ala HB3 . 17404 1 61 . 1 1 30 30 ALA C C 13 180.80 . . 1 . . . . 9 Ala C . 17404 1 62 . 1 1 30 30 ALA CA C 13 51.77 . . 1 . . . . 9 Ala CA . 17404 1 63 . 1 1 30 30 ALA CB C 13 24.13 . . 1 . . . . 9 Ala CB . 17404 1 64 . 1 1 30 30 ALA N N 15 121.13 . . 1 . . . . 9 Ala N . 17404 1 65 . 1 1 31 31 ASN H H 1 8.31 . . 1 . . . . 10 Asn H . 17404 1 66 . 1 1 31 31 ASN HA H 1 4.83 . . 1 . . . . 10 Asn HA . 17404 1 67 . 1 1 31 31 ASN HB2 H 1 1.67 . . 2 . . . . 10 Asn HB2 . 17404 1 68 . 1 1 31 31 ASN HB3 H 1 2.20 . . 2 . . . . 10 Asn HB3 . 17404 1 69 . 1 1 31 31 ASN CA C 13 50.71 . . 1 . . . . 10 Asn CA . 17404 1 70 . 1 1 31 31 ASN CB C 13 39.78 . . 1 . . . . 10 Asn CB . 17404 1 71 . 1 1 31 31 ASN N N 15 115.69 . . 1 . . . . 10 Asn N . 17404 1 72 . 1 1 32 32 PRO HA H 1 4.41 . . 1 . . . . 11 Pro HA . 17404 1 73 . 1 1 32 32 PRO HB2 H 1 1.71 . . 2 . . . . 11 Pro HB2 . 17404 1 74 . 1 1 32 32 PRO HB3 H 1 1.71 . . 2 . . . . 11 Pro HB3 . 17404 1 75 . 1 1 32 32 PRO C C 13 180.72 . . 1 . . . . 11 Pro C . 17404 1 76 . 1 1 32 32 PRO CA C 13 62.92 . . 1 . . . . 11 Pro CA . 17404 1 77 . 1 1 32 32 PRO CB C 13 32.29 . . 1 . . . . 11 Pro CB . 17404 1 78 . 1 1 33 33 GLY H H 1 8.13 . . 1 . . . . 12 Gly H . 17404 1 79 . 1 1 33 33 GLY HA2 H 1 3.72 . . 2 . . . . 12 Gly HA2 . 17404 1 80 . 1 1 33 33 GLY HA3 H 1 4.53 . . 2 . . . . 12 Gly HA3 . 17404 1 81 . 1 1 33 33 GLY C C 13 180.27 . . 1 . . . . 12 Gly C . 17404 1 82 . 1 1 33 33 GLY CA C 13 44.07 . . 1 . . . . 12 Gly CA . 17404 1 83 . 1 1 33 33 GLY N N 15 106.89 . . 1 . . . . 12 Gly N . 17404 1 84 . 1 1 34 34 ALA H H 1 8.80 . . 1 . . . . 13 Ala H . 17404 1 85 . 1 1 34 34 ALA HA H 1 4.02 . . 1 . . . . 13 Ala HA . 17404 1 86 . 1 1 34 34 ALA HB1 H 1 1.36 . . 1 . . . . 13 Ala HB1 . 17404 1 87 . 1 1 34 34 ALA HB2 H 1 1.36 . . 1 . . . . 13 Ala HB2 . 17404 1 88 . 1 1 34 34 ALA HB3 H 1 1.36 . . 1 . . . . 13 Ala HB3 . 17404 1 89 . 1 1 34 34 ALA C C 13 184.11 . . 1 . . . . 13 Ala C . 17404 1 90 . 1 1 34 34 ALA CA C 13 55.07 . . 1 . . . . 13 Ala CA . 17404 1 91 . 1 1 34 34 ALA CB C 13 18.16 . . 1 . . . . 13 Ala CB . 17404 1 92 . 1 1 34 34 ALA N N 15 127.55 . . 1 . . . . 13 Ala N . 17404 1 93 . 1 1 35 35 GLU H H 1 9.53 . . 1 . . . . 14 Glu H . 17404 1 94 . 1 1 35 35 GLU HA H 1 3.95 . . 1 . . . . 14 Glu HA . 17404 1 95 . 1 1 35 35 GLU HB2 H 1 1.60 . . 2 . . . . 14 Glu HB2 . 17404 1 96 . 1 1 35 35 GLU HB3 H 1 1.53 . . 2 . . . . 14 Glu HB3 . 17404 1 97 . 1 1 35 35 GLU C C 13 181.23 . . 1 . . . . 14 Glu C . 17404 1 98 . 1 1 35 35 GLU CA C 13 58.07 . . 1 . . . . 14 Glu CA . 17404 1 99 . 1 1 35 35 GLU CB C 13 28.05 . . 1 . . . . 14 Glu CB . 17404 1 100 . 1 1 35 35 GLU N N 15 116.55 . . 1 . . . . 14 Glu N . 17404 1 101 . 1 1 36 36 TYR H H 1 7.22 . . 1 . . . . 15 Tyr H . 17404 1 102 . 1 1 36 36 TYR HA H 1 4.70 . . 1 . . . . 15 Tyr HA . 17404 1 103 . 1 1 36 36 TYR HB2 H 1 2.33 . . 2 . . . . 15 Tyr HB2 . 17404 1 104 . 1 1 36 36 TYR HB3 H 1 3.42 . . 2 . . . . 15 Tyr HB3 . 17404 1 105 . 1 1 36 36 TYR C C 13 181.33 . . 1 . . . . 15 Tyr C . 17404 1 106 . 1 1 36 36 TYR CA C 13 57.33 . . 1 . . . . 15 Tyr CA . 17404 1 107 . 1 1 36 36 TYR CB C 13 38.60 . . 1 . . . . 15 Tyr CB . 17404 1 108 . 1 1 36 36 TYR N N 15 116.21 . . 1 . . . . 15 Tyr N . 17404 1 109 . 1 1 37 37 ALA H H 1 7.28 . . 1 . . . . 16 Ala H . 17404 1 110 . 1 1 37 37 ALA HA H 1 4.27 . . 1 . . . . 16 Ala HA . 17404 1 111 . 1 1 37 37 ALA HB1 H 1 1.45 . . 1 . . . . 16 Ala HB1 . 17404 1 112 . 1 1 37 37 ALA HB2 H 1 1.45 . . 1 . . . . 16 Ala HB2 . 17404 1 113 . 1 1 37 37 ALA HB3 H 1 1.45 . . 1 . . . . 16 Ala HB3 . 17404 1 114 . 1 1 37 37 ALA C C 13 181.53 . . 1 . . . . 16 Ala C . 17404 1 115 . 1 1 37 37 ALA CA C 13 55.33 . . 1 . . . . 16 Ala CA . 17404 1 116 . 1 1 37 37 ALA CB C 13 18.71 . . 1 . . . . 16 Ala CB . 17404 1 117 . 1 1 37 37 ALA N N 15 124.56 . . 1 . . . . 16 Ala N . 17404 1 118 . 1 1 38 38 ALA H H 1 8.60 . . 1 . . . . 17 Ala H . 17404 1 119 . 1 1 38 38 ALA HA H 1 4.77 . . 1 . . . . 17 Ala HA . 17404 1 120 . 1 1 38 38 ALA HB1 H 1 1.35 . . 1 . . . . 17 Ala HB1 . 17404 1 121 . 1 1 38 38 ALA HB2 H 1 1.35 . . 1 . . . . 17 Ala HB2 . 17404 1 122 . 1 1 38 38 ALA HB3 H 1 1.35 . . 1 . . . . 17 Ala HB3 . 17404 1 123 . 1 1 38 38 ALA C C 13 181.62 . . 1 . . . . 17 Ala C . 17404 1 124 . 1 1 38 38 ALA CA C 13 51.22 . . 1 . . . . 17 Ala CA . 17404 1 125 . 1 1 38 38 ALA CB C 13 18.85 . . 1 . . . . 17 Ala CB . 17404 1 126 . 1 1 38 38 ALA N N 15 117.58 . . 1 . . . . 17 Ala N . 17404 1 127 . 1 1 39 39 THR H H 1 7.80 . . 1 . . . . 18 Thr H . 17404 1 128 . 1 1 39 39 THR HA H 1 4.53 . . 1 . . . . 18 Thr HA . 17404 1 129 . 1 1 39 39 THR HB H 1 4.32 . . 1 . . . . 18 Thr HB . 17404 1 130 . 1 1 39 39 THR C C 13 177.99 . . 1 . . . . 18 Thr C . 17404 1 131 . 1 1 39 39 THR CA C 13 60.98 . . 1 . . . . 18 Thr CA . 17404 1 132 . 1 1 39 39 THR CB C 13 71.66 . . 1 . . . . 18 Thr CB . 17404 1 133 . 1 1 39 39 THR N N 15 109.78 . . 1 . . . . 18 Thr N . 17404 1 134 . 1 1 40 40 ARG H H 1 7.86 . . 1 . . . . 19 Arg H . 17404 1 135 . 1 1 40 40 ARG HA H 1 3.60 . . 1 . . . . 19 Arg HA . 17404 1 136 . 1 1 40 40 ARG C C 13 180.18 . . 1 . . . . 19 Arg C . 17404 1 137 . 1 1 40 40 ARG CA C 13 60.58 . . 1 . . . . 19 Arg CA . 17404 1 138 . 1 1 40 40 ARG CB C 13 31.00 . . 1 . . . . 19 Arg CB . 17404 1 139 . 1 1 40 40 ARG N N 15 117.03 . . 1 . . . . 19 Arg N . 17404 1 140 . 1 1 41 41 ALA H H 1 7.98 . . 1 . . . . 20 Ala H . 17404 1 141 . 1 1 41 41 ALA HA H 1 3.98 . . 1 . . . . 20 Ala HA . 17404 1 142 . 1 1 41 41 ALA HB1 H 1 1.25 . . 1 . . . . 20 Ala HB1 . 17404 1 143 . 1 1 41 41 ALA HB2 H 1 1.25 . . 1 . . . . 20 Ala HB2 . 17404 1 144 . 1 1 41 41 ALA HB3 H 1 1.25 . . 1 . . . . 20 Ala HB3 . 17404 1 145 . 1 1 41 41 ALA C C 13 178.54 . . 1 . . . . 20 Ala C . 17404 1 146 . 1 1 41 41 ALA CA C 13 52.69 . . 1 . . . . 20 Ala CA . 17404 1 147 . 1 1 41 41 ALA CB C 13 17.63 . . 1 . . . . 20 Ala CB . 17404 1 148 . 1 1 41 41 ALA N N 15 116.35 . . 1 . . . . 20 Ala N . 17404 1 149 . 1 1 42 42 ASN H H 1 7.48 . . 1 . . . . 21 Asn H . 17404 1 150 . 1 1 42 42 ASN HA H 1 4.82 . . 1 . . . . 21 Asn HA . 17404 1 151 . 1 1 42 42 ASN HB2 H 1 2.64 . . 2 . . . . 21 Asn HB2 . 17404 1 152 . 1 1 42 42 ASN HB3 H 1 2.90 . . 2 . . . . 21 Asn HB3 . 17404 1 153 . 1 1 42 42 ASN C C 13 178.90 . . 1 . . . . 21 Asn C . 17404 1 154 . 1 1 42 42 ASN CA C 13 51.84 . . 1 . . . . 21 Asn CA . 17404 1 155 . 1 1 42 42 ASN CB C 13 36.94 . . 1 . . . . 21 Asn CB . 17404 1 156 . 1 1 42 42 ASN N N 15 114.55 . . 1 . . . . 21 Asn N . 17404 1 157 . 1 1 43 43 ALA H H 1 7.14 . . 1 . . . . 22 Ala H . 17404 1 158 . 1 1 43 43 ALA HA H 1 2.96 . . 1 . . . . 22 Ala HA . 17404 1 159 . 1 1 43 43 ALA HB1 H 1 0.96 . . 1 . . . . 22 Ala HB1 . 17404 1 160 . 1 1 43 43 ALA HB2 H 1 0.96 . . 1 . . . . 22 Ala HB2 . 17404 1 161 . 1 1 43 43 ALA HB3 H 1 0.96 . . 1 . . . . 22 Ala HB3 . 17404 1 162 . 1 1 43 43 ALA C C 13 182.33 . . 1 . . . . 22 Ala C . 17404 1 163 . 1 1 43 43 ALA CA C 13 54.96 . . 1 . . . . 22 Ala CA . 17404 1 164 . 1 1 43 43 ALA CB C 13 16.97 . . 1 . . . . 22 Ala CB . 17404 1 165 . 1 1 43 43 ALA N N 15 121.01 . . 1 . . . . 22 Ala N . 17404 1 166 . 1 1 44 44 GLY H H 1 9.06 . . 1 . . . . 23 Gly H . 17404 1 167 . 1 1 44 44 GLY HA2 H 1 3.82 . . 2 . . . . 23 Gly HA2 . 17404 1 168 . 1 1 44 44 GLY HA3 H 1 3.44 . . 2 . . . . 23 Gly HA3 . 17404 1 169 . 1 1 44 44 GLY C C 13 180.06 . . 1 . . . . 23 Gly C . 17404 1 170 . 1 1 44 44 GLY CA C 13 47.02 . . 1 . . . . 23 Gly CA . 17404 1 171 . 1 1 44 44 GLY N N 15 102.18 . . 1 . . . . 23 Gly N . 17404 1 172 . 1 1 45 45 ALA H H 1 7.19 . . 1 . . . . 24 Ala H . 17404 1 173 . 1 1 45 45 ALA HA H 1 3.90 . . 1 . . . . 24 Ala HA . 17404 1 174 . 1 1 45 45 ALA HB1 H 1 1.38 . . 1 . . . . 24 Ala HB1 . 17404 1 175 . 1 1 45 45 ALA HB2 H 1 1.38 . . 1 . . . . 24 Ala HB2 . 17404 1 176 . 1 1 45 45 ALA HB3 H 1 1.38 . . 1 . . . . 24 Ala HB3 . 17404 1 177 . 1 1 45 45 ALA C C 13 183.33 . . 1 . . . . 24 Ala C . 17404 1 178 . 1 1 45 45 ALA CA C 13 55.13 . . 1 . . . . 24 Ala CA . 17404 1 179 . 1 1 45 45 ALA CB C 13 18.44 . . 1 . . . . 24 Ala CB . 17404 1 180 . 1 1 45 45 ALA N N 15 126.13 . . 1 . . . . 24 Ala N . 17404 1 181 . 1 1 46 46 TRP H H 1 8.43 . . 1 . . . . 25 Trp H . 17404 1 182 . 1 1 46 46 TRP HA H 1 4.60 . . 1 . . . . 25 Trp HA . 17404 1 183 . 1 1 46 46 TRP HB2 H 1 3.13 . . 2 . . . . 25 Trp HB2 . 17404 1 184 . 1 1 46 46 TRP HB3 H 1 3.80 . . 2 . . . . 25 Trp HB3 . 17404 1 185 . 1 1 46 46 TRP C C 13 184.30 . . 1 . . . . 25 Trp C . 17404 1 186 . 1 1 46 46 TRP CA C 13 57.74 . . 1 . . . . 25 Trp CA . 17404 1 187 . 1 1 46 46 TRP CB C 13 28.33 . . 1 . . . . 25 Trp CB . 17404 1 188 . 1 1 46 46 TRP N N 15 119.81 . . 1 . . . . 25 Trp N . 17404 1 189 . 1 1 47 47 PHE H H 1 7.76 . . 1 . . . . 26 Phe H . 17404 1 190 . 1 1 47 47 PHE HA H 1 4.25 . . 1 . . . . 26 Phe HA . 17404 1 191 . 1 1 47 47 PHE HB2 H 1 3.50 . . 2 . . . . 26 Phe HB2 . 17404 1 192 . 1 1 47 47 PHE HB3 H 1 3.50 . . 2 . . . . 26 Phe HB3 . 17404 1 193 . 1 1 47 47 PHE C C 13 178.93 . . 1 . . . . 26 Phe C . 17404 1 194 . 1 1 47 47 PHE CA C 13 60.65 . . 1 . . . . 26 Phe CA . 17404 1 195 . 1 1 47 47 PHE CB C 13 38.03 . . 1 . . . . 26 Phe CB . 17404 1 196 . 1 1 47 47 PHE N N 15 119.39 . . 1 . . . . 26 Phe N . 17404 1 197 . 1 1 48 48 VAL H H 1 7.85 . . 1 . . . . 27 Val H . 17404 1 198 . 1 1 48 48 VAL HA H 1 2.99 . . 1 . . . . 27 Val HA . 17404 1 199 . 1 1 48 48 VAL HB H 1 1.79 . . 1 . . . . 27 Val HB . 17404 1 200 . 1 1 48 48 VAL C C 13 180.78 . . 1 . . . . 27 Val C . 17404 1 201 . 1 1 48 48 VAL CA C 13 67.57 . . 1 . . . . 27 Val CA . 17404 1 202 . 1 1 48 48 VAL CB C 13 31.03 . . 1 . . . . 27 Val CB . 17404 1 203 . 1 1 48 48 VAL N N 15 120.69 . . 1 . . . . 27 Val N . 17404 1 204 . 1 1 49 49 ASP H H 1 9.13 . . 1 . . . . 28 Asp H . 17404 1 205 . 1 1 49 49 ASP HA H 1 4.14 . . 1 . . . . 28 Asp HA . 17404 1 206 . 1 1 49 49 ASP HB2 H 1 2.58 . . 2 . . . . 28 Asp HB2 . 17404 1 207 . 1 1 49 49 ASP HB3 H 1 2.77 . . 2 . . . . 28 Asp HB3 . 17404 1 208 . 1 1 49 49 ASP C C 13 181.94 . . 1 . . . . 28 Asp C . 17404 1 209 . 1 1 49 49 ASP CA C 13 56.74 . . 1 . . . . 28 Asp CA . 17404 1 210 . 1 1 49 49 ASP CB C 13 39.83 . . 1 . . . . 28 Asp CB . 17404 1 211 . 1 1 49 49 ASP N N 15 119.10 . . 1 . . . . 28 Asp N . 17404 1 212 . 1 1 50 50 LEU H H 1 7.49 . . 1 . . . . 29 Leu H . 17404 1 213 . 1 1 50 50 LEU HA H 1 4.05 . . 1 . . . . 29 Leu HA . 17404 1 214 . 1 1 50 50 LEU HB2 H 1 1.50 . . 2 . . . . 29 Leu HB2 . 17404 1 215 . 1 1 50 50 LEU HB3 H 1 1.50 . . 2 . . . . 29 Leu HB3 . 17404 1 216 . 1 1 50 50 LEU C C 13 182.92 . . 1 . . . . 29 Leu C . 17404 1 217 . 1 1 50 50 LEU CA C 13 57.67 . . 1 . . . . 29 Leu CA . 17404 1 218 . 1 1 50 50 LEU CB C 13 41.07 . . 1 . . . . 29 Leu CB . 17404 1 219 . 1 1 50 50 LEU N N 15 120.82 . . 1 . . . . 29 Leu N . 17404 1 220 . 1 1 51 51 LEU H H 1 7.63 . . 1 . . . . 30 Leu H . 17404 1 221 . 1 1 51 51 LEU HA H 1 3.55 . . 1 . . . . 30 Leu HA . 17404 1 222 . 1 1 51 51 LEU HB2 H 1 1.40 . . 2 . . . . 30 Leu HB2 . 17404 1 223 . 1 1 51 51 LEU HB3 H 1 1.02 . . 2 . . . . 30 Leu HB3 . 17404 1 224 . 1 1 51 51 LEU C C 13 181.76 . . 1 . . . . 30 Leu C . 17404 1 225 . 1 1 51 51 LEU CA C 13 57.92 . . 1 . . . . 30 Leu CA . 17404 1 226 . 1 1 51 51 LEU CB C 13 41.73 . . 1 . . . . 30 Leu CB . 17404 1 227 . 1 1 51 51 LEU N N 15 119.48 . . 1 . . . . 30 Leu N . 17404 1 228 . 1 1 52 52 ALA H H 1 8.39 . . 1 . . . . 31 Ala H . 17404 1 229 . 1 1 52 52 ALA HA H 1 3.41 . . 1 . . . . 31 Ala HA . 17404 1 230 . 1 1 52 52 ALA HB1 H 1 1.29 . . 1 . . . . 31 Ala HB1 . 17404 1 231 . 1 1 52 52 ALA HB2 H 1 1.29 . . 1 . . . . 31 Ala HB2 . 17404 1 232 . 1 1 52 52 ALA HB3 H 1 1.29 . . 1 . . . . 31 Ala HB3 . 17404 1 233 . 1 1 52 52 ALA C C 13 183.66 . . 1 . . . . 31 Ala C . 17404 1 234 . 1 1 52 52 ALA CA C 13 55.20 . . 1 . . . . 31 Ala CA . 17404 1 235 . 1 1 52 52 ALA CB C 13 17.74 . . 1 . . . . 31 Ala CB . 17404 1 236 . 1 1 52 52 ALA N N 15 119.87 . . 1 . . . . 31 Ala N . 17404 1 237 . 1 1 53 53 GLU H H 1 7.86 . . 1 . . . . 32 Glu H . 17404 1 238 . 1 1 53 53 GLU HA H 1 3.86 . . 1 . . . . 32 Glu HA . 17404 1 239 . 1 1 53 53 GLU HB2 H 1 2.04 . . 2 . . . . 32 Glu HB2 . 17404 1 240 . 1 1 53 53 GLU HB3 H 1 2.04 . . 2 . . . . 32 Glu HB3 . 17404 1 241 . 1 1 53 53 GLU C C 13 184.71 . . 1 . . . . 32 Glu C . 17404 1 242 . 1 1 53 53 GLU CA C 13 58.57 . . 1 . . . . 32 Glu CA . 17404 1 243 . 1 1 53 53 GLU CB C 13 29.13 . . 1 . . . . 32 Glu CB . 17404 1 244 . 1 1 53 53 GLU N N 15 116.97 . . 1 . . . . 32 Glu N . 17404 1 245 . 1 1 54 54 ARG H H 1 8.74 . . 1 . . . . 33 Arg H . 17404 1 246 . 1 1 54 54 ARG HA H 1 3.85 . . 1 . . . . 33 Arg HA . 17404 1 247 . 1 1 54 54 ARG HB2 H 1 1.75 . . 2 . . . . 33 Arg HB2 . 17404 1 248 . 1 1 54 54 ARG HB3 H 1 1.75 . . 2 . . . . 33 Arg HB3 . 17404 1 249 . 1 1 54 54 ARG C C 13 182.31 . . 1 . . . . 33 Arg C . 17404 1 250 . 1 1 54 54 ARG CA C 13 59.16 . . 1 . . . . 33 Arg CA . 17404 1 251 . 1 1 54 54 ARG CB C 13 29.91 . . 1 . . . . 33 Arg CB . 17404 1 252 . 1 1 54 54 ARG N N 15 121.47 . . 1 . . . . 33 Arg N . 17404 1 253 . 1 1 55 55 LEU H H 1 7.99 . . 1 . . . . 34 Leu H . 17404 1 254 . 1 1 55 55 LEU HA H 1 4.21 . . 1 . . . . 34 Leu HA . 17404 1 255 . 1 1 55 55 LEU HB2 H 1 1.59 . . 2 . . . . 34 Leu HB2 . 17404 1 256 . 1 1 55 55 LEU HB3 H 1 1.52 . . 2 . . . . 34 Leu HB3 . 17404 1 257 . 1 1 55 55 LEU C C 13 179.10 . . 1 . . . . 34 Leu C . 17404 1 258 . 1 1 55 55 LEU CA C 13 53.66 . . 1 . . . . 34 Leu CA . 17404 1 259 . 1 1 55 55 LEU CB C 13 39.67 . . 1 . . . . 34 Leu CB . 17404 1 260 . 1 1 55 55 LEU N N 15 116.48 . . 1 . . . . 34 Leu N . 17404 1 261 . 1 1 56 56 ARG H H 1 7.46 . . 1 . . . . 35 Arg H . 17404 1 262 . 1 1 56 56 ARG HA H 1 3.71 . . 1 . . . . 35 Arg HA . 17404 1 263 . 1 1 56 56 ARG HB2 H 1 1.78 . . 2 . . . . 35 Arg HB2 . 17404 1 264 . 1 1 56 56 ARG HB3 H 1 1.97 . . 2 . . . . 35 Arg HB3 . 17404 1 265 . 1 1 56 56 ARG C C 13 178.51 . . 1 . . . . 35 Arg C . 17404 1 266 . 1 1 56 56 ARG CA C 13 56.02 . . 1 . . . . 35 Arg CA . 17404 1 267 . 1 1 56 56 ARG CB C 13 26.01 . . 1 . . . . 35 Arg CB . 17404 1 268 . 1 1 56 56 ARG N N 15 115.72 . . 1 . . . . 35 Arg N . 17404 1 269 . 1 1 57 57 ALA H H 1 8.39 . . 1 . . . . 36 Ala H . 17404 1 270 . 1 1 57 57 ALA HA H 1 4.73 . . 1 . . . . 36 Ala HA . 17404 1 271 . 1 1 57 57 ALA HB1 H 1 0.96 . . 1 . . . . 36 Ala HB1 . 17404 1 272 . 1 1 57 57 ALA HB2 H 1 0.96 . . 1 . . . . 36 Ala HB2 . 17404 1 273 . 1 1 57 57 ALA HB3 H 1 0.96 . . 1 . . . . 36 Ala HB3 . 17404 1 274 . 1 1 57 57 ALA CA C 13 48.77 . . 1 . . . . 36 Ala CA . 17404 1 275 . 1 1 57 57 ALA CB C 13 19.85 . . 1 . . . . 36 Ala CB . 17404 1 276 . 1 1 57 57 ALA N N 15 122.94 . . 1 . . . . 36 Ala N . 17404 1 277 . 1 1 58 58 PRO HA H 1 3.98 . . 1 . . . . 37 Pro HA . 17404 1 278 . 1 1 58 58 PRO HB2 H 1 2.14 . . 2 . . . . 37 Pro HB2 . 17404 1 279 . 1 1 58 58 PRO HB3 H 1 2.14 . . 2 . . . . 37 Pro HB3 . 17404 1 280 . 1 1 58 58 PRO C C 13 180.57 . . 1 . . . . 37 Pro C . 17404 1 281 . 1 1 58 58 PRO CA C 13 62.47 . . 1 . . . . 37 Pro CA . 17404 1 282 . 1 1 58 58 PRO CB C 13 31.78 . . 1 . . . . 37 Pro CB . 17404 1 283 . 1 1 59 59 LEU H H 1 8.27 . . 1 . . . . 38 Leu H . 17404 1 284 . 1 1 59 59 LEU HA H 1 4.09 . . 1 . . . . 38 Leu HA . 17404 1 285 . 1 1 59 59 LEU HB2 H 1 1.18 . . 2 . . . . 38 Leu HB2 . 17404 1 286 . 1 1 59 59 LEU HB3 H 1 1.59 . . 2 . . . . 38 Leu HB3 . 17404 1 287 . 1 1 59 59 LEU C C 13 179.94 . . 1 . . . . 38 Leu C . 17404 1 288 . 1 1 59 59 LEU CA C 13 54.92 . . 1 . . . . 38 Leu CA . 17404 1 289 . 1 1 59 59 LEU CB C 13 42.72 . . 1 . . . . 38 Leu CB . 17404 1 290 . 1 1 59 59 LEU N N 15 121.78 . . 1 . . . . 38 Leu N . 17404 1 291 . 1 1 60 60 ARG H H 1 8.72 . . 1 . . . . 39 Arg H . 17404 1 292 . 1 1 60 60 ARG HA H 1 4.67 . . 1 . . . . 39 Arg HA . 17404 1 293 . 1 1 60 60 ARG HB2 H 1 1.77 . . 2 . . . . 39 Arg HB2 . 17404 1 294 . 1 1 60 60 ARG HB3 H 1 1.77 . . 2 . . . . 39 Arg HB3 . 17404 1 295 . 1 1 60 60 ARG C C 13 179.15 . . 1 . . . . 39 Arg C . 17404 1 296 . 1 1 60 60 ARG CA C 13 54.14 . . 1 . . . . 39 Arg CA . 17404 1 297 . 1 1 60 60 ARG CB C 13 33.50 . . 1 . . . . 39 Arg CB . 17404 1 298 . 1 1 60 60 ARG N N 15 121.04 . . 1 . . . . 39 Arg N . 17404 1 299 . 1 1 61 61 GLU H H 1 8.83 . . 1 . . . . 40 Glu H . 17404 1 300 . 1 1 61 61 GLU HA H 1 3.50 . . 1 . . . . 40 Glu HA . 17404 1 301 . 1 1 61 61 GLU HB2 H 1 1.38 . . 2 . . . . 40 Glu HB2 . 17404 1 302 . 1 1 61 61 GLU HB3 H 1 1.68 . . 2 . . . . 40 Glu HB3 . 17404 1 303 . 1 1 61 61 GLU C C 13 179.79 . . 1 . . . . 40 Glu C . 17404 1 304 . 1 1 61 61 GLU CA C 13 57.99 . . 1 . . . . 40 Glu CA . 17404 1 305 . 1 1 61 61 GLU CB C 13 29.27 . . 1 . . . . 40 Glu CB . 17404 1 306 . 1 1 61 61 GLU N N 15 125.73 . . 1 . . . . 40 Glu N . 17404 1 307 . 1 1 62 62 GLU H H 1 8.76 . . 1 . . . . 41 Glu H . 17404 1 308 . 1 1 62 62 GLU HA H 1 4.40 . . 1 . . . . 41 Glu HA . 17404 1 309 . 1 1 62 62 GLU HB2 H 1 1.75 . . 2 . . . . 41 Glu HB2 . 17404 1 310 . 1 1 62 62 GLU HB3 H 1 1.92 . . 2 . . . . 41 Glu HB3 . 17404 1 311 . 1 1 62 62 GLU C C 13 179.10 . . 1 . . . . 41 Glu C . 17404 1 312 . 1 1 62 62 GLU CA C 13 55.02 . . 1 . . . . 41 Glu CA . 17404 1 313 . 1 1 62 62 GLU CB C 13 30.81 . . 1 . . . . 41 Glu CB . 17404 1 314 . 1 1 62 62 GLU N N 15 128.99 . . 1 . . . . 41 Glu N . 17404 1 315 . 1 1 63 63 ALA H H 1 8.55 . . 1 . . . . 42 Ala H . 17404 1 316 . 1 1 63 63 ALA HA H 1 3.79 . . 1 . . . . 42 Ala HA . 17404 1 317 . 1 1 63 63 ALA HB1 H 1 1.14 . . 1 . . . . 42 Ala HB1 . 17404 1 318 . 1 1 63 63 ALA HB2 H 1 1.14 . . 1 . . . . 42 Ala HB2 . 17404 1 319 . 1 1 63 63 ALA HB3 H 1 1.14 . . 1 . . . . 42 Ala HB3 . 17404 1 320 . 1 1 63 63 ALA C C 13 184.62 . . 1 . . . . 42 Ala C . 17404 1 321 . 1 1 63 63 ALA CA C 13 54.97 . . 1 . . . . 42 Ala CA . 17404 1 322 . 1 1 63 63 ALA CB C 13 17.80 . . 1 . . . . 42 Ala CB . 17404 1 323 . 1 1 63 63 ALA N N 15 129.34 . . 1 . . . . 42 Ala N . 17404 1 324 . 1 1 64 64 LYS H H 1 8.23 . . 1 . . . . 43 Lys H . 17404 1 325 . 1 1 64 64 LYS HA H 1 3.42 . . 1 . . . . 43 Lys HA . 17404 1 326 . 1 1 64 64 LYS HB2 H 1 0.86 . . 2 . . . . 43 Lys HB2 . 17404 1 327 . 1 1 64 64 LYS HB3 H 1 1.16 . . 2 . . . . 43 Lys HB3 . 17404 1 328 . 1 1 64 64 LYS C C 13 178.55 . . 1 . . . . 43 Lys C . 17404 1 329 . 1 1 64 64 LYS CA C 13 57.30 . . 1 . . . . 43 Lys CA . 17404 1 330 . 1 1 64 64 LYS CB C 13 30.99 . . 1 . . . . 43 Lys CB . 17404 1 331 . 1 1 64 64 LYS N N 15 115.86 . . 1 . . . . 43 Lys N . 17404 1 332 . 1 1 65 65 PHE H H 1 7.06 . . 1 . . . . 44 Phe H . 17404 1 333 . 1 1 65 65 PHE HA H 1 4.73 . . 1 . . . . 44 Phe HA . 17404 1 334 . 1 1 65 65 PHE HB2 H 1 2.30 . . 2 . . . . 44 Phe HB2 . 17404 1 335 . 1 1 65 65 PHE HB3 H 1 3.54 . . 2 . . . . 44 Phe HB3 . 17404 1 336 . 1 1 65 65 PHE C C 13 176.77 . . 1 . . . . 44 Phe C . 17404 1 337 . 1 1 65 65 PHE CA C 13 54.01 . . 1 . . . . 44 Phe CA . 17404 1 338 . 1 1 65 65 PHE CB C 13 39.38 . . 1 . . . . 44 Phe CB . 17404 1 339 . 1 1 65 65 PHE N N 15 114.86 . . 1 . . . . 44 Phe N . 17404 1 340 . 1 1 66 66 PHE H H 1 6.94 . . 1 . . . . 45 Phe H . 17404 1 341 . 1 1 66 66 PHE HA H 1 3.75 . . 1 . . . . 45 Phe HA . 17404 1 342 . 1 1 66 66 PHE HB2 H 1 3.02 . . 2 . . . . 45 Phe HB2 . 17404 1 343 . 1 1 66 66 PHE HB3 H 1 3.02 . . 2 . . . . 45 Phe HB3 . 17404 1 344 . 1 1 66 66 PHE C C 13 179.33 . . 1 . . . . 45 Phe C . 17404 1 345 . 1 1 66 66 PHE CA C 13 57.57 . . 1 . . . . 45 Phe CA . 17404 1 346 . 1 1 66 66 PHE CB C 13 35.64 . . 1 . . . . 45 Phe CB . 17404 1 347 . 1 1 66 66 PHE N N 15 110.07 . . 1 . . . . 45 Phe N . 17404 1 348 . 1 1 67 67 GLY H H 1 6.76 . . 1 . . . . 46 Gly H . 17404 1 349 . 1 1 67 67 GLY HA2 H 1 3.88 . . 2 . . . . 46 Gly HA2 . 17404 1 350 . 1 1 67 67 GLY HA3 H 1 4.60 . . 2 . . . . 46 Gly HA3 . 17404 1 351 . 1 1 67 67 GLY C C 13 175.10 . . 1 . . . . 46 Gly C . 17404 1 352 . 1 1 67 67 GLY CA C 13 46.86 . . 1 . . . . 46 Gly CA . 17404 1 353 . 1 1 67 67 GLY N N 15 98.59 . . 1 . . . . 46 Gly N . 17404 1 354 . 1 1 68 68 TYR H H 1 9.07 . . 1 . . . . 47 Tyr H . 17404 1 355 . 1 1 68 68 TYR HA H 1 4.75 . . 1 . . . . 47 Tyr HA . 17404 1 356 . 1 1 68 68 TYR HB2 H 1 2.60 . . 2 . . . . 47 Tyr HB2 . 17404 1 357 . 1 1 68 68 TYR HB3 H 1 2.83 . . 2 . . . . 47 Tyr HB3 . 17404 1 358 . 1 1 68 68 TYR C C 13 179.60 . . 1 . . . . 47 Tyr C . 17404 1 359 . 1 1 68 68 TYR CA C 13 56.09 . . 1 . . . . 47 Tyr CA . 17404 1 360 . 1 1 68 68 TYR CB C 13 40.23 . . 1 . . . . 47 Tyr CB . 17404 1 361 . 1 1 68 68 TYR N N 15 120.00 . . 1 . . . . 47 Tyr N . 17404 1 362 . 1 1 69 69 THR H H 1 9.27 . . 1 . . . . 48 Thr H . 17404 1 363 . 1 1 69 69 THR HA H 1 5.65 . . 1 . . . . 48 Thr HA . 17404 1 364 . 1 1 69 69 THR HB H 1 4.20 . . 1 . . . . 48 Thr HB . 17404 1 365 . 1 1 69 69 THR C C 13 178.35 . . 1 . . . . 48 Thr C . 17404 1 366 . 1 1 69 69 THR CA C 13 58.51 . . 1 . . . . 48 Thr CA . 17404 1 367 . 1 1 69 69 THR CB C 13 72.42 . . 1 . . . . 48 Thr CB . 17404 1 368 . 1 1 69 69 THR N N 15 112.58 . . 1 . . . . 48 Thr N . 17404 1 369 . 1 1 70 70 SER H H 1 7.95 . . 1 . . . . 49 Ser H . 17404 1 370 . 1 1 70 70 SER HA H 1 4.45 . . 1 . . . . 49 Ser HA . 17404 1 371 . 1 1 70 70 SER HB2 H 1 3.51 . . 2 . . . . 49 Ser HB2 . 17404 1 372 . 1 1 70 70 SER HB3 H 1 3.71 . . 2 . . . . 49 Ser HB3 . 17404 1 373 . 1 1 70 70 SER C C 13 177.58 . . 1 . . . . 49 Ser C . 17404 1 374 . 1 1 70 70 SER CA C 13 56.87 . . 1 . . . . 49 Ser CA . 17404 1 375 . 1 1 70 70 SER CB C 13 64.68 . . 1 . . . . 49 Ser CB . 17404 1 376 . 1 1 70 70 SER N N 15 113.76 . . 1 . . . . 49 Ser N . 17404 1 377 . 1 1 71 71 ARG H H 1 8.20 . . 1 . . . . 50 Arg H . 17404 1 378 . 1 1 71 71 ARG HA H 1 4.93 . . 1 . . . . 50 Arg HA . 17404 1 379 . 1 1 71 71 ARG HB2 H 1 1.45 . . 2 . . . . 50 Arg HB2 . 17404 1 380 . 1 1 71 71 ARG HB3 H 1 1.62 . . 2 . . . . 50 Arg HB3 . 17404 1 381 . 1 1 71 71 ARG C C 13 177.87 . . 1 . . . . 50 Arg C . 17404 1 382 . 1 1 71 71 ARG CA C 13 55.15 . . 1 . . . . 50 Arg CA . 17404 1 383 . 1 1 71 71 ARG CB C 13 32.60 . . 1 . . . . 50 Arg CB . 17404 1 384 . 1 1 71 71 ARG N N 15 123.79 . . 1 . . . . 50 Arg N . 17404 1 385 . 1 1 72 72 VAL H H 1 9.02 . . 1 . . . . 51 Val H . 17404 1 386 . 1 1 72 72 VAL HA H 1 4.55 . . 1 . . . . 51 Val HA . 17404 1 387 . 1 1 72 72 VAL HB H 1 1.88 . . 1 . . . . 51 Val HB . 17404 1 388 . 1 1 72 72 VAL C C 13 177.51 . . 1 . . . . 51 Val C . 17404 1 389 . 1 1 72 72 VAL CA C 13 58.35 . . 1 . . . . 51 Val CA . 17404 1 390 . 1 1 72 72 VAL CB C 13 35.28 . . 1 . . . . 51 Val CB . 17404 1 391 . 1 1 72 72 VAL N N 15 119.30 . . 1 . . . . 51 Val N . 17404 1 392 . 1 1 73 73 THR H H 1 8.00 . . 1 . . . . 52 Thr H . 17404 1 393 . 1 1 73 73 THR HA H 1 5.02 . . 1 . . . . 52 Thr HA . 17404 1 394 . 1 1 73 73 THR HB H 1 3.68 . . 1 . . . . 52 Thr HB . 17404 1 395 . 1 1 73 73 THR C C 13 177.71 . . 1 . . . . 52 Thr C . 17404 1 396 . 1 1 73 73 THR CA C 13 60.68 . . 1 . . . . 52 Thr CA . 17404 1 397 . 1 1 73 73 THR CB C 13 69.16 . . 1 . . . . 52 Thr CB . 17404 1 398 . 1 1 73 73 THR N N 15 117.65 . . 1 . . . . 52 Thr N . 17404 1 399 . 1 1 74 74 LEU H H 1 8.46 . . 1 . . . . 53 Leu H . 17404 1 400 . 1 1 74 74 LEU HA H 1 4.34 . . 1 . . . . 53 Leu HA . 17404 1 401 . 1 1 74 74 LEU HB2 H 1 0.48 . . 2 . . . . 53 Leu HB2 . 17404 1 402 . 1 1 74 74 LEU HB3 H 1 0.50 . . 2 . . . . 53 Leu HB3 . 17404 1 403 . 1 1 74 74 LEU C C 13 179.95 . . 1 . . . . 53 Leu C . 17404 1 404 . 1 1 74 74 LEU CA C 13 52.96 . . 1 . . . . 53 Leu CA . 17404 1 405 . 1 1 74 74 LEU CB C 13 44.56 . . 1 . . . . 53 Leu CB . 17404 1 406 . 1 1 74 74 LEU N N 15 128.06 . . 1 . . . . 53 Leu N . 17404 1 407 . 1 1 75 75 GLY H H 1 9.15 . . 1 . . . . 54 Gly H . 17404 1 408 . 1 1 75 75 GLY HA2 H 1 3.65 . . 2 . . . . 54 Gly HA2 . 17404 1 409 . 1 1 75 75 GLY HA3 H 1 3.75 . . 2 . . . . 54 Gly HA3 . 17404 1 410 . 1 1 75 75 GLY C C 13 179.00 . . 1 . . . . 54 Gly C . 17404 1 411 . 1 1 75 75 GLY CA C 13 46.92 . . 1 . . . . 54 Gly CA . 17404 1 412 . 1 1 75 75 GLY N N 15 113.02 . . 1 . . . . 54 Gly N . 17404 1 413 . 1 1 76 76 GLY H H 1 8.22 . . 1 . . . . 55 Gly H . 17404 1 414 . 1 1 76 76 GLY HA2 H 1 3.38 . . 2 . . . . 55 Gly HA2 . 17404 1 415 . 1 1 76 76 GLY HA3 H 1 4.03 . . 2 . . . . 55 Gly HA3 . 17404 1 416 . 1 1 76 76 GLY C C 13 177.38 . . 1 . . . . 55 Gly C . 17404 1 417 . 1 1 76 76 GLY CA C 13 44.60 . . 1 . . . . 55 Gly CA . 17404 1 418 . 1 1 76 76 GLY N N 15 104.17 . . 1 . . . . 55 Gly N . 17404 1 419 . 1 1 77 77 GLU H H 1 7.74 . . 1 . . . . 56 Glu H . 17404 1 420 . 1 1 77 77 GLU HA H 1 4.52 . . 1 . . . . 56 Glu HA . 17404 1 421 . 1 1 77 77 GLU HB2 H 1 1.87 . . 2 . . . . 56 Glu HB2 . 17404 1 422 . 1 1 77 77 GLU HB3 H 1 1.87 . . 2 . . . . 56 Glu HB3 . 17404 1 423 . 1 1 77 77 GLU C C 13 178.28 . . 1 . . . . 56 Glu C . 17404 1 424 . 1 1 77 77 GLU CA C 13 53.85 . . 1 . . . . 56 Glu CA . 17404 1 425 . 1 1 77 77 GLU CB C 13 31.13 . . 1 . . . . 56 Glu CB . 17404 1 426 . 1 1 77 77 GLU N N 15 120.77 . . 1 . . . . 56 Glu N . 17404 1 427 . 1 1 78 78 ASP H H 1 8.42 . . 1 . . . . 57 Asp H . 17404 1 428 . 1 1 78 78 ASP HA H 1 4.73 . . 1 . . . . 57 Asp HA . 17404 1 429 . 1 1 78 78 ASP HB2 H 1 2.32 . . 2 . . . . 57 Asp HB2 . 17404 1 430 . 1 1 78 78 ASP HB3 H 1 2.56 . . 2 . . . . 57 Asp HB3 . 17404 1 431 . 1 1 78 78 ASP C C 13 179.90 . . 1 . . . . 57 Asp C . 17404 1 432 . 1 1 78 78 ASP CA C 13 53.95 . . 1 . . . . 57 Asp CA . 17404 1 433 . 1 1 78 78 ASP CB C 13 41.35 . . 1 . . . . 57 Asp CB . 17404 1 434 . 1 1 78 78 ASP N N 15 121.11 . . 1 . . . . 57 Asp N . 17404 1 435 . 1 1 79 79 VAL H H 1 9.01 . . 1 . . . . 58 Val H . 17404 1 436 . 1 1 79 79 VAL HA H 1 3.99 . . 1 . . . . 58 Val HA . 17404 1 437 . 1 1 79 79 VAL HB H 1 1.40 . . 1 . . . . 58 Val HB . 17404 1 438 . 1 1 79 79 VAL C C 13 177.59 . . 1 . . . . 58 Val C . 17404 1 439 . 1 1 79 79 VAL CA C 13 61.28 . . 1 . . . . 58 Val CA . 17404 1 440 . 1 1 79 79 VAL CB C 13 34.57 . . 1 . . . . 58 Val CB . 17404 1 441 . 1 1 79 79 VAL N N 15 127.54 . . 1 . . . . 58 Val N . 17404 1 442 . 1 1 80 80 ARG H H 1 7.73 . . 1 . . . . 59 Arg H . 17404 1 443 . 1 1 80 80 ARG HA H 1 4.88 . . 1 . . . . 59 Arg HA . 17404 1 444 . 1 1 80 80 ARG HB2 H 1 2 . . 2 . . . . 59 Arg HB2 . 17404 1 445 . 1 1 80 80 ARG HB3 H 1 2 . . 2 . . . . 59 Arg HB3 . 17404 1 446 . 1 1 80 80 ARG C C 13 177.62 . . 1 . . . . 59 Arg C . 17404 1 447 . 1 1 80 80 ARG CA C 13 53.99 . . 1 . . . . 59 Arg CA . 17404 1 448 . 1 1 80 80 ARG CB C 13 31.64 . . 1 . . . . 59 Arg CB . 17404 1 449 . 1 1 80 80 ARG N N 15 124.06 . . 1 . . . . 59 Arg N . 17404 1 450 . 1 1 81 81 LEU H H 1 8.28 . . 1 . . . . 60 Leu H . 17404 1 451 . 1 1 81 81 LEU HA H 1 5.24 . . 1 . . . . 60 Leu HA . 17404 1 452 . 1 1 81 81 LEU HB2 H 1 1.47 . . 2 . . . . 60 Leu HB2 . 17404 1 453 . 1 1 81 81 LEU HB3 H 1 1.14 . . 2 . . . . 60 Leu HB3 . 17404 1 454 . 1 1 81 81 LEU C C 13 180.14 . . 1 . . . . 60 Leu C . 17404 1 455 . 1 1 81 81 LEU CA C 13 52.50 . . 1 . . . . 60 Leu CA . 17404 1 456 . 1 1 81 81 LEU CB C 13 43.44 . . 1 . . . . 60 Leu CB . 17404 1 457 . 1 1 81 81 LEU N N 15 120.93 . . 1 . . . . 60 Leu N . 17404 1 458 . 1 1 82 82 LEU H H 1 8.79 . . 1 . . . . 61 Leu H . 17404 1 459 . 1 1 82 82 LEU HA H 1 5.40 . . 1 . . . . 61 Leu HA . 17404 1 460 . 1 1 82 82 LEU HB2 H 1 2.00 . . 2 . . . . 61 Leu HB2 . 17404 1 461 . 1 1 82 82 LEU HB3 H 1 2.00 . . 2 . . . . 61 Leu HB3 . 17404 1 462 . 1 1 82 82 LEU C C 13 178.50 . . 1 . . . . 61 Leu C . 17404 1 463 . 1 1 82 82 LEU CA C 13 53.75 . . 1 . . . . 61 Leu CA . 17404 1 464 . 1 1 82 82 LEU CB C 13 46.31 . . 1 . . . . 61 Leu CB . 17404 1 465 . 1 1 82 82 LEU N N 15 122.16 . . 1 . . . . 61 Leu N . 17404 1 466 . 1 1 83 83 VAL H H 1 9.16 . . 1 . . . . 62 Val H . 17404 1 467 . 1 1 83 83 VAL HA H 1 5.19 . . 1 . . . . 62 Val HA . 17404 1 468 . 1 1 83 83 VAL HB H 1 1.96 . . 1 . . . . 62 Val HB . 17404 1 469 . 1 1 83 83 VAL C C 13 1 . . 1 . . . . 62 Val C . 17404 1 470 . 1 1 83 83 VAL CA C 13 59.02 . . 1 . . . . 62 Val CA . 17404 1 471 . 1 1 83 83 VAL CB C 13 35.17 . . 1 . . . . 62 Val CB . 17404 1 472 . 1 1 83 83 VAL N N 15 127.61 . . 1 . . . . 62 Val N . 17404 1 473 . 1 1 84 84 PRO C C 13 182.46 . . 1 . . . . 63 Pro C . 17404 1 474 . 1 1 84 84 PRO CA C 13 62.63 . . 1 . . . . 63 Pro CA . 17404 1 475 . 1 1 84 84 PRO CB C 13 6.11 . . 1 . . . . 63 Pro CB . 17404 1 476 . 1 1 85 85 THR H H 1 9.36 . . 1 . . . . 64 Thr H . 17404 1 477 . 1 1 85 85 THR HA H 1 4.33 . . 1 . . . . 64 Thr HA . 17404 1 478 . 1 1 85 85 THR HB H 1 4.46 . . 1 . . . . 64 Thr HB . 17404 1 479 . 1 1 85 85 THR C C 13 178.51 . . 1 . . . . 64 Thr C . 17404 1 480 . 1 1 85 85 THR CA C 13 60.20 . . 1 . . . . 64 Thr CA . 17404 1 481 . 1 1 85 85 THR CB C 13 67.38 . . 1 . . . . 64 Thr CB . 17404 1 482 . 1 1 85 85 THR N N 15 113.10 . . 1 . . . . 64 Thr N . 17404 1 483 . 1 1 86 86 THR H H 1 6.87 . . 1 . . . . 65 Thr H . 17404 1 484 . 1 1 86 86 THR HA H 1 4.12 . . 1 . . . . 65 Thr HA . 17404 1 485 . 1 1 86 86 THR HB H 1 4.32 . . 1 . . . . 65 Thr HB . 17404 1 486 . 1 1 86 86 THR C C 13 179.93 . . 1 . . . . 65 Thr C . 17404 1 487 . 1 1 86 86 THR CA C 13 60.48 . . 1 . . . . 65 Thr CA . 17404 1 488 . 1 1 86 86 THR CB C 13 70.67 . . 1 . . . . 65 Thr CB . 17404 1 489 . 1 1 86 86 THR N N 15 110.46 . . 1 . . . . 65 Thr N . 17404 1 490 . 1 1 87 87 PHE H H 1 7.95 . . 1 . . . . 66 Phe H . 17404 1 491 . 1 1 87 87 PHE HA H 1 4.12 . . 1 . . . . 66 Phe HA . 17404 1 492 . 1 1 87 87 PHE HB2 H 1 3.06 . . 2 . . . . 66 Phe HB2 . 17404 1 493 . 1 1 87 87 PHE HB3 H 1 3.06 . . 2 . . . . 66 Phe HB3 . 17404 1 494 . 1 1 87 87 PHE C C 13 183.13 . . 1 . . . . 66 Phe C . 17404 1 495 . 1 1 87 87 PHE CA C 13 60.54 . . 1 . . . . 66 Phe CA . 17404 1 496 . 1 1 87 87 PHE CB C 13 38.73 . . 1 . . . . 66 Phe CB . 17404 1 497 . 1 1 87 87 PHE N N 15 114.98 . . 1 . . . . 66 Phe N . 17404 1 498 . 1 1 88 88 MET H H 1 8.78 . . 1 . . . . 67 Met H . 17404 1 499 . 1 1 88 88 MET HA H 1 4.13 . . 1 . . . . 67 Met HA . 17404 1 500 . 1 1 88 88 MET HB2 H 1 2.07 . . 2 . . . . 67 Met HB2 . 17404 1 501 . 1 1 88 88 MET HB3 H 1 2.56 . . 2 . . . . 67 Met HB3 . 17404 1 502 . 1 1 88 88 MET C C 13 183.25 . . 1 . . . . 67 Met C . 17404 1 503 . 1 1 88 88 MET CA C 13 58.31 . . 1 . . . . 67 Met CA . 17404 1 504 . 1 1 88 88 MET CB C 13 31.90 . . 1 . . . . 67 Met CB . 17404 1 505 . 1 1 88 88 MET N N 15 123.05 . . 1 . . . . 67 Met N . 17404 1 506 . 1 1 89 89 ASN H H 1 8.59 . . 1 . . . . 68 Asn H . 17404 1 507 . 1 1 89 89 ASN HA H 1 4.13 . . 1 . . . . 68 Asn HA . 17404 1 508 . 1 1 89 89 ASN HB2 H 1 2.62 . . 2 . . . . 68 Asn HB2 . 17404 1 509 . 1 1 89 89 ASN HB3 H 1 2.97 . . 2 . . . . 68 Asn HB3 . 17404 1 510 . 1 1 89 89 ASN C C 13 177.26 . . 1 . . . . 68 Asn C . 17404 1 511 . 1 1 89 89 ASN CA C 13 53.97 . . 1 . . . . 68 Asn CA . 17404 1 512 . 1 1 89 89 ASN CB C 13 36.28 . . 1 . . . . 68 Asn CB . 17404 1 513 . 1 1 89 89 ASN N N 15 114.90 . . 1 . . . . 68 Asn N . 17404 1 514 . 1 1 90 90 LEU H H 1 7.55 . . 1 . . . . 69 Leu H . 17404 1 515 . 1 1 90 90 LEU HA H 1 4.94 . . 1 . . . . 69 Leu HA . 17404 1 516 . 1 1 90 90 LEU HB2 H 1 1.41 . . 2 . . . . 69 Leu HB2 . 17404 1 517 . 1 1 90 90 LEU HB3 H 1 1.41 . . 2 . . . . 69 Leu HB3 . 17404 1 518 . 1 1 90 90 LEU C C 13 182.02 . . 1 . . . . 69 Leu C . 17404 1 519 . 1 1 90 90 LEU CA C 13 53.54 . . 1 . . . . 69 Leu CA . 17404 1 520 . 1 1 90 90 LEU CB C 13 43.03 . . 1 . . . . 69 Leu CB . 17404 1 521 . 1 1 90 90 LEU N N 15 118.96 . . 1 . . . . 69 Leu N . 17404 1 522 . 1 1 91 91 SER H H 1 7.57 . . 1 . . . . 70 Ser H . 17404 1 523 . 1 1 91 91 SER HA H 1 4.30 . . 1 . . . . 70 Ser HA . 17404 1 524 . 1 1 91 91 SER HB2 H 1 3.66 . . 2 . . . . 70 Ser HB2 . 17404 1 525 . 1 1 91 91 SER HB3 H 1 3.66 . . 2 . . . . 70 Ser HB3 . 17404 1 526 . 1 1 91 91 SER C C 13 179.87 . . 1 . . . . 70 Ser C . 17404 1 527 . 1 1 91 91 SER CA C 13 62.89 . . 1 . . . . 70 Ser CA . 17404 1 528 . 1 1 91 91 SER CB C 13 65.03 . . 1 . . . . 70 Ser CB . 17404 1 529 . 1 1 91 91 SER N N 15 114.19 . . 1 . . . . 70 Ser N . 17404 1 530 . 1 1 92 92 GLY H H 1 10.23 . . 1 . . . . 71 Gly H . 17404 1 531 . 1 1 92 92 GLY HA2 H 1 3.38 . . 2 . . . . 71 Gly HA2 . 17404 1 532 . 1 1 92 92 GLY HA3 H 1 3.33 . . 2 . . . . 71 Gly HA3 . 17404 1 533 . 1 1 92 92 GLY C C 13 178.72 . . 1 . . . . 71 Gly C . 17404 1 534 . 1 1 92 92 GLY CA C 13 47.89 . . 1 . . . . 71 Gly CA . 17404 1 535 . 1 1 92 92 GLY N N 15 109.51 . . 1 . . . . 71 Gly N . 17404 1 536 . 1 1 93 93 LYS H H 1 8.07 . . 1 . . . . 72 Lys H . 17404 1 537 . 1 1 93 93 LYS HA H 1 3.87 . . 1 . . . . 72 Lys HA . 17404 1 538 . 1 1 93 93 LYS HB2 H 1 1.61 . . 2 . . . . 72 Lys HB2 . 17404 1 539 . 1 1 93 93 LYS HB3 H 1 1.61 . . 2 . . . . 72 Lys HB3 . 17404 1 540 . 1 1 93 93 LYS C C 13 182.89 . . 1 . . . . 72 Lys C . 17404 1 541 . 1 1 93 93 LYS CA C 13 58.94 . . 1 . . . . 72 Lys CA . 17404 1 542 . 1 1 93 93 LYS CB C 13 32.32 . . 1 . . . . 72 Lys CB . 17404 1 543 . 1 1 93 93 LYS N N 15 120.86 . . 1 . . . . 72 Lys N . 17404 1 544 . 1 1 94 94 ALA H H 1 6.79 . . 1 . . . . 73 Ala H . 17404 1 545 . 1 1 94 94 ALA HA H 1 4.42 . . 1 . . . . 73 Ala HA . 17404 1 546 . 1 1 94 94 ALA HB1 H 1 1.74 . . 1 . . . . 73 Ala HB1 . 17404 1 547 . 1 1 94 94 ALA HB2 H 1 1.74 . . 1 . . . . 73 Ala HB2 . 17404 1 548 . 1 1 94 94 ALA HB3 H 1 1.74 . . 1 . . . . 73 Ala HB3 . 17404 1 549 . 1 1 94 94 ALA C C 13 181.92 . . 1 . . . . 73 Ala C . 17404 1 550 . 1 1 94 94 ALA CA C 13 54.56 . . 1 . . . . 73 Ala CA . 17404 1 551 . 1 1 94 94 ALA CB C 13 19.80 . . 1 . . . . 73 Ala CB . 17404 1 552 . 1 1 94 94 ALA N N 15 120.77 . . 1 . . . . 73 Ala N . 17404 1 553 . 1 1 95 95 VAL H H 1 7.17 . . 1 . . . . 74 Val H . 17404 1 554 . 1 1 95 95 VAL HA H 1 3.07 . . 1 . . . . 74 Val HA . 17404 1 555 . 1 1 95 95 VAL HB H 1 1.69 . . 1 . . . . 74 Val HB . 17404 1 556 . 1 1 95 95 VAL C C 13 180.95 . . 1 . . . . 74 Val C . 17404 1 557 . 1 1 95 95 VAL CA C 13 66.85 . . 1 . . . . 74 Val CA . 17404 1 558 . 1 1 95 95 VAL CB C 13 31.72 . . 1 . . . . 74 Val CB . 17404 1 559 . 1 1 95 95 VAL N N 15 114.61 . . 1 . . . . 74 Val N . 17404 1 560 . 1 1 96 96 ALA H H 1 8.74 . . 1 . . . . 75 Ala H . 17404 1 561 . 1 1 96 96 ALA HA H 1 3.93 . . 1 . . . . 75 Ala HA . 17404 1 562 . 1 1 96 96 ALA HB1 H 1 1.30 . . 1 . . . . 75 Ala HB1 . 17404 1 563 . 1 1 96 96 ALA HB2 H 1 1.30 . . 1 . . . . 75 Ala HB2 . 17404 1 564 . 1 1 96 96 ALA HB3 H 1 1.30 . . 1 . . . . 75 Ala HB3 . 17404 1 565 . 1 1 96 96 ALA C C 13 184.07 . . 1 . . . . 75 Ala C . 17404 1 566 . 1 1 96 96 ALA CA C 13 54.68 . . 1 . . . . 75 Ala CA . 17404 1 567 . 1 1 96 96 ALA CB C 13 17.94 . . 1 . . . . 75 Ala CB . 17404 1 568 . 1 1 96 96 ALA N N 15 118.43 . . 1 . . . . 75 Ala N . 17404 1 569 . 1 1 97 97 ALA H H 1 7.51 . . 1 . . . . 76 Ala H . 17404 1 570 . 1 1 97 97 ALA HA H 1 4.26 . . 1 . . . . 76 Ala HA . 17404 1 571 . 1 1 97 97 ALA HB1 H 1 1.90 . . 1 . . . . 76 Ala HB1 . 17404 1 572 . 1 1 97 97 ALA HB2 H 1 1.90 . . 1 . . . . 76 Ala HB2 . 17404 1 573 . 1 1 97 97 ALA HB3 H 1 1.90 . . 1 . . . . 76 Ala HB3 . 17404 1 574 . 1 1 97 97 ALA C C 13 184.53 . . 1 . . . . 76 Ala C . 17404 1 575 . 1 1 97 97 ALA CA C 13 55.18 . . 1 . . . . 76 Ala CA . 17404 1 576 . 1 1 97 97 ALA CB C 13 18.10 . . 1 . . . . 76 Ala CB . 17404 1 577 . 1 1 97 97 ALA N N 15 119.93 . . 1 . . . . 76 Ala N . 17404 1 578 . 1 1 98 98 MET H H 1 7.82 . . 1 . . . . 77 Met H . 17404 1 579 . 1 1 98 98 MET HA H 1 3.78 . . 1 . . . . 77 Met HA . 17404 1 580 . 1 1 98 98 MET HB2 H 1 1.85 . . 2 . . . . 77 Met HB2 . 17404 1 581 . 1 1 98 98 MET HB3 H 1 2.56 . . 2 . . . . 77 Met HB3 . 17404 1 582 . 1 1 98 98 MET C C 13 181.40 . . 1 . . . . 77 Met C . 17404 1 583 . 1 1 98 98 MET CA C 13 59.35 . . 1 . . . . 77 Met CA . 17404 1 584 . 1 1 98 98 MET CB C 13 32.80 . . 1 . . . . 77 Met CB . 17404 1 585 . 1 1 98 98 MET N N 15 117.31 . . 1 . . . . 77 Met N . 17404 1 586 . 1 1 99 99 ALA H H 1 8.95 . . 1 . . . . 78 Ala H . 17404 1 587 . 1 1 99 99 ALA HA H 1 3.92 . . 1 . . . . 78 Ala HA . 17404 1 588 . 1 1 99 99 ALA HB1 H 1 1.31 . . 1 . . . . 78 Ala HB1 . 17404 1 589 . 1 1 99 99 ALA HB2 H 1 1.31 . . 1 . . . . 78 Ala HB2 . 17404 1 590 . 1 1 99 99 ALA HB3 H 1 1.31 . . 1 . . . . 78 Ala HB3 . 17404 1 591 . 1 1 99 99 ALA C C 13 184.15 . . 1 . . . . 78 Ala C . 17404 1 592 . 1 1 99 99 ALA CA C 13 55.44 . . 1 . . . . 78 Ala CA . 17404 1 593 . 1 1 99 99 ALA CB C 13 16.84 . . 1 . . . . 78 Ala CB . 17404 1 594 . 1 1 99 99 ALA N N 15 120.50 . . 1 . . . . 78 Ala N . 17404 1 595 . 1 1 100 100 SER H H 1 8.34 . . 1 . . . . 79 Ser H . 17404 1 596 . 1 1 100 100 SER HA H 1 4.24 . . 1 . . . . 79 Ser HA . 17404 1 597 . 1 1 100 100 SER HB2 H 1 3.95 . . 2 . . . . 79 Ser HB2 . 17404 1 598 . 1 1 100 100 SER HB3 H 1 3.95 . . 2 . . . . 79 Ser HB3 . 17404 1 599 . 1 1 100 100 SER C C 13 181.12 . . 1 . . . . 79 Ser C . 17404 1 600 . 1 1 100 100 SER CA C 13 60.76 . . 1 . . . . 79 Ser CA . 17404 1 601 . 1 1 100 100 SER CB C 13 62.50 . . 1 . . . . 79 Ser CB . 17404 1 602 . 1 1 100 100 SER N N 15 110.76 . . 1 . . . . 79 Ser N . 17404 1 603 . 1 1 101 101 PHE H H 1 7.55 . . 1 . . . . 80 Phe H . 17404 1 604 . 1 1 101 101 PHE HA H 1 3.95 . . 1 . . . . 80 Phe HA . 17404 1 605 . 1 1 101 101 PHE HB2 H 1 2.62 . . 2 . . . . 80 Phe HB2 . 17404 1 606 . 1 1 101 101 PHE HB3 H 1 2.62 . . 2 . . . . 80 Phe HB3 . 17404 1 607 . 1 1 101 101 PHE C C 13 180.92 . . 1 . . . . 80 Phe C . 17404 1 608 . 1 1 101 101 PHE CA C 13 61.71 . . 1 . . . . 80 Phe CA . 17404 1 609 . 1 1 101 101 PHE CB C 13 39.98 . . 1 . . . . 80 Phe CB . 17404 1 610 . 1 1 101 101 PHE N N 15 122.42 . . 1 . . . . 80 Phe N . 17404 1 611 . 1 1 102 102 PHE H H 1 7.63 . . 1 . . . . 81 Phe H . 17404 1 612 . 1 1 102 102 PHE HA H 1 4.43 . . 1 . . . . 81 Phe HA . 17404 1 613 . 1 1 102 102 PHE HB2 H 1 2.50 . . 2 . . . . 81 Phe HB2 . 17404 1 614 . 1 1 102 102 PHE HB3 H 1 3.39 . . 2 . . . . 81 Phe HB3 . 17404 1 615 . 1 1 102 102 PHE C C 13 177.73 . . 1 . . . . 81 Phe C . 17404 1 616 . 1 1 102 102 PHE CA C 13 58.51 . . 1 . . . . 81 Phe CA . 17404 1 617 . 1 1 102 102 PHE CB C 13 39.17 . . 1 . . . . 81 Phe CB . 17404 1 618 . 1 1 102 102 PHE N N 15 112.16 . . 1 . . . . 81 Phe N . 17404 1 619 . 1 1 103 103 ARG H H 1 7.55 . . 1 . . . . 82 Arg H . 17404 1 620 . 1 1 103 103 ARG HA H 1 3.86 . . 1 . . . . 82 Arg HA . 17404 1 621 . 1 1 103 103 ARG HB2 H 1 1.76 . . 2 . . . . 82 Arg HB2 . 17404 1 622 . 1 1 103 103 ARG HB3 H 1 2.04 . . 2 . . . . 82 Arg HB3 . 17404 1 623 . 1 1 103 103 ARG C C 13 178.53 . . 1 . . . . 82 Arg C . 17404 1 624 . 1 1 103 103 ARG CA C 13 56.85 . . 1 . . . . 82 Arg CA . 17404 1 625 . 1 1 103 103 ARG CB C 13 25.76 . . 1 . . . . 82 Arg CB . 17404 1 626 . 1 1 103 103 ARG N N 15 118.90 . . 1 . . . . 82 Arg N . 17404 1 627 . 1 1 104 104 ILE H H 1 8.66 . . 1 . . . . 83 Ile H . 17404 1 628 . 1 1 104 104 ILE HA H 1 3.89 . . 1 . . . . 83 Ile HA . 17404 1 629 . 1 1 104 104 ILE HB H 1 1.42 . . 1 . . . . 83 Ile HB . 17404 1 630 . 1 1 104 104 ILE C C 13 179.18 . . 1 . . . . 83 Ile C . 17404 1 631 . 1 1 104 104 ILE CA C 13 60.93 . . 1 . . . . 83 Ile CA . 17404 1 632 . 1 1 104 104 ILE CB C 13 40.63 . . 1 . . . . 83 Ile CB . 17404 1 633 . 1 1 104 104 ILE N N 15 121.69 . . 1 . . . . 83 Ile N . 17404 1 634 . 1 1 105 105 ASN H H 1 9.03 . . 1 . . . . 84 Asn H . 17404 1 635 . 1 1 105 105 ASN HA H 1 4.92 . . 1 . . . . 84 Asn HA . 17404 1 636 . 1 1 105 105 ASN HB2 H 1 2.55 . . 2 . . . . 84 Asn HB2 . 17404 1 637 . 1 1 105 105 ASN HB3 H 1 2.80 . . 2 . . . . 84 Asn HB3 . 17404 1 638 . 1 1 105 105 ASN CA C 13 51.68 . . 1 . . . . 84 Asn CA . 17404 1 639 . 1 1 105 105 ASN CB C 13 38.24 . . 1 . . . . 84 Asn CB . 17404 1 640 . 1 1 105 105 ASN N N 15 126.65 . . 1 . . . . 84 Asn N . 17404 1 641 . 1 1 106 106 PRO HA H 1 4.00 . . 1 . . . . 85 Pro HA . 17404 1 642 . 1 1 106 106 PRO HB2 H 1 2.00 . . 2 . . . . 85 Pro HB2 . 17404 1 643 . 1 1 106 106 PRO HB3 H 1 2.00 . . 2 . . . . 85 Pro HB3 . 17404 1 644 . 1 1 106 106 PRO C C 13 179.50 . . 1 . . . . 85 Pro C . 17404 1 645 . 1 1 106 106 PRO CA C 13 66.54 . . 1 . . . . 85 Pro CA . 17404 1 646 . 1 1 106 106 PRO CB C 13 31.00 . . 1 . . . . 85 Pro CB . 17404 1 647 . 1 1 107 107 ASP H H 1 7.98 . . 1 . . . . 86 Asp H . 17404 1 648 . 1 1 107 107 ASP HA H 1 4.47 . . 1 . . . . 86 Asp HA . 17404 1 649 . 1 1 107 107 ASP HB2 H 1 2.55 . . 2 . . . . 86 Asp HB2 . 17404 1 650 . 1 1 107 107 ASP HB3 H 1 2.55 . . 2 . . . . 86 Asp HB3 . 17404 1 651 . 1 1 107 107 ASP C C 13 179.77 . . 1 . . . . 86 Asp C . 17404 1 652 . 1 1 107 107 ASP CA C 13 54.80 . . 1 . . . . 86 Asp CA . 17404 1 653 . 1 1 107 107 ASP CB C 13 38.36 . . 1 . . . . 86 Asp CB . 17404 1 654 . 1 1 107 107 ASP N N 15 109.99 . . 1 . . . . 86 Asp N . 17404 1 655 . 1 1 108 108 GLU H H 1 8.08 . . 1 . . . . 87 Glu H . 17404 1 656 . 1 1 108 108 GLU HA H 1 4.60 . . 1 . . . . 87 Glu HA . 17404 1 657 . 1 1 108 108 GLU HB2 H 1 2.55 . . 2 . . . . 87 Glu HB2 . 17404 1 658 . 1 1 108 108 GLU HB3 H 1 2.55 . . 2 . . . . 87 Glu HB3 . 17404 1 659 . 1 1 108 108 GLU C C 13 179.05 . . 1 . . . . 87 Glu C . 17404 1 660 . 1 1 108 108 GLU CA C 13 54.64 . . 1 . . . . 87 Glu CA . 17404 1 661 . 1 1 108 108 GLU CB C 13 30.60 . . 1 . . . . 87 Glu CB . 17404 1 662 . 1 1 108 108 GLU N N 15 116.63 . . 1 . . . . 87 Glu N . 17404 1 663 . 1 1 109 109 ILE H H 1 7.98 . . 1 . . . . 88 Ile H . 17404 1 664 . 1 1 109 109 ILE HA H 1 4.83 . . 1 . . . . 88 Ile HA . 17404 1 665 . 1 1 109 109 ILE HB H 1 2.07 . . 1 . . . . 88 Ile HB . 17404 1 666 . 1 1 109 109 ILE C C 13 177.15 . . 1 . . . . 88 Ile C . 17404 1 667 . 1 1 109 109 ILE CA C 13 60.47 . . 1 . . . . 88 Ile CA . 17404 1 668 . 1 1 109 109 ILE CB C 13 39.75 . . 1 . . . . 88 Ile CB . 17404 1 669 . 1 1 109 109 ILE N N 15 122.45 . . 1 . . . . 88 Ile N . 17404 1 670 . 1 1 110 110 LEU H H 1 8.87 . . 1 . . . . 89 Leu H . 17404 1 671 . 1 1 110 110 LEU HA H 1 5.10 . . 1 . . . . 89 Leu HA . 17404 1 672 . 1 1 110 110 LEU HB2 H 1 1.87 . . 2 . . . . 89 Leu HB2 . 17404 1 673 . 1 1 110 110 LEU HB3 H 1 1.87 . . 2 . . . . 89 Leu HB3 . 17404 1 674 . 1 1 110 110 LEU C C 13 177.92 . . 1 . . . . 89 Leu C . 17404 1 675 . 1 1 110 110 LEU CA C 13 52.77 . . 1 . . . . 89 Leu CA . 17404 1 676 . 1 1 110 110 LEU CB C 13 45.68 . . 1 . . . . 89 Leu CB . 17404 1 677 . 1 1 110 110 LEU N N 15 127.60 . . 1 . . . . 89 Leu N . 17404 1 678 . 1 1 111 111 VAL H H 1 9.53 . . 1 . . . . 90 Val H . 17404 1 679 . 1 1 111 111 VAL HA H 1 4.68 . . 1 . . . . 90 Val HA . 17404 1 680 . 1 1 111 111 VAL HB H 1 2.22 . . 1 . . . . 90 Val HB . 17404 1 681 . 1 1 111 111 VAL C C 13 178.25 . . 1 . . . . 90 Val C . 17404 1 682 . 1 1 111 111 VAL CA C 13 60.73 . . 1 . . . . 90 Val CA . 17404 1 683 . 1 1 111 111 VAL CB C 13 33.06 . . 1 . . . . 90 Val CB . 17404 1 684 . 1 1 111 111 VAL N N 15 127.32 . . 1 . . . . 90 Val N . 17404 1 685 . 1 1 112 112 ALA H H 1 10.04 . . 1 . . . . 91 Ala H . 17404 1 686 . 1 1 112 112 ALA HA H 1 5.45 . . 1 . . . . 91 Ala HA . 17404 1 687 . 1 1 112 112 ALA HB1 H 1 1.35 . . 1 . . . . 91 Ala HB1 . 17404 1 688 . 1 1 112 112 ALA HB2 H 1 1.35 . . 1 . . . . 91 Ala HB2 . 17404 1 689 . 1 1 112 112 ALA HB3 H 1 1.35 . . 1 . . . . 91 Ala HB3 . 17404 1 690 . 1 1 112 112 ALA C C 13 179.58 . . 1 . . . . 91 Ala C . 17404 1 691 . 1 1 112 112 ALA CA C 13 49.90 . . 1 . . . . 91 Ala CA . 17404 1 692 . 1 1 112 112 ALA CB C 13 21.42 . . 1 . . . . 91 Ala CB . 17404 1 693 . 1 1 112 112 ALA N N 15 132.66 . . 1 . . . . 91 Ala N . 17404 1 694 . 1 1 113 113 HIS H H 1 8.77 . . 1 . . . . 92 His H . 17404 1 695 . 1 1 113 113 HIS HA H 1 5.29 . . 1 . . . . 92 His HA . 17404 1 696 . 1 1 113 113 HIS HB2 H 1 2.62 . . 2 . . . . 92 His HB2 . 17404 1 697 . 1 1 113 113 HIS HB3 H 1 2.62 . . 2 . . . . 92 His HB3 . 17404 1 698 . 1 1 113 113 HIS C C 13 175.31 . . 1 . . . . 92 His C . 17404 1 699 . 1 1 113 113 HIS CA C 13 53.31 . . 1 . . . . 92 His CA . 17404 1 700 . 1 1 113 113 HIS CB C 13 32.38 . . 1 . . . . 92 His CB . 17404 1 701 . 1 1 113 113 HIS N N 15 118.43 . . 1 . . . . 92 His N . 17404 1 702 . 1 1 114 114 ASP H H 1 10.35 . . 1 . . . . 93 Asp H . 17404 1 703 . 1 1 114 114 ASP HA H 1 4.34 . . 1 . . . . 93 Asp HA . 17404 1 704 . 1 1 114 114 ASP HB2 H 1 2.32 . . 2 . . . . 93 Asp HB2 . 17404 1 705 . 1 1 114 114 ASP HB3 H 1 2.82 . . 2 . . . . 93 Asp HB3 . 17404 1 706 . 1 1 114 114 ASP C C 13 181.17 . . 1 . . . . 93 Asp C . 17404 1 707 . 1 1 114 114 ASP CA C 13 53.37 . . 1 . . . . 93 Asp CA . 17404 1 708 . 1 1 114 114 ASP CB C 13 39.76 . . 1 . . . . 93 Asp CB . 17404 1 709 . 1 1 114 114 ASP N N 15 116.65 . . 1 . . . . 93 Asp N . 17404 1 710 . 1 1 115 115 GLU H H 1 8.86 . . 1 . . . . 94 Glu H . 17404 1 711 . 1 1 115 115 GLU HA H 1 5.07 . . 1 . . . . 94 Glu HA . 17404 1 712 . 1 1 115 115 GLU C C 13 178.69 . . 1 . . . . 94 Glu C . 17404 1 713 . 1 1 115 115 GLU CA C 13 53.57 . . 1 . . . . 94 Glu CA . 17404 1 714 . 1 1 115 115 GLU CB C 13 32.70 . . 1 . . . . 94 Glu CB . 17404 1 715 . 1 1 115 115 GLU N N 15 126.59 . . 1 . . . . 94 Glu N . 17404 1 716 . 1 1 116 116 LEU H H 1 8.53 . . 1 . . . . 95 Leu H . 17404 1 717 . 1 1 116 116 LEU HA H 1 4.73 . . 1 . . . . 95 Leu HA . 17404 1 718 . 1 1 116 116 LEU HB2 H 1 1.47 . . 2 . . . . 95 Leu HB2 . 17404 1 719 . 1 1 116 116 LEU HB3 H 1 1.71 . . 2 . . . . 95 Leu HB3 . 17404 1 720 . 1 1 116 116 LEU C C 13 182.52 . . 1 . . . . 95 Leu C . 17404 1 721 . 1 1 116 116 LEU CA C 13 56.39 . . 1 . . . . 95 Leu CA . 17404 1 722 . 1 1 116 116 LEU CB C 13 43.95 . . 1 . . . . 95 Leu CB . 17404 1 723 . 1 1 116 116 LEU N N 15 131.87 . . 1 . . . . 95 Leu N . 17404 1 724 . 1 1 117 117 ASP H H 1 9.20 . . 1 . . . . 96 Asp H . 17404 1 725 . 1 1 117 117 ASP HA H 1 4.52 . . 1 . . . . 96 Asp HA . 17404 1 726 . 1 1 117 117 ASP HB2 H 1 2.39 . . 2 . . . . 96 Asp HB2 . 17404 1 727 . 1 1 117 117 ASP HB3 H 1 2.59 . . 2 . . . . 96 Asp HB3 . 17404 1 728 . 1 1 117 117 ASP C C 13 178.98 . . 1 . . . . 96 Asp C . 17404 1 729 . 1 1 117 117 ASP CA C 13 54.39 . . 1 . . . . 96 Asp CA . 17404 1 730 . 1 1 117 117 ASP CB C 13 40.43 . . 1 . . . . 96 Asp CB . 17404 1 731 . 1 1 117 117 ASP N N 15 115.41 . . 1 . . . . 96 Asp N . 17404 1 732 . 1 1 118 118 LEU H H 1 7.28 . . 1 . . . . 97 Leu H . 17404 1 733 . 1 1 118 118 LEU HA H 1 4.77 . . 1 . . . . 97 Leu HA . 17404 1 734 . 1 1 118 118 LEU CA C 13 50.82 . . 1 . . . . 97 Leu CA . 17404 1 735 . 1 1 118 118 LEU CB C 13 44.62 . . 1 . . . . 97 Leu CB . 17404 1 736 . 1 1 118 118 LEU N N 15 119.54 . . 1 . . . . 97 Leu N . 17404 1 737 . 1 1 120 120 PRO C C 13 181.59 . . 1 . . . . 99 Pro C . 17404 1 738 . 1 1 120 120 PRO CA C 13 62.63 . . 1 . . . . 99 Pro CA . 17404 1 739 . 1 1 120 120 PRO CB C 13 31.21 . . 1 . . . . 99 Pro CB . 17404 1 740 . 1 1 121 121 GLY H H 1 9.63 . . 1 . . . . 100 Gly H . 17404 1 741 . 1 1 121 121 GLY HA2 H 1 3.70 . . 2 . . . . 100 Gly HA2 . 17404 1 742 . 1 1 121 121 GLY HA3 H 1 4.40 . . 2 . . . . 100 Gly HA3 . 17404 1 743 . 1 1 121 121 GLY C C 13 176.26 . . 1 . . . . 100 Gly C . 17404 1 744 . 1 1 121 121 GLY CA C 13 45.63 . . 1 . . . . 100 Gly CA . 17404 1 745 . 1 1 121 121 GLY N N 15 113.31 . . 1 . . . . 100 Gly N . 17404 1 746 . 1 1 122 122 VAL H H 1 7.53 . . 1 . . . . 101 Val H . 17404 1 747 . 1 1 122 122 VAL HA H 1 4.66 . . 1 . . . . 101 Val HA . 17404 1 748 . 1 1 122 122 VAL HB H 1 2.06 . . 1 . . . . 101 Val HB . 17404 1 749 . 1 1 122 122 VAL C C 13 178.75 . . 1 . . . . 101 Val C . 17404 1 750 . 1 1 122 122 VAL CA C 13 59.92 . . 1 . . . . 101 Val CA . 17404 1 751 . 1 1 122 122 VAL CB C 13 34.66 . . 1 . . . . 101 Val CB . 17404 1 752 . 1 1 122 122 VAL N N 15 117.27 . . 1 . . . . 101 Val N . 17404 1 753 . 1 1 123 123 ALA H H 1 9.17 . . 1 . . . . 102 Ala H . 17404 1 754 . 1 1 123 123 ALA HA H 1 5.20 . . 1 . . . . 102 Ala HA . 17404 1 755 . 1 1 123 123 ALA HB1 H 1 0.98 . . 1 . . . . 102 Ala HB1 . 17404 1 756 . 1 1 123 123 ALA HB2 H 1 0.98 . . 1 . . . . 102 Ala HB2 . 17404 1 757 . 1 1 123 123 ALA HB3 H 1 0.98 . . 1 . . . . 102 Ala HB3 . 17404 1 758 . 1 1 123 123 ALA C C 13 181.67 . . 1 . . . . 102 Ala C . 17404 1 759 . 1 1 123 123 ALA CA C 13 50.90 . . 1 . . . . 102 Ala CA . 17404 1 760 . 1 1 123 123 ALA CB C 13 21.79 . . 1 . . . . 102 Ala CB . 17404 1 761 . 1 1 123 123 ALA N N 15 128.79 . . 1 . . . . 102 Ala N . 17404 1 762 . 1 1 124 124 LYS H H 1 7.94 . . 1 . . . . 103 Lys H . 17404 1 763 . 1 1 124 124 LYS HA H 1 4.70 . . 1 . . . . 103 Lys HA . 17404 1 764 . 1 1 124 124 LYS C C 13 178.80 . . 1 . . . . 103 Lys C . 17404 1 765 . 1 1 124 124 LYS CA C 13 54.22 . . 1 . . . . 103 Lys CA . 17404 1 766 . 1 1 124 124 LYS CB C 13 39.12 . . 1 . . . . 103 Lys CB . 17404 1 767 . 1 1 124 124 LYS N N 15 114.07 . . 1 . . . . 103 Lys N . 17404 1 768 . 1 1 125 125 PHE H H 1 8.31 . . 1 . . . . 104 Phe H . 17404 1 769 . 1 1 125 125 PHE HA H 1 5.85 . . 1 . . . . 104 Phe HA . 17404 1 770 . 1 1 125 125 PHE HB2 H 1 3.16 . . 2 . . . . 104 Phe HB2 . 17404 1 771 . 1 1 125 125 PHE HB3 H 1 2.72 . . 2 . . . . 104 Phe HB3 . 17404 1 772 . 1 1 125 125 PHE C C 13 182.29 . . 1 . . . . 104 Phe C . 17404 1 773 . 1 1 125 125 PHE CA C 13 56.10 . . 1 . . . . 104 Phe CA . 17404 1 774 . 1 1 125 125 PHE CB C 13 41.00 . . 1 . . . . 104 Phe CB . 17404 1 775 . 1 1 125 125 PHE N N 15 122.45 . . 1 . . . . 104 Phe N . 17404 1 776 . 1 1 126 126 LYS H H 1 9.12 . . 1 . . . . 105 Lys H . 17404 1 777 . 1 1 126 126 LYS HA H 1 4.43 . . 1 . . . . 105 Lys HA . 17404 1 778 . 1 1 126 126 LYS HB2 H 1 1.80 . . 2 . . . . 105 Lys HB2 . 17404 1 779 . 1 1 126 126 LYS HB3 H 1 1.80 . . 2 . . . . 105 Lys HB3 . 17404 1 780 . 1 1 126 126 LYS C C 13 176.98 . . 1 . . . . 105 Lys C . 17404 1 781 . 1 1 126 126 LYS CA C 13 56.01 . . 1 . . . . 105 Lys CA . 17404 1 782 . 1 1 126 126 LYS CB C 13 37.88 . . 1 . . . . 105 Lys CB . 17404 1 783 . 1 1 126 126 LYS N N 15 123.41 . . 1 . . . . 105 Lys N . 17404 1 784 . 1 1 127 127 LEU H H 1 8.54 . . 1 . . . . 106 Leu H . 17404 1 785 . 1 1 127 127 LEU HA H 1 4.48 . . 1 . . . . 106 Leu HA . 17404 1 786 . 1 1 127 127 LEU HB2 H 1 1.55 . . 2 . . . . 106 Leu HB2 . 17404 1 787 . 1 1 127 127 LEU HB3 H 1 1.55 . . 2 . . . . 106 Leu HB3 . 17404 1 788 . 1 1 127 127 LEU C C 13 180.28 . . 1 . . . . 106 Leu C . 17404 1 789 . 1 1 127 127 LEU CA C 13 53.72 . . 1 . . . . 106 Leu CA . 17404 1 790 . 1 1 127 127 LEU CB C 13 41.41 . . 1 . . . . 106 Leu CB . 17404 1 791 . 1 1 127 127 LEU N N 15 128.26 . . 1 . . . . 106 Leu N . 17404 1 792 . 1 1 128 128 GLY H H 1 7.29 . . 1 . . . . 107 Gly H . 17404 1 793 . 1 1 128 128 GLY HA2 H 1 3.76 . . 2 . . . . 107 Gly HA2 . 17404 1 794 . 1 1 128 128 GLY HA3 H 1 3.92 . . 2 . . . . 107 Gly HA3 . 17404 1 795 . 1 1 128 128 GLY C C 13 175.34 . . 1 . . . . 107 Gly C . 17404 1 796 . 1 1 128 128 GLY CA C 13 44.03 . . 1 . . . . 107 Gly CA . 17404 1 797 . 1 1 128 128 GLY N N 15 113.35 . . 1 . . . . 107 Gly N . 17404 1 798 . 1 1 129 129 GLY H H 1 7.68 . . 1 . . . . 108 Gly H . 17404 1 799 . 1 1 129 129 GLY HA2 H 1 3.50 . . 2 . . . . 108 Gly HA2 . 17404 1 800 . 1 1 129 129 GLY HA3 H 1 4.10 . . 2 . . . . 108 Gly HA3 . 17404 1 801 . 1 1 129 129 GLY C C 13 179.24 . . 1 . . . . 108 Gly C . 17404 1 802 . 1 1 129 129 GLY CA C 13 43.35 . . 1 . . . . 108 Gly CA . 17404 1 803 . 1 1 129 129 GLY N N 15 101.91 . . 1 . . . . 108 Gly N . 17404 1 804 . 1 1 130 130 GLY H H 1 7.93 . . 1 . . . . 109 Gly H . 17404 1 805 . 1 1 130 130 GLY HA2 H 1 3.60 . . 2 . . . . 109 Gly HA2 . 17404 1 806 . 1 1 130 130 GLY HA3 H 1 3.98 . . 2 . . . . 109 Gly HA3 . 17404 1 807 . 1 1 130 130 GLY C C 13 178.39 . . 1 . . . . 109 Gly C . 17404 1 808 . 1 1 130 130 GLY CA C 13 44.45 . . 1 . . . . 109 Gly CA . 17404 1 809 . 1 1 130 130 GLY N N 15 105.34 . . 1 . . . . 109 Gly N . 17404 1 810 . 1 1 131 131 HIS H H 1 7.43 . . 1 . . . . 110 His H . 17404 1 811 . 1 1 131 131 HIS HA H 1 4.49 . . 1 . . . . 110 His HA . 17404 1 812 . 1 1 131 131 HIS HB2 H 1 3.55 . . 2 . . . . 110 His HB2 . 17404 1 813 . 1 1 131 131 HIS HB3 H 1 3.55 . . 2 . . . . 110 His HB3 . 17404 1 814 . 1 1 131 131 HIS C C 13 181.60 . . 1 . . . . 110 His C . 17404 1 815 . 1 1 131 131 HIS CA C 13 54.82 . . 1 . . . . 110 His CA . 17404 1 816 . 1 1 131 131 HIS CB C 13 31.62 . . 1 . . . . 110 His CB . 17404 1 817 . 1 1 131 131 HIS N N 15 115.19 . . 1 . . . . 110 His N . 17404 1 818 . 1 1 132 132 GLY H H 1 8.38 . . 1 . . . . 111 Gly H . 17404 1 819 . 1 1 132 132 GLY HA2 H 1 3.73 . . 2 . . . . 111 Gly HA2 . 17404 1 820 . 1 1 132 132 GLY HA3 H 1 3.92 . . 2 . . . . 111 Gly HA3 . 17404 1 821 . 1 1 132 132 GLY CA C 13 46.76 . . 1 . . . . 111 Gly CA . 17404 1 822 . 1 1 132 132 GLY N N 15 112.16 . . 1 . . . . 111 Gly N . 17404 1 823 . 1 1 133 133 GLY H H 1 10.94 . . 1 . . . . 112 Gly H . 17404 1 824 . 1 1 133 133 GLY HA2 H 1 3.63 . . 2 . . . . 112 Gly HA2 . 17404 1 825 . 1 1 133 133 GLY HA3 H 1 4.20 . . 2 . . . . 112 Gly HA3 . 17404 1 826 . 1 1 133 133 GLY C C 13 181.20 . . 1 . . . . 112 Gly C . 17404 1 827 . 1 1 133 133 GLY CA C 13 44.43 . . 1 . . . . 112 Gly CA . 17404 1 828 . 1 1 133 133 GLY N N 15 112.68 . . 1 . . . . 112 Gly N . 17404 1 829 . 1 1 134 134 HIS H H 1 8.14 . . 1 . . . . 113 His H . 17404 1 830 . 1 1 134 134 HIS HA H 1 4.26 . . 1 . . . . 113 His HA . 17404 1 831 . 1 1 134 134 HIS HB2 H 1 3.04 . . 2 . . . . 113 His HB2 . 17404 1 832 . 1 1 134 134 HIS HB3 H 1 3.04 . . 2 . . . . 113 His HB3 . 17404 1 833 . 1 1 134 134 HIS C C 13 180.99 . . 1 . . . . 113 His C . 17404 1 834 . 1 1 134 134 HIS CA C 13 57.57 . . 1 . . . . 113 His CA . 17404 1 835 . 1 1 134 134 HIS CB C 13 31.84 . . 1 . . . . 113 His CB . 17404 1 836 . 1 1 134 134 HIS N N 15 124.50 . . 1 . . . . 113 His N . 17404 1 837 . 1 1 135 135 ASN H H 1 8.99 . . 1 . . . . 114 Asn H . 17404 1 838 . 1 1 135 135 ASN HA H 1 4.23 . . 1 . . . . 114 Asn HA . 17404 1 839 . 1 1 135 135 ASN HB2 H 1 2.55 . . 2 . . . . 114 Asn HB2 . 17404 1 840 . 1 1 135 135 ASN HB3 H 1 2.55 . . 2 . . . . 114 Asn HB3 . 17404 1 841 . 1 1 135 135 ASN C C 13 180.62 . . 1 . . . . 114 Asn C . 17404 1 842 . 1 1 135 135 ASN CA C 13 55.80 . . 1 . . . . 114 Asn CA . 17404 1 843 . 1 1 135 135 ASN CB C 13 38.10 . . 1 . . . . 114 Asn CB . 17404 1 844 . 1 1 135 135 ASN N N 15 126.70 . . 1 . . . . 114 Asn N . 17404 1 845 . 1 1 136 136 GLY H H 1 9.36 . . 1 . . . . 115 Gly H . 17404 1 846 . 1 1 136 136 GLY HA2 H 1 3.73 . . 2 . . . . 115 Gly HA2 . 17404 1 847 . 1 1 136 136 GLY HA3 H 1 4.33 . . 2 . . . . 115 Gly HA3 . 17404 1 848 . 1 1 136 136 GLY C C 13 179.06 . . 1 . . . . 115 Gly C . 17404 1 849 . 1 1 136 136 GLY CA C 13 47.04 . . 1 . . . . 115 Gly CA . 17404 1 850 . 1 1 136 136 GLY N N 15 113.20 . . 1 . . . . 115 Gly N . 17404 1 851 . 1 1 137 137 LEU H H 1 8.55 . . 1 . . . . 116 Leu H . 17404 1 852 . 1 1 137 137 LEU HA H 1 3.87 . . 1 . . . . 116 Leu HA . 17404 1 853 . 1 1 137 137 LEU HB2 H 1 2.20 . . 2 . . . . 116 Leu HB2 . 17404 1 854 . 1 1 137 137 LEU HB3 H 1 2.20 . . 2 . . . . 116 Leu HB3 . 17404 1 855 . 1 1 137 137 LEU C C 13 182.87 . . 1 . . . . 116 Leu C . 17404 1 856 . 1 1 137 137 LEU CA C 13 58.01 . . 1 . . . . 116 Leu CA . 17404 1 857 . 1 1 137 137 LEU CB C 13 42.12 . . 1 . . . . 116 Leu CB . 17404 1 858 . 1 1 137 137 LEU N N 15 122.38 . . 1 . . . . 116 Leu N . 17404 1 859 . 1 1 138 138 LYS H H 1 8.43 . . 1 . . . . 117 Lys H . 17404 1 860 . 1 1 138 138 LYS HA H 1 3.59 . . 1 . . . . 117 Lys HA . 17404 1 861 . 1 1 138 138 LYS HB2 H 1 1.23 . . 2 . . . . 117 Lys HB2 . 17404 1 862 . 1 1 138 138 LYS HB3 H 1 1.61 . . 2 . . . . 117 Lys HB3 . 17404 1 863 . 1 1 138 138 LYS C C 13 182.26 . . 1 . . . . 117 Lys C . 17404 1 864 . 1 1 138 138 LYS CA C 13 60.30 . . 1 . . . . 117 Lys CA . 17404 1 865 . 1 1 138 138 LYS CB C 13 32.88 . . 1 . . . . 117 Lys CB . 17404 1 866 . 1 1 138 138 LYS N N 15 117.14 . . 1 . . . . 117 Lys N . 17404 1 867 . 1 1 139 139 ASP H H 1 7.11 . . 1 . . . . 118 Asp H . 17404 1 868 . 1 1 139 139 ASP HA H 1 4.50 . . 1 . . . . 118 Asp HA . 17404 1 869 . 1 1 139 139 ASP HB2 H 1 2.78 . . 2 . . . . 118 Asp HB2 . 17404 1 870 . 1 1 139 139 ASP HB3 H 1 2.78 . . 2 . . . . 118 Asp HB3 . 17404 1 871 . 1 1 139 139 ASP C C 13 182.39 . . 1 . . . . 118 Asp C . 17404 1 872 . 1 1 139 139 ASP CA C 13 57.78 . . 1 . . . . 118 Asp CA . 17404 1 873 . 1 1 139 139 ASP CB C 13 43.03 . . 1 . . . . 118 Asp CB . 17404 1 874 . 1 1 139 139 ASP N N 15 117.93 . . 1 . . . . 118 Asp N . 17404 1 875 . 1 1 140 140 ILE H H 1 7.89 . . 1 . . . . 119 Ile H . 17404 1 876 . 1 1 140 140 ILE HA H 1 3.26 . . 1 . . . . 119 Ile HA . 17404 1 877 . 1 1 140 140 ILE HB H 1 1.57 . . 1 . . . . 119 Ile HB . 17404 1 878 . 1 1 140 140 ILE C C 13 180.18 . . 1 . . . . 119 Ile C . 17404 1 879 . 1 1 140 140 ILE CA C 13 66.45 . . 1 . . . . 119 Ile CA . 17404 1 880 . 1 1 140 140 ILE CB C 13 37.60 . . 1 . . . . 119 Ile CB . 17404 1 881 . 1 1 140 140 ILE N N 15 119.51 . . 1 . . . . 119 Ile N . 17404 1 882 . 1 1 141 141 ILE H H 1 8.29 . . 1 . . . . 120 Ile H . 17404 1 883 . 1 1 141 141 ILE HA H 1 3.57 . . 1 . . . . 120 Ile HA . 17404 1 884 . 1 1 141 141 ILE HB H 1 1.83 . . 1 . . . . 120 Ile HB . 17404 1 885 . 1 1 141 141 ILE C C 13 183.19 . . 1 . . . . 120 Ile C . 17404 1 886 . 1 1 141 141 ILE CA C 13 65.31 . . 1 . . . . 120 Ile CA . 17404 1 887 . 1 1 141 141 ILE CB C 13 38.65 . . 1 . . . . 120 Ile CB . 17404 1 888 . 1 1 141 141 ILE N N 15 117.09 . . 1 . . . . 120 Ile N . 17404 1 889 . 1 1 142 142 SER H H 1 7.40 . . 1 . . . . 121 Ser H . 17404 1 890 . 1 1 142 142 SER HA H 1 4.15 . . 1 . . . . 121 Ser HA . 17404 1 891 . 1 1 142 142 SER HB2 H 1 3.95 . . 2 . . . . 121 Ser HB2 . 17404 1 892 . 1 1 142 142 SER HB3 H 1 3.95 . . 2 . . . . 121 Ser HB3 . 17404 1 893 . 1 1 142 142 SER C C 13 182.77 . . 1 . . . . 121 Ser C . 17404 1 894 . 1 1 142 142 SER CA C 13 61.32 . . 1 . . . . 121 Ser CA . 17404 1 895 . 1 1 142 142 SER CB C 13 62.80 . . 1 . . . . 121 Ser CB . 17404 1 896 . 1 1 142 142 SER N N 15 110.60 . . 1 . . . . 121 Ser N . 17404 1 897 . 1 1 143 143 LYS H H 1 8.57 . . 1 . . . . 122 Lys H . 17404 1 898 . 1 1 143 143 LYS HA H 1 4.06 . . 1 . . . . 122 Lys HA . 17404 1 899 . 1 1 143 143 LYS HB2 H 1 1.53 . . 2 . . . . 122 Lys HB2 . 17404 1 900 . 1 1 143 143 LYS HB3 H 1 1.68 . . 2 . . . . 122 Lys HB3 . 17404 1 901 . 1 1 143 143 LYS C C 13 182.12 . . 1 . . . . 122 Lys C . 17404 1 902 . 1 1 143 143 LYS CA C 13 58.42 . . 1 . . . . 122 Lys CA . 17404 1 903 . 1 1 143 143 LYS CB C 13 31.38 . . 1 . . . . 122 Lys CB . 17404 1 904 . 1 1 143 143 LYS N N 15 120.28 . . 1 . . . . 122 Lys N . 17404 1 905 . 1 1 144 144 LEU H H 1 7.86 . . 1 . . . . 123 Leu H . 17404 1 906 . 1 1 144 144 LEU HA H 1 4.42 . . 1 . . . . 123 Leu HA . 17404 1 907 . 1 1 144 144 LEU HB2 H 1 2 . . 2 . . . . 123 Leu HB2 . 17404 1 908 . 1 1 144 144 LEU HB3 H 1 1.68 . . 2 . . . . 123 Leu HB3 . 17404 1 909 . 1 1 144 144 LEU C C 13 179.79 . . 1 . . . . 123 Leu C . 17404 1 910 . 1 1 144 144 LEU CA C 13 54.10 . . 1 . . . . 123 Leu CA . 17404 1 911 . 1 1 144 144 LEU CB C 13 40.28 . . 1 . . . . 123 Leu CB . 17404 1 912 . 1 1 144 144 LEU N N 15 119.38 . . 1 . . . . 123 Leu N . 17404 1 913 . 1 1 145 145 GLY H H 1 7.76 . . 1 . . . . 124 Gly H . 17404 1 914 . 1 1 145 145 GLY HA2 H 1 3.73 . . 2 . . . . 124 Gly HA2 . 17404 1 915 . 1 1 145 145 GLY HA3 H 1 3.95 . . 2 . . . . 124 Gly HA3 . 17404 1 916 . 1 1 145 145 GLY C C 13 178.86 . . 1 . . . . 124 Gly C . 17404 1 917 . 1 1 145 145 GLY CA C 13 46.16 . . 1 . . . . 124 Gly CA . 17404 1 918 . 1 1 145 145 GLY N N 15 107.58 . . 1 . . . . 124 Gly N . 17404 1 919 . 1 1 146 146 ASN H H 1 8.08 . . 1 . . . . 125 Asn H . 17404 1 920 . 1 1 146 146 ASN HA H 1 4.12 . . 1 . . . . 125 Asn HA . 17404 1 921 . 1 1 146 146 ASN HB2 H 1 2.78 . . 2 . . . . 125 Asn HB2 . 17404 1 922 . 1 1 146 146 ASN HB3 H 1 2.99 . . 2 . . . . 125 Asn HB3 . 17404 1 923 . 1 1 146 146 ASN C C 13 177.41 . . 1 . . . . 125 Asn C . 17404 1 924 . 1 1 146 146 ASN CA C 13 53.68 . . 1 . . . . 125 Asn CA . 17404 1 925 . 1 1 146 146 ASN CB C 13 36.24 . . 1 . . . . 125 Asn CB . 17404 1 926 . 1 1 146 146 ASN N N 15 117.58 . . 1 . . . . 125 Asn N . 17404 1 927 . 1 1 147 147 ASN H H 1 7.20 . . 1 . . . . 126 Asn H . 17404 1 928 . 1 1 147 147 ASN HA H 1 5.13 . . 1 . . . . 126 Asn HA . 17404 1 929 . 1 1 147 147 ASN HB2 H 1 2.35 . . 2 . . . . 126 Asn HB2 . 17404 1 930 . 1 1 147 147 ASN HB3 H 1 3.05 . . 2 . . . . 126 Asn HB3 . 17404 1 931 . 1 1 147 147 ASN CA C 13 48.76 . . 1 . . . . 126 Asn CA . 17404 1 932 . 1 1 147 147 ASN CB C 13 40.72 . . 1 . . . . 126 Asn CB . 17404 1 933 . 1 1 147 147 ASN N N 15 116.05 . . 1 . . . . 126 Asn N . 17404 1 934 . 1 1 148 148 PRO C C 13 181.97 . . 1 . . . . 127 Pro C . 17404 1 935 . 1 1 148 148 PRO CA C 13 61.59 . . 1 . . . . 127 Pro CA . 17404 1 936 . 1 1 148 148 PRO CB C 13 32.04 . . 1 . . . . 127 Pro CB . 17404 1 937 . 1 1 149 149 ASN H H 1 8.44 . . 1 . . . . 128 Asn H . 17404 1 938 . 1 1 149 149 ASN HA H 1 4.23 . . 1 . . . . 128 Asn HA . 17404 1 939 . 1 1 149 149 ASN HB2 H 1 2.56 . . 2 . . . . 128 Asn HB2 . 17404 1 940 . 1 1 149 149 ASN HB3 H 1 2.83 . . 2 . . . . 128 Asn HB3 . 17404 1 941 . 1 1 149 149 ASN C C 13 175.95 . . 1 . . . . 128 Asn C . 17404 1 942 . 1 1 149 149 ASN CA C 13 54.29 . . 1 . . . . 128 Asn CA . 17404 1 943 . 1 1 149 149 ASN CB C 13 36.85 . . 1 . . . . 128 Asn CB . 17404 1 944 . 1 1 149 149 ASN N N 15 124.17 . . 1 . . . . 128 Asn N . 17404 1 945 . 1 1 150 150 PHE H H 1 7.36 . . 1 . . . . 129 Phe H . 17404 1 946 . 1 1 150 150 PHE HA H 1 5.09 . . 1 . . . . 129 Phe HA . 17404 1 947 . 1 1 150 150 PHE HB2 H 1 2.80 . . 2 . . . . 129 Phe HB2 . 17404 1 948 . 1 1 150 150 PHE HB3 H 1 3.23 . . 2 . . . . 129 Phe HB3 . 17404 1 949 . 1 1 150 150 PHE C C 13 180.94 . . 1 . . . . 129 Phe C . 17404 1 950 . 1 1 150 150 PHE CA C 13 53.83 . . 1 . . . . 129 Phe CA . 17404 1 951 . 1 1 150 150 PHE CB C 13 42.15 . . 1 . . . . 129 Phe CB . 17404 1 952 . 1 1 150 150 PHE N N 15 114.46 . . 1 . . . . 129 Phe N . 17404 1 953 . 1 1 151 151 HIS H H 1 8.80 . . 1 . . . . 130 His H . 17404 1 954 . 1 1 151 151 HIS HA H 1 4.99 . . 1 . . . . 130 His HA . 17404 1 955 . 1 1 151 151 HIS HB2 H 1 3.16 . . 2 . . . . 130 His HB2 . 17404 1 956 . 1 1 151 151 HIS HB3 H 1 3.16 . . 2 . . . . 130 His HB3 . 17404 1 957 . 1 1 151 151 HIS C C 13 179.42 . . 1 . . . . 130 His C . 17404 1 958 . 1 1 151 151 HIS CA C 13 56.75 . . 1 . . . . 130 His CA . 17404 1 959 . 1 1 151 151 HIS CB C 13 32.52 . . 1 . . . . 130 His CB . 17404 1 960 . 1 1 151 151 HIS N N 15 122.69 . . 1 . . . . 130 His N . 17404 1 961 . 1 1 152 152 ARG H H 1 10.02 . . 1 . . . . 131 Arg H . 17404 1 962 . 1 1 152 152 ARG HA H 1 5.92 . . 1 . . . . 131 Arg HA . 17404 1 963 . 1 1 152 152 ARG HB2 H 1 2.62 . . 2 . . . . 131 Arg HB2 . 17404 1 964 . 1 1 152 152 ARG HB3 H 1 2.62 . . 2 . . . . 131 Arg HB3 . 17404 1 965 . 1 1 152 152 ARG C C 13 178.66 . . 1 . . . . 131 Arg C . 17404 1 966 . 1 1 152 152 ARG CA C 13 54.83 . . 1 . . . . 131 Arg CA . 17404 1 967 . 1 1 152 152 ARG CB C 13 31.82 . . 1 . . . . 131 Arg CB . 17404 1 968 . 1 1 152 152 ARG N N 15 120.80 . . 1 . . . . 131 Arg N . 17404 1 969 . 1 1 153 153 LEU H H 1 8.71 . . 1 . . . . 132 Leu H . 17404 1 970 . 1 1 153 153 LEU HA H 1 4.84 . . 1 . . . . 132 Leu HA . 17404 1 971 . 1 1 153 153 LEU C C 13 176.68 . . 1 . . . . 132 Leu C . 17404 1 972 . 1 1 153 153 LEU CA C 13 53.33 . . 1 . . . . 132 Leu CA . 17404 1 973 . 1 1 153 153 LEU CB C 13 42.68 . . 1 . . . . 132 Leu CB . 17404 1 974 . 1 1 153 153 LEU N N 15 124.09 . . 1 . . . . 132 Leu N . 17404 1 975 . 1 1 154 154 ARG H H 1 9.21 . . 1 . . . . 133 Arg H . 17404 1 976 . 1 1 154 154 ARG HA H 1 3.27 . . 1 . . . . 133 Arg HA . 17404 1 977 . 1 1 154 154 ARG C C 13 178.40 . . 1 . . . . 133 Arg C . 17404 1 978 . 1 1 154 154 ARG CA C 13 53.45 . . 1 . . . . 133 Arg CA . 17404 1 979 . 1 1 154 154 ARG CB C 13 31.49 . . 1 . . . . 133 Arg CB . 17404 1 980 . 1 1 154 154 ARG N N 15 125.65 . . 1 . . . . 133 Arg N . 17404 1 981 . 1 1 155 155 ILE H H 1 8.49 . . 1 . . . . 134 Ile H . 17404 1 982 . 1 1 155 155 ILE HA H 1 3.80 . . 1 . . . . 134 Ile HA . 17404 1 983 . 1 1 155 155 ILE HB H 1 1.43 . . 1 . . . . 134 Ile HB . 17404 1 984 . 1 1 155 155 ILE C C 13 179.08 . . 1 . . . . 134 Ile C . 17404 1 985 . 1 1 155 155 ILE CA C 13 60.91 . . 1 . . . . 134 Ile CA . 17404 1 986 . 1 1 155 155 ILE CB C 13 37.62 . . 1 . . . . 134 Ile CB . 17404 1 987 . 1 1 155 155 ILE N N 15 124.16 . . 1 . . . . 134 Ile N . 17404 1 988 . 1 1 156 156 GLY H H 1 8.43 . . 1 . . . . 135 Gly H . 17404 1 989 . 1 1 156 156 GLY HA2 H 1 4.16 . . 2 . . . . 135 Gly HA2 . 17404 1 990 . 1 1 156 156 GLY HA3 H 1 3.47 . . 2 . . . . 135 Gly HA3 . 17404 1 991 . 1 1 156 156 GLY C C 13 178.41 . . 1 . . . . 135 Gly C . 17404 1 992 . 1 1 156 156 GLY CA C 13 48.52 . . 1 . . . . 135 Gly CA . 17404 1 993 . 1 1 156 156 GLY N N 15 115.73 . . 1 . . . . 135 Gly N . 17404 1 994 . 1 1 157 157 ILE H H 1 7.89 . . 1 . . . . 136 Ile H . 17404 1 995 . 1 1 157 157 ILE HA H 1 4.63 . . 1 . . . . 136 Ile HA . 17404 1 996 . 1 1 157 157 ILE HB H 1 0.00 . . 1 . . . . 136 Ile HB . 17404 1 997 . 1 1 157 157 ILE C C 13 181.40 . . 1 . . . . 136 Ile C . 17404 1 998 . 1 1 157 157 ILE CA C 13 60.32 . . 1 . . . . 136 Ile CA . 17404 1 999 . 1 1 157 157 ILE CB C 13 41.03 . . 1 . . . . 136 Ile CB . 17404 1 1000 . 1 1 157 157 ILE N N 15 113.60 . . 1 . . . . 136 Ile N . 17404 1 1001 . 1 1 158 158 GLY H H 1 8.97 . . 1 . . . . 137 Gly H . 17404 1 1002 . 1 1 158 158 GLY C C 13 172.40 . . 1 . . . . 137 Gly C . 17404 1 1003 . 1 1 158 158 GLY CA C 13 44.82 . . 1 . . . . 137 Gly CA . 17404 1 1004 . 1 1 158 158 GLY N N 15 111.61 . . 1 . . . . 137 Gly N . 17404 1 1005 . 1 1 159 159 HIS H H 1 7.35 . . 1 . . . . 138 His H . 17404 1 1006 . 1 1 159 159 HIS CA C 13 52.25 . . 1 . . . . 138 His CA . 17404 1 1007 . 1 1 159 159 HIS CB C 13 30.56 . . 1 . . . . 138 His CB . 17404 1 1008 . 1 1 159 159 HIS N N 15 107.69 . . 1 . . . . 138 His N . 17404 1 1009 . 1 1 160 160 PRO C C 13 181.50 . . 1 . . . . 139 Pro C . 17404 1 1010 . 1 1 161 161 GLY H H 1 8.05 . . 1 . . . . 140 Gly H . 17404 1 1011 . 1 1 161 161 GLY HA2 H 1 3.69 . . 2 . . . . 140 Gly HA2 . 17404 1 1012 . 1 1 161 161 GLY HA3 H 1 3.83 . . 2 . . . . 140 Gly HA3 . 17404 1 1013 . 1 1 161 161 GLY C C 13 177.37 . . 1 . . . . 140 Gly C . 17404 1 1014 . 1 1 161 161 GLY CA C 13 45.77 . . 1 . . . . 140 Gly CA . 17404 1 1015 . 1 1 161 161 GLY N N 15 104.70 . . 1 . . . . 140 Gly N . 17404 1 1016 . 1 1 162 162 ASP H H 1 7.24 . . 1 . . . . 141 Asp H . 17404 1 1017 . 1 1 162 162 ASP HA H 1 4.65 . . 1 . . . . 141 Asp HA . 17404 1 1018 . 1 1 162 162 ASP HB2 H 1 2.48 . . 2 . . . . 141 Asp HB2 . 17404 1 1019 . 1 1 162 162 ASP HB3 H 1 2.59 . . 2 . . . . 141 Asp HB3 . 17404 1 1020 . 1 1 162 162 ASP C C 13 180.84 . . 1 . . . . 141 Asp C . 17404 1 1021 . 1 1 162 162 ASP CA C 13 52.39 . . 1 . . . . 141 Asp CA . 17404 1 1022 . 1 1 162 162 ASP CB C 13 41.98 . . 1 . . . . 141 Asp CB . 17404 1 1023 . 1 1 162 162 ASP N N 15 118.21 . . 1 . . . . 141 Asp N . 17404 1 1024 . 1 1 163 163 LYS H H 1 8.72 . . 1 . . . . 142 Lys H . 17404 1 1025 . 1 1 163 163 LYS HA H 1 3.96 . . 1 . . . . 142 Lys HA . 17404 1 1026 . 1 1 163 163 LYS HB2 H 1 1.79 . . 2 . . . . 142 Lys HB2 . 17404 1 1027 . 1 1 163 163 LYS HB3 H 1 1.79 . . 2 . . . . 142 Lys HB3 . 17404 1 1028 . 1 1 163 163 LYS C C 13 181.76 . . 1 . . . . 142 Lys C . 17404 1 1029 . 1 1 163 163 LYS CA C 13 58.25 . . 1 . . . . 142 Lys CA . 17404 1 1030 . 1 1 163 163 LYS CB C 13 31.61 . . 1 . . . . 142 Lys CB . 17404 1 1031 . 1 1 163 163 LYS N N 15 125.41 . . 1 . . . . 142 Lys N . 17404 1 1032 . 1 1 164 164 ASN H H 1 8.70 . . 1 . . . . 143 Asn H . 17404 1 1033 . 1 1 164 164 ASN HA H 1 4.59 . . 1 . . . . 143 Asn HA . 17404 1 1034 . 1 1 164 164 ASN HB2 H 1 2.79 . . 2 . . . . 143 Asn HB2 . 17404 1 1035 . 1 1 164 164 ASN HB3 H 1 2.79 . . 2 . . . . 143 Asn HB3 . 17404 1 1036 . 1 1 164 164 ASN C C 13 180.31 . . 1 . . . . 143 Asn C . 17404 1 1037 . 1 1 164 164 ASN CA C 13 54.24 . . 1 . . . . 143 Asn CA . 17404 1 1038 . 1 1 164 164 ASN CB C 13 37.94 . . 1 . . . . 143 Asn CB . 17404 1 1039 . 1 1 164 164 ASN N N 15 116.94 . . 1 . . . . 143 Asn N . 17404 1 1040 . 1 1 165 165 LYS H H 1 7.85 . . 1 . . . . 144 Lys H . 17404 1 1041 . 1 1 165 165 LYS HA H 1 4.56 . . 1 . . . . 144 Lys HA . 17404 1 1042 . 1 1 165 165 LYS HB2 H 1 1.66 . . 2 . . . . 144 Lys HB2 . 17404 1 1043 . 1 1 165 165 LYS HB3 H 1 2.12 . . 2 . . . . 144 Lys HB3 . 17404 1 1044 . 1 1 165 165 LYS C C 13 180.71 . . 1 . . . . 144 Lys C . 17404 1 1045 . 1 1 165 165 LYS CA C 13 55.20 . . 1 . . . . 144 Lys CA . 17404 1 1046 . 1 1 165 165 LYS CB C 13 32.56 . . 1 . . . . 144 Lys CB . 17404 1 1047 . 1 1 165 165 LYS N N 15 118.90 . . 1 . . . . 144 Lys N . 17404 1 1048 . 1 1 166 166 VAL H H 1 7.24 . . 1 . . . . 145 Val H . 17404 1 1049 . 1 1 166 166 VAL HA H 1 3.50 . . 1 . . . . 145 Val HA . 17404 1 1050 . 1 1 166 166 VAL HB H 1 2.09 . . 1 . . . . 145 Val HB . 17404 1 1051 . 1 1 166 166 VAL C C 13 180.41 . . 1 . . . . 145 Val C . 17404 1 1052 . 1 1 166 166 VAL CA C 13 66.97 . . 1 . . . . 145 Val CA . 17404 1 1053 . 1 1 166 166 VAL CB C 13 32.03 . . 1 . . . . 145 Val CB . 17404 1 1054 . 1 1 166 166 VAL N N 15 119.75 . . 1 . . . . 145 Val N . 17404 1 1055 . 1 1 167 167 VAL H H 1 8.24 . . 1 . . . . 146 Val H . 17404 1 1056 . 1 1 167 167 VAL HA H 1 3.68 . . 1 . . . . 146 Val HA . 17404 1 1057 . 1 1 167 167 VAL HB H 1 1.93 . . 1 . . . . 146 Val HB . 17404 1 1058 . 1 1 167 167 VAL C C 13 181.51 . . 1 . . . . 146 Val C . 17404 1 1059 . 1 1 167 167 VAL CA C 13 66.66 . . 1 . . . . 146 Val CA . 17404 1 1060 . 1 1 167 167 VAL CB C 13 30.90 . . 1 . . . . 146 Val CB . 17404 1 1061 . 1 1 167 167 VAL N N 15 120.75 . . 1 . . . . 146 Val N . 17404 1 1062 . 1 1 168 168 GLY H H 1 8.06 . . 1 . . . . 147 Gly H . 17404 1 1063 . 1 1 168 168 GLY HA2 H 1 3.75 . . 2 . . . . 147 Gly HA2 . 17404 1 1064 . 1 1 168 168 GLY HA3 H 1 3.75 . . 2 . . . . 147 Gly HA3 . 17404 1 1065 . 1 1 168 168 GLY C C 13 179.75 . . 1 . . . . 147 Gly C . 17404 1 1066 . 1 1 168 168 GLY CA C 13 45.70 . . 1 . . . . 147 Gly CA . 17404 1 1067 . 1 1 168 168 GLY N N 15 104.72 . . 1 . . . . 147 Gly N . 17404 1 1068 . 1 1 169 169 PHE H H 1 7.91 . . 1 . . . . 148 Phe H . 17404 1 1069 . 1 1 169 169 PHE HA H 1 4.24 . . 1 . . . . 148 Phe HA . 17404 1 1070 . 1 1 169 169 PHE HB2 H 1 3.15 . . 2 . . . . 148 Phe HB2 . 17404 1 1071 . 1 1 169 169 PHE HB3 H 1 3.15 . . 2 . . . . 148 Phe HB3 . 17404 1 1072 . 1 1 169 169 PHE C C 13 183.07 . . 1 . . . . 148 Phe C . 17404 1 1073 . 1 1 169 169 PHE CA C 13 60.77 . . 1 . . . . 148 Phe CA . 17404 1 1074 . 1 1 169 169 PHE CB C 13 40.35 . . 1 . . . . 148 Phe CB . 17404 1 1075 . 1 1 169 169 PHE N N 15 122.12 . . 1 . . . . 148 Phe N . 17404 1 1076 . 1 1 170 170 VAL H H 1 8.60 . . 1 . . . . 149 Val H . 17404 1 1077 . 1 1 170 170 VAL HA H 1 3.85 . . 1 . . . . 149 Val HA . 17404 1 1078 . 1 1 170 170 VAL HB H 1 2.29 . . 1 . . . . 149 Val HB . 17404 1 1079 . 1 1 170 170 VAL C C 13 179.13 . . 1 . . . . 149 Val C . 17404 1 1080 . 1 1 170 170 VAL CA C 13 65.37 . . 1 . . . . 149 Val CA . 17404 1 1081 . 1 1 170 170 VAL CB C 13 30.94 . . 1 . . . . 149 Val CB . 17404 1 1082 . 1 1 170 170 VAL N N 15 116.71 . . 1 . . . . 149 Val N . 17404 1 1083 . 1 1 171 171 LEU H H 1 7.21 . . 1 . . . . 150 Leu H . 17404 1 1084 . 1 1 171 171 LEU HA H 1 4.62 . . 1 . . . . 150 Leu HA . 17404 1 1085 . 1 1 171 171 LEU HB2 H 1 1.75 . . 2 . . . . 150 Leu HB2 . 17404 1 1086 . 1 1 171 171 LEU HB3 H 1 1.79 . . 2 . . . . 150 Leu HB3 . 17404 1 1087 . 1 1 171 171 LEU C C 13 179.22 . . 1 . . . . 150 Leu C . 17404 1 1088 . 1 1 171 171 LEU CA C 13 53.12 . . 1 . . . . 150 Leu CA . 17404 1 1089 . 1 1 171 171 LEU CB C 13 39.87 . . 1 . . . . 150 Leu CB . 17404 1 1090 . 1 1 171 171 LEU N N 15 116.13 . . 1 . . . . 150 Leu N . 17404 1 1091 . 1 1 172 172 GLY H H 1 7.36 . . 1 . . . . 151 Gly H . 17404 1 1092 . 1 1 172 172 GLY C C 13 176.21 . . 1 . . . . 151 Gly C . 17404 1 1093 . 1 1 172 172 GLY CA C 13 43.05 . . 1 . . . . 151 Gly CA . 17404 1 1094 . 1 1 172 172 GLY N N 15 107.39 . . 1 . . . . 151 Gly N . 17404 1 1095 . 1 1 173 173 LYS H H 1 8.38 . . 1 . . . . 152 Lys H . 17404 1 1096 . 1 1 173 173 LYS HA H 1 4.94 . . 1 . . . . 152 Lys HA . 17404 1 1097 . 1 1 173 173 LYS HB2 H 1 1.82 . . 2 . . . . 152 Lys HB2 . 17404 1 1098 . 1 1 173 173 LYS HB3 H 1 1.82 . . 2 . . . . 152 Lys HB3 . 17404 1 1099 . 1 1 173 173 LYS CA C 13 52.97 . . 1 . . . . 152 Lys CA . 17404 1 1100 . 1 1 173 173 LYS CB C 13 33.37 . . 1 . . . . 152 Lys CB . 17404 1 1101 . 1 1 173 173 LYS N N 15 122.15 . . 1 . . . . 152 Lys N . 17404 1 1102 . 1 1 175 175 PRO C C 13 181.18 . . 1 . . . . 154 Pro C . 17404 1 1103 . 1 1 175 175 PRO CA C 13 61.96 . . 1 . . . . 154 Pro CA . 17404 1 1104 . 1 1 175 175 PRO CB C 13 32.02 . . 1 . . . . 154 Pro CB . 17404 1 1105 . 1 1 176 176 VAL H H 1 8.65 . . 1 . . . . 155 Val H . 17404 1 1106 . 1 1 176 176 VAL HA H 1 3.67 . . 1 . . . . 155 Val HA . 17404 1 1107 . 1 1 176 176 VAL HB H 1 2.02 . . 1 . . . . 155 Val HB . 17404 1 1108 . 1 1 176 176 VAL C C 13 181.46 . . 1 . . . . 155 Val C . 17404 1 1109 . 1 1 176 176 VAL CA C 13 66.24 . . 1 . . . . 155 Val CA . 17404 1 1110 . 1 1 176 176 VAL CB C 13 31.32 . . 1 . . . . 155 Val CB . 17404 1 1111 . 1 1 176 176 VAL N N 15 122.70 . . 1 . . . . 155 Val N . 17404 1 1112 . 1 1 177 177 SER H H 1 8.34 . . 1 . . . . 156 Ser H . 17404 1 1113 . 1 1 177 177 SER HA H 1 4.02 . . 1 . . . . 156 Ser HA . 17404 1 1114 . 1 1 177 177 SER HB2 H 1 3.67 . . 2 . . . . 156 Ser HB2 . 17404 1 1115 . 1 1 177 177 SER HB3 H 1 3.82 . . 2 . . . . 156 Ser HB3 . 17404 1 1116 . 1 1 177 177 SER C C 13 180.70 . . 1 . . . . 156 Ser C . 17404 1 1117 . 1 1 177 177 SER CA C 13 60.54 . . 1 . . . . 156 Ser CA . 17404 1 1118 . 1 1 177 177 SER CB C 13 61.28 . . 1 . . . . 156 Ser CB . 17404 1 1119 . 1 1 177 177 SER N N 15 113.27 . . 1 . . . . 156 Ser N . 17404 1 1120 . 1 1 178 178 GLU H H 1 6.86 . . 1 . . . . 157 Glu H . 17404 1 1121 . 1 1 178 178 GLU HA H 1 4.02 . . 1 . . . . 157 Glu HA . 17404 1 1122 . 1 1 178 178 GLU HB2 H 1 1.97 . . 2 . . . . 157 Glu HB2 . 17404 1 1123 . 1 1 178 178 GLU HB3 H 1 1.97 . . 2 . . . . 157 Glu HB3 . 17404 1 1124 . 1 1 178 178 GLU C C 13 181.76 . . 1 . . . . 157 Glu C . 17404 1 1125 . 1 1 178 178 GLU CA C 13 58.52 . . 1 . . . . 157 Glu CA . 17404 1 1126 . 1 1 178 178 GLU CB C 13 30.68 . . 1 . . . . 157 Glu CB . 17404 1 1127 . 1 1 178 178 GLU N N 15 120.97 . . 1 . . . . 157 Glu N . 17404 1 1128 . 1 1 179 179 GLN H H 1 8.59 . . 1 . . . . 158 Gln H . 17404 1 1129 . 1 1 179 179 GLN HA H 1 3.60 . . 1 . . . . 158 Gln HA . 17404 1 1130 . 1 1 179 179 GLN HB2 H 1 2.04 . . 2 . . . . 158 Gln HB2 . 17404 1 1131 . 1 1 179 179 GLN HB3 H 1 2.15 . . 2 . . . . 158 Gln HB3 . 17404 1 1132 . 1 1 179 179 GLN C C 13 181.00 . . 1 . . . . 158 Gln C . 17404 1 1133 . 1 1 179 179 GLN CA C 13 58.18 . . 1 . . . . 158 Gln CA . 17404 1 1134 . 1 1 179 179 GLN CB C 13 28.70 . . 1 . . . . 158 Gln CB . 17404 1 1135 . 1 1 179 179 GLN N N 15 120.30 . . 1 . . . . 158 Gln N . 17404 1 1136 . 1 1 180 180 LYS H H 1 7.88 . . 1 . . . . 159 Lys H . 17404 1 1137 . 1 1 180 180 LYS HA H 1 4.02 . . 1 . . . . 159 Lys HA . 17404 1 1138 . 1 1 180 180 LYS HB2 H 1 1.80 . . 2 . . . . 159 Lys HB2 . 17404 1 1139 . 1 1 180 180 LYS HB3 H 1 1.80 . . 2 . . . . 159 Lys HB3 . 17404 1 1140 . 1 1 180 180 LYS C C 13 182.36 . . 1 . . . . 159 Lys C . 17404 1 1141 . 1 1 180 180 LYS CA C 13 59.11 . . 1 . . . . 159 Lys CA . 17404 1 1142 . 1 1 180 180 LYS CB C 13 32.31 . . 1 . . . . 159 Lys CB . 17404 1 1143 . 1 1 180 180 LYS N N 15 116.02 . . 1 . . . . 159 Lys N . 17404 1 1144 . 1 1 181 181 LEU H H 1 6.75 . . 1 . . . . 160 Leu H . 17404 1 1145 . 1 1 181 181 LEU HA H 1 3.96 . . 1 . . . . 160 Leu HA . 17404 1 1146 . 1 1 181 181 LEU C C 13 183.15 . . 1 . . . . 160 Leu C . 17404 1 1147 . 1 1 181 181 LEU CA C 13 57.23 . . 1 . . . . 160 Leu CA . 17404 1 1148 . 1 1 181 181 LEU CB C 13 40.88 . . 1 . . . . 160 Leu CB . 17404 1 1149 . 1 1 181 181 LEU N N 15 116.38 . . 1 . . . . 160 Leu N . 17404 1 1150 . 1 1 182 182 ILE H H 1 8.15 . . 1 . . . . 161 Ile H . 17404 1 1151 . 1 1 182 182 ILE HA H 1 4.02 . . 1 . . . . 161 Ile HA . 17404 1 1152 . 1 1 182 182 ILE HB H 1 1.85 . . 1 . . . . 161 Ile HB . 17404 1 1153 . 1 1 182 182 ILE C C 13 182.23 . . 1 . . . . 161 Ile C . 17404 1 1154 . 1 1 182 182 ILE CA C 13 64.97 . . 1 . . . . 161 Ile CA . 17404 1 1155 . 1 1 182 182 ILE CB C 13 38.70 . . 1 . . . . 161 Ile CB . 17404 1 1156 . 1 1 182 182 ILE N N 15 121.01 . . 1 . . . . 161 Ile N . 17404 1 1157 . 1 1 183 183 ASP H H 1 9.00 . . 1 . . . . 162 Asp H . 17404 1 1158 . 1 1 183 183 ASP HA H 1 4.29 . . 1 . . . . 162 Asp HA . 17404 1 1159 . 1 1 183 183 ASP HB2 H 1 2.55 . . 2 . . . . 162 Asp HB2 . 17404 1 1160 . 1 1 183 183 ASP HB3 H 1 2.77 . . 2 . . . . 162 Asp HB3 . 17404 1 1161 . 1 1 183 183 ASP C C 13 184.14 . . 1 . . . . 162 Asp C . 17404 1 1162 . 1 1 183 183 ASP CA C 13 57.50 . . 1 . . . . 162 Asp CA . 17404 1 1163 . 1 1 183 183 ASP CB C 13 39.12 . . 1 . . . . 162 Asp CB . 17404 1 1164 . 1 1 183 183 ASP N N 15 119.59 . . 1 . . . . 162 Asp N . 17404 1 1165 . 1 1 184 184 GLU H H 1 7.95 . . 1 . . . . 163 Glu H . 17404 1 1166 . 1 1 184 184 GLU HA H 1 4.14 . . 1 . . . . 163 Glu HA . 17404 1 1167 . 1 1 184 184 GLU HB2 H 1 2.24 . . 2 . . . . 163 Glu HB2 . 17404 1 1168 . 1 1 184 184 GLU HB3 H 1 2.48 . . 2 . . . . 163 Glu HB3 . 17404 1 1169 . 1 1 184 184 GLU C C 13 183.24 . . 1 . . . . 163 Glu C . 17404 1 1170 . 1 1 184 184 GLU CA C 13 59.14 . . 1 . . . . 163 Glu CA . 17404 1 1171 . 1 1 184 184 GLU CB C 13 29.34 . . 1 . . . . 163 Glu CB . 17404 1 1172 . 1 1 184 184 GLU N N 15 119.71 . . 1 . . . . 163 Glu N . 17404 1 1173 . 1 1 185 185 ALA H H 1 8.28 . . 1 . . . . 164 Ala H . 17404 1 1174 . 1 1 185 185 ALA HA H 1 4.06 . . 1 . . . . 164 Ala HA . 17404 1 1175 . 1 1 185 185 ALA HB1 H 1 1.38 . . 1 . . . . 164 Ala HB1 . 17404 1 1176 . 1 1 185 185 ALA HB2 H 1 1.38 . . 1 . . . . 164 Ala HB2 . 17404 1 1177 . 1 1 185 185 ALA HB3 H 1 1.38 . . 1 . . . . 164 Ala HB3 . 17404 1 1178 . 1 1 185 185 ALA C C 13 183.15 . . 1 . . . . 164 Ala C . 17404 1 1179 . 1 1 185 185 ALA CA C 13 55.29 . . 1 . . . . 164 Ala CA . 17404 1 1180 . 1 1 185 185 ALA CB C 13 16.78 . . 1 . . . . 164 Ala CB . 17404 1 1181 . 1 1 185 185 ALA N N 15 124.30 . . 1 . . . . 164 Ala N . 17404 1 1182 . 1 1 186 186 ILE H H 1 9.06 . . 1 . . . . 165 Ile H . 17404 1 1183 . 1 1 186 186 ILE HA H 1 3.56 . . 1 . . . . 165 Ile HA . 17404 1 1184 . 1 1 186 186 ILE HB H 1 2.10 . . 1 . . . . 165 Ile HB . 17404 1 1185 . 1 1 186 186 ILE C C 13 181.21 . . 1 . . . . 165 Ile C . 17404 1 1186 . 1 1 186 186 ILE CA C 13 66.65 . . 1 . . . . 165 Ile CA . 17404 1 1187 . 1 1 186 186 ILE CB C 13 37.38 . . 1 . . . . 165 Ile CB . 17404 1 1188 . 1 1 186 186 ILE N N 15 118.66 . . 1 . . . . 165 Ile N . 17404 1 1189 . 1 1 187 187 ASP H H 1 7.89 . . 1 . . . . 166 Asp H . 17404 1 1190 . 1 1 187 187 ASP HA H 1 4.24 . . 1 . . . . 166 Asp HA . 17404 1 1191 . 1 1 187 187 ASP HB2 H 1 2.75 . . 2 . . . . 166 Asp HB2 . 17404 1 1192 . 1 1 187 187 ASP HB3 H 1 2.75 . . 2 . . . . 166 Asp HB3 . 17404 1 1193 . 1 1 187 187 ASP C C 13 182.09 . . 1 . . . . 166 Asp C . 17404 1 1194 . 1 1 187 187 ASP CA C 13 57.20 . . 1 . . . . 166 Asp CA . 17404 1 1195 . 1 1 187 187 ASP CB C 13 41.43 . . 1 . . . . 166 Asp CB . 17404 1 1196 . 1 1 187 187 ASP N N 15 120.83 . . 1 . . . . 166 Asp N . 17404 1 1197 . 1 1 188 188 GLU H H 1 7.51 . . 1 . . . . 167 Glu H . 17404 1 1198 . 1 1 188 188 GLU HA H 1 4.07 . . 1 . . . . 167 Glu HA . 17404 1 1199 . 1 1 188 188 GLU C C 13 183.60 . . 1 . . . . 167 Glu C . 17404 1 1200 . 1 1 188 188 GLU CA C 13 58.07 . . 1 . . . . 167 Glu CA . 17404 1 1201 . 1 1 188 188 GLU CB C 13 27.64 . . 1 . . . . 167 Glu CB . 17404 1 1202 . 1 1 188 188 GLU N N 15 120.01 . . 1 . . . . 167 Glu N . 17404 1 1203 . 1 1 189 189 ALA H H 1 9.20 . . 1 . . . . 168 Ala H . 17404 1 1204 . 1 1 189 189 ALA HA H 1 3.77 . . 1 . . . . 168 Ala HA . 17404 1 1205 . 1 1 189 189 ALA HB1 H 1 1.22 . . 1 . . . . 168 Ala HB1 . 17404 1 1206 . 1 1 189 189 ALA HB2 H 1 1.22 . . 1 . . . . 168 Ala HB2 . 17404 1 1207 . 1 1 189 189 ALA HB3 H 1 1.22 . . 1 . . . . 168 Ala HB3 . 17404 1 1208 . 1 1 189 189 ALA C C 13 185.04 . . 1 . . . . 168 Ala C . 17404 1 1209 . 1 1 189 189 ALA CA C 13 55.34 . . 1 . . . . 168 Ala CA . 17404 1 1210 . 1 1 189 189 ALA CB C 13 18.09 . . 1 . . . . 168 Ala CB . 17404 1 1211 . 1 1 189 189 ALA N N 15 122.74 . . 1 . . . . 168 Ala N . 17404 1 1212 . 1 1 190 190 ALA H H 1 9.12 . . 1 . . . . 169 Ala H . 17404 1 1213 . 1 1 190 190 ALA HA H 1 4.12 . . 1 . . . . 169 Ala HA . 17404 1 1214 . 1 1 190 190 ALA HB1 H 1 1.42 . . 1 . . . . 169 Ala HB1 . 17404 1 1215 . 1 1 190 190 ALA HB2 H 1 1.42 . . 1 . . . . 169 Ala HB2 . 17404 1 1216 . 1 1 190 190 ALA HB3 H 1 1.42 . . 1 . . . . 169 Ala HB3 . 17404 1 1217 . 1 1 190 190 ALA C C 13 183.70 . . 1 . . . . 169 Ala C . 17404 1 1218 . 1 1 190 190 ALA CA C 13 56.19 . . 1 . . . . 169 Ala CA . 17404 1 1219 . 1 1 190 190 ALA CB C 13 17.15 . . 1 . . . . 169 Ala CB . 17404 1 1220 . 1 1 190 190 ALA N N 15 125.75 . . 1 . . . . 169 Ala N . 17404 1 1221 . 1 1 191 191 ARG H H 1 7.92 . . 1 . . . . 170 Arg H . 17404 1 1222 . 1 1 191 191 ARG HA H 1 4.10 . . 1 . . . . 170 Arg HA . 17404 1 1223 . 1 1 191 191 ARG HB2 H 1 1.79 . . 2 . . . . 170 Arg HB2 . 17404 1 1224 . 1 1 191 191 ARG HB3 H 1 1.97 . . 2 . . . . 170 Arg HB3 . 17404 1 1225 . 1 1 191 191 ARG C C 13 184.96 . . 1 . . . . 170 Arg C . 17404 1 1226 . 1 1 191 191 ARG CA C 13 59.18 . . 1 . . . . 170 Arg CA . 17404 1 1227 . 1 1 191 191 ARG CB C 13 29.35 . . 1 . . . . 170 Arg CB . 17404 1 1228 . 1 1 191 191 ARG N N 15 120.42 . . 1 . . . . 170 Arg N . 17404 1 1229 . 1 1 192 192 CYS H H 1 8.96 . . 1 . . . . 171 Cys H . 17404 1 1230 . 1 1 192 192 CYS HA H 1 4.32 . . 1 . . . . 171 Cys HA . 17404 1 1231 . 1 1 192 192 CYS HB2 H 1 2.82 . . 2 . . . . 171 Cys HB2 . 17404 1 1232 . 1 1 192 192 CYS HB3 H 1 3.00 . . 2 . . . . 171 Cys HB3 . 17404 1 1233 . 1 1 192 192 CYS C C 13 181.47 . . 1 . . . . 171 Cys C . 17404 1 1234 . 1 1 192 192 CYS CA C 13 63.86 . . 1 . . . . 171 Cys CA . 17404 1 1235 . 1 1 192 192 CYS CB C 13 27.01 . . 1 . . . . 171 Cys CB . 17404 1 1236 . 1 1 192 192 CYS N N 15 118.57 . . 1 . . . . 171 Cys N . 17404 1 1237 . 1 1 193 193 THR H H 1 8.72 . . 1 . . . . 172 Thr H . 17404 1 1238 . 1 1 193 193 THR HA H 1 4.47 . . 1 . . . . 172 Thr HA . 17404 1 1239 . 1 1 193 193 THR HB H 1 4.15 . . 1 . . . . 172 Thr HB . 17404 1 1240 . 1 1 193 193 THR C C 13 179.73 . . 1 . . . . 172 Thr C . 17404 1 1241 . 1 1 193 193 THR CA C 13 68.64 . . 1 . . . . 172 Thr CA . 17404 1 1242 . 1 1 193 193 THR CB C 13 67.27 . . 1 . . . . 172 Thr CB . 17404 1 1243 . 1 1 193 193 THR N N 15 121.07 . . 1 . . . . 172 Thr N . 17404 1 1244 . 1 1 194 194 GLU H H 1 7.65 . . 1 . . . . 173 Glu H . 17404 1 1245 . 1 1 194 194 GLU HA H 1 3.88 . . 1 . . . . 173 Glu HA . 17404 1 1246 . 1 1 194 194 GLU HB2 H 1 2.01 . . 2 . . . . 173 Glu HB2 . 17404 1 1247 . 1 1 194 194 GLU HB3 H 1 2.10 . . 2 . . . . 173 Glu HB3 . 17404 1 1248 . 1 1 194 194 GLU C C 13 182.54 . . 1 . . . . 173 Glu C . 17404 1 1249 . 1 1 194 194 GLU CA C 13 61.02 . . 1 . . . . 173 Glu CA . 17404 1 1250 . 1 1 194 194 GLU CB C 13 29.14 . . 1 . . . . 173 Glu CB . 17404 1 1251 . 1 1 194 194 GLU N N 15 120.03 . . 1 . . . . 173 Glu N . 17404 1 1252 . 1 1 195 195 MET H H 1 7.73 . . 1 . . . . 174 Met H . 17404 1 1253 . 1 1 195 195 MET HA H 1 4.33 . . 1 . . . . 174 Met HA . 17404 1 1254 . 1 1 195 195 MET HB2 H 1 2.18 . . 2 . . . . 174 Met HB2 . 17404 1 1255 . 1 1 195 195 MET HB3 H 1 2.22 . . 2 . . . . 174 Met HB3 . 17404 1 1256 . 1 1 195 195 MET C C 13 177.86 . . 1 . . . . 174 Met C . 17404 1 1257 . 1 1 195 195 MET CA C 13 57.88 . . 1 . . . . 174 Met CA . 17404 1 1258 . 1 1 195 195 MET CB C 13 33.22 . . 1 . . . . 174 Met CB . 17404 1 1259 . 1 1 195 195 MET N N 15 117.15 . . 1 . . . . 174 Met N . 17404 1 1260 . 1 1 196 196 TRP H H 1 8.14 . . 1 . . . . 175 Trp H . 17404 1 1261 . 1 1 196 196 TRP HA H 1 3.96 . . 1 . . . . 175 Trp HA . 17404 1 1262 . 1 1 196 196 TRP HB2 H 1 3.57 . . 2 . . . . 175 Trp HB2 . 17404 1 1263 . 1 1 196 196 TRP HB3 H 1 3.57 . . 2 . . . . 175 Trp HB3 . 17404 1 1264 . 1 1 196 196 TRP C C 13 182.82 . . 1 . . . . 175 Trp C . 17404 1 1265 . 1 1 196 196 TRP CA C 13 57.94 . . 1 . . . . 175 Trp CA . 17404 1 1266 . 1 1 196 196 TRP CB C 13 28.44 . . 1 . . . . 175 Trp CB . 17404 1 1267 . 1 1 196 196 TRP N N 15 124.40 . . 1 . . . . 175 Trp N . 17404 1 1268 . 1 1 197 197 PHE H H 1 7.41 . . 1 . . . . 176 Phe H . 17404 1 1269 . 1 1 197 197 PHE HA H 1 4.02 . . 1 . . . . 176 Phe HA . 17404 1 1270 . 1 1 197 197 PHE HB2 H 1 2.90 . . 2 . . . . 176 Phe HB2 . 17404 1 1271 . 1 1 197 197 PHE HB3 H 1 3.12 . . 2 . . . . 176 Phe HB3 . 17404 1 1272 . 1 1 197 197 PHE C C 13 181.09 . . 1 . . . . 176 Phe C . 17404 1 1273 . 1 1 197 197 PHE CA C 13 61.36 . . 1 . . . . 176 Phe CA . 17404 1 1274 . 1 1 197 197 PHE CB C 13 38.92 . . 1 . . . . 176 Phe CB . 17404 1 1275 . 1 1 197 197 PHE N N 15 115.00 . . 1 . . . . 176 Phe N . 17404 1 1276 . 1 1 198 198 THR H H 1 7.98 . . 1 . . . . 177 Thr H . 17404 1 1277 . 1 1 198 198 THR HA H 1 4.32 . . 1 . . . . 177 Thr HA . 17404 1 1278 . 1 1 198 198 THR HB H 1 4.19 . . 1 . . . . 177 Thr HB . 17404 1 1279 . 1 1 198 198 THR C C 13 179.84 . . 1 . . . . 177 Thr C . 17404 1 1280 . 1 1 198 198 THR CA C 13 63.76 . . 1 . . . . 177 Thr CA . 17404 1 1281 . 1 1 198 198 THR CB C 13 69.10 . . 1 . . . . 177 Thr CB . 17404 1 1282 . 1 1 198 198 THR N N 15 109.05 . . 1 . . . . 177 Thr N . 17404 1 1283 . 1 1 199 199 ASP H H 1 9.21 . . 1 . . . . 178 Asp H . 17404 1 1284 . 1 1 199 199 ASP HA H 1 4.84 . . 1 . . . . 178 Asp HA . 17404 1 1285 . 1 1 199 199 ASP HB2 H 1 2.44 . . 2 . . . . 178 Asp HB2 . 17404 1 1286 . 1 1 199 199 ASP HB3 H 1 2.62 . . 2 . . . . 178 Asp HB3 . 17404 1 1287 . 1 1 199 199 ASP C C 13 180.57 . . 1 . . . . 178 Asp C . 17404 1 1288 . 1 1 199 199 ASP CA C 13 54.59 . . 1 . . . . 178 Asp CA . 17404 1 1289 . 1 1 199 199 ASP CB C 13 43.55 . . 1 . . . . 178 Asp CB . 17404 1 1290 . 1 1 199 199 ASP N N 15 121.13 . . 1 . . . . 178 Asp N . 17404 1 1291 . 1 1 200 200 GLY H H 1 7.72 . . 1 . . . . 179 Gly H . 17404 1 1292 . 1 1 200 200 GLY C C 13 177.00 . . 1 . . . . 179 Gly C . 17404 1 1293 . 1 1 200 200 GLY CA C 13 44.65 . . 1 . . . . 179 Gly CA . 17404 1 1294 . 1 1 200 200 GLY N N 15 110.61 . . 1 . . . . 179 Gly N . 17404 1 1295 . 1 1 201 201 LEU H H 1 8.22 . . 1 . . . . 180 Leu H . 17404 1 1296 . 1 1 201 201 LEU C C 13 183.00 . . 1 . . . . 180 Leu C . 17404 1 1297 . 1 1 201 201 LEU CA C 13 57.03 . . 1 . . . . 180 Leu CA . 17404 1 1298 . 1 1 201 201 LEU CB C 13 40.80 . . 1 . . . . 180 Leu CB . 17404 1 1299 . 1 1 201 201 LEU N N 15 121.10 . . 1 . . . . 180 Leu N . 17404 1 1300 . 1 1 202 202 THR H H 1 8.33 . . 1 . . . . 181 Thr H . 17404 1 1301 . 1 1 202 202 THR HA H 1 3.94 . . 1 . . . . 181 Thr HA . 17404 1 1302 . 1 1 202 202 THR HB H 1 3.60 . . 1 . . . . 181 Thr HB . 17404 1 1303 . 1 1 202 202 THR C C 13 179.90 . . 1 . . . . 181 Thr C . 17404 1 1304 . 1 1 202 202 THR CA C 13 67.10 . . 1 . . . . 181 Thr CA . 17404 1 1305 . 1 1 202 202 THR CB C 13 68.00 . . 1 . . . . 181 Thr CB . 17404 1 1306 . 1 1 202 202 THR N N 15 118.90 . . 1 . . . . 181 Thr N . 17404 1 1307 . 1 1 203 203 LYS H H 1 8.23 . . 1 . . . . 182 Lys H . 17404 1 1308 . 1 1 203 203 LYS HA H 1 3.83 . . 1 . . . . 182 Lys HA . 17404 1 1309 . 1 1 203 203 LYS HB2 H 1 1.47 . . 2 . . . . 182 Lys HB2 . 17404 1 1310 . 1 1 203 203 LYS HB3 H 1 1.56 . . 2 . . . . 182 Lys HB3 . 17404 1 1311 . 1 1 203 203 LYS C C 13 183.27 . . 1 . . . . 182 Lys C . 17404 1 1312 . 1 1 203 203 LYS CA C 13 59.43 . . 1 . . . . 182 Lys CA . 17404 1 1313 . 1 1 203 203 LYS CB C 13 32.04 . . 1 . . . . 182 Lys CB . 17404 1 1314 . 1 1 203 203 LYS N N 15 121.40 . . 1 . . . . 182 Lys N . 17404 1 1315 . 1 1 204 204 ALA H H 1 7.54 . . 1 . . . . 183 Ala H . 17404 1 1316 . 1 1 204 204 ALA HA H 1 4.10 . . 1 . . . . 183 Ala HA . 17404 1 1317 . 1 1 204 204 ALA HB1 H 1 1.34 . . 1 . . . . 183 Ala HB1 . 17404 1 1318 . 1 1 204 204 ALA HB2 H 1 1.34 . . 1 . . . . 183 Ala HB2 . 17404 1 1319 . 1 1 204 204 ALA HB3 H 1 1.34 . . 1 . . . . 183 Ala HB3 . 17404 1 1320 . 1 1 204 204 ALA C C 13 182.84 . . 1 . . . . 183 Ala C . 17404 1 1321 . 1 1 204 204 ALA CA C 13 55.33 . . 1 . . . . 183 Ala CA . 17404 1 1322 . 1 1 204 204 ALA CB C 13 19.06 . . 1 . . . . 183 Ala CB . 17404 1 1323 . 1 1 204 204 ALA N N 15 121.30 . . 1 . . . . 183 Ala N . 17404 1 1324 . 1 1 205 205 THR H H 1 8.40 . . 1 . . . . 184 Thr H . 17404 1 1325 . 1 1 205 205 THR HA H 1 3.50 . . 1 . . . . 184 Thr HA . 17404 1 1326 . 1 1 205 205 THR HB H 1 3.90 . . 1 . . . . 184 Thr HB . 17404 1 1327 . 1 1 205 205 THR C C 13 179.04 . . 1 . . . . 184 Thr C . 17404 1 1328 . 1 1 205 205 THR CA C 13 66.19 . . 1 . . . . 184 Thr CA . 17404 1 1329 . 1 1 205 205 THR CB C 13 68.28 . . 1 . . . . 184 Thr CB . 17404 1 1330 . 1 1 205 205 THR N N 15 114.11 . . 1 . . . . 184 Thr N . 17404 1 1331 . 1 1 206 206 ASN H H 1 8.05 . . 1 . . . . 185 Asn H . 17404 1 1332 . 1 1 206 206 ASN HA H 1 4.20 . . 1 . . . . 185 Asn HA . 17404 1 1333 . 1 1 206 206 ASN HB2 H 1 2.68 . . 2 . . . . 185 Asn HB2 . 17404 1 1334 . 1 1 206 206 ASN HB3 H 1 2.68 . . 2 . . . . 185 Asn HB3 . 17404 1 1335 . 1 1 206 206 ASN C C 13 182.05 . . 1 . . . . 185 Asn C . 17404 1 1336 . 1 1 206 206 ASN CA C 13 55.25 . . 1 . . . . 185 Asn CA . 17404 1 1337 . 1 1 206 206 ASN CB C 13 37.25 . . 1 . . . . 185 Asn CB . 17404 1 1338 . 1 1 206 206 ASN N N 15 119.51 . . 1 . . . . 185 Asn N . 17404 1 1339 . 1 1 207 207 ARG H H 1 7.37 . . 1 . . . . 186 Arg H . 17404 1 1340 . 1 1 207 207 ARG HA H 1 4.09 . . 1 . . . . 186 Arg HA . 17404 1 1341 . 1 1 207 207 ARG HB2 H 1 1.70 . . 2 . . . . 186 Arg HB2 . 17404 1 1342 . 1 1 207 207 ARG HB3 H 1 1.90 . . 2 . . . . 186 Arg HB3 . 17404 1 1343 . 1 1 207 207 ARG C C 13 182.12 . . 1 . . . . 186 Arg C . 17404 1 1344 . 1 1 207 207 ARG CA C 13 58.90 . . 1 . . . . 186 Arg CA . 17404 1 1345 . 1 1 207 207 ARG CB C 13 29.39 . . 1 . . . . 186 Arg CB . 17404 1 1346 . 1 1 207 207 ARG N N 15 117.99 . . 1 . . . . 186 Arg N . 17404 1 1347 . 1 1 208 208 LEU H H 1 8.41 . . 1 . . . . 187 Leu H . 17404 1 1348 . 1 1 208 208 LEU HA H 1 4.09 . . 1 . . . . 187 Leu HA . 17404 1 1349 . 1 1 208 208 LEU HB2 H 1 1.70 . . 2 . . . . 187 Leu HB2 . 17404 1 1350 . 1 1 208 208 LEU HB3 H 1 1.70 . . 2 . . . . 187 Leu HB3 . 17404 1 1351 . 1 1 208 208 LEU C C 13 183.48 . . 1 . . . . 187 Leu C . 17404 1 1352 . 1 1 208 208 LEU CA C 13 58.33 . . 1 . . . . 187 Leu CA . 17404 1 1353 . 1 1 208 208 LEU CB C 13 40.26 . . 1 . . . . 187 Leu CB . 17404 1 1354 . 1 1 208 208 LEU N N 15 121.94 . . 1 . . . . 187 Leu N . 17404 1 1355 . 1 1 209 209 HIS H H 1 9.17 . . 1 . . . . 188 His H . 17404 1 1356 . 1 1 209 209 HIS HA H 1 4.83 . . 1 . . . . 188 His HA . 17404 1 1357 . 1 1 209 209 HIS HB2 H 1 3.22 . . 2 . . . . 188 His HB2 . 17404 1 1358 . 1 1 209 209 HIS HB3 H 1 3.22 . . 2 . . . . 188 His HB3 . 17404 1 1359 . 1 1 209 209 HIS C C 13 180.59 . . 1 . . . . 188 His C . 17404 1 1360 . 1 1 209 209 HIS CA C 13 56.47 . . 1 . . . . 188 His CA . 17404 1 1361 . 1 1 209 209 HIS CB C 13 27.38 . . 1 . . . . 188 His CB . 17404 1 1362 . 1 1 209 209 HIS N N 15 115.03 . . 1 . . . . 188 His N . 17404 1 1363 . 1 1 210 210 ALA H H 1 7.29 . . 1 . . . . 189 Ala H . 17404 1 1364 . 1 1 210 210 ALA HA H 1 4.44 . . 1 . . . . 189 Ala HA . 17404 1 1365 . 1 1 210 210 ALA HB1 H 1 1.48 . . 1 . . . . 189 Ala HB1 . 17404 1 1366 . 1 1 210 210 ALA HB2 H 1 1.48 . . 1 . . . . 189 Ala HB2 . 17404 1 1367 . 1 1 210 210 ALA HB3 H 1 1.48 . . 1 . . . . 189 Ala HB3 . 17404 1 1368 . 1 1 210 210 ALA C C 13 180.89 . . 1 . . . . 189 Ala C . 17404 1 1369 . 1 1 210 210 ALA CA C 13 51.73 . . 1 . . . . 189 Ala CA . 17404 1 1370 . 1 1 210 210 ALA CB C 13 19.18 . . 1 . . . . 189 Ala CB . 17404 1 1371 . 1 1 210 210 ALA N N 15 121.31 . . 1 . . . . 189 Ala N . 17404 1 1372 . 1 1 211 211 PHE H H 1 7.69 . . 1 . . . . 190 Phe H . 17404 1 1373 . 1 1 211 211 PHE HA H 1 4.34 . . 1 . . . . 190 Phe HA . 17404 1 1374 . 1 1 211 211 PHE HB2 H 1 2.24 . . 2 . . . . 190 Phe HB2 . 17404 1 1375 . 1 1 211 211 PHE HB3 H 1 3.40 . . 2 . . . . 190 Phe HB3 . 17404 1 1376 . 1 1 211 211 PHE C C 13 179.48 . . 1 . . . . 190 Phe C . 17404 1 1377 . 1 1 211 211 PHE CA C 13 58.87 . . 1 . . . . 190 Phe CA . 17404 1 1378 . 1 1 211 211 PHE CB C 13 39.32 . . 1 . . . . 190 Phe CB . 17404 1 1379 . 1 1 211 211 PHE N N 15 121.43 . . 1 . . . . 190 Phe N . 17404 1 1380 . 1 1 212 212 LYS H H 1 7.55 . . 1 . . . . 191 Lys H . 17404 1 1381 . 1 1 212 212 LYS HA H 1 4.12 . . 1 . . . . 191 Lys HA . 17404 1 1382 . 1 1 212 212 LYS HB2 H 1 1.41 . . 2 . . . . 191 Lys HB2 . 17404 1 1383 . 1 1 212 212 LYS HB3 H 1 1.41 . . 2 . . . . 191 Lys HB3 . 17404 1 1384 . 1 1 212 212 LYS C C 13 178.01 . . 1 . . . . 191 Lys C . 17404 1 1385 . 1 1 212 212 LYS CA C 13 55.53 . . 1 . . . . 191 Lys CA . 17404 1 1386 . 1 1 212 212 LYS CB C 13 34.25 . . 1 . . . . 191 Lys CB . 17404 1 1387 . 1 1 212 212 LYS N N 15 129.57 . . 1 . . . . 191 Lys N . 17404 1 1388 . 1 1 213 213 ALA H H 1 8.45 . . 1 . . . . 192 Ala H . 17404 1 1389 . 1 1 213 213 ALA HA H 1 3.90 . . 1 . . . . 192 Ala HA . 17404 1 1390 . 1 1 213 213 ALA HB1 H 1 1.62 . . 1 . . . . 192 Ala HB1 . 17404 1 1391 . 1 1 213 213 ALA HB2 H 1 1.62 . . 1 . . . . 192 Ala HB2 . 17404 1 1392 . 1 1 213 213 ALA HB3 H 1 1.62 . . 1 . . . . 192 Ala HB3 . 17404 1 1393 . 1 1 213 213 ALA C C 13 179.70 . . 1 . . . . 192 Ala C . 17404 1 1394 . 1 1 213 213 ALA CA C 13 52.42 . . 1 . . . . 192 Ala CA . 17404 1 1395 . 1 1 213 213 ALA CB C 13 20.86 . . 1 . . . . 192 Ala CB . 17404 1 1396 . 1 1 213 213 ALA N N 15 129.85 . . 1 . . . . 192 Ala N . 17404 1 1397 . 1 1 214 214 GLN H H 1 7.98 . . 1 . . . . 193 Gln H . 17404 1 1398 . 1 1 214 214 GLN HA H 1 4.13 . . 1 . . . . 193 Gln HA . 17404 1 1399 . 1 1 214 214 GLN HB2 H 1 1.80 . . 2 . . . . 193 Gln HB2 . 17404 1 1400 . 1 1 214 214 GLN HB3 H 1 1.95 . . 2 . . . . 193 Gln HB3 . 17404 1 1401 . 1 1 214 214 GLN CA C 13 56.46 . . 1 . . . . 193 Gln CA . 17404 1 1402 . 1 1 214 214 GLN CB C 13 31.57 . . 1 . . . . 193 Gln CB . 17404 1 1403 . 1 1 214 214 GLN N N 15 123.39 . . 1 . . . . 193 Gln N . 17404 1 stop_ save_