data_16837 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16837 _Entry.Title ; HAV 3C C24S ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-06 _Entry.Accession_date 2010-04-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Baerbel Blaum . S. . 16837 2 Wuensche Winfried . . . 16837 3 Benie Andrew . J. . 16837 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16837 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 494 16837 '15N chemical shifts' 157 16837 '1H chemical shifts' 157 16837 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-08-22 2010-04-06 update BMRB 'update entry citation' 16837 1 . . 2011-12-15 2010-04-06 original author 'original release' 16837 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16837 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22156376 _Citation.Full_citation . _Citation.Title 'Functional binding of hexanucleotides to 3C protease of hepatitis A virus.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 40 _Citation.Journal_issue 7 _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 3042 _Citation.Page_last 3055 _Citation.Year 2012 _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 Barbel Blaum . S. . 16837 1 2 Winfried Wunsche . . . 16837 1 3 Andrew Benie . J. . 16837 1 4 Yuri Kusov . . . 16837 1 5 Hannelore Peters . . . 16837 1 6 Verena Gauss-Muller . . . 16837 1 7 Thomas Peters . . . 16837 1 8 Georg Sczakiel . . . 16837 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16837 _Assembly.ID 1 _Assembly.Name 'HAV 3C C24S' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HAV 3C C24S' 1 $HAV_3C_protease_C24S A . yes native yes no . . . 16837 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HAV_3C_protease_C24S _Entity.Sf_category entity _Entity.Sf_framecode HAV_3C_protease_C24S _Entity.Entry_ID 16837 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HAV_3C_protease_C24S _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 ; STLEIAGLVRKNLVQFGVGE KNGSVRWVMNALGVKDDWLL VPSHAYKFEKDYEMMEFYFN RGGTYYSISAGNVVIQSLDV GFQDVVLMKVPTIPKFRDIT QHFIKKGDVPRALNRLATLV TTVNGTPMLISEGPLKMEEK ATYVHKKNDGTTVDLTVDQA WRGKGEGLPGMCGGALVSSN QSIQNAILGIHVAGGNSILV AKLVTQEMFQNIDKKIE ; _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 217 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 1HAV . "Hepatitis A Virus 3c Proteinase" . . . . . 100.00 217 100.00 100.00 2.52e-157 . . . . 16837 1 2 no PDB 1QA7 . "Crystal Complex Of The 3c Proteinase From Hepatitis A Virus With Its Inhibitor And Implications For The Polyprotein Processing " . . . . . 100.00 217 99.54 99.54 3.80e-156 . . . . 16837 1 3 no PDB 2A4O . "Dual Modes Of Modification Of Hepatitis A Virus 3c Protease By A Serine Derived Beta-Lactone: Selective Crytstallization And Hi" . . . . . 100.00 219 100.00 100.00 2.62e-157 . . . . 16837 1 4 no PDB 2CXV . "Dual Modes Of Modification Of Hepatitis A Virus 3c Protease By A Serine-Derived Betalactone: Selective Crystallization And High" . . . . . 100.00 219 100.00 100.00 2.62e-157 . . . . 16837 1 5 no PDB 2H6M . "An Episulfide Cation (Thiiranium Ring) Trapped In The Active Site Of Hav 3c Proteinase Inactivated By Peptide-Based Ketone Inhi" . . . . . 97.70 212 100.00 100.00 2.11e-153 . . . . 16837 1 6 no PDB 2H9H . "An Episulfide Cation (Thiiranium Ring) Trapped In The Active Site Of Hav 3c Proteinase Inactivated By Peptide-Based Ketone Inhi" . . . . . 97.70 212 100.00 100.00 2.11e-153 . . . . 16837 1 7 no PDB 2HAL . "An Episulfide Cation (Thiiranium Ring) Trapped In The Active Site Of Hav 3c Proteinase Inactivated By Peptide-Based Ketone Inhi" . . . . . 97.70 212 100.00 100.00 2.11e-153 . . . . 16837 1 8 no DBJ BAA35102 . "polyprotein [Hepatitis A virus]" . . . . . 100.00 2227 99.54 99.54 3.54e-141 . . . . 16837 1 9 no DBJ BAA35103 . "polyprotein [Hepatitis A virus]" . . . . . 100.00 2227 99.54 99.54 4.92e-141 . . . . 16837 1 10 no DBJ BAA35104 . "polyprotein [Hepatitis A virus]" . . . . . 100.00 2216 99.08 99.08 7.56e-140 . . . . 16837 1 11 no DBJ BAA35105 . "polyprotein [Hepatitis A virus]" . . . . . 100.00 2227 99.54 99.54 5.07e-141 . . . . 16837 1 12 no DBJ BAA35106 . "polyprotein [Hepatitis A virus]" . . . . . 100.00 2227 99.54 99.54 3.50e-141 . . . . 16837 1 13 no EMBL CAA33491 . "unnamed protein product, partial [Hepatitis A virus]" . . . . . 100.00 891 99.08 99.54 1.24e-147 . . . . 16837 1 14 no EMBL CAA50195 . "viral polyprotein, partial [Hepatitis A virus]" . . . . . 100.00 746 98.62 99.08 4.49e-148 . . . . 16837 1 15 no EMBL CAA53024 . "unnamed protein product [Hepatitis A virus]" . . . . . 100.00 2218 98.62 99.08 7.95e-140 . . . . 16837 1 16 no EMBL CAA53025 . "unnamed protein product [Hepatitis A virus]" . . . . . 100.00 2227 99.08 99.08 2.21e-140 . . . . 16837 1 17 no EMBL CAA53026 . "unnamed protein product [Hepatitis A virus]" . . . . . 100.00 2227 99.54 99.54 4.41e-141 . . . . 16837 1 18 no GB AAA45465 . "polyprotein a (alt.) [Hepatitis A virus]" . . . . . 100.00 2227 99.54 99.54 3.76e-141 . . . . 16837 1 19 no GB AAA45466 . "polyprotein b (alt.) [Hepatitis A virus]" . . . . . 100.00 2225 99.54 99.54 3.43e-141 . . . . 16837 1 20 no GB AAA45467 . "viral protein [Hepatitis A virus]" . . . . . 100.00 2226 99.08 99.54 1.54e-140 . . . . 16837 1 21 no GB AAA45468 . "viral protein [Hepatitis A virus]" . . . . . 100.00 2226 99.08 99.54 1.36e-140 . . . . 16837 1 22 no GB AAA45469 . "viral protein [Hepatitis A virus]" . . . . . 100.00 2226 98.62 99.08 3.44e-140 . . . . 16837 1 23 no PIR GNNYHB . "genome polyprotein - human hepatitis A virus (strain MBB) [Human hepatitis A virus]" . . . . . 100.00 2227 99.54 99.54 4.41e-141 . . . . 16837 1 24 no REF NP_041007 . "hypothetical protein HAVgp1 [Hepatitis A virus]" . . . . . 100.00 2227 99.54 99.54 3.76e-141 . . . . 16837 1 25 no REF NP_041008 . "hypothetical protein HAVgp2 [Hepatitis A virus]" . . . . . 100.00 2225 99.54 99.54 3.43e-141 . . . . 16837 1 26 no REF NP_740558 . "3C mature peptide [Hepatitis A virus]" . . . . . 100.00 219 99.54 99.54 1.43e-156 . . . . 16837 1 27 no SP A3FMB2 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Protein VP0; AltName: Full=VP4-VP2; Contains: RecName: Full=Protein V" . . . . . 100.00 2227 99.54 99.54 4.41e-141 . . . . 16837 1 28 no SP A5LGW7 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Protein VP0; AltName: Full=VP4-VP2; Contains: RecName: Full=Protein V" . . . . . 99.54 2228 97.22 99.07 1.11e-138 . . . . 16837 1 29 no SP P06441 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Protein VP0; AltName: Full=VP4-VP2; Contains: RecName: Full=Protein V" . . . . . 100.00 2227 99.54 99.54 3.79e-141 . . . . 16837 1 30 no SP P08617 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Protein VP0; AltName: Full=VP4-VP2; Contains: RecName: Full=Protein V" . . . . . 100.00 2227 99.54 99.54 3.76e-141 . . . . 16837 1 31 no SP P13901 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Protein VP0; AltName: Full=VP4-VP2; Contains: RecName: Full=Protein V" . . . . . 100.00 2227 99.54 99.54 3.50e-141 . . . . 16837 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'viral protease' 16837 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 . SER . 16837 1 2 . THR . 16837 1 3 . LEU . 16837 1 4 . GLU . 16837 1 5 . ILE . 16837 1 6 . ALA . 16837 1 7 . GLY . 16837 1 8 . LEU . 16837 1 9 . VAL . 16837 1 10 . ARG . 16837 1 11 . LYS . 16837 1 12 . ASN . 16837 1 13 . LEU . 16837 1 14 . VAL . 16837 1 15 . GLN . 16837 1 16 . PHE . 16837 1 17 . GLY . 16837 1 18 . VAL . 16837 1 19 . GLY . 16837 1 20 . GLU . 16837 1 21 . LYS . 16837 1 22 . ASN . 16837 1 23 . GLY . 16837 1 24 . SER . 16837 1 25 . VAL . 16837 1 26 . ARG . 16837 1 27 . TRP . 16837 1 28 . VAL . 16837 1 29 . MET . 16837 1 30 . ASN . 16837 1 31 . ALA . 16837 1 32 . LEU . 16837 1 33 . GLY . 16837 1 34 . VAL . 16837 1 35 . LYS . 16837 1 36 . ASP . 16837 1 37 . ASP . 16837 1 38 . TRP . 16837 1 39 . LEU . 16837 1 40 . LEU . 16837 1 41 . VAL . 16837 1 42 . PRO . 16837 1 43 . SER . 16837 1 44 . HIS . 16837 1 45 . ALA . 16837 1 46 . TYR . 16837 1 47 . LYS . 16837 1 48 . PHE . 16837 1 49 . GLU . 16837 1 50 . LYS . 16837 1 51 . ASP . 16837 1 52 . TYR . 16837 1 53 . GLU . 16837 1 54 . MET . 16837 1 55 . MET . 16837 1 56 . GLU . 16837 1 57 . PHE . 16837 1 58 . TYR . 16837 1 59 . PHE . 16837 1 60 . ASN . 16837 1 61 . ARG . 16837 1 62 . GLY . 16837 1 63 . GLY . 16837 1 64 . THR . 16837 1 65 . TYR . 16837 1 66 . TYR . 16837 1 67 . SER . 16837 1 68 . ILE . 16837 1 69 . SER . 16837 1 70 . ALA . 16837 1 71 . GLY . 16837 1 72 . ASN . 16837 1 73 . VAL . 16837 1 74 . VAL . 16837 1 75 . ILE . 16837 1 76 . GLN . 16837 1 77 . SER . 16837 1 78 . LEU . 16837 1 79 . ASP . 16837 1 80 . VAL . 16837 1 81 . GLY . 16837 1 82 . PHE . 16837 1 83 . GLN . 16837 1 84 . ASP . 16837 1 85 . VAL . 16837 1 86 . VAL . 16837 1 87 . LEU . 16837 1 88 . MET . 16837 1 89 . LYS . 16837 1 90 . VAL . 16837 1 91 . PRO . 16837 1 92 . THR . 16837 1 93 . ILE . 16837 1 94 . PRO . 16837 1 95 . LYS . 16837 1 96 . PHE . 16837 1 97 . ARG . 16837 1 98 . ASP . 16837 1 99 . ILE . 16837 1 100 . THR . 16837 1 101 . GLN . 16837 1 102 . HIS . 16837 1 103 . PHE . 16837 1 104 . ILE . 16837 1 105 . LYS . 16837 1 106 . LYS . 16837 1 107 . GLY . 16837 1 108 . ASP . 16837 1 109 . VAL . 16837 1 110 . PRO . 16837 1 111 . ARG . 16837 1 112 . ALA . 16837 1 113 . LEU . 16837 1 114 . ASN . 16837 1 115 . ARG . 16837 1 116 . LEU . 16837 1 117 . ALA . 16837 1 118 . THR . 16837 1 119 . LEU . 16837 1 120 . VAL . 16837 1 121 . THR . 16837 1 122 . THR . 16837 1 123 . VAL . 16837 1 124 . ASN . 16837 1 125 . GLY . 16837 1 126 . THR . 16837 1 127 . PRO . 16837 1 128 . MET . 16837 1 129 . LEU . 16837 1 130 . ILE . 16837 1 131 . SER . 16837 1 132 . GLU . 16837 1 133 . GLY . 16837 1 134 . PRO . 16837 1 135 . LEU . 16837 1 136 . LYS . 16837 1 137 . MET . 16837 1 138 . GLU . 16837 1 139 . GLU . 16837 1 140 . LYS . 16837 1 141 . ALA . 16837 1 142 . THR . 16837 1 143 . TYR . 16837 1 144 . VAL . 16837 1 145 . HIS . 16837 1 146 . LYS . 16837 1 147 . LYS . 16837 1 148 . ASN . 16837 1 149 . ASP . 16837 1 150 . GLY . 16837 1 151 . THR . 16837 1 152 . THR . 16837 1 153 . VAL . 16837 1 154 . ASP . 16837 1 155 . LEU . 16837 1 156 . THR . 16837 1 157 . VAL . 16837 1 158 . ASP . 16837 1 159 . GLN . 16837 1 160 . ALA . 16837 1 161 . TRP . 16837 1 162 . ARG . 16837 1 163 . GLY . 16837 1 164 . LYS . 16837 1 165 . GLY . 16837 1 166 . GLU . 16837 1 167 . GLY . 16837 1 168 . LEU . 16837 1 169 . PRO . 16837 1 170 . GLY . 16837 1 171 . MET . 16837 1 172 . CYS . 16837 1 173 . GLY . 16837 1 174 . GLY . 16837 1 175 . ALA . 16837 1 176 . LEU . 16837 1 177 . VAL . 16837 1 178 . SER . 16837 1 179 . SER . 16837 1 180 . ASN . 16837 1 181 . GLN . 16837 1 182 . SER . 16837 1 183 . ILE . 16837 1 184 . GLN . 16837 1 185 . ASN . 16837 1 186 . ALA . 16837 1 187 . ILE . 16837 1 188 . LEU . 16837 1 189 . GLY . 16837 1 190 . ILE . 16837 1 191 . HIS . 16837 1 192 . VAL . 16837 1 193 . ALA . 16837 1 194 . GLY . 16837 1 195 . GLY . 16837 1 196 . ASN . 16837 1 197 . SER . 16837 1 198 . ILE . 16837 1 199 . LEU . 16837 1 200 . VAL . 16837 1 201 . ALA . 16837 1 202 . LYS . 16837 1 203 . LEU . 16837 1 204 . VAL . 16837 1 205 . THR . 16837 1 206 . GLN . 16837 1 207 . GLU . 16837 1 208 . MET . 16837 1 209 . PHE . 16837 1 210 . GLN . 16837 1 211 . ASN . 16837 1 212 . ILE . 16837 1 213 . ASP . 16837 1 214 . LYS . 16837 1 215 . LYS . 16837 1 216 . ILE . 16837 1 217 . GLU . 16837 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 . SER 1 1 16837 1 . THR 2 2 16837 1 . LEU 3 3 16837 1 . GLU 4 4 16837 1 . ILE 5 5 16837 1 . ALA 6 6 16837 1 . GLY 7 7 16837 1 . LEU 8 8 16837 1 . VAL 9 9 16837 1 . ARG 10 10 16837 1 . LYS 11 11 16837 1 . ASN 12 12 16837 1 . LEU 13 13 16837 1 . VAL 14 14 16837 1 . GLN 15 15 16837 1 . PHE 16 16 16837 1 . GLY 17 17 16837 1 . VAL 18 18 16837 1 . GLY 19 19 16837 1 . GLU 20 20 16837 1 . LYS 21 21 16837 1 . ASN 22 22 16837 1 . GLY 23 23 16837 1 . SER 24 24 16837 1 . VAL 25 25 16837 1 . ARG 26 26 16837 1 . TRP 27 27 16837 1 . VAL 28 28 16837 1 . MET 29 29 16837 1 . ASN 30 30 16837 1 . ALA 31 31 16837 1 . LEU 32 32 16837 1 . GLY 33 33 16837 1 . VAL 34 34 16837 1 . LYS 35 35 16837 1 . ASP 36 36 16837 1 . ASP 37 37 16837 1 . TRP 38 38 16837 1 . LEU 39 39 16837 1 . LEU 40 40 16837 1 . VAL 41 41 16837 1 . PRO 42 42 16837 1 . SER 43 43 16837 1 . HIS 44 44 16837 1 . ALA 45 45 16837 1 . TYR 46 46 16837 1 . LYS 47 47 16837 1 . PHE 48 48 16837 1 . GLU 49 49 16837 1 . LYS 50 50 16837 1 . ASP 51 51 16837 1 . TYR 52 52 16837 1 . GLU 53 53 16837 1 . MET 54 54 16837 1 . MET 55 55 16837 1 . GLU 56 56 16837 1 . PHE 57 57 16837 1 . TYR 58 58 16837 1 . PHE 59 59 16837 1 . ASN 60 60 16837 1 . ARG 61 61 16837 1 . GLY 62 62 16837 1 . GLY 63 63 16837 1 . THR 64 64 16837 1 . TYR 65 65 16837 1 . TYR 66 66 16837 1 . SER 67 67 16837 1 . ILE 68 68 16837 1 . SER 69 69 16837 1 . ALA 70 70 16837 1 . GLY 71 71 16837 1 . ASN 72 72 16837 1 . VAL 73 73 16837 1 . VAL 74 74 16837 1 . ILE 75 75 16837 1 . GLN 76 76 16837 1 . SER 77 77 16837 1 . LEU 78 78 16837 1 . ASP 79 79 16837 1 . VAL 80 80 16837 1 . GLY 81 81 16837 1 . PHE 82 82 16837 1 . GLN 83 83 16837 1 . ASP 84 84 16837 1 . VAL 85 85 16837 1 . VAL 86 86 16837 1 . LEU 87 87 16837 1 . MET 88 88 16837 1 . LYS 89 89 16837 1 . VAL 90 90 16837 1 . PRO 91 91 16837 1 . THR 92 92 16837 1 . ILE 93 93 16837 1 . PRO 94 94 16837 1 . LYS 95 95 16837 1 . PHE 96 96 16837 1 . ARG 97 97 16837 1 . ASP 98 98 16837 1 . ILE 99 99 16837 1 . THR 100 100 16837 1 . GLN 101 101 16837 1 . HIS 102 102 16837 1 . PHE 103 103 16837 1 . ILE 104 104 16837 1 . LYS 105 105 16837 1 . LYS 106 106 16837 1 . GLY 107 107 16837 1 . ASP 108 108 16837 1 . VAL 109 109 16837 1 . PRO 110 110 16837 1 . ARG 111 111 16837 1 . ALA 112 112 16837 1 . LEU 113 113 16837 1 . ASN 114 114 16837 1 . ARG 115 115 16837 1 . LEU 116 116 16837 1 . ALA 117 117 16837 1 . THR 118 118 16837 1 . LEU 119 119 16837 1 . VAL 120 120 16837 1 . THR 121 121 16837 1 . THR 122 122 16837 1 . VAL 123 123 16837 1 . ASN 124 124 16837 1 . GLY 125 125 16837 1 . THR 126 126 16837 1 . PRO 127 127 16837 1 . MET 128 128 16837 1 . LEU 129 129 16837 1 . ILE 130 130 16837 1 . SER 131 131 16837 1 . GLU 132 132 16837 1 . GLY 133 133 16837 1 . PRO 134 134 16837 1 . LEU 135 135 16837 1 . LYS 136 136 16837 1 . MET 137 137 16837 1 . GLU 138 138 16837 1 . GLU 139 139 16837 1 . LYS 140 140 16837 1 . ALA 141 141 16837 1 . THR 142 142 16837 1 . TYR 143 143 16837 1 . VAL 144 144 16837 1 . HIS 145 145 16837 1 . LYS 146 146 16837 1 . LYS 147 147 16837 1 . ASN 148 148 16837 1 . ASP 149 149 16837 1 . GLY 150 150 16837 1 . THR 151 151 16837 1 . THR 152 152 16837 1 . VAL 153 153 16837 1 . ASP 154 154 16837 1 . LEU 155 155 16837 1 . THR 156 156 16837 1 . VAL 157 157 16837 1 . ASP 158 158 16837 1 . GLN 159 159 16837 1 . ALA 160 160 16837 1 . TRP 161 161 16837 1 . ARG 162 162 16837 1 . GLY 163 163 16837 1 . LYS 164 164 16837 1 . GLY 165 165 16837 1 . GLU 166 166 16837 1 . GLY 167 167 16837 1 . LEU 168 168 16837 1 . PRO 169 169 16837 1 . GLY 170 170 16837 1 . MET 171 171 16837 1 . CYS 172 172 16837 1 . GLY 173 173 16837 1 . GLY 174 174 16837 1 . ALA 175 175 16837 1 . LEU 176 176 16837 1 . VAL 177 177 16837 1 . SER 178 178 16837 1 . SER 179 179 16837 1 . ASN 180 180 16837 1 . GLN 181 181 16837 1 . SER 182 182 16837 1 . ILE 183 183 16837 1 . GLN 184 184 16837 1 . ASN 185 185 16837 1 . ALA 186 186 16837 1 . ILE 187 187 16837 1 . LEU 188 188 16837 1 . GLY 189 189 16837 1 . ILE 190 190 16837 1 . HIS 191 191 16837 1 . VAL 192 192 16837 1 . ALA 193 193 16837 1 . GLY 194 194 16837 1 . GLY 195 195 16837 1 . ASN 196 196 16837 1 . SER 197 197 16837 1 . ILE 198 198 16837 1 . LEU 199 199 16837 1 . VAL 200 200 16837 1 . ALA 201 201 16837 1 . LYS 202 202 16837 1 . LEU 203 203 16837 1 . VAL 204 204 16837 1 . THR 205 205 16837 1 . GLN 206 206 16837 1 . GLU 207 207 16837 1 . MET 208 208 16837 1 . PHE 209 209 16837 1 . GLN 210 210 16837 1 . ASN 211 211 16837 1 . ILE 212 212 16837 1 . ASP 213 213 16837 1 . LYS 214 214 16837 1 . LYS 215 215 16837 1 . ILE 216 216 16837 1 . GLU 217 217 16837 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 16837 _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 $HAV_3C_protease_C24S . 12092 virus . 'Hepatitis A virus' 'Hepatitis A virus' . . Virus . Hepatovirus . . . . . . . . . . . . . . . . . . . . . . 16837 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 16837 _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 $HAV_3C_protease_C24S . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . ptac5SOD . . . . . . 16837 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16837 _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 'HAV 3C protease C24S' '[U-100% 13C; U-100% 15N; U-75% 2H]' . . 1 $HAV_3C_protease_C24S . . 0.2 . . mM . . . . 16837 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16837 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16837 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16837 _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' 200 . mM 16837 1 pH 7.4 . pH 16837 1 pressure 1 . atm 16837 1 temperature 303 . K 16837 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16837 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16837 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16837 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16837 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16837 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16837 2 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 16837 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 16837 _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 . 700 . . . 16837 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 16837 _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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16837 1 2 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16837 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16837 1 4 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16837 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 16837 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details "CA, CB, C' and N shifts corrected using CheckShift server" loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0.00 na direct 1.00 . . . . . . . . . 16837 1 H 1 water protons . . . . ppm 4.7 internal direct 1.00 . . . . . . . . . 16837 1 N 15 ammonia nitrogen . . . . ppm 0.00 na direct 1.00 . . . . . . . . . 16837 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 16837 _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 1 '3D HNCO' . . . 16837 1 2 '3D HN(CA)CO' . . . 16837 1 3 '3D HNCACB' . . . 16837 1 4 '3D HN(CO)CACB' . . . 16837 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR H H 1 8.0960 . . 1 . . . . 2 T H . 16837 1 2 . 1 1 2 2 THR CA C 13 66.71 . . 1 . . . . 2 T CA . 16837 1 3 . 1 1 2 2 THR CB C 13 68.62 . . 1 . . . . 2 T CB . 16837 1 4 . 1 1 2 2 THR N N 15 117.71 . . 1 . . . . 2 T N . 16837 1 5 . 1 1 3 3 LEU H H 1 7.9640 . . 1 . . . . 3 L H . 16837 1 6 . 1 1 3 3 LEU C C 13 179.89 . . 1 . . . . 3 L C . 16837 1 7 . 1 1 3 3 LEU CA C 13 57.86 . . 1 . . . . 3 L CA . 16837 1 8 . 1 1 3 3 LEU CB C 13 40.85 . . 1 . . . . 3 L CB . 16837 1 9 . 1 1 3 3 LEU N N 15 119.40 . . 1 . . . . 3 L N . 16837 1 10 . 1 1 4 4 GLU H H 1 7.6740 . . 1 . . . . 4 E H . 16837 1 11 . 1 1 4 4 GLU C C 13 179.62 . . 1 . . . . 4 E C . 16837 1 12 . 1 1 4 4 GLU CA C 13 59.41 . . 1 . . . . 4 E CA . 16837 1 13 . 1 1 4 4 GLU CB C 13 29.31 . . 1 . . . . 4 E CB . 16837 1 14 . 1 1 4 4 GLU N N 15 121.33 . . 1 . . . . 4 E N . 16837 1 15 . 1 1 5 5 ILE H H 1 7.4910 . . 1 . . . . 5 I H . 16837 1 16 . 1 1 5 5 ILE C C 13 178.66 . . 1 . . . . 5 I C . 16837 1 17 . 1 1 5 5 ILE CA C 13 62.00 . . 1 . . . . 5 I CA . 16837 1 18 . 1 1 5 5 ILE CB C 13 34.92 . . 1 . . . . 5 I CB . 16837 1 19 . 1 1 5 5 ILE N N 15 120.31 . . 1 . . . . 5 I N . 16837 1 20 . 1 1 6 6 ALA H H 1 8.8650 . . 1 . . . . 6 A H . 16837 1 21 . 1 1 6 6 ALA C C 13 179.74 . . 1 . . . . 6 A C . 16837 1 22 . 1 1 6 6 ALA CA C 13 55.76 . . 1 . . . . 6 A CA . 16837 1 23 . 1 1 6 6 ALA CB C 13 18.03 . . 1 . . . . 6 A CB . 16837 1 24 . 1 1 6 6 ALA N N 15 121.88 . . 1 . . . . 6 A N . 16837 1 25 . 1 1 7 7 GLY H H 1 7.6690 . . 1 . . . . 7 G H . 16837 1 26 . 1 1 7 7 GLY C C 13 176.32 . . 1 . . . . 7 G C . 16837 1 27 . 1 1 7 7 GLY CA C 13 47.38 . . 1 . . . . 7 G CA . 16837 1 28 . 1 1 7 7 GLY N N 15 104.16 . . 1 . . . . 7 G N . 16837 1 29 . 1 1 8 8 LEU H H 1 7.1850 . . 1 . . . . 8 L H . 16837 1 30 . 1 1 8 8 LEU C C 13 180.29 . . 1 . . . . 8 L C . 16837 1 31 . 1 1 8 8 LEU CA C 13 58.01 . . 1 . . . . 8 L CA . 16837 1 32 . 1 1 8 8 LEU CB C 13 41.19 . . 1 . . . . 8 L CB . 16837 1 33 . 1 1 8 8 LEU N N 15 122.14 . . 1 . . . . 8 L N . 16837 1 34 . 1 1 9 9 VAL H H 1 8.0910 . . 1 . . . . 9 V H . 16837 1 35 . 1 1 9 9 VAL C C 13 178.31 . . 1 . . . . 9 V C . 16837 1 36 . 1 1 9 9 VAL CA C 13 66.97 . . 1 . . . . 9 V CA . 16837 1 37 . 1 1 9 9 VAL CB C 13 31.35 . . 1 . . . . 9 V CB . 16837 1 38 . 1 1 9 9 VAL N N 15 118.44 . . 1 . . . . 9 V N . 16837 1 39 . 1 1 10 10 ARG H H 1 8.4150 . . 1 . . . . 10 R H . 16837 1 40 . 1 1 10 10 ARG C C 13 179.32 . . 1 . . . . 10 R C . 16837 1 41 . 1 1 10 10 ARG CA C 13 60.14 . . 1 . . . . 10 R CA . 16837 1 42 . 1 1 10 10 ARG CB C 13 28.99 . . 1 . . . . 10 R CB . 16837 1 43 . 1 1 10 10 ARG N N 15 116.89 . . 1 . . . . 10 R N . 16837 1 44 . 1 1 11 11 LYS H H 1 7.1550 . . 1 . . . . 11 K H . 16837 1 45 . 1 1 11 11 LYS C C 13 176.74 . . 1 . . . . 11 K C . 16837 1 46 . 1 1 11 11 LYS CA C 13 58.67 . . 1 . . . . 11 K CA . 16837 1 47 . 1 1 11 11 LYS CB C 13 31.75 . . 1 . . . . 11 K CB . 16837 1 48 . 1 1 11 11 LYS N N 15 115.76 . . 1 . . . . 11 K N . 16837 1 49 . 1 1 12 12 ASN H H 1 7.4470 . . 1 . . . . 12 N H . 16837 1 50 . 1 1 12 12 ASN C C 13 174.29 . . 1 . . . . 12 N C . 16837 1 51 . 1 1 12 12 ASN CA C 13 52.84 . . 1 . . . . 12 N CA . 16837 1 52 . 1 1 12 12 ASN CB C 13 38.77 . . 1 . . . . 12 N CB . 16837 1 53 . 1 1 12 12 ASN N N 15 118.78 . . 1 . . . . 12 N N . 16837 1 54 . 1 1 13 13 LEU H H 1 7.3880 . . 1 . . . . 13 L H . 16837 1 55 . 1 1 13 13 LEU C C 13 177.39 . . 1 . . . . 13 L C . 16837 1 56 . 1 1 13 13 LEU CA C 13 56.22 . . 1 . . . . 13 L CA . 16837 1 57 . 1 1 13 13 LEU CB C 13 43.09 . . 1 . . . . 13 L CB . 16837 1 58 . 1 1 13 13 LEU N N 15 125.22 . . 1 . . . . 13 L N . 16837 1 59 . 1 1 14 14 VAL H H 1 9.0320 . . 1 . . . . 14 V H . 16837 1 60 . 1 1 14 14 VAL C C 13 175.62 . . 1 . . . . 14 V C . 16837 1 61 . 1 1 14 14 VAL CA C 13 59.14 . . 1 . . . . 14 V CA . 16837 1 62 . 1 1 14 14 VAL CB C 13 34.69 . . 1 . . . . 14 V CB . 16837 1 63 . 1 1 14 14 VAL N N 15 117.39 . . 1 . . . . 14 V N . 16837 1 64 . 1 1 15 15 GLN H H 1 7.5960 . . 1 . . . . 15 Q H . 16837 1 65 . 1 1 15 15 GLN C C 13 174.56 . . 1 . . . . 15 Q C . 16837 1 66 . 1 1 15 15 GLN CA C 13 57.14 . . 1 . . . . 15 Q CA . 16837 1 67 . 1 1 15 15 GLN CB C 13 31.41 . . 1 . . . . 15 Q CB . 16837 1 68 . 1 1 15 15 GLN N N 15 117.98 . . 1 . . . . 15 Q N . 16837 1 69 . 1 1 16 16 PHE H H 1 9.0980 . . 1 . . . . 16 F H . 16837 1 70 . 1 1 16 16 PHE C C 13 174.31 . . 1 . . . . 16 F C . 16837 1 71 . 1 1 16 16 PHE CA C 13 57.17 . . 1 . . . . 16 F CA . 16837 1 72 . 1 1 16 16 PHE CB C 13 42.71 . . 1 . . . . 16 F CB . 16837 1 73 . 1 1 16 16 PHE N N 15 123.67 . . 1 . . . . 16 F N . 16837 1 74 . 1 1 17 17 GLY H H 1 8.5370 . . 1 . . . . 17 G H . 16837 1 75 . 1 1 17 17 GLY C C 13 169.75 . . 1 . . . . 17 G C . 16837 1 76 . 1 1 17 17 GLY CA C 13 44.56 . . 1 . . . . 17 G CA . 16837 1 77 . 1 1 17 17 GLY N N 15 119.29 . . 1 . . . . 17 G N . 16837 1 78 . 1 1 18 18 VAL H H 1 7.9580 . . 1 . . . . 18 V H . 16837 1 79 . 1 1 18 18 VAL C C 13 175.52 . . 1 . . . . 18 V C . 16837 1 80 . 1 1 18 18 VAL CA C 13 59.32 . . 1 . . . . 18 V CA . 16837 1 81 . 1 1 18 18 VAL CB C 13 35.37 . . 1 . . . . 18 V CB . 16837 1 82 . 1 1 18 18 VAL N N 15 112.25 . . 1 . . . . 18 V N . 16837 1 83 . 1 1 19 19 GLY H H 1 8.7450 . . 1 . . . . 19 G H . 16837 1 84 . 1 1 19 19 GLY C C 13 172.56 . . 1 . . . . 19 G C . 16837 1 85 . 1 1 19 19 GLY CA C 13 46.15 . . 1 . . . . 19 G CA . 16837 1 86 . 1 1 19 19 GLY N N 15 109.96 . . 1 . . . . 19 G N . 16837 1 87 . 1 1 20 20 GLU H H 1 8.2980 . . 1 . . . . 20 E H . 16837 1 88 . 1 1 20 20 GLU C C 13 178.18 . . 1 . . . . 20 E C . 16837 1 89 . 1 1 20 20 GLU CA C 13 55.49 . . 1 . . . . 20 E CA . 16837 1 90 . 1 1 20 20 GLU CB C 13 31.46 . . 1 . . . . 20 E CB . 16837 1 91 . 1 1 20 20 GLU N N 15 120.53 . . 1 . . . . 20 E N . 16837 1 92 . 1 1 22 22 ASN C C 13 175.34 . . 1 . . . . 22 N C . 16837 1 93 . 1 1 22 22 ASN CA C 13 54.57 . . 1 . . . . 22 N CA . 16837 1 94 . 1 1 22 22 ASN CB C 13 37.53 . . 1 . . . . 22 N CB . 16837 1 95 . 1 1 23 23 GLY H H 1 7.7620 . . 1 . . . . 23 G H . 16837 1 96 . 1 1 23 23 GLY C C 13 174.01 . . 1 . . . . 23 G C . 16837 1 97 . 1 1 23 23 GLY CA C 13 44.93 . . 1 . . . . 23 G CA . 16837 1 98 . 1 1 23 23 GLY N N 15 107.44 . . 1 . . . . 23 G N . 16837 1 99 . 1 1 24 24 SER H H 1 7.8810 . . 1 . . . . 24 S H . 16837 1 100 . 1 1 24 24 SER C C 13 173.23 . . 1 . . . . 24 S C . 16837 1 101 . 1 1 24 24 SER CA C 13 58.19 . . 1 . . . . 24 S CA . 16837 1 102 . 1 1 24 24 SER CB C 13 64.04 . . 1 . . . . 24 S CB . 16837 1 103 . 1 1 24 24 SER N N 15 116.04 . . 1 . . . . 24 S N . 16837 1 104 . 1 1 25 25 VAL H H 1 7.7710 . . 1 . . . . 25 V H . 16837 1 105 . 1 1 25 25 VAL C C 13 174.64 . . 1 . . . . 25 V C . 16837 1 106 . 1 1 25 25 VAL CA C 13 61.83 . . 1 . . . . 25 V CA . 16837 1 107 . 1 1 25 25 VAL CB C 13 32.32 . . 1 . . . . 25 V CB . 16837 1 108 . 1 1 25 25 VAL N N 15 122.09 . . 1 . . . . 25 V N . 16837 1 109 . 1 1 26 26 ARG H H 1 8.0880 . . 1 . . . . 26 R H . 16837 1 110 . 1 1 26 26 ARG C C 13 174.60 . . 1 . . . . 26 R C . 16837 1 111 . 1 1 26 26 ARG CA C 13 54.54 . . 1 . . . . 26 R CA . 16837 1 112 . 1 1 26 26 ARG CB C 13 30.60 . . 1 . . . . 26 R CB . 16837 1 113 . 1 1 26 26 ARG N N 15 127.86 . . 1 . . . . 26 R N . 16837 1 114 . 1 1 27 27 TRP H H 1 8.3830 . . 1 . . . . 27 W H . 16837 1 115 . 1 1 27 27 TRP C C 13 177.24 . . 1 . . . . 27 W C . 16837 1 116 . 1 1 27 27 TRP CA C 13 57.78 . . 1 . . . . 27 W CA . 16837 1 117 . 1 1 27 27 TRP CB C 13 28.25 . . 1 . . . . 27 W CB . 16837 1 118 . 1 1 27 27 TRP N N 15 128.09 . . 1 . . . . 27 W N . 16837 1 119 . 1 1 29 29 MET C C 13 173.63 . . 1 . . . . 29 M C . 16837 1 120 . 1 1 29 29 MET CA C 13 56.80 . . 1 . . . . 29 M CA . 16837 1 121 . 1 1 29 29 MET CB C 13 29.60 . . 1 . . . . 29 M CB . 16837 1 122 . 1 1 30 30 ASN H H 1 8.3550 . . 1 . . . . 30 N H . 16837 1 123 . 1 1 30 30 ASN C C 13 171.93 . . 1 . . . . 30 N C . 16837 1 124 . 1 1 30 30 ASN CA C 13 53.47 . . 1 . . . . 30 N CA . 16837 1 125 . 1 1 30 30 ASN CB C 13 42.26 . . 1 . . . . 30 N CB . 16837 1 126 . 1 1 30 30 ASN N N 15 119.11 . . 1 . . . . 30 N N . 16837 1 127 . 1 1 31 31 ALA H H 1 8.9520 . . 1 . . . . 31 A H . 16837 1 128 . 1 1 31 31 ALA C C 13 174.56 . . 1 . . . . 31 A C . 16837 1 129 . 1 1 31 31 ALA CA C 13 51.61 . . 1 . . . . 31 A CA . 16837 1 130 . 1 1 31 31 ALA CB C 13 23.05 . . 1 . . . . 31 A CB . 16837 1 131 . 1 1 31 31 ALA N N 15 117.14 . . 1 . . . . 31 A N . 16837 1 132 . 1 1 32 32 LEU H H 1 8.2580 . . 1 . . . . 32 L H . 16837 1 133 . 1 1 32 32 LEU C C 13 176.24 . . 1 . . . . 32 L C . 16837 1 134 . 1 1 32 32 LEU CA C 13 53.10 . . 1 . . . . 32 L CA . 16837 1 135 . 1 1 32 32 LEU CB C 13 45.28 . . 1 . . . . 32 L CB . 16837 1 136 . 1 1 32 32 LEU N N 15 119.99 . . 1 . . . . 32 L N . 16837 1 137 . 1 1 33 33 GLY H H 1 8.7740 . . 1 . . . . 33 G H . 16837 1 138 . 1 1 33 33 GLY C C 13 174.04 . . 1 . . . . 33 G C . 16837 1 139 . 1 1 33 33 GLY CA C 13 44.73 . . 1 . . . . 33 G CA . 16837 1 140 . 1 1 33 33 GLY N N 15 116.75 . . 1 . . . . 33 G N . 16837 1 141 . 1 1 34 34 VAL H H 1 8.5990 . . 1 . . . . 34 V H . 16837 1 142 . 1 1 34 34 VAL C C 13 174.20 . . 1 . . . . 34 V C . 16837 1 143 . 1 1 34 34 VAL CA C 13 61.74 . . 1 . . . . 34 V CA . 16837 1 144 . 1 1 34 34 VAL CB C 13 32.52 . . 1 . . . . 34 V CB . 16837 1 145 . 1 1 34 34 VAL N N 15 117.18 . . 1 . . . . 34 V N . 16837 1 146 . 1 1 35 35 LYS H H 1 6.6060 . . 1 . . . . 35 K H . 16837 1 147 . 1 1 35 35 LYS C C 13 174.21 . . 1 . . . . 35 K C . 16837 1 148 . 1 1 35 35 LYS CA C 13 57.62 . . 1 . . . . 35 K CA . 16837 1 149 . 1 1 35 35 LYS CB C 13 32.89 . . 1 . . . . 35 K CB . 16837 1 150 . 1 1 35 35 LYS N N 15 113.44 . . 1 . . . . 35 K N . 16837 1 151 . 1 1 36 36 ASP H H 1 8.9230 . . 1 . . . . 36 D H . 16837 1 152 . 1 1 36 36 ASP C C 13 173.11 . . 1 . . . . 36 D C . 16837 1 153 . 1 1 36 36 ASP CA C 13 57.53 . . 1 . . . . 36 D CA . 16837 1 154 . 1 1 36 36 ASP CB C 13 39.25 . . 1 . . . . 36 D CB . 16837 1 155 . 1 1 36 36 ASP N N 15 123.11 . . 1 . . . . 36 D N . 16837 1 156 . 1 1 37 37 ASP H H 1 8.8000 . . 1 . . . . 37 D H . 16837 1 157 . 1 1 37 37 ASP C C 13 174.00 . . 1 . . . . 37 D C . 16837 1 158 . 1 1 37 37 ASP CA C 13 52.06 . . 1 . . . . 37 D CA . 16837 1 159 . 1 1 37 37 ASP CB C 13 38.23 . . 1 . . . . 37 D CB . 16837 1 160 . 1 1 37 37 ASP N N 15 122.06 . . 1 . . . . 37 D N . 16837 1 161 . 1 1 38 38 TRP H H 1 8.6340 . . 1 . . . . 38 W H . 16837 1 162 . 1 1 38 38 TRP C C 13 177.00 . . 1 . . . . 38 W C . 16837 1 163 . 1 1 38 38 TRP CA C 13 57.45 . . 1 . . . . 38 W CA . 16837 1 164 . 1 1 38 38 TRP CB C 13 31.13 . . 1 . . . . 38 W CB . 16837 1 165 . 1 1 38 38 TRP N N 15 117.17 . . 1 . . . . 38 W N . 16837 1 166 . 1 1 39 39 LEU H H 1 9.4360 . . 1 . . . . 39 L H . 16837 1 167 . 1 1 39 39 LEU C C 13 176.17 . . 1 . . . . 39 L C . 16837 1 168 . 1 1 39 39 LEU CA C 13 54.54 . . 1 . . . . 39 L CA . 16837 1 169 . 1 1 39 39 LEU CB C 13 45.52 . . 1 . . . . 39 L CB . 16837 1 170 . 1 1 39 39 LEU N N 15 119.64 . . 1 . . . . 39 L N . 16837 1 171 . 1 1 40 40 LEU H H 1 8.9070 . . 1 . . . . 40 L H . 16837 1 172 . 1 1 40 40 LEU CA C 13 53.78 . . 1 . . . . 40 L CA . 16837 1 173 . 1 1 40 40 LEU CB C 13 43.89 . . 1 . . . . 40 L CB . 16837 1 174 . 1 1 40 40 LEU N N 15 119.51 . . 1 . . . . 40 L N . 16837 1 175 . 1 1 49 49 GLU C C 13 177.03 . . 1 . . . . 49 E C . 16837 1 176 . 1 1 49 49 GLU CA C 13 55.17 . . 1 . . . . 49 E CA . 16837 1 177 . 1 1 49 49 GLU CB C 13 29.24 . . 1 . . . . 49 E CB . 16837 1 178 . 1 1 50 50 LYS H H 1 8.6220 . . 1 . . . . 50 K H . 16837 1 179 . 1 1 50 50 LYS C C 13 176.92 . . 1 . . . . 50 K C . 16837 1 180 . 1 1 50 50 LYS CA C 13 57.82 . . 1 . . . . 50 K CA . 16837 1 181 . 1 1 50 50 LYS CB C 13 31.92 . . 1 . . . . 50 K CB . 16837 1 182 . 1 1 50 50 LYS N N 15 125.51 . . 1 . . . . 50 K N . 16837 1 183 . 1 1 51 51 ASP H H 1 8.7410 . . 1 . . . . 51 D H . 16837 1 184 . 1 1 51 51 ASP C C 13 177.99 . . 1 . . . . 51 D C . 16837 1 185 . 1 1 51 51 ASP CA C 13 55.54 . . 1 . . . . 51 D CA . 16837 1 186 . 1 1 51 51 ASP CB C 13 39.47 . . 1 . . . . 51 D CB . 16837 1 187 . 1 1 51 51 ASP N N 15 120.26 . . 1 . . . . 51 D N . 16837 1 188 . 1 1 52 52 TYR H H 1 7.3850 . . 1 . . . . 52 Y H . 16837 1 189 . 1 1 52 52 TYR C C 13 176.97 . . 1 . . . . 52 Y C . 16837 1 190 . 1 1 52 52 TYR CA C 13 60.75 . . 1 . . . . 52 Y CA . 16837 1 191 . 1 1 52 52 TYR CB C 13 37.56 . . 1 . . . . 52 Y CB . 16837 1 192 . 1 1 52 52 TYR N N 15 117.53 . . 1 . . . . 52 Y N . 16837 1 193 . 1 1 53 53 GLU H H 1 8.4240 . . 1 . . . . 53 E H . 16837 1 194 . 1 1 53 53 GLU C C 13 177.34 . . 1 . . . . 53 E C . 16837 1 195 . 1 1 53 53 GLU CA C 13 59.17 . . 1 . . . . 53 E CA . 16837 1 196 . 1 1 53 53 GLU CB C 13 28.32 . . 1 . . . . 53 E CB . 16837 1 197 . 1 1 53 53 GLU N N 15 119.08 . . 1 . . . . 53 E N . 16837 1 198 . 1 1 55 55 MET H H 1 7.6040 . . 1 . . . . 55 M H . 16837 1 199 . 1 1 55 55 MET C C 13 174.35 . . 1 . . . . 55 M C . 16837 1 200 . 1 1 55 55 MET CA C 13 56.39 . . 1 . . . . 55 M CA . 16837 1 201 . 1 1 55 55 MET CB C 13 33.94 . . 1 . . . . 55 M CB . 16837 1 202 . 1 1 55 55 MET N N 15 120.40 . . 1 . . . . 55 M N . 16837 1 203 . 1 1 56 56 GLU H H 1 8.5430 . . 1 . . . . 56 E H . 16837 1 204 . 1 1 56 56 GLU C C 13 175.11 . . 1 . . . . 56 E C . 16837 1 205 . 1 1 56 56 GLU CA C 13 55.13 . . 1 . . . . 56 E CA . 16837 1 206 . 1 1 56 56 GLU CB C 13 31.59 . . 1 . . . . 56 E CB . 16837 1 207 . 1 1 56 56 GLU N N 15 120.53 . . 1 . . . . 56 E N . 16837 1 208 . 1 1 57 57 PHE H H 1 8.7100 . . 1 . . . . 57 F H . 16837 1 209 . 1 1 57 57 PHE C C 13 174.25 . . 1 . . . . 57 F C . 16837 1 210 . 1 1 57 57 PHE CA C 13 52.65 . . 1 . . . . 57 F CA . 16837 1 211 . 1 1 57 57 PHE CB C 13 39.33 . . 1 . . . . 57 F CB . 16837 1 212 . 1 1 57 57 PHE N N 15 121.98 . . 1 . . . . 57 F N . 16837 1 213 . 1 1 58 58 TYR H H 1 7.9900 . . 1 . . . . 58 Y H . 16837 1 214 . 1 1 58 58 TYR C C 13 174.06 . . 1 . . . . 58 Y C . 16837 1 215 . 1 1 58 58 TYR CA C 13 56.73 . . 1 . . . . 58 Y CA . 16837 1 216 . 1 1 58 58 TYR CB C 13 43.23 . . 1 . . . . 58 Y CB . 16837 1 217 . 1 1 58 58 TYR N N 15 118.72 . . 1 . . . . 58 Y N . 16837 1 218 . 1 1 59 59 PHE H H 1 9.1350 . . 1 . . . . 59 F H . 16837 1 219 . 1 1 59 59 PHE C C 13 175.88 . . 1 . . . . 59 F C . 16837 1 220 . 1 1 59 59 PHE CA C 13 55.90 . . 1 . . . . 59 F CA . 16837 1 221 . 1 1 59 59 PHE CB C 13 42.48 . . 1 . . . . 59 F CB . 16837 1 222 . 1 1 59 59 PHE N N 15 115.60 . . 1 . . . . 59 F N . 16837 1 223 . 1 1 60 60 ASN H H 1 8.8900 . . 1 . . . . 60 N H . 16837 1 224 . 1 1 60 60 ASN C C 13 175.74 . . 1 . . . . 60 N C . 16837 1 225 . 1 1 60 60 ASN CA C 13 52.30 . . 1 . . . . 60 N CA . 16837 1 226 . 1 1 60 60 ASN CB C 13 38.94 . . 1 . . . . 60 N CB . 16837 1 227 . 1 1 60 60 ASN N N 15 121.06 . . 1 . . . . 60 N N . 16837 1 228 . 1 1 61 61 ARG H H 1 8.8770 . . 1 . . . . 61 R H . 16837 1 229 . 1 1 61 61 ARG C C 13 176.59 . . 1 . . . . 61 R C . 16837 1 230 . 1 1 61 61 ARG CA C 13 54.76 . . 1 . . . . 61 R CA . 16837 1 231 . 1 1 61 61 ARG CB C 13 31.49 . . 1 . . . . 61 R CB . 16837 1 232 . 1 1 61 61 ARG N N 15 127.32 . . 1 . . . . 61 R N . 16837 1 233 . 1 1 62 62 GLY C C 13 175.14 . . 1 . . . . 62 G C . 16837 1 234 . 1 1 62 62 GLY CA C 13 47.52 . . 1 . . . . 62 G CA . 16837 1 235 . 1 1 63 63 GLY H H 1 8.2320 . . 1 . . . . 63 G H . 16837 1 236 . 1 1 63 63 GLY C C 13 174.05 . . 1 . . . . 63 G C . 16837 1 237 . 1 1 63 63 GLY CA C 13 45.40 . . 1 . . . . 63 G CA . 16837 1 238 . 1 1 63 63 GLY N N 15 107.78 . . 1 . . . . 63 G N . 16837 1 239 . 1 1 64 64 THR H H 1 7.2520 . . 1 . . . . 64 T H . 16837 1 240 . 1 1 64 64 THR C C 13 172.09 . . 1 . . . . 64 T C . 16837 1 241 . 1 1 64 64 THR CA C 13 62.17 . . 1 . . . . 64 T CA . 16837 1 242 . 1 1 64 64 THR CB C 13 70.24 . . 1 . . . . 64 T CB . 16837 1 243 . 1 1 64 64 THR N N 15 117.58 . . 1 . . . . 64 T N . 16837 1 244 . 1 1 65 65 TYR H H 1 8.2030 . . 1 . . . . 65 Y H . 16837 1 245 . 1 1 65 65 TYR C C 13 175.49 . . 1 . . . . 65 Y C . 16837 1 246 . 1 1 65 65 TYR CA C 13 54.68 . . 1 . . . . 65 Y CA . 16837 1 247 . 1 1 65 65 TYR CB C 13 37.77 . . 1 . . . . 65 Y CB . 16837 1 248 . 1 1 65 65 TYR N N 15 124.14 . . 1 . . . . 65 Y N . 16837 1 249 . 1 1 66 66 TYR H H 1 9.2450 . . 1 . . . . 66 Y H . 16837 1 250 . 1 1 66 66 TYR CA C 13 57.86 . . 1 . . . . 66 Y CA . 16837 1 251 . 1 1 66 66 TYR CB C 13 41.10 . . 1 . . . . 66 Y CB . 16837 1 252 . 1 1 66 66 TYR N N 15 122.81 . . 1 . . . . 66 Y N . 16837 1 253 . 1 1 67 67 SER H H 1 8.6340 . . 1 . . . . 67 S H . 16837 1 254 . 1 1 67 67 SER C C 13 173.69 . . 1 . . . . 67 S C . 16837 1 255 . 1 1 67 67 SER CA C 13 56.95 . . 1 . . . . 67 S CA . 16837 1 256 . 1 1 67 67 SER CB C 13 67.05 . . 1 . . . . 67 S CB . 16837 1 257 . 1 1 67 67 SER N N 15 116.44 . . 1 . . . . 67 S N . 16837 1 258 . 1 1 68 68 ILE H H 1 8.7420 . . 1 . . . . 68 I H . 16837 1 259 . 1 1 68 68 ILE C C 13 172.37 . . 1 . . . . 68 I C . 16837 1 260 . 1 1 68 68 ILE CA C 13 60.20 . . 1 . . . . 68 I CA . 16837 1 261 . 1 1 68 68 ILE CB C 13 41.39 . . 1 . . . . 68 I CB . 16837 1 262 . 1 1 68 68 ILE N N 15 120.85 . . 1 . . . . 68 I N . 16837 1 263 . 1 1 69 69 SER H H 1 8.1710 . . 1 . . . . 69 S H . 16837 1 264 . 1 1 69 69 SER C C 13 176.48 . . 1 . . . . 69 S C . 16837 1 265 . 1 1 69 69 SER CA C 13 59.24 . . 1 . . . . 69 S CA . 16837 1 266 . 1 1 69 69 SER CB C 13 63.01 . . 1 . . . . 69 S CB . 16837 1 267 . 1 1 69 69 SER N N 15 121.20 . . 1 . . . . 69 S N . 16837 1 268 . 1 1 70 70 ALA H H 1 8.2020 . . 1 . . . . 70 A H . 16837 1 269 . 1 1 70 70 ALA C C 13 179.26 . . 1 . . . . 70 A C . 16837 1 270 . 1 1 70 70 ALA CA C 13 55.49 . . 1 . . . . 70 A CA . 16837 1 271 . 1 1 70 70 ALA CB C 13 18.62 . . 1 . . . . 70 A CB . 16837 1 272 . 1 1 70 70 ALA N N 15 129.02 . . 1 . . . . 70 A N . 16837 1 273 . 1 1 71 71 GLY H H 1 7.8450 . . 1 . . . . 71 G H . 16837 1 274 . 1 1 71 71 GLY C C 13 174.73 . . 1 . . . . 71 G C . 16837 1 275 . 1 1 71 71 GLY CA C 13 46.12 . . 1 . . . . 71 G CA . 16837 1 276 . 1 1 71 71 GLY N N 15 101.65 . . 1 . . . . 71 G N . 16837 1 277 . 1 1 72 72 ASN H H 1 7.7380 . . 1 . . . . 72 N H . 16837 1 278 . 1 1 72 72 ASN C C 13 175.13 . . 1 . . . . 72 N C . 16837 1 279 . 1 1 72 72 ASN CA C 13 53.09 . . 1 . . . . 72 N CA . 16837 1 280 . 1 1 72 72 ASN CB C 13 39.74 . . 1 . . . . 72 N CB . 16837 1 281 . 1 1 72 72 ASN N N 15 116.45 . . 1 . . . . 72 N N . 16837 1 282 . 1 1 73 73 VAL H H 1 6.8480 . . 1 . . . . 73 V H . 16837 1 283 . 1 1 73 73 VAL C C 13 175.32 . . 1 . . . . 73 V C . 16837 1 284 . 1 1 73 73 VAL CA C 13 61.26 . . 1 . . . . 73 V CA . 16837 1 285 . 1 1 73 73 VAL CB C 13 32.73 . . 1 . . . . 73 V CB . 16837 1 286 . 1 1 73 73 VAL N N 15 114.93 . . 1 . . . . 73 V N . 16837 1 287 . 1 1 74 74 VAL H H 1 7.7420 . . 1 . . . . 74 V H . 16837 1 288 . 1 1 74 74 VAL C C 13 174.54 . . 1 . . . . 74 V C . 16837 1 289 . 1 1 74 74 VAL CA C 13 62.88 . . 1 . . . . 74 V CA . 16837 1 290 . 1 1 74 74 VAL CB C 13 32.74 . . 1 . . . . 74 V CB . 16837 1 291 . 1 1 74 74 VAL N N 15 125.07 . . 1 . . . . 74 V N . 16837 1 292 . 1 1 75 75 ILE H H 1 8.3150 . . 1 . . . . 75 I H . 16837 1 293 . 1 1 75 75 ILE C C 13 176.58 . . 1 . . . . 75 I C . 16837 1 294 . 1 1 75 75 ILE CA C 13 59.96 . . 1 . . . . 75 I CA . 16837 1 295 . 1 1 75 75 ILE CB C 13 39.50 . . 1 . . . . 75 I CB . 16837 1 296 . 1 1 75 75 ILE N N 15 126.57 . . 1 . . . . 75 I N . 16837 1 297 . 1 1 76 76 GLN H H 1 9.6870 . . 1 . . . . 76 Q H . 16837 1 298 . 1 1 76 76 GLN C C 13 174.51 . . 1 . . . . 76 Q C . 16837 1 299 . 1 1 76 76 GLN CA C 13 54.22 . . 1 . . . . 76 Q CA . 16837 1 300 . 1 1 76 76 GLN CB C 13 32.21 . . 1 . . . . 76 Q CB . 16837 1 301 . 1 1 76 76 GLN N N 15 127.85 . . 1 . . . . 76 Q N . 16837 1 302 . 1 1 77 77 SER H H 1 8.4790 . . 1 . . . . 77 S H . 16837 1 303 . 1 1 77 77 SER C C 13 175.36 . . 1 . . . . 77 S C . 16837 1 304 . 1 1 77 77 SER CA C 13 58.56 . . 1 . . . . 77 S CA . 16837 1 305 . 1 1 77 77 SER CB C 13 64.18 . . 1 . . . . 77 S CB . 16837 1 306 . 1 1 77 77 SER N N 15 119.10 . . 1 . . . . 77 S N . 16837 1 307 . 1 1 79 79 ASP C C 13 176.57 . . 1 . . . . 79 D C . 16837 1 308 . 1 1 79 79 ASP CA C 13 55.81 . . 1 . . . . 79 D CA . 16837 1 309 . 1 1 79 79 ASP CB C 13 31.18 . . 1 . . . . 79 D CB . 16837 1 310 . 1 1 80 80 VAL H H 1 9.0120 . . 1 . . . . 80 V H . 16837 1 311 . 1 1 80 80 VAL C C 13 175.83 . . 1 . . . . 80 V C . 16837 1 312 . 1 1 80 80 VAL CA C 13 54.86 . . 1 . . . . 80 V CA . 16837 1 313 . 1 1 80 80 VAL CB C 13 33.65 . . 1 . . . . 80 V CB . 16837 1 314 . 1 1 80 80 VAL N N 15 120.69 . . 1 . . . . 80 V N . 16837 1 315 . 1 1 81 81 GLY H H 1 8.5040 . . 1 . . . . 81 G H . 16837 1 316 . 1 1 81 81 GLY C C 13 171.51 . . 1 . . . . 81 G C . 16837 1 317 . 1 1 81 81 GLY CA C 13 44.30 . . 1 . . . . 81 G CA . 16837 1 318 . 1 1 81 81 GLY N N 15 109.69 . . 1 . . . . 81 G N . 16837 1 319 . 1 1 87 87 LEU C C 13 175.74 . . 1 . . . . 87 L C . 16837 1 320 . 1 1 87 87 LEU CA C 13 54.24 . . 1 . . . . 87 L CA . 16837 1 321 . 1 1 87 87 LEU CB C 13 43.65 . . 1 . . . . 87 L CB . 16837 1 322 . 1 1 88 88 MET H H 1 9.7960 . . 1 . . . . 88 M H . 16837 1 323 . 1 1 88 88 MET C C 13 173.43 . . 1 . . . . 88 M C . 16837 1 324 . 1 1 88 88 MET CA C 13 54.47 . . 1 . . . . 88 M CA . 16837 1 325 . 1 1 88 88 MET CB C 13 37.15 . . 1 . . . . 88 M CB . 16837 1 326 . 1 1 88 88 MET N N 15 123.47 . . 1 . . . . 88 M N . 16837 1 327 . 1 1 89 89 LYS H H 1 8.6500 . . 1 . . . . 89 K H . 16837 1 328 . 1 1 89 89 LYS C C 13 176.55 . . 1 . . . . 89 K C . 16837 1 329 . 1 1 89 89 LYS CA C 13 54.98 . . 1 . . . . 89 K CA . 16837 1 330 . 1 1 89 89 LYS CB C 13 33.29 . . 1 . . . . 89 K CB . 16837 1 331 . 1 1 89 89 LYS N N 15 130.62 . . 1 . . . . 89 K N . 16837 1 332 . 1 1 90 90 VAL H H 1 8.4840 . . 1 . . . . 90 V H . 16837 1 333 . 1 1 90 90 VAL C C 13 173.94 . . 1 . . . . 90 V C . 16837 1 334 . 1 1 90 90 VAL CA C 13 59.36 . . 1 . . . . 90 V CA . 16837 1 335 . 1 1 90 90 VAL CB C 13 31.73 . . 1 . . . . 90 V CB . 16837 1 336 . 1 1 90 90 VAL N N 15 126.47 . . 1 . . . . 90 V N . 16837 1 337 . 1 1 94 94 PRO C C 13 176.89 . . 1 . . . . 94 P C . 16837 1 338 . 1 1 94 94 PRO CA C 13 63.23 . . 1 . . . . 94 P CA . 16837 1 339 . 1 1 94 94 PRO CB C 13 30.97 . . 1 . . . . 94 P CB . 16837 1 340 . 1 1 95 95 LYS H H 1 7.6050 . . 1 . . . . 95 K H . 16837 1 341 . 1 1 95 95 LYS C C 13 178.39 . . 1 . . . . 95 K C . 16837 1 342 . 1 1 95 95 LYS CA C 13 57.51 . . 1 . . . . 95 K CA . 16837 1 343 . 1 1 95 95 LYS CB C 13 33.26 . . 1 . . . . 95 K CB . 16837 1 344 . 1 1 95 95 LYS N N 15 120.36 . . 1 . . . . 95 K N . 16837 1 345 . 1 1 96 96 PHE H H 1 9.4700 . . 1 . . . . 96 F H . 16837 1 346 . 1 1 96 96 PHE C C 13 176.95 . . 1 . . . . 96 F C . 16837 1 347 . 1 1 96 96 PHE CA C 13 58.13 . . 1 . . . . 96 F CA . 16837 1 348 . 1 1 96 96 PHE CB C 13 40.18 . . 1 . . . . 96 F CB . 16837 1 349 . 1 1 96 96 PHE N N 15 121.94 . . 1 . . . . 96 F N . 16837 1 350 . 1 1 97 97 ARG H H 1 8.5390 . . 1 . . . . 97 R H . 16837 1 351 . 1 1 97 97 ARG C C 13 175.82 . . 1 . . . . 97 R C . 16837 1 352 . 1 1 97 97 ARG CA C 13 56.74 . . 1 . . . . 97 R CA . 16837 1 353 . 1 1 97 97 ARG CB C 13 30.17 . . 1 . . . . 97 R CB . 16837 1 354 . 1 1 97 97 ARG N N 15 124.17 . . 1 . . . . 97 R N . 16837 1 355 . 1 1 98 98 ASP H H 1 8.3930 . . 1 . . . . 98 D H . 16837 1 356 . 1 1 98 98 ASP C C 13 178.47 . . 1 . . . . 98 D C . 16837 1 357 . 1 1 98 98 ASP CA C 13 54.10 . . 1 . . . . 98 D CA . 16837 1 358 . 1 1 98 98 ASP CB C 13 39.77 . . 1 . . . . 98 D CB . 16837 1 359 . 1 1 98 98 ASP N N 15 123.57 . . 1 . . . . 98 D N . 16837 1 360 . 1 1 99 99 ILE H H 1 8.8120 . . 1 . . . . 99 I H . 16837 1 361 . 1 1 99 99 ILE C C 13 178.06 . . 1 . . . . 99 I C . 16837 1 362 . 1 1 99 99 ILE CA C 13 61.47 . . 1 . . . . 99 I CA . 16837 1 363 . 1 1 99 99 ILE CB C 13 38.45 . . 1 . . . . 99 I CB . 16837 1 364 . 1 1 99 99 ILE N N 15 122.10 . . 1 . . . . 99 I N . 16837 1 365 . 1 1 100 100 THR H H 1 8.8140 . . 1 . . . . 100 T H . 16837 1 366 . 1 1 100 100 THR C C 13 177.19 . . 1 . . . . 100 T C . 16837 1 367 . 1 1 100 100 THR CA C 13 65.99 . . 1 . . . . 100 T CA . 16837 1 368 . 1 1 100 100 THR CB C 13 69.34 . . 1 . . . . 100 T CB . 16837 1 369 . 1 1 100 100 THR N N 15 116.84 . . 1 . . . . 100 T N . 16837 1 370 . 1 1 101 101 GLN H H 1 8.2440 . . 1 . . . . 101 Q H . 16837 1 371 . 1 1 101 101 GLN C C 13 176.32 . . 1 . . . . 101 Q C . 16837 1 372 . 1 1 101 101 GLN CA C 13 56.87 . . 1 . . . . 101 Q CA . 16837 1 373 . 1 1 101 101 GLN CB C 13 27.05 . . 1 . . . . 101 Q CB . 16837 1 374 . 1 1 101 101 GLN N N 15 115.95 . . 1 . . . . 101 Q N . 16837 1 375 . 1 1 102 102 HIS H H 1 7.8730 . . 1 . . . . 102 H H . 16837 1 376 . 1 1 102 102 HIS C C 13 175.63 . . 1 . . . . 102 H C . 16837 1 377 . 1 1 102 102 HIS CA C 13 56.79 . . 1 . . . . 102 H CA . 16837 1 378 . 1 1 102 102 HIS CB C 13 29.17 . . 1 . . . . 102 H CB . 16837 1 379 . 1 1 102 102 HIS N N 15 116.53 . . 1 . . . . 102 H N . 16837 1 380 . 1 1 103 103 PHE H H 1 7.4930 . . 1 . . . . 103 F H . 16837 1 381 . 1 1 103 103 PHE C C 13 176.57 . . 1 . . . . 103 F C . 16837 1 382 . 1 1 103 103 PHE CA C 13 58.42 . . 1 . . . . 103 F CA . 16837 1 383 . 1 1 103 103 PHE CB C 13 39.46 . . 1 . . . . 103 F CB . 16837 1 384 . 1 1 103 103 PHE N N 15 119.59 . . 1 . . . . 103 F N . 16837 1 385 . 1 1 104 104 ILE H H 1 8.6050 . . 1 . . . . 104 I H . 16837 1 386 . 1 1 104 104 ILE C C 13 174.41 . . 1 . . . . 104 I C . 16837 1 387 . 1 1 104 104 ILE CA C 13 60.89 . . 1 . . . . 104 I CA . 16837 1 388 . 1 1 104 104 ILE CB C 13 39.89 . . 1 . . . . 104 I CB . 16837 1 389 . 1 1 104 104 ILE N N 15 123.56 . . 1 . . . . 104 I N . 16837 1 390 . 1 1 105 105 LYS H H 1 8.9420 . . 1 . . . . 105 K H . 16837 1 391 . 1 1 105 105 LYS C C 13 179.54 . . 1 . . . . 105 K C . 16837 1 392 . 1 1 105 105 LYS CA C 13 56.69 . . 1 . . . . 105 K CA . 16837 1 393 . 1 1 105 105 LYS CB C 13 32.36 . . 1 . . . . 105 K CB . 16837 1 394 . 1 1 105 105 LYS N N 15 126.74 . . 1 . . . . 105 K N . 16837 1 395 . 1 1 106 106 LYS H H 1 10.1510 . . 1 . . . . 106 K H . 16837 1 396 . 1 1 106 106 LYS C C 13 180.04 . . 1 . . . . 106 K C . 16837 1 397 . 1 1 106 106 LYS CA C 13 60.73 . . 1 . . . . 106 K CA . 16837 1 398 . 1 1 106 106 LYS CB C 13 31.55 . . 1 . . . . 106 K CB . 16837 1 399 . 1 1 106 106 LYS N N 15 126.26 . . 1 . . . . 106 K N . 16837 1 400 . 1 1 107 107 GLY H H 1 9.2530 . . 1 . . . . 107 G H . 16837 1 401 . 1 1 107 107 GLY C C 13 174.56 . . 1 . . . . 107 G C . 16837 1 402 . 1 1 107 107 GLY CA C 13 46.24 . . 1 . . . . 107 G CA . 16837 1 403 . 1 1 107 107 GLY N N 15 104.70 . . 1 . . . . 107 G N . 16837 1 404 . 1 1 108 108 ASP H H 1 7.9110 . . 1 . . . . 108 D H . 16837 1 405 . 1 1 108 108 ASP C C 13 177.20 . . 1 . . . . 108 D C . 16837 1 406 . 1 1 108 108 ASP CA C 13 54.86 . . 1 . . . . 108 D CA . 16837 1 407 . 1 1 108 108 ASP CB C 13 42.21 . . 1 . . . . 108 D CB . 16837 1 408 . 1 1 108 108 ASP N N 15 117.36 . . 1 . . . . 108 D N . 16837 1 409 . 1 1 109 109 VAL H H 1 7.2530 . . 1 . . . . 109 V H . 16837 1 410 . 1 1 109 109 VAL C C 13 174.82 . . 1 . . . . 109 V C . 16837 1 411 . 1 1 109 109 VAL CA C 13 69.45 . . 1 . . . . 109 V CA . 16837 1 412 . 1 1 109 109 VAL CB C 13 30.23 . . 1 . . . . 109 V CB . 16837 1 413 . 1 1 109 109 VAL N N 15 122.95 . . 1 . . . . 109 V N . 16837 1 414 . 1 1 110 110 PRO C C 13 178.64 . . 1 . . . . 110 P C . 16837 1 415 . 1 1 110 110 PRO CA C 13 65.91 . . 1 . . . . 110 P CA . 16837 1 416 . 1 1 110 110 PRO CB C 13 31.06 . . 1 . . . . 110 P CB . 16837 1 417 . 1 1 111 111 ARG H H 1 7.9080 . . 1 . . . . 111 R H . 16837 1 418 . 1 1 111 111 ARG C C 13 176.55 . . 1 . . . . 111 R C . 16837 1 419 . 1 1 111 111 ARG CA C 13 57.83 . . 1 . . . . 111 R CA . 16837 1 420 . 1 1 111 111 ARG CB C 13 30.09 . . 1 . . . . 111 R CB . 16837 1 421 . 1 1 111 111 ARG N N 15 113.50 . . 1 . . . . 111 R N . 16837 1 422 . 1 1 112 112 ALA H H 1 7.8420 . . 1 . . . . 112 A H . 16837 1 423 . 1 1 112 112 ALA C C 13 178.09 . . 1 . . . . 112 A C . 16837 1 424 . 1 1 112 112 ALA CA C 13 51.94 . . 1 . . . . 112 A CA . 16837 1 425 . 1 1 112 112 ALA CB C 13 21.11 . . 1 . . . . 112 A CB . 16837 1 426 . 1 1 112 112 ALA N N 15 119.68 . . 1 . . . . 112 A N . 16837 1 427 . 1 1 113 113 LEU H H 1 6.8800 . . 1 . . . . 113 L H . 16837 1 428 . 1 1 113 113 LEU C C 13 176.95 . . 1 . . . . 113 L C . 16837 1 429 . 1 1 113 113 LEU CA C 13 56.16 . . 1 . . . . 113 L CA . 16837 1 430 . 1 1 113 113 LEU CB C 13 42.68 . . 1 . . . . 113 L CB . 16837 1 431 . 1 1 113 113 LEU N N 15 118.06 . . 1 . . . . 113 L N . 16837 1 432 . 1 1 114 114 ASN H H 1 9.7240 . . 1 . . . . 114 N H . 16837 1 433 . 1 1 114 114 ASN C C 13 173.45 . . 1 . . . . 114 N C . 16837 1 434 . 1 1 114 114 ASN CA C 13 55.38 . . 1 . . . . 114 N CA . 16837 1 435 . 1 1 114 114 ASN CB C 13 37.40 . . 1 . . . . 114 N CB . 16837 1 436 . 1 1 114 114 ASN N N 15 115.53 . . 1 . . . . 114 N N . 16837 1 437 . 1 1 115 115 ARG H H 1 7.2140 . . 1 . . . . 115 R H . 16837 1 438 . 1 1 115 115 ARG C C 13 176.20 . . 1 . . . . 115 R C . 16837 1 439 . 1 1 115 115 ARG CA C 13 53.27 . . 1 . . . . 115 R CA . 16837 1 440 . 1 1 115 115 ARG CB C 13 31.99 . . 1 . . . . 115 R CB . 16837 1 441 . 1 1 115 115 ARG N N 15 115.62 . . 1 . . . . 115 R N . 16837 1 442 . 1 1 116 116 LEU H H 1 8.2550 . . 1 . . . . 116 L H . 16837 1 443 . 1 1 116 116 LEU C C 13 177.51 . . 1 . . . . 116 L C . 16837 1 444 . 1 1 116 116 LEU CA C 13 55.95 . . 1 . . . . 116 L CA . 16837 1 445 . 1 1 116 116 LEU CB C 13 40.83 . . 1 . . . . 116 L CB . 16837 1 446 . 1 1 116 116 LEU N N 15 120.06 . . 1 . . . . 116 L N . 16837 1 447 . 1 1 117 117 ALA H H 1 7.1900 . . 1 . . . . 117 A H . 16837 1 448 . 1 1 117 117 ALA C C 13 174.59 . . 1 . . . . 117 A C . 16837 1 449 . 1 1 117 117 ALA CA C 13 52.01 . . 1 . . . . 117 A CA . 16837 1 450 . 1 1 117 117 ALA CB C 13 24.17 . . 1 . . . . 117 A CB . 16837 1 451 . 1 1 117 117 ALA N N 15 121.50 . . 1 . . . . 117 A N . 16837 1 452 . 1 1 118 118 THR H H 1 8.5870 . . 1 . . . . 118 T H . 16837 1 453 . 1 1 118 118 THR C C 13 172.53 . . 1 . . . . 118 T C . 16837 1 454 . 1 1 118 118 THR CA C 13 61.94 . . 1 . . . . 118 T CA . 16837 1 455 . 1 1 118 118 THR CB C 13 71.65 . . 1 . . . . 118 T CB . 16837 1 456 . 1 1 118 118 THR N N 15 115.95 . . 1 . . . . 118 T N . 16837 1 457 . 1 1 119 119 LEU H H 1 9.6150 . . 1 . . . . 119 L H . 16837 1 458 . 1 1 119 119 LEU C C 13 173.95 . . 1 . . . . 119 L C . 16837 1 459 . 1 1 119 119 LEU CA C 13 54.57 . . 1 . . . . 119 L CA . 16837 1 460 . 1 1 119 119 LEU CB C 13 40.88 . . 1 . . . . 119 L CB . 16837 1 461 . 1 1 119 119 LEU N N 15 130.81 . . 1 . . . . 119 L N . 16837 1 462 . 1 1 120 120 VAL H H 1 9.0890 . . 1 . . . . 120 V H . 16837 1 463 . 1 1 120 120 VAL C C 13 174.33 . . 1 . . . . 120 V C . 16837 1 464 . 1 1 120 120 VAL CA C 13 61.89 . . 1 . . . . 120 V CA . 16837 1 465 . 1 1 120 120 VAL CB C 13 31.05 . . 1 . . . . 120 V CB . 16837 1 466 . 1 1 120 120 VAL N N 15 129.70 . . 1 . . . . 120 V N . 16837 1 467 . 1 1 121 121 THR H H 1 7.9140 . . 1 . . . . 121 T H . 16837 1 468 . 1 1 121 121 THR C C 13 173.38 . . 1 . . . . 121 T C . 16837 1 469 . 1 1 121 121 THR CA C 13 59.19 . . 1 . . . . 121 T CA . 16837 1 470 . 1 1 121 121 THR CB C 13 69.31 . . 1 . . . . 121 T CB . 16837 1 471 . 1 1 121 121 THR N N 15 118.07 . . 1 . . . . 121 T N . 16837 1 472 . 1 1 122 122 THR H H 1 8.5180 . . 1 . . . . 122 T H . 16837 1 473 . 1 1 122 122 THR C C 13 173.35 . . 1 . . . . 122 T C . 16837 1 474 . 1 1 122 122 THR CA C 13 61.45 . . 1 . . . . 122 T CA . 16837 1 475 . 1 1 122 122 THR CB C 13 71.58 . . 1 . . . . 122 T CB . 16837 1 476 . 1 1 122 122 THR N N 15 115.65 . . 1 . . . . 122 T N . 16837 1 477 . 1 1 123 123 VAL H H 1 7.7810 . . 1 . . . . 123 V H . 16837 1 478 . 1 1 123 123 VAL C C 13 176.52 . . 1 . . . . 123 V C . 16837 1 479 . 1 1 123 123 VAL CA C 13 62.56 . . 1 . . . . 123 V CA . 16837 1 480 . 1 1 123 123 VAL CB C 13 33.06 . . 1 . . . . 123 V CB . 16837 1 481 . 1 1 123 123 VAL N N 15 117.66 . . 1 . . . . 123 V N . 16837 1 482 . 1 1 124 124 ASN C C 13 175.36 . . 1 . . . . 124 N C . 16837 1 483 . 1 1 124 124 ASN CA C 13 54.39 . . 1 . . . . 124 N CA . 16837 1 484 . 1 1 124 124 ASN CB C 13 37.40 . . 1 . . . . 124 N CB . 16837 1 485 . 1 1 125 125 GLY H H 1 8.0200 . . 1 . . . . 125 G H . 16837 1 486 . 1 1 125 125 GLY C C 13 174.58 . . 1 . . . . 125 G C . 16837 1 487 . 1 1 125 125 GLY CA C 13 45.37 . . 1 . . . . 125 G CA . 16837 1 488 . 1 1 125 125 GLY N N 15 102.99 . . 1 . . . . 125 G N . 16837 1 489 . 1 1 126 126 THR H H 1 7.8430 . . 1 . . . . 126 T H . 16837 1 490 . 1 1 126 126 THR C C 13 172.32 . . 1 . . . . 126 T C . 16837 1 491 . 1 1 126 126 THR CA C 13 61.01 . . 1 . . . . 126 T CA . 16837 1 492 . 1 1 126 126 THR CB C 13 69.88 . . 1 . . . . 126 T CB . 16837 1 493 . 1 1 126 126 THR N N 15 120.82 . . 1 . . . . 126 T N . 16837 1 494 . 1 1 131 131 SER C C 13 174.26 . . 1 . . . . 131 S C . 16837 1 495 . 1 1 131 131 SER CA C 13 59.63 . . 1 . . . . 131 S CA . 16837 1 496 . 1 1 131 131 SER CB C 13 62.95 . . 1 . . . . 131 S CB . 16837 1 497 . 1 1 132 132 GLU H H 1 8.2930 . . 1 . . . . 132 E H . 16837 1 498 . 1 1 132 132 GLU C C 13 177.24 . . 1 . . . . 132 E C . 16837 1 499 . 1 1 132 132 GLU CA C 13 56.42 . . 1 . . . . 132 E CA . 16837 1 500 . 1 1 132 132 GLU CB C 13 28.89 . . 1 . . . . 132 E CB . 16837 1 501 . 1 1 132 132 GLU N N 15 123.50 . . 1 . . . . 132 E N . 16837 1 502 . 1 1 133 133 GLY H H 1 8.2280 . . 1 . . . . 133 G H . 16837 1 503 . 1 1 133 133 GLY C C 13 168.77 . . 1 . . . . 133 G C . 16837 1 504 . 1 1 133 133 GLY CA C 13 45.42 . . 1 . . . . 133 G CA . 16837 1 505 . 1 1 133 133 GLY N N 15 107.59 . . 1 . . . . 133 G N . 16837 1 506 . 1 1 134 134 PRO C C 13 180.01 . . 1 . . . . 134 P C . 16837 1 507 . 1 1 134 134 PRO CA C 13 62.35 . . 1 . . . . 134 P CA . 16837 1 508 . 1 1 134 134 PRO CB C 13 30.89 . . 1 . . . . 134 P CB . 16837 1 509 . 1 1 135 135 LEU H H 1 7.3670 . . 1 . . . . 135 L H . 16837 1 510 . 1 1 135 135 LEU C C 13 178.35 . . 1 . . . . 135 L C . 16837 1 511 . 1 1 135 135 LEU CA C 13 56.47 . . 1 . . . . 135 L CA . 16837 1 512 . 1 1 135 135 LEU CB C 13 44.35 . . 1 . . . . 135 L CB . 16837 1 513 . 1 1 135 135 LEU N N 15 123.62 . . 1 . . . . 135 L N . 16837 1 514 . 1 1 136 136 LYS H H 1 8.3310 . . 1 . . . . 136 K H . 16837 1 515 . 1 1 136 136 LYS C C 13 175.18 . . 1 . . . . 136 K C . 16837 1 516 . 1 1 136 136 LYS CA C 13 54.82 . . 1 . . . . 136 K CA . 16837 1 517 . 1 1 136 136 LYS CB C 13 35.62 . . 1 . . . . 136 K CB . 16837 1 518 . 1 1 136 136 LYS N N 15 119.05 . . 1 . . . . 136 K N . 16837 1 519 . 1 1 137 137 MET H H 1 8.3590 . . 1 . . . . 137 M H . 16837 1 520 . 1 1 137 137 MET C C 13 175.12 . . 1 . . . . 137 M C . 16837 1 521 . 1 1 137 137 MET CA C 13 54.78 . . 1 . . . . 137 M CA . 16837 1 522 . 1 1 137 137 MET CB C 13 33.72 . . 1 . . . . 137 M CB . 16837 1 523 . 1 1 137 137 MET N N 15 120.88 . . 1 . . . . 137 M N . 16837 1 524 . 1 1 138 138 GLU C C 13 173.72 . . 1 . . . . 138 E C . 16837 1 525 . 1 1 138 138 GLU CA C 13 55.50 . . 1 . . . . 138 E CA . 16837 1 526 . 1 1 138 138 GLU CB C 13 37.03 . . 1 . . . . 138 E CB . 16837 1 527 . 1 1 139 139 GLU H H 1 7.0790 . . 1 . . . . 139 E H . 16837 1 528 . 1 1 139 139 GLU C C 13 176.64 . . 1 . . . . 139 E C . 16837 1 529 . 1 1 139 139 GLU CA C 13 53.60 . . 1 . . . . 139 E CA . 16837 1 530 . 1 1 139 139 GLU CB C 13 33.70 . . 1 . . . . 139 E CB . 16837 1 531 . 1 1 139 139 GLU N N 15 114.89 . . 1 . . . . 139 E N . 16837 1 532 . 1 1 140 140 LYS H H 1 8.6760 . . 1 . . . . 140 K H . 16837 1 533 . 1 1 140 140 LYS C C 13 177.53 . . 1 . . . . 140 K C . 16837 1 534 . 1 1 140 140 LYS CA C 13 55.50 . . 1 . . . . 140 K CA . 16837 1 535 . 1 1 140 140 LYS CB C 13 42.09 . . 1 . . . . 140 K CB . 16837 1 536 . 1 1 140 140 LYS N N 15 119.70 . . 1 . . . . 140 K N . 16837 1 537 . 1 1 141 141 ALA H H 1 8.9050 . . 1 . . . . 141 A H . 16837 1 538 . 1 1 141 141 ALA C C 13 174.29 . . 1 . . . . 141 A C . 16837 1 539 . 1 1 141 141 ALA CA C 13 51.70 . . 1 . . . . 141 A CA . 16837 1 540 . 1 1 141 141 ALA CB C 13 24.31 . . 1 . . . . 141 A CB . 16837 1 541 . 1 1 141 141 ALA N N 15 124.76 . . 1 . . . . 141 A N . 16837 1 542 . 1 1 142 142 THR H H 1 8.8310 . . 1 . . . . 142 T H . 16837 1 543 . 1 1 142 142 THR C C 13 173.02 . . 1 . . . . 142 T C . 16837 1 544 . 1 1 142 142 THR CA C 13 61.96 . . 1 . . . . 142 T CA . 16837 1 545 . 1 1 142 142 THR CB C 13 71.11 . . 1 . . . . 142 T CB . 16837 1 546 . 1 1 142 142 THR N N 15 115.61 . . 1 . . . . 142 T N . 16837 1 547 . 1 1 143 143 TYR H H 1 9.7290 . . 1 . . . . 143 Y H . 16837 1 548 . 1 1 143 143 TYR C C 13 173.89 . . 1 . . . . 143 Y C . 16837 1 549 . 1 1 143 143 TYR CA C 13 54.56 . . 1 . . . . 143 Y CA . 16837 1 550 . 1 1 143 143 TYR CB C 13 40.80 . . 1 . . . . 143 Y CB . 16837 1 551 . 1 1 143 143 TYR N N 15 131.35 . . 1 . . . . 143 Y N . 16837 1 552 . 1 1 149 149 ASP C C 13 177.33 . . 1 . . . . 149 D C . 16837 1 553 . 1 1 149 149 ASP CA C 13 53.58 . . 1 . . . . 149 D CA . 16837 1 554 . 1 1 149 149 ASP CB C 13 39.82 . . 1 . . . . 149 D CB . 16837 1 555 . 1 1 150 150 GLY H H 1 7.8690 . . 1 . . . . 150 G H . 16837 1 556 . 1 1 150 150 GLY C C 13 174.79 . . 1 . . . . 150 G C . 16837 1 557 . 1 1 150 150 GLY CA C 13 45.63 . . 1 . . . . 150 G CA . 16837 1 558 . 1 1 150 150 GLY N N 15 107.80 . . 1 . . . . 150 G N . 16837 1 559 . 1 1 151 151 THR H H 1 7.9070 . . 1 . . . . 151 T H . 16837 1 560 . 1 1 151 151 THR C C 13 173.65 . . 1 . . . . 151 T C . 16837 1 561 . 1 1 151 151 THR CA C 13 62.37 . . 1 . . . . 151 T CA . 16837 1 562 . 1 1 151 151 THR CB C 13 70.61 . . 1 . . . . 151 T CB . 16837 1 563 . 1 1 151 151 THR N N 15 113.96 . . 1 . . . . 151 T N . 16837 1 564 . 1 1 152 152 THR H H 1 7.9990 . . 1 . . . . 152 T H . 16837 1 565 . 1 1 152 152 THR C C 13 174.70 . . 1 . . . . 152 T C . 16837 1 566 . 1 1 152 152 THR CA C 13 60.35 . . 1 . . . . 152 T CA . 16837 1 567 . 1 1 152 152 THR CB C 13 71.60 . . 1 . . . . 152 T CB . 16837 1 568 . 1 1 152 152 THR N N 15 109.37 . . 1 . . . . 152 T N . 16837 1 569 . 1 1 153 153 VAL H H 1 8.6030 . . 1 . . . . 153 V H . 16837 1 570 . 1 1 153 153 VAL C C 13 173.15 . . 1 . . . . 153 V C . 16837 1 571 . 1 1 153 153 VAL CA C 13 60.35 . . 1 . . . . 153 V CA . 16837 1 572 . 1 1 153 153 VAL CB C 13 34.65 . . 1 . . . . 153 V CB . 16837 1 573 . 1 1 153 153 VAL N N 15 119.50 . . 1 . . . . 153 V N . 16837 1 574 . 1 1 154 154 ASP H H 1 7.9810 . . 1 . . . . 154 D H . 16837 1 575 . 1 1 154 154 ASP C C 13 175.31 . . 1 . . . . 154 D C . 16837 1 576 . 1 1 154 154 ASP CA C 13 54.19 . . 1 . . . . 154 D CA . 16837 1 577 . 1 1 154 154 ASP CB C 13 41.12 . . 1 . . . . 154 D CB . 16837 1 578 . 1 1 154 154 ASP N N 15 124.87 . . 1 . . . . 154 D N . 16837 1 579 . 1 1 155 155 LEU H H 1 8.7300 . . 1 . . . . 155 L H . 16837 1 580 . 1 1 155 155 LEU C C 13 174.99 . . 1 . . . . 155 L C . 16837 1 581 . 1 1 155 155 LEU CA C 13 54.03 . . 1 . . . . 155 L CA . 16837 1 582 . 1 1 155 155 LEU CB C 13 42.77 . . 1 . . . . 155 L CB . 16837 1 583 . 1 1 155 155 LEU N N 15 125.86 . . 1 . . . . 155 L N . 16837 1 584 . 1 1 156 156 THR H H 1 8.7070 . . 1 . . . . 156 T H . 16837 1 585 . 1 1 156 156 THR CA C 13 59.36 . . 1 . . . . 156 T CA . 16837 1 586 . 1 1 156 156 THR CB C 13 62.80 . . 1 . . . . 156 T CB . 16837 1 587 . 1 1 156 156 THR N N 15 124.67 . . 1 . . . . 156 T N . 16837 1 588 . 1 1 157 157 VAL CA C 13 59.86 . . 1 . . . . 157 V CA . 16837 1 589 . 1 1 157 157 VAL CB C 13 40.47 . . 1 . . . . 157 V CB . 16837 1 590 . 1 1 158 158 ASP H H 1 8.1570 . . 1 . . . . 158 D H . 16837 1 591 . 1 1 158 158 ASP CA C 13 54.13 . . 1 . . . . 158 D CA . 16837 1 592 . 1 1 158 158 ASP CB C 13 42.32 . . 1 . . . . 158 D CB . 16837 1 593 . 1 1 158 158 ASP N N 15 124.83 . . 1 . . . . 158 D N . 16837 1 594 . 1 1 159 159 GLN H H 1 8.7810 . . 1 . . . . 159 Q H . 16837 1 595 . 1 1 159 159 GLN CA C 13 61.38 . . 1 . . . . 159 Q CA . 16837 1 596 . 1 1 159 159 GLN CB C 13 33.91 . . 1 . . . . 159 Q CB . 16837 1 597 . 1 1 159 159 GLN N N 15 124.00 . . 1 . . . . 159 Q N . 16837 1 598 . 1 1 160 160 ALA H H 1 8.5250 . . 1 . . . . 160 A H . 16837 1 599 . 1 1 160 160 ALA CA C 13 50.03 . . 1 . . . . 160 A CA . 16837 1 600 . 1 1 160 160 ALA CB C 13 21.69 . . 1 . . . . 160 A CB . 16837 1 601 . 1 1 160 160 ALA N N 15 127.27 . . 1 . . . . 160 A N . 16837 1 602 . 1 1 161 161 TRP C C 13 176.40 . . 1 . . . . 161 W C . 16837 1 603 . 1 1 161 161 TRP CA C 13 56.02 . . 1 . . . . 161 W CA . 16837 1 604 . 1 1 161 161 TRP CB C 13 31.47 . . 1 . . . . 161 W CB . 16837 1 605 . 1 1 162 162 ARG H H 1 9.1100 . . 1 . . . . 162 R H . 16837 1 606 . 1 1 162 162 ARG C C 13 175.44 . . 1 . . . . 162 R C . 16837 1 607 . 1 1 162 162 ARG CA C 13 55.22 . . 1 . . . . 162 R CA . 16837 1 608 . 1 1 162 162 ARG CB C 13 33.38 . . 1 . . . . 162 R CB . 16837 1 609 . 1 1 162 162 ARG N N 15 121.98 . . 1 . . . . 162 R N . 16837 1 610 . 1 1 163 163 GLY H H 1 8.8340 . . 1 . . . . 163 G H . 16837 1 611 . 1 1 163 163 GLY C C 13 172.53 . . 1 . . . . 163 G C . 16837 1 612 . 1 1 163 163 GLY CA C 13 43.80 . . 1 . . . . 163 G CA . 16837 1 613 . 1 1 163 163 GLY N N 15 113.77 . . 1 . . . . 163 G N . 16837 1 614 . 1 1 164 164 LYS H H 1 8.6780 . . 1 . . . . 164 K H . 16837 1 615 . 1 1 164 164 LYS C C 13 175.78 . . 1 . . . . 164 K C . 16837 1 616 . 1 1 164 164 LYS CA C 13 56.06 . . 1 . . . . 164 K CA . 16837 1 617 . 1 1 164 164 LYS CB C 13 34.26 . . 1 . . . . 164 K CB . 16837 1 618 . 1 1 164 164 LYS N N 15 122.77 . . 1 . . . . 164 K N . 16837 1 619 . 1 1 165 165 GLY H H 1 7.5650 . . 1 . . . . 165 G H . 16837 1 620 . 1 1 165 165 GLY C C 13 170.86 . . 1 . . . . 165 G C . 16837 1 621 . 1 1 165 165 GLY CA C 13 44.88 . . 1 . . . . 165 G CA . 16837 1 622 . 1 1 165 165 GLY N N 15 110.61 . . 1 . . . . 165 G N . 16837 1 623 . 1 1 166 166 GLU H H 1 8.0060 . . 1 . . . . 166 E H . 16837 1 624 . 1 1 166 166 GLU C C 13 175.39 . . 1 . . . . 166 E C . 16837 1 625 . 1 1 166 166 GLU CA C 13 55.03 . . 1 . . . . 166 E CA . 16837 1 626 . 1 1 166 166 GLU CB C 13 29.92 . . 1 . . . . 166 E CB . 16837 1 627 . 1 1 166 166 GLU N N 15 117.83 . . 1 . . . . 166 E N . 16837 1 628 . 1 1 167 167 GLY H H 1 8.3600 . . 1 . . . . 167 G H . 16837 1 629 . 1 1 167 167 GLY C C 13 172.93 . . 1 . . . . 167 G C . 16837 1 630 . 1 1 167 167 GLY CA C 13 44.69 . . 1 . . . . 167 G CA . 16837 1 631 . 1 1 167 167 GLY N N 15 110.16 . . 1 . . . . 167 G N . 16837 1 632 . 1 1 168 168 LEU H H 1 7.5130 . . 1 . . . . 168 L H . 16837 1 633 . 1 1 168 168 LEU C C 13 177.49 . . 1 . . . . 168 L C . 16837 1 634 . 1 1 168 168 LEU CA C 13 52.56 . . 1 . . . . 168 L CA . 16837 1 635 . 1 1 168 168 LEU CB C 13 43.70 . . 1 . . . . 168 L CB . 16837 1 636 . 1 1 168 168 LEU N N 15 120.78 . . 1 . . . . 168 L N . 16837 1 637 . 1 1 170 170 GLY C C 13 174.65 . . 1 . . . . 170 G C . 16837 1 638 . 1 1 170 170 GLY CA C 13 46.38 . . 1 . . . . 170 G CA . 16837 1 639 . 1 1 171 171 MET H H 1 7.8240 . . 1 . . . . 171 M H . 16837 1 640 . 1 1 171 171 MET C C 13 179.15 . . 1 . . . . 171 M C . 16837 1 641 . 1 1 171 171 MET CA C 13 56.98 . . 1 . . . . 171 M CA . 16837 1 642 . 1 1 171 171 MET CB C 13 33.71 . . 1 . . . . 171 M CB . 16837 1 643 . 1 1 171 171 MET N N 15 113.67 . . 1 . . . . 171 M N . 16837 1 644 . 1 1 172 172 CYS H H 1 7.8460 . . 1 . . . . 172 C H . 16837 1 645 . 1 1 172 172 CYS C C 13 174.08 . . 1 . . . . 172 C C . 16837 1 646 . 1 1 172 172 CYS CA C 13 62.26 . . 1 . . . . 172 C CA . 16837 1 647 . 1 1 172 172 CYS CB C 13 28.86 . . 1 . . . . 172 C CB . 16837 1 648 . 1 1 172 172 CYS N N 15 117.20 . . 1 . . . . 172 C N . 16837 1 649 . 1 1 173 173 GLY H H 1 9.3390 . . 1 . . . . 173 G H . 16837 1 650 . 1 1 173 173 GLY C C 13 173.03 . . 1 . . . . 173 G C . 16837 1 651 . 1 1 173 173 GLY CA C 13 45.59 . . 1 . . . . 173 G CA . 16837 1 652 . 1 1 173 173 GLY N N 15 113.09 . . 1 . . . . 173 G N . 16837 1 653 . 1 1 174 174 GLY H H 1 7.0590 . . 1 . . . . 174 G H . 16837 1 654 . 1 1 174 174 GLY C C 13 171.74 . . 1 . . . . 174 G C . 16837 1 655 . 1 1 174 174 GLY CA C 13 45.23 . . 1 . . . . 174 G CA . 16837 1 656 . 1 1 174 174 GLY N N 15 98.20 . . 1 . . . . 174 G N . 16837 1 657 . 1 1 175 175 ALA H H 1 7.9200 . . 1 . . . . 175 A H . 16837 1 658 . 1 1 175 175 ALA C C 13 174.75 . . 1 . . . . 175 A C . 16837 1 659 . 1 1 175 175 ALA CA C 13 50.54 . . 1 . . . . 175 A CA . 16837 1 660 . 1 1 175 175 ALA CB C 13 23.21 . . 1 . . . . 175 A CB . 16837 1 661 . 1 1 175 175 ALA N N 15 118.77 . . 1 . . . . 175 A N . 16837 1 662 . 1 1 176 176 LEU H H 1 7.8160 . . 1 . . . . 176 L H . 16837 1 663 . 1 1 176 176 LEU C C 13 174.72 . . 1 . . . . 176 L C . 16837 1 664 . 1 1 176 176 LEU CA C 13 53.64 . . 1 . . . . 176 L CA . 16837 1 665 . 1 1 176 176 LEU CB C 13 44.45 . . 1 . . . . 176 L CB . 16837 1 666 . 1 1 176 176 LEU N N 15 125.23 . . 1 . . . . 176 L N . 16837 1 667 . 1 1 177 177 VAL H H 1 9.0650 . . 1 . . . . 177 V H . 16837 1 668 . 1 1 177 177 VAL C C 13 176.33 . . 1 . . . . 177 V C . 16837 1 669 . 1 1 177 177 VAL CA C 13 61.39 . . 1 . . . . 177 V CA . 16837 1 670 . 1 1 177 177 VAL CB C 13 34.04 . . 1 . . . . 177 V CB . 16837 1 671 . 1 1 177 177 VAL N N 15 126.39 . . 1 . . . . 177 V N . 16837 1 672 . 1 1 178 178 SER H H 1 8.4960 . . 1 . . . . 178 S H . 16837 1 673 . 1 1 178 178 SER C C 13 175.31 . . 1 . . . . 178 S C . 16837 1 674 . 1 1 178 178 SER CA C 13 59.76 . . 1 . . . . 178 S CA . 16837 1 675 . 1 1 178 178 SER CB C 13 64.53 . . 1 . . . . 178 S CB . 16837 1 676 . 1 1 178 178 SER N N 15 119.96 . . 1 . . . . 178 S N . 16837 1 677 . 1 1 179 179 SER H H 1 7.8580 . . 1 . . . . 179 S H . 16837 1 678 . 1 1 179 179 SER C C 13 174.22 . . 1 . . . . 179 S C . 16837 1 679 . 1 1 179 179 SER CA C 13 60.09 . . 1 . . . . 179 S CA . 16837 1 680 . 1 1 179 179 SER CB C 13 63.61 . . 1 . . . . 179 S CB . 16837 1 681 . 1 1 179 179 SER N N 15 119.74 . . 1 . . . . 179 S N . 16837 1 682 . 1 1 180 180 ASN H H 1 8.2370 . . 1 . . . . 180 N H . 16837 1 683 . 1 1 180 180 ASN C C 13 176.39 . . 1 . . . . 180 N C . 16837 1 684 . 1 1 180 180 ASN CA C 13 53.51 . . 1 . . . . 180 N CA . 16837 1 685 . 1 1 180 180 ASN CB C 13 37.69 . . 1 . . . . 180 N CB . 16837 1 686 . 1 1 180 180 ASN N N 15 119.53 . . 1 . . . . 180 N N . 16837 1 687 . 1 1 186 186 ALA C C 13 177.03 . . 1 . . . . 186 A C . 16837 1 688 . 1 1 186 186 ALA CA C 13 53.01 . . 1 . . . . 186 A CA . 16837 1 689 . 1 1 186 186 ALA CB C 13 19.75 . . 1 . . . . 186 A CB . 16837 1 690 . 1 1 187 187 ILE H H 1 8.5090 . . 1 . . . . 187 I H . 16837 1 691 . 1 1 187 187 ILE C C 13 176.23 . . 1 . . . . 187 I C . 16837 1 692 . 1 1 187 187 ILE CA C 13 62.56 . . 1 . . . . 187 I CA . 16837 1 693 . 1 1 187 187 ILE CB C 13 37.63 . . 1 . . . . 187 I CB . 16837 1 694 . 1 1 187 187 ILE N N 15 119.09 . . 1 . . . . 187 I N . 16837 1 695 . 1 1 188 188 LEU H H 1 9.0080 . . 1 . . . . 188 L H . 16837 1 696 . 1 1 188 188 LEU C C 13 179.06 . . 1 . . . . 188 L C . 16837 1 697 . 1 1 188 188 LEU CA C 13 54.63 . . 1 . . . . 188 L CA . 16837 1 698 . 1 1 188 188 LEU CB C 13 41.84 . . 1 . . . . 188 L CB . 16837 1 699 . 1 1 188 188 LEU N N 15 123.30 . . 1 . . . . 188 L N . 16837 1 700 . 1 1 189 189 GLY H H 1 7.1660 . . 1 . . . . 189 G H . 16837 1 701 . 1 1 189 189 GLY C C 13 171.35 . . 1 . . . . 189 G C . 16837 1 702 . 1 1 189 189 GLY CA C 13 46.12 . . 1 . . . . 189 G CA . 16837 1 703 . 1 1 189 189 GLY N N 15 102.14 . . 1 . . . . 189 G N . 16837 1 704 . 1 1 190 190 ILE H H 1 7.7790 . . 1 . . . . 190 I H . 16837 1 705 . 1 1 190 190 ILE C C 13 175.38 . . 1 . . . . 190 I C . 16837 1 706 . 1 1 190 190 ILE CA C 13 56.21 . . 1 . . . . 190 I CA . 16837 1 707 . 1 1 190 190 ILE CB C 13 40.31 . . 1 . . . . 190 I CB . 16837 1 708 . 1 1 190 190 ILE N N 15 118.35 . . 1 . . . . 190 I N . 16837 1 709 . 1 1 191 191 HIS H H 1 8.7220 . . 1 . . . . 191 H H . 16837 1 710 . 1 1 191 191 HIS C C 13 175.71 . . 1 . . . . 191 H C . 16837 1 711 . 1 1 191 191 HIS CA C 13 59.55 . . 1 . . . . 191 H CA . 16837 1 712 . 1 1 191 191 HIS CB C 13 32.87 . . 1 . . . . 191 H CB . 16837 1 713 . 1 1 191 191 HIS N N 15 127.16 . . 1 . . . . 191 H N . 16837 1 714 . 1 1 193 193 ALA C C 13 174.76 . . 1 . . . . 193 A C . 16837 1 715 . 1 1 193 193 ALA CA C 13 52.89 . . 1 . . . . 193 A CA . 16837 1 716 . 1 1 193 193 ALA CB C 13 21.54 . . 1 . . . . 193 A CB . 16837 1 717 . 1 1 194 194 GLY H H 1 8.1160 . . 1 . . . . 194 G H . 16837 1 718 . 1 1 194 194 GLY C C 13 172.87 . . 1 . . . . 194 G C . 16837 1 719 . 1 1 194 194 GLY CA C 13 45.66 . . 1 . . . . 194 G CA . 16837 1 720 . 1 1 194 194 GLY N N 15 107.19 . . 1 . . . . 194 G N . 16837 1 721 . 1 1 195 195 GLY H H 1 8.1410 . . 1 . . . . 195 G H . 16837 1 722 . 1 1 195 195 GLY C C 13 174.32 . . 1 . . . . 195 G C . 16837 1 723 . 1 1 195 195 GLY CA C 13 45.35 . . 1 . . . . 195 G CA . 16837 1 724 . 1 1 195 195 GLY N N 15 110.28 . . 1 . . . . 195 G N . 16837 1 725 . 1 1 196 196 ASN CA C 13 58.87 . . 1 . . . . 196 N CA . 16837 1 726 . 1 1 196 196 ASN CB C 13 39.58 . . 1 . . . . 196 N CB . 16837 1 727 . 1 1 197 197 SER H H 1 8.6140 . . 1 . . . . 197 S H . 16837 1 728 . 1 1 197 197 SER CA C 13 58.93 . . 1 . . . . 197 S CA . 16837 1 729 . 1 1 197 197 SER CB C 13 63.14 . . 1 . . . . 197 S CB . 16837 1 730 . 1 1 197 197 SER N N 15 123.05 . . 1 . . . . 197 S N . 16837 1 731 . 1 1 198 198 ILE H H 1 8.6880 . . 1 . . . . 198 I H . 16837 1 732 . 1 1 198 198 ILE CA C 13 54.60 . . 1 . . . . 198 I CA . 16837 1 733 . 1 1 198 198 ILE CB C 13 33.81 . . 1 . . . . 198 I CB . 16837 1 734 . 1 1 198 198 ILE N N 15 120.49 . . 1 . . . . 198 I N . 16837 1 735 . 1 1 202 202 LYS C C 13 176.49 . . 1 . . . . 202 K C . 16837 1 736 . 1 1 202 202 LYS CA C 13 55.48 . . 1 . . . . 202 K CA . 16837 1 737 . 1 1 202 202 LYS CB C 13 34.47 . . 1 . . . . 202 K CB . 16837 1 738 . 1 1 203 203 LEU H H 1 8.2460 . . 1 . . . . 203 L H . 16837 1 739 . 1 1 203 203 LEU C C 13 175.86 . . 1 . . . . 203 L C . 16837 1 740 . 1 1 203 203 LEU CA C 13 57.33 . . 1 . . . . 203 L CA . 16837 1 741 . 1 1 203 203 LEU CB C 13 41.59 . . 1 . . . . 203 L CB . 16837 1 742 . 1 1 203 203 LEU N N 15 128.67 . . 1 . . . . 203 L N . 16837 1 743 . 1 1 204 204 VAL H H 1 7.8180 . . 1 . . . . 204 V H . 16837 1 744 . 1 1 204 204 VAL C C 13 173.55 . . 1 . . . . 204 V C . 16837 1 745 . 1 1 204 204 VAL CA C 13 61.71 . . 1 . . . . 204 V CA . 16837 1 746 . 1 1 204 204 VAL CB C 13 34.94 . . 1 . . . . 204 V CB . 16837 1 747 . 1 1 204 204 VAL N N 15 128.99 . . 1 . . . . 204 V N . 16837 1 748 . 1 1 205 205 THR H H 1 7.4270 . . 1 . . . . 205 T H . 16837 1 749 . 1 1 205 205 THR C C 13 176.67 . . 1 . . . . 205 T C . 16837 1 750 . 1 1 205 205 THR CA C 13 58.18 . . 1 . . . . 205 T CA . 16837 1 751 . 1 1 205 205 THR CB C 13 71.56 . . 1 . . . . 205 T CB . 16837 1 752 . 1 1 205 205 THR N N 15 110.72 . . 1 . . . . 205 T N . 16837 1 753 . 1 1 206 206 GLN H H 1 8.6500 . . 1 . . . . 206 Q H . 16837 1 754 . 1 1 206 206 GLN C C 13 179.44 . . 1 . . . . 206 Q C . 16837 1 755 . 1 1 206 206 GLN CA C 13 59.27 . . 1 . . . . 206 Q CA . 16837 1 756 . 1 1 206 206 GLN CB C 13 29.22 . . 1 . . . . 206 Q CB . 16837 1 757 . 1 1 206 206 GLN N N 15 117.84 . . 1 . . . . 206 Q N . 16837 1 758 . 1 1 207 207 GLU H H 1 9.3250 . . 1 . . . . 207 E H . 16837 1 759 . 1 1 207 207 GLU C C 13 179.35 . . 1 . . . . 207 E C . 16837 1 760 . 1 1 207 207 GLU CA C 13 61.05 . . 1 . . . . 207 E CA . 16837 1 761 . 1 1 207 207 GLU CB C 13 27.84 . . 1 . . . . 207 E CB . 16837 1 762 . 1 1 207 207 GLU N N 15 118.84 . . 1 . . . . 207 E N . 16837 1 763 . 1 1 208 208 MET H H 1 7.4950 . . 1 . . . . 208 M H . 16837 1 764 . 1 1 208 208 MET C C 13 177.14 . . 1 . . . . 208 M C . 16837 1 765 . 1 1 208 208 MET CA C 13 58.77 . . 1 . . . . 208 M CA . 16837 1 766 . 1 1 208 208 MET CB C 13 30.91 . . 1 . . . . 208 M CB . 16837 1 767 . 1 1 208 208 MET N N 15 117.81 . . 1 . . . . 208 M N . 16837 1 768 . 1 1 209 209 PHE H H 1 6.9610 . . 1 . . . . 209 F H . 16837 1 769 . 1 1 209 209 PHE C C 13 177.13 . . 1 . . . . 209 F C . 16837 1 770 . 1 1 209 209 PHE CA C 13 58.24 . . 1 . . . . 209 F CA . 16837 1 771 . 1 1 209 209 PHE CB C 13 37.20 . . 1 . . . . 209 F CB . 16837 1 772 . 1 1 209 209 PHE N N 15 113.73 . . 1 . . . . 209 F N . 16837 1 773 . 1 1 210 210 GLN H H 1 7.3210 . . 1 . . . . 210 Q H . 16837 1 774 . 1 1 210 210 GLN C C 13 177.00 . . 1 . . . . 210 Q C . 16837 1 775 . 1 1 210 210 GLN CA C 13 58.65 . . 1 . . . . 210 Q CA . 16837 1 776 . 1 1 210 210 GLN CB C 13 28.31 . . 1 . . . . 210 Q CB . 16837 1 777 . 1 1 210 210 GLN N N 15 119.39 . . 1 . . . . 210 Q N . 16837 1 778 . 1 1 211 211 ASN H H 1 7.8130 . . 1 . . . . 211 N H . 16837 1 779 . 1 1 211 211 ASN C C 13 176.23 . . 1 . . . . 211 N C . 16837 1 780 . 1 1 211 211 ASN CA C 13 54.67 . . 1 . . . . 211 N CA . 16837 1 781 . 1 1 211 211 ASN CB C 13 38.47 . . 1 . . . . 211 N CB . 16837 1 782 . 1 1 211 211 ASN N N 15 114.63 . . 1 . . . . 211 N N . 16837 1 783 . 1 1 212 212 ILE H H 1 7.0000 . . 1 . . . . 212 I H . 16837 1 784 . 1 1 212 212 ILE C C 13 175.76 . . 1 . . . . 212 I C . 16837 1 785 . 1 1 212 212 ILE CA C 13 63.51 . . 1 . . . . 212 I CA . 16837 1 786 . 1 1 212 212 ILE CB C 13 37.12 . . 1 . . . . 212 I CB . 16837 1 787 . 1 1 212 212 ILE N N 15 115.86 . . 1 . . . . 212 I N . 16837 1 788 . 1 1 213 213 ASP H H 1 7.3950 . . 1 . . . . 213 D H . 16837 1 789 . 1 1 213 213 ASP C C 13 175.91 . . 1 . . . . 213 D C . 16837 1 790 . 1 1 213 213 ASP CA C 13 54.94 . . 1 . . . . 213 D CA . 16837 1 791 . 1 1 213 213 ASP CB C 13 40.91 . . 1 . . . . 213 D CB . 16837 1 792 . 1 1 213 213 ASP N N 15 120.44 . . 1 . . . . 213 D N . 16837 1 793 . 1 1 214 214 LYS H H 1 7.5690 . . 1 . . . . 214 K H . 16837 1 794 . 1 1 214 214 LYS CA C 13 56.63 . . 1 . . . . 214 K CA . 16837 1 795 . 1 1 214 214 LYS CB C 13 32.82 . . 1 . . . . 214 K CB . 16837 1 796 . 1 1 214 214 LYS N N 15 120.65 . . 1 . . . . 214 K N . 16837 1 797 . 1 1 215 215 LYS H H 1 8.2410 . . 1 . . . . 215 K H . 16837 1 798 . 1 1 215 215 LYS CA C 13 56.66 . . 1 . . . . 215 K CA . 16837 1 799 . 1 1 215 215 LYS CB C 13 32.55 . . 1 . . . . 215 K CB . 16837 1 800 . 1 1 215 215 LYS N N 15 123.76 . . 1 . . . . 215 K N . 16837 1 801 . 1 1 216 216 ILE H H 1 8.1590 . . 1 . . . . 216 I H . 16837 1 802 . 1 1 216 216 ILE CA C 13 61.45 . . 1 . . . . 216 I CA . 16837 1 803 . 1 1 216 216 ILE CB C 13 38.19 . . 1 . . . . 216 I CB . 16837 1 804 . 1 1 216 216 ILE N N 15 125.90 . . 1 . . . . 216 I N . 16837 1 805 . 1 1 217 217 GLU H H 1 7.8580 . . 1 . . . . 217 E H . 16837 1 806 . 1 1 217 217 GLU CA C 13 58.20 . . 1 . . . . 217 E CA . 16837 1 807 . 1 1 217 217 GLU CB C 13 31.03 . . 1 . . . . 217 E CB . 16837 1 808 . 1 1 217 217 GLU N N 15 129.95 . . 1 . . . . 217 E N . 16837 1 stop_ save_