data_4836 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4836 _Entry.Title ; Complete 1H, 13C and 15N Backbone Assignments for the Hepatitis A Virus 3C Protease ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-09-19 _Entry.Accession_date 2000-09-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Trent Bjorndahl . C. . 4836 2 Scott Watson . M. . 4836 3 Carolyn Slupsky . M. . 4836 4 Leo Spyracopoulos . . . 4836 5 Brian Sykes . D. . 4836 6 David Wishart . S. . 4836 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4836 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 414 4836 '13C chemical shifts' 615 4836 '15N chemical shifts' 206 4836 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-01-13 . update author 'update of chemical shifts' 4836 2 . . 2000-11-09 . original author 'original release' 4836 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4836 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Complete 1H, 13C and 15N backbone assignments for the hepatitis A virus 3C protease ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 2 _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 187 _Citation.Page_last 188 _Citation.Year 2001 _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 Trent Bjorndahl . C. . 4836 1 2 M. Watson . Scott . 4836 1 3 Carolyn Slupsky . M. . 4836 1 4 Leo Spyracopoulos . . . 4836 1 5 Brian Sykes . D. . 4836 1 6 David Wishart . S. . 4836 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HAV3C _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HAV3C _Assembly.Entry_ID 4836 _Assembly.ID 1 _Assembly.Name 'Hepatitis A 3C Protease monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 23976.59 _Assembly.Enzyme_commission_number 3.4.22.28 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4836 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Hepatis A 3C Protease' 1 $HAV3C . . . native . . . . . 4836 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1QA7 . . . . . . 4836 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Hepatitis A 3C Protease monomer' system 4836 1 HAV3C abbreviation 4836 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID hydrolase 4836 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HAV3C _Entity.Sf_category entity _Entity.Sf_framecode HAV3C _Entity.Entry_ID 4836 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HAV3C _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 217 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 23976.59 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Proteolytic processes the RNA translated polyprotein of Hepatitis A viruses ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16837 . HAV_3C_protease_C24S . . . . . 100.00 217 100.00 100.00 1.72e-157 . . . . 4836 1 2 no PDB 1HAV . "Hepatitis A Virus 3c Proteinase" . . . . . 100.00 217 100.00 100.00 1.72e-157 . . . . 4836 1 3 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 2.59e-156 . . . . 4836 1 4 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 1.78e-157 . . . . 4836 1 5 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 1.78e-157 . . . . 4836 1 6 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 1.44e-153 . . . . 4836 1 7 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 1.44e-153 . . . . 4836 1 8 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 1.44e-153 . . . . 4836 1 9 no DBJ BAA35102 . "polyprotein [Hepatitis A virus]" . . . . . 100.00 2227 99.54 99.54 2.41e-141 . . . . 4836 1 10 no DBJ BAA35103 . "polyprotein [Hepatitis A virus]" . . . . . 100.00 2227 99.54 99.54 3.35e-141 . . . . 4836 1 11 no DBJ BAA35104 . "polyprotein [Hepatitis A virus]" . . . . . 100.00 2216 99.08 99.08 5.15e-140 . . . . 4836 1 12 no DBJ BAA35105 . "polyprotein [Hepatitis A virus]" . . . . . 100.00 2227 99.54 99.54 3.45e-141 . . . . 4836 1 13 no DBJ BAA35106 . "polyprotein [Hepatitis A virus]" . . . . . 100.00 2227 99.54 99.54 2.38e-141 . . . . 4836 1 14 no EMBL CAA33491 . "unnamed protein product [Hepatitis A virus]" . . . . . 100.00 891 99.08 99.54 8.46e-148 . . . . 4836 1 15 no EMBL CAA50195 . "viral polyprotein [Hepatitis A virus]" . . . . . 100.00 746 98.62 99.08 3.06e-148 . . . . 4836 1 16 no EMBL CAA53024 . "unnamed protein product [Hepatitis A virus]" . . . . . 100.00 2218 98.62 99.08 5.41e-140 . . . . 4836 1 17 no EMBL CAA53025 . "unnamed protein product [Hepatitis A virus]" . . . . . 100.00 2227 99.08 99.08 1.51e-140 . . . . 4836 1 18 no EMBL CAA53026 . "unnamed protein product [Hepatitis A virus]" . . . . . 100.00 2227 99.54 99.54 3.00e-141 . . . . 4836 1 19 no GB AAA45465 . "polyprotein a (alt.) [Hepatitis A virus]" . . . . . 100.00 2227 99.54 99.54 2.56e-141 . . . . 4836 1 20 no GB AAA45466 . "polyprotein b (alt.) [Hepatitis A virus]" . . . . . 100.00 2225 99.54 99.54 2.34e-141 . . . . 4836 1 21 no GB AAA45467 . "viral protein [Hepatitis A virus]" . . . . . 100.00 2226 99.08 99.54 1.05e-140 . . . . 4836 1 22 no GB AAA45468 . "viral protein [Hepatitis A virus]" . . . . . 100.00 2226 99.08 99.54 9.29e-141 . . . . 4836 1 23 no GB AAA45469 . "viral protein [Hepatitis A virus]" . . . . . 100.00 2226 98.62 99.08 2.34e-140 . . . . 4836 1 24 no PIR GNNYHB . "genome polyprotein - human hepatitis A virus (strain MBB)" . . . . . 100.00 2227 99.54 99.54 3.00e-141 . . . . 4836 1 25 no REF NP_041007 . "hypothetical protein HAVgp1 [Hepatitis A virus]" . . . . . 100.00 2227 99.54 99.54 2.56e-141 . . . . 4836 1 26 no REF NP_041008 . "hypothetical protein HAVgp2 [Hepatitis A virus]" . . . . . 100.00 2225 99.54 99.54 2.34e-141 . . . . 4836 1 27 no REF NP_740558 . "3C mature peptide [Hepatitis A virus]" . . . . . 100.00 219 99.54 99.54 9.73e-157 . . . . 4836 1 28 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 3.00e-141 . . . . 4836 1 29 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 7.55e-139 . . . . 4836 1 30 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 2.58e-141 . . . . 4836 1 31 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 2.56e-141 . . . . 4836 1 32 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 2.38e-141 . . . . 4836 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID HAV3C common 4836 1 HAV3C abbreviation 4836 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 . 4836 1 2 . THR . 4836 1 3 . LEU . 4836 1 4 . GLU . 4836 1 5 . ILE . 4836 1 6 . ALA . 4836 1 7 . GLY . 4836 1 8 . LEU . 4836 1 9 . VAL . 4836 1 10 . ARG . 4836 1 11 . LYS . 4836 1 12 . ASN . 4836 1 13 . LEU . 4836 1 14 . VAL . 4836 1 15 . GLN . 4836 1 16 . PHE . 4836 1 17 . GLY . 4836 1 18 . VAL . 4836 1 19 . GLY . 4836 1 20 . GLU . 4836 1 21 . LYS . 4836 1 22 . ASN . 4836 1 23 . GLY . 4836 1 24 . SER . 4836 1 25 . VAL . 4836 1 26 . ARG . 4836 1 27 . TRP . 4836 1 28 . VAL . 4836 1 29 . MET . 4836 1 30 . ASN . 4836 1 31 . ALA . 4836 1 32 . LEU . 4836 1 33 . GLY . 4836 1 34 . VAL . 4836 1 35 . LYS . 4836 1 36 . ASP . 4836 1 37 . ASP . 4836 1 38 . TRP . 4836 1 39 . LEU . 4836 1 40 . LEU . 4836 1 41 . VAL . 4836 1 42 . PRO . 4836 1 43 . SER . 4836 1 44 . HIS . 4836 1 45 . ALA . 4836 1 46 . TYR . 4836 1 47 . LYS . 4836 1 48 . PHE . 4836 1 49 . GLU . 4836 1 50 . LYS . 4836 1 51 . ASP . 4836 1 52 . TYR . 4836 1 53 . GLU . 4836 1 54 . MET . 4836 1 55 . MET . 4836 1 56 . GLU . 4836 1 57 . PHE . 4836 1 58 . TYR . 4836 1 59 . PHE . 4836 1 60 . ASN . 4836 1 61 . ARG . 4836 1 62 . GLY . 4836 1 63 . GLY . 4836 1 64 . THR . 4836 1 65 . TYR . 4836 1 66 . TYR . 4836 1 67 . SER . 4836 1 68 . ILE . 4836 1 69 . SER . 4836 1 70 . ALA . 4836 1 71 . GLY . 4836 1 72 . ASN . 4836 1 73 . VAL . 4836 1 74 . VAL . 4836 1 75 . ILE . 4836 1 76 . GLN . 4836 1 77 . SER . 4836 1 78 . LEU . 4836 1 79 . ASP . 4836 1 80 . VAL . 4836 1 81 . GLY . 4836 1 82 . PHE . 4836 1 83 . GLN . 4836 1 84 . ASP . 4836 1 85 . VAL . 4836 1 86 . VAL . 4836 1 87 . LEU . 4836 1 88 . MET . 4836 1 89 . LYS . 4836 1 90 . VAL . 4836 1 91 . PRO . 4836 1 92 . THR . 4836 1 93 . ILE . 4836 1 94 . PRO . 4836 1 95 . LYS . 4836 1 96 . PHE . 4836 1 97 . ARG . 4836 1 98 . ASP . 4836 1 99 . ILE . 4836 1 100 . THR . 4836 1 101 . GLN . 4836 1 102 . HIS . 4836 1 103 . PHE . 4836 1 104 . ILE . 4836 1 105 . LYS . 4836 1 106 . LYS . 4836 1 107 . GLY . 4836 1 108 . ASP . 4836 1 109 . VAL . 4836 1 110 . PRO . 4836 1 111 . ARG . 4836 1 112 . ALA . 4836 1 113 . LEU . 4836 1 114 . ASN . 4836 1 115 . ARG . 4836 1 116 . LEU . 4836 1 117 . ALA . 4836 1 118 . THR . 4836 1 119 . LEU . 4836 1 120 . VAL . 4836 1 121 . THR . 4836 1 122 . THR . 4836 1 123 . VAL . 4836 1 124 . ASN . 4836 1 125 . GLY . 4836 1 126 . THR . 4836 1 127 . PRO . 4836 1 128 . MET . 4836 1 129 . LEU . 4836 1 130 . ILE . 4836 1 131 . SER . 4836 1 132 . GLU . 4836 1 133 . GLY . 4836 1 134 . PRO . 4836 1 135 . LEU . 4836 1 136 . LYS . 4836 1 137 . MET . 4836 1 138 . GLU . 4836 1 139 . GLU . 4836 1 140 . LYS . 4836 1 141 . ALA . 4836 1 142 . THR . 4836 1 143 . TYR . 4836 1 144 . VAL . 4836 1 145 . HIS . 4836 1 146 . LYS . 4836 1 147 . LYS . 4836 1 148 . ASN . 4836 1 149 . ASP . 4836 1 150 . GLY . 4836 1 151 . THR . 4836 1 152 . THR . 4836 1 153 . VAL . 4836 1 154 . ASP . 4836 1 155 . LEU . 4836 1 156 . THR . 4836 1 157 . VAL . 4836 1 158 . ASP . 4836 1 159 . GLN . 4836 1 160 . ALA . 4836 1 161 . TRP . 4836 1 162 . ARG . 4836 1 163 . GLY . 4836 1 164 . LYS . 4836 1 165 . GLY . 4836 1 166 . GLU . 4836 1 167 . GLY . 4836 1 168 . LEU . 4836 1 169 . PRO . 4836 1 170 . GLY . 4836 1 171 . MET . 4836 1 172 . CYS . 4836 1 173 . GLY . 4836 1 174 . GLY . 4836 1 175 . ALA . 4836 1 176 . LEU . 4836 1 177 . VAL . 4836 1 178 . SER . 4836 1 179 . SER . 4836 1 180 . ASN . 4836 1 181 . GLN . 4836 1 182 . SER . 4836 1 183 . ILE . 4836 1 184 . GLN . 4836 1 185 . ASN . 4836 1 186 . ALA . 4836 1 187 . ILE . 4836 1 188 . LEU . 4836 1 189 . GLY . 4836 1 190 . ILE . 4836 1 191 . HIS . 4836 1 192 . VAL . 4836 1 193 . ALA . 4836 1 194 . GLY . 4836 1 195 . GLY . 4836 1 196 . ASN . 4836 1 197 . SER . 4836 1 198 . ILE . 4836 1 199 . LEU . 4836 1 200 . VAL . 4836 1 201 . ALA . 4836 1 202 . LYS . 4836 1 203 . LEU . 4836 1 204 . VAL . 4836 1 205 . THR . 4836 1 206 . GLN . 4836 1 207 . GLU . 4836 1 208 . MET . 4836 1 209 . PHE . 4836 1 210 . GLN . 4836 1 211 . ASN . 4836 1 212 . ILE . 4836 1 213 . ASP . 4836 1 214 . LYS . 4836 1 215 . LYS . 4836 1 216 . ILE . 4836 1 217 . GLU . 4836 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 4836 1 . THR 2 2 4836 1 . LEU 3 3 4836 1 . GLU 4 4 4836 1 . ILE 5 5 4836 1 . ALA 6 6 4836 1 . GLY 7 7 4836 1 . LEU 8 8 4836 1 . VAL 9 9 4836 1 . ARG 10 10 4836 1 . LYS 11 11 4836 1 . ASN 12 12 4836 1 . LEU 13 13 4836 1 . VAL 14 14 4836 1 . GLN 15 15 4836 1 . PHE 16 16 4836 1 . GLY 17 17 4836 1 . VAL 18 18 4836 1 . GLY 19 19 4836 1 . GLU 20 20 4836 1 . LYS 21 21 4836 1 . ASN 22 22 4836 1 . GLY 23 23 4836 1 . SER 24 24 4836 1 . VAL 25 25 4836 1 . ARG 26 26 4836 1 . TRP 27 27 4836 1 . VAL 28 28 4836 1 . MET 29 29 4836 1 . ASN 30 30 4836 1 . ALA 31 31 4836 1 . LEU 32 32 4836 1 . GLY 33 33 4836 1 . VAL 34 34 4836 1 . LYS 35 35 4836 1 . ASP 36 36 4836 1 . ASP 37 37 4836 1 . TRP 38 38 4836 1 . LEU 39 39 4836 1 . LEU 40 40 4836 1 . VAL 41 41 4836 1 . PRO 42 42 4836 1 . SER 43 43 4836 1 . HIS 44 44 4836 1 . ALA 45 45 4836 1 . TYR 46 46 4836 1 . LYS 47 47 4836 1 . PHE 48 48 4836 1 . GLU 49 49 4836 1 . LYS 50 50 4836 1 . ASP 51 51 4836 1 . TYR 52 52 4836 1 . GLU 53 53 4836 1 . MET 54 54 4836 1 . MET 55 55 4836 1 . GLU 56 56 4836 1 . PHE 57 57 4836 1 . TYR 58 58 4836 1 . PHE 59 59 4836 1 . ASN 60 60 4836 1 . ARG 61 61 4836 1 . GLY 62 62 4836 1 . GLY 63 63 4836 1 . THR 64 64 4836 1 . TYR 65 65 4836 1 . TYR 66 66 4836 1 . SER 67 67 4836 1 . ILE 68 68 4836 1 . SER 69 69 4836 1 . ALA 70 70 4836 1 . GLY 71 71 4836 1 . ASN 72 72 4836 1 . VAL 73 73 4836 1 . VAL 74 74 4836 1 . ILE 75 75 4836 1 . GLN 76 76 4836 1 . SER 77 77 4836 1 . LEU 78 78 4836 1 . ASP 79 79 4836 1 . VAL 80 80 4836 1 . GLY 81 81 4836 1 . PHE 82 82 4836 1 . GLN 83 83 4836 1 . ASP 84 84 4836 1 . VAL 85 85 4836 1 . VAL 86 86 4836 1 . LEU 87 87 4836 1 . MET 88 88 4836 1 . LYS 89 89 4836 1 . VAL 90 90 4836 1 . PRO 91 91 4836 1 . THR 92 92 4836 1 . ILE 93 93 4836 1 . PRO 94 94 4836 1 . LYS 95 95 4836 1 . PHE 96 96 4836 1 . ARG 97 97 4836 1 . ASP 98 98 4836 1 . ILE 99 99 4836 1 . THR 100 100 4836 1 . GLN 101 101 4836 1 . HIS 102 102 4836 1 . PHE 103 103 4836 1 . ILE 104 104 4836 1 . LYS 105 105 4836 1 . LYS 106 106 4836 1 . GLY 107 107 4836 1 . ASP 108 108 4836 1 . VAL 109 109 4836 1 . PRO 110 110 4836 1 . ARG 111 111 4836 1 . ALA 112 112 4836 1 . LEU 113 113 4836 1 . ASN 114 114 4836 1 . ARG 115 115 4836 1 . LEU 116 116 4836 1 . ALA 117 117 4836 1 . THR 118 118 4836 1 . LEU 119 119 4836 1 . VAL 120 120 4836 1 . THR 121 121 4836 1 . THR 122 122 4836 1 . VAL 123 123 4836 1 . ASN 124 124 4836 1 . GLY 125 125 4836 1 . THR 126 126 4836 1 . PRO 127 127 4836 1 . MET 128 128 4836 1 . LEU 129 129 4836 1 . ILE 130 130 4836 1 . SER 131 131 4836 1 . GLU 132 132 4836 1 . GLY 133 133 4836 1 . PRO 134 134 4836 1 . LEU 135 135 4836 1 . LYS 136 136 4836 1 . MET 137 137 4836 1 . GLU 138 138 4836 1 . GLU 139 139 4836 1 . LYS 140 140 4836 1 . ALA 141 141 4836 1 . THR 142 142 4836 1 . TYR 143 143 4836 1 . VAL 144 144 4836 1 . HIS 145 145 4836 1 . LYS 146 146 4836 1 . LYS 147 147 4836 1 . ASN 148 148 4836 1 . ASP 149 149 4836 1 . GLY 150 150 4836 1 . THR 151 151 4836 1 . THR 152 152 4836 1 . VAL 153 153 4836 1 . ASP 154 154 4836 1 . LEU 155 155 4836 1 . THR 156 156 4836 1 . VAL 157 157 4836 1 . ASP 158 158 4836 1 . GLN 159 159 4836 1 . ALA 160 160 4836 1 . TRP 161 161 4836 1 . ARG 162 162 4836 1 . GLY 163 163 4836 1 . LYS 164 164 4836 1 . GLY 165 165 4836 1 . GLU 166 166 4836 1 . GLY 167 167 4836 1 . LEU 168 168 4836 1 . PRO 169 169 4836 1 . GLY 170 170 4836 1 . MET 171 171 4836 1 . CYS 172 172 4836 1 . GLY 173 173 4836 1 . GLY 174 174 4836 1 . ALA 175 175 4836 1 . LEU 176 176 4836 1 . VAL 177 177 4836 1 . SER 178 178 4836 1 . SER 179 179 4836 1 . ASN 180 180 4836 1 . GLN 181 181 4836 1 . SER 182 182 4836 1 . ILE 183 183 4836 1 . GLN 184 184 4836 1 . ASN 185 185 4836 1 . ALA 186 186 4836 1 . ILE 187 187 4836 1 . LEU 188 188 4836 1 . GLY 189 189 4836 1 . ILE 190 190 4836 1 . HIS 191 191 4836 1 . VAL 192 192 4836 1 . ALA 193 193 4836 1 . GLY 194 194 4836 1 . GLY 195 195 4836 1 . ASN 196 196 4836 1 . SER 197 197 4836 1 . ILE 198 198 4836 1 . LEU 199 199 4836 1 . VAL 200 200 4836 1 . ALA 201 201 4836 1 . LYS 202 202 4836 1 . LEU 203 203 4836 1 . VAL 204 204 4836 1 . THR 205 205 4836 1 . GLN 206 206 4836 1 . GLU 207 207 4836 1 . MET 208 208 4836 1 . PHE 209 209 4836 1 . GLN 210 210 4836 1 . ASN 211 211 4836 1 . ILE 212 212 4836 1 . ASP 213 213 4836 1 . LYS 214 214 4836 1 . LYS 215 215 4836 1 . ILE 216 216 4836 1 . GLU 217 217 4836 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 4836 _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 $HAV3C . 39112 . . 'Hepatitis' 'Hepatitis A' HAV 52.0.3.0.001 Virus Flaviviridae Hepatitis . A . . . . . . . . . . . . . pHAV-3CEX . lac . . . . 4836 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 4836 _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 $HAV3C . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'MM294 and CT16' . . . . . . . . . . . . plasmid . . pHAV-3CEX . . . . . . 4836 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4836 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HAV3C [U-15N] . . 1 $HAV3C . . 1 . . mM . . . . 4836 1 2 KH2PO4 . . . . . . . 20 . . mM . . . . 4836 1 3 NaCl . . . . . . . 100 . . mM . . . . 4836 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4836 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HAV3C '[U-15N; U-13C]' . . 1 $HAV3C . . 1 . . mM . . . . 4836 2 2 KH2PO4 . . . . . . . 20 . . mM . . . . 4836 2 3 NaCl . . . . . . . 100 . . mM . . . . 4836 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4836 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HAV3C '[U-15N; U-13C; U-2H]' . . 1 $HAV3C . . 1 . . mM . . . . 4836 3 2 KH2PO4 . . . . . . . 20 . . mM . . . . 4836 3 3 NaCl . . . . . . . 100 . . mM . . . . 4836 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 4836 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HAV3C '[98% 15N]-Gly' . . 1 $HAV3C . . 1 . . mM . . . . 4836 4 2 KH2PO4 . . . . . . . 20 . . mM . . . . 4836 4 3 NaCl . . . . . . . 100 . . mM . . . . 4836 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 4836 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HAV3C '[98% 15N]-Leu' . . 1 $HAV3C . . 1 . . mM . . . . 4836 5 2 KH2PO4 . . . . . . . 20 . . mM . . . . 4836 5 3 NaCl . . . . . . . 100 . . mM . . . . 4836 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 4836 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HAV3C '[98% 15N]-Ile' . . 1 $HAV3C . . 1 . . mM . . . . 4836 6 2 KH2PO4 . . . . . . . 20 . . mM . . . . 4836 6 3 NaCl . . . . . . . 100 . . mM . . . . 4836 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 4836 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HAV3C '[98% 15N]-Val' . . 1 $HAV3C . . 1 . . mM . . . . 4836 7 2 KH2PO4 . . . . . . . 20 . . mM . . . . 4836 7 3 NaCl . . . . . . . 100 . . mM . . . . 4836 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 4836 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HAV3C '[98% 15N]-Lys' . . 1 $HAV3C . . 1 . . mM . . . . 4836 8 2 KH2PO4 . . . . . . . 20 . . mM . . . . 4836 8 3 NaCl . . . . . . . 100 . . mM . . . . 4836 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 4836 _Sample.ID 9 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HAV3C '[98% 15N]-Ala' . . 1 $HAV3C . . 1 . . mM . . . . 4836 9 2 KH2PO4 . . . . . . . 20 . . mM . . . . 4836 9 3 NaCl . . . . . . . 100 . . mM . . . . 4836 9 stop_ save_ save_sample_10 _Sample.Sf_category sample _Sample.Sf_framecode sample_10 _Sample.Entry_ID 4836 _Sample.ID 10 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HAV3C '[98% 15N]-Phe' . . 1 $HAV3C . . 1 . . mM . . . . 4836 10 2 KH2PO4 . . . . . . . 20 . . mM . . . . 4836 10 3 NaCl . . . . . . . 100 . . mM . . . . 4836 10 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 4836 _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 pH 5.4 0.1 pH 4836 1 temperature 298 1 K 4836 1 stop_ save_ ############################# # Purity of the molecules # ############################# save_molecule_purity_list _Entity_purity_list.Sf_category molecule_purity _Entity_purity_list.Sf_framecode molecule_purity_list _Entity_purity_list.Entry_ID 4836 _Entity_purity_list.ID 1 _Entity_purity_list.Details . loop_ _Entity_purity.ID _Entity_purity.Sample_ID _Entity_purity.Sample_label _Entity_purity.Entity_ID _Entity_purity.Entity_label _Entity_purity.Val _Entity_purity.Val_units _Entity_purity.Measurement_method _Entity_purity.Details _Entity_purity.Entry_ID _Entity_purity.Entity_purity_list_ID 1 1 $sample_1 1 $HAV3C 95 % 'SDS gel electrophoresis' . 4836 1 stop_ save_ ############################ # Computer software used # ############################ save_NMR-PIPE _Software.Sf_category software _Software.Sf_framecode NMR-PIPE _Software.Entry_ID 4836 _Software.ID 1 _Software.Name NMR-PIPE _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'specta processing' 4836 1 'peak picking' 4836 1 'spectral analysis' 4836 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 4836 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 4836 2 'spectral analysis' 4836 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 4836 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4836 _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 Varian Unity . 500 . . . 4836 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 4836 _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 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4836 1 stop_ save_ save_experiment_label _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode experiment_label _NMR_spec_expt.Entry_ID 4836 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4836 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 external direct . . external . . . . . . . 4836 1 C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.25144954 . . . . . . . . . 4836 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132900 . . . . . . . . . 4836 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts _Assigned_chem_shift_list.Entry_ID 4836 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; There are deuterium isotope effects for the CA, CB and N chemical shifts. These effects can result in an average upfield shifts of 0.43, 0.82 and 0.25 respectively (Gardner, K. H. et al, Biochemistry, 36, 1389-1401). ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4836 1 . . 2 $sample_2 . 4836 1 . . 3 $sample_3 . 4836 1 . . 4 $sample_4 . 4836 1 . . 5 $sample_5 . 4836 1 . . 6 $sample_6 . 4836 1 . . 7 $sample_7 . 4836 1 . . 8 $sample_8 . 4836 1 . . 9 $sample_9 . 4836 1 . . 10 $sample_10 . 4836 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER C C 13 172.47 0.2 . 1 . . . . . . . . 4836 1 2 . 1 1 1 1 SER CA C 13 56.89 0.2 . 1 . . . . . . . . 4836 1 3 . 1 1 1 1 SER CB C 13 63.73 0.2 . 1 . . . . . . . . 4836 1 4 . 1 1 2 2 THR H H 1 9.03 0.02 . 1 . . . . . . . . 4836 1 5 . 1 1 2 2 THR HA H 1 4.17 0.02 . 1 . . . . . . . . 4836 1 6 . 1 1 2 2 THR C C 13 175.52 0.2 . 1 . . . . . . . . 4836 1 7 . 1 1 2 2 THR CA C 13 66.50 0.2 . 1 . . . . . . . . 4836 1 8 . 1 1 2 2 THR CB C 13 68.01 0.2 . 1 . . . . . . . . 4836 1 9 . 1 1 2 2 THR N N 15 119.60 0.2 . 1 . . . . . . . . 4836 1 10 . 1 1 3 3 LEU H H 1 8.22 0.02 . 1 . . . . . . . . 4836 1 11 . 1 1 3 3 LEU HA H 1 3.97 0.02 . 1 . . . . . . . . 4836 1 12 . 1 1 3 3 LEU C C 13 179.89 0.2 . 1 . . . . . . . . 4836 1 13 . 1 1 3 3 LEU CA C 13 57.34 0.2 . 1 . . . . . . . . 4836 1 14 . 1 1 3 3 LEU CB C 13 40.43 0.2 . 1 . . . . . . . . 4836 1 15 . 1 1 3 3 LEU N N 15 119.47 0.2 . 1 . . . . . . . . 4836 1 16 . 1 1 4 4 GLU H H 1 7.75 0.02 . 1 . . . . . . . . 4836 1 17 . 1 1 4 4 GLU HA H 1 3.98 0.02 . 1 . . . . . . . . 4836 1 18 . 1 1 4 4 GLU C C 13 179.48 0.2 . 1 . . . . . . . . 4836 1 19 . 1 1 4 4 GLU CA C 13 58.67 0.2 . 1 . . . . . . . . 4836 1 20 . 1 1 4 4 GLU CB C 13 28.79 0.2 . 1 . . . . . . . . 4836 1 21 . 1 1 4 4 GLU N N 15 120.75 0.2 . 1 . . . . . . . . 4836 1 22 . 1 1 5 5 ILE H H 1 7.45 0.02 . 1 . . . . . . . . 4836 1 23 . 1 1 5 5 ILE HA H 1 4.11 0.02 . 1 . . . . . . . . 4836 1 24 . 1 1 5 5 ILE C C 13 178.50 0.2 . 1 . . . . . . . . 4836 1 25 . 1 1 5 5 ILE CA C 13 61.02 0.2 . 1 . . . . . . . . 4836 1 26 . 1 1 5 5 ILE CB C 13 34.25 0.2 . 1 . . . . . . . . 4836 1 27 . 1 1 5 5 ILE N N 15 119.72 0.2 . 1 . . . . . . . . 4836 1 28 . 1 1 6 6 ALA H H 1 9.15 0.02 . 1 . . . . . . . . 4836 1 29 . 1 1 6 6 ALA HA H 1 3.88 0.02 . 1 . . . . . . . . 4836 1 30 . 1 1 6 6 ALA C C 13 179.58 0.2 . 1 . . . . . . . . 4836 1 31 . 1 1 6 6 ALA CA C 13 55.05 0.2 . 1 . . . . . . . . 4836 1 32 . 1 1 6 6 ALA CB C 13 17.61 0.2 . 1 . . . . . . . . 4836 1 33 . 1 1 6 6 ALA N N 15 122.16 0.2 . 1 . . . . . . . . 4836 1 34 . 1 1 7 7 GLY H H 1 7.86 0.02 . 1 . . . . . . . . 4836 1 35 . 1 1 7 7 GLY HA2 H 1 3.93 0.02 . 1 . . . . . . . . 4836 1 36 . 1 1 7 7 GLY HA3 H 1 3.84 0.02 . 1 . . . . . . . . 4836 1 37 . 1 1 7 7 GLY C C 13 176.13 0.2 . 1 . . . . . . . . 4836 1 38 . 1 1 7 7 GLY CA C 13 46.69 0.2 . 1 . . . . . . . . 4836 1 39 . 1 1 7 7 GLY N N 15 104.03 0.2 . 1 . . . . . . . . 4836 1 40 . 1 1 8 8 LEU H H 1 7.31 0.02 . 1 . . . . . . . . 4836 1 41 . 1 1 8 8 LEU HA H 1 4.02 0.02 . 1 . . . . . . . . 4836 1 42 . 1 1 8 8 LEU C C 13 180.06 0.2 . 1 . . . . . . . . 4836 1 43 . 1 1 8 8 LEU CA C 13 57.13 0.2 . 1 . . . . . . . . 4836 1 44 . 1 1 8 8 LEU CB C 13 40.67 0.2 . 1 . . . . . . . . 4836 1 45 . 1 1 8 8 LEU N N 15 121.69 0.2 . 1 . . . . . . . . 4836 1 46 . 1 1 9 9 VAL H H 1 8.24 0.02 . 1 . . . . . . . . 4836 1 47 . 1 1 9 9 VAL HA H 1 4.36 0.02 . 1 . . . . . . . . 4836 1 48 . 1 1 9 9 VAL C C 13 178.09 0.2 . 1 . . . . . . . . 4836 1 49 . 1 1 9 9 VAL CA C 13 66.16 0.2 . 1 . . . . . . . . 4836 1 50 . 1 1 9 9 VAL CB C 13 30.93 0.2 . 1 . . . . . . . . 4836 1 51 . 1 1 9 9 VAL N N 15 118.24 0.2 . 1 . . . . . . . . 4836 1 52 . 1 1 10 10 ARG H H 1 8.61 0.02 . 1 . . . . . . . . 4836 1 53 . 1 1 10 10 ARG HA H 1 3.91 0.02 . 1 . . . . . . . . 4836 1 54 . 1 1 10 10 ARG C C 13 179.11 0.2 . 1 . . . . . . . . 4836 1 55 . 1 1 10 10 ARG CA C 13 59.52 0.2 . 1 . . . . . . . . 4836 1 56 . 1 1 10 10 ARG CB C 13 28.55 0.2 . 1 . . . . . . . . 4836 1 57 . 1 1 10 10 ARG N N 15 116.92 0.2 . 1 . . . . . . . . 4836 1 58 . 1 1 11 11 LYS H H 1 7.29 0.02 . 1 . . . . . . . . 4836 1 59 . 1 1 11 11 LYS HA H 1 4.26 0.02 . 1 . . . . . . . . 4836 1 60 . 1 1 11 11 LYS C C 13 176.59 0.2 . 1 . . . . . . . . 4836 1 61 . 1 1 11 11 LYS CA C 13 57.75 0.2 . 1 . . . . . . . . 4836 1 62 . 1 1 11 11 LYS CB C 13 31.40 0.2 . 1 . . . . . . . . 4836 1 63 . 1 1 11 11 LYS N N 15 115.62 0.2 . 1 . . . . . . . . 4836 1 64 . 1 1 12 12 ASN H H 1 7.61 0.02 . 1 . . . . . . . . 4836 1 65 . 1 1 12 12 ASN HA H 1 5.02 0.02 . 1 . . . . . . . . 4836 1 66 . 1 1 12 12 ASN C C 13 174.01 0.2 . 1 . . . . . . . . 4836 1 67 . 1 1 12 12 ASN CA C 13 51.97 0.2 . 1 . . . . . . . . 4836 1 68 . 1 1 12 12 ASN CB C 13 38.29 0.2 . 1 . . . . . . . . 4836 1 69 . 1 1 12 12 ASN N N 15 118.63 0.2 . 1 . . . . . . . . 4836 1 70 . 1 1 13 13 LEU H H 1 7.53 0.02 . 1 . . . . . . . . 4836 1 71 . 1 1 13 13 LEU HA H 1 4.96 0.02 . 1 . . . . . . . . 4836 1 72 . 1 1 13 13 LEU C C 13 177.19 0.2 . 1 . . . . . . . . 4836 1 73 . 1 1 13 13 LEU CA C 13 55.41 0.2 . 1 . . . . . . . . 4836 1 74 . 1 1 13 13 LEU CB C 13 42.57 0.2 . 1 . . . . . . . . 4836 1 75 . 1 1 13 13 LEU N N 15 125.20 0.2 . 1 . . . . . . . . 4836 1 76 . 1 1 14 14 VAL H H 1 9.17 0.02 . 1 . . . . . . . . 4836 1 77 . 1 1 14 14 VAL HA H 1 5.15 0.02 . 1 . . . . . . . . 4836 1 78 . 1 1 14 14 VAL C C 13 175.44 0.2 . 1 . . . . . . . . 4836 1 79 . 1 1 14 14 VAL CA C 13 58.35 0.2 . 1 . . . . . . . . 4836 1 80 . 1 1 14 14 VAL CB C 13 34.49 0.2 . 1 . . . . . . . . 4836 1 81 . 1 1 14 14 VAL N N 15 117.25 0.2 . 1 . . . . . . . . 4836 1 82 . 1 1 15 15 GLN H H 1 7.81 0.02 . 1 . . . . . . . . 4836 1 83 . 1 1 15 15 GLN HA H 1 5.10 0.02 . 1 . . . . . . . . 4836 1 84 . 1 1 15 15 GLN C C 13 174.72 0.2 . 1 . . . . . . . . 4836 1 85 . 1 1 15 15 GLN CA C 13 56.42 0.2 . 1 . . . . . . . . 4836 1 86 . 1 1 15 15 GLN CB C 13 30.90 0.2 . 1 . . . . . . . . 4836 1 87 . 1 1 15 15 GLN N N 15 118.25 0.2 . 1 . . . . . . . . 4836 1 88 . 1 1 16 16 PHE H H 1 8.84 0.02 . 1 . . . . . . . . 4836 1 89 . 1 1 16 16 PHE HA H 1 5.24 0.02 . 1 . . . . . . . . 4836 1 90 . 1 1 16 16 PHE C C 13 175.63 0.2 . 1 . . . . . . . . 4836 1 91 . 1 1 16 16 PHE CA C 13 54.06 0.2 . 1 . . . . . . . . 4836 1 92 . 1 1 16 16 PHE CB C 13 33.54 0.2 . 1 . . . . . . . . 4836 1 93 . 1 1 16 16 PHE N N 15 122.51 0.2 . 1 . . . . . . . . 4836 1 94 . 1 1 17 17 GLY H H 1 8.67 0.02 . 1 . . . . . . . . 4836 1 95 . 1 1 17 17 GLY C C 13 169.63 0.2 . 1 . . . . . . . . 4836 1 96 . 1 1 17 17 GLY CA C 13 43.76 0.2 . 1 . . . . . . . . 4836 1 97 . 1 1 17 17 GLY N N 15 109.99 0.2 . 1 . . . . . . . . 4836 1 98 . 1 1 18 18 VAL H H 1 8.08 0.02 . 1 . . . . . . . . 4836 1 99 . 1 1 18 18 VAL HA H 1 5.24 0.02 . 1 . . . . . . . . 4836 1 100 . 1 1 18 18 VAL C C 13 175.40 0.2 . 1 . . . . . . . . 4836 1 101 . 1 1 18 18 VAL CA C 13 58.57 0.2 . 1 . . . . . . . . 4836 1 102 . 1 1 18 18 VAL CB C 13 34.97 0.2 . 1 . . . . . . . . 4836 1 103 . 1 1 18 18 VAL N N 15 112.74 0.2 . 1 . . . . . . . . 4836 1 104 . 1 1 19 19 GLY H H 1 8.94 0.02 . 1 . . . . . . . . 4836 1 105 . 1 1 19 19 GLY C C 13 172.47 0.2 . 1 . . . . . . . . 4836 1 106 . 1 1 19 19 GLY CA C 13 45.35 0.2 . 1 . . . . . . . . 4836 1 107 . 1 1 19 19 GLY N N 15 110.22 0.2 . 1 . . . . . . . . 4836 1 108 . 1 1 20 20 GLU H H 1 8.46 0.02 . 1 . . . . . . . . 4836 1 109 . 1 1 20 20 GLU HA H 1 4.71 0.02 . 1 . . . . . . . . 4836 1 110 . 1 1 20 20 GLU C C 13 177.87 0.2 . 1 . . . . . . . . 4836 1 111 . 1 1 20 20 GLU CA C 13 54.60 0.2 . 1 . . . . . . . . 4836 1 112 . 1 1 20 20 GLU CB C 13 31.16 0.2 . 1 . . . . . . . . 4836 1 113 . 1 1 20 20 GLU N N 15 120.24 0.2 . 1 . . . . . . . . 4836 1 114 . 1 1 21 21 LYS H H 1 8.93 0.02 . 1 . . . . . . . . 4836 1 115 . 1 1 21 21 LYS HA H 1 3.93 0.02 . 1 . . . . . . . . 4836 1 116 . 1 1 21 21 LYS C C 13 177.12 0.2 . 1 . . . . . . . . 4836 1 117 . 1 1 21 21 LYS CA C 13 58.04 0.2 . 1 . . . . . . . . 4836 1 118 . 1 1 21 21 LYS CB C 13 31.40 0.2 . 1 . . . . . . . . 4836 1 119 . 1 1 21 21 LYS N N 15 123.48 0.2 . 1 . . . . . . . . 4836 1 120 . 1 1 22 22 ASN H H 1 8.55 0.02 . 1 . . . . . . . . 4836 1 121 . 1 1 22 22 ASN HA H 1 4.62 0.02 . 1 . . . . . . . . 4836 1 122 . 1 1 22 22 ASN C C 13 174.22 0.2 . 1 . . . . . . . . 4836 1 123 . 1 1 22 22 ASN CA C 13 53.55 0.2 . 1 . . . . . . . . 4836 1 124 . 1 1 22 22 ASN CB C 13 37.34 0.2 . 1 . . . . . . . . 4836 1 125 . 1 1 22 22 ASN N N 15 116.99 0.2 . 1 . . . . . . . . 4836 1 126 . 1 1 23 23 GLY H H 1 7.94 0.02 . 1 . . . . . . . . 4836 1 127 . 1 1 23 23 GLY HA2 H 1 4.16 0.02 . 5 . . . . . . . . 4836 1 128 . 1 1 23 23 GLY HA3 H 1 3.98 0.02 . 5 . . . . . . . . 4836 1 129 . 1 1 23 23 GLY C C 13 173.90 0.2 . 1 . . . . . . . . 4836 1 130 . 1 1 23 23 GLY CA C 13 44.30 0.2 . 1 . . . . . . . . 4836 1 131 . 1 1 23 23 GLY N N 15 107.32 0.2 . 1 . . . . . . . . 4836 1 132 . 1 1 24 24 SER H H 1 8.03 0.02 . 1 . . . . . . . . 4836 1 133 . 1 1 24 24 SER HA H 1 4.40 0.02 . 1 . . . . . . . . 4836 1 134 . 1 1 24 24 SER C C 13 173.11 0.2 . 1 . . . . . . . . 4836 1 135 . 1 1 24 24 SER CA C 13 57.43 0.2 . 1 . . . . . . . . 4836 1 136 . 1 1 24 24 SER CB C 13 63.97 0.2 . 1 . . . . . . . . 4836 1 137 . 1 1 24 24 SER N N 15 116.01 0.2 . 1 . . . . . . . . 4836 1 138 . 1 1 25 25 VAL H H 1 7.97 0.02 . 1 . . . . . . . . 4836 1 139 . 1 1 25 25 VAL HA H 1 3.43 0.02 . 1 . . . . . . . . 4836 1 140 . 1 1 25 25 VAL C C 13 174.48 0.2 . 1 . . . . . . . . 4836 1 141 . 1 1 25 25 VAL CA C 13 61.19 0.2 . 1 . . . . . . . . 4836 1 142 . 1 1 25 25 VAL CB C 13 32.11 0.2 . 1 . . . . . . . . 4836 1 143 . 1 1 25 25 VAL N N 15 122.06 0.2 . 1 . . . . . . . . 4836 1 144 . 1 1 26 26 ARG H H 1 8.20 0.02 . 1 . . . . . . . . 4836 1 145 . 1 1 26 26 ARG HA H 1 4.35 0.02 . 1 . . . . . . . . 4836 1 146 . 1 1 26 26 ARG C C 13 174.47 0.2 . 1 . . . . . . . . 4836 1 147 . 1 1 26 26 ARG CA C 13 53.74 0.2 . 1 . . . . . . . . 4836 1 148 . 1 1 26 26 ARG CB C 13 30.21 0.2 . 1 . . . . . . . . 4836 1 149 . 1 1 26 26 ARG N N 15 127.54 0.2 . 1 . . . . . . . . 4836 1 150 . 1 1 27 27 TRP H H 1 8.58 0.02 . 1 . . . . . . . . 4836 1 151 . 1 1 27 27 TRP HA H 1 4.57 0.02 . 1 . . . . . . . . 4836 1 152 . 1 1 27 27 TRP C C 13 177.10 0.2 . 1 . . . . . . . . 4836 1 153 . 1 1 27 27 TRP CA C 13 57.03 0.2 . 1 . . . . . . . . 4836 1 154 . 1 1 27 27 TRP CB C 13 28.07 0.2 . 1 . . . . . . . . 4836 1 155 . 1 1 27 27 TRP N N 15 128.14 0.2 . 1 . . . . . . . . 4836 1 156 . 1 1 28 28 VAL H H 1 9.08 0.02 . 1 . . . . . . . . 4836 1 157 . 1 1 28 28 VAL HA H 1 4.58 0.02 . 1 . . . . . . . . 4836 1 158 . 1 1 28 28 VAL C C 13 175.84 0.2 . 1 . . . . . . . . 4836 1 159 . 1 1 28 28 VAL CA C 13 63.55 0.2 . 1 . . . . . . . . 4836 1 160 . 1 1 28 28 VAL CB C 13 34.49 0.2 . 1 . . . . . . . . 4836 1 161 . 1 1 28 28 VAL N N 15 120.69 0.2 . 1 . . . . . . . . 4836 1 162 . 1 1 29 29 MET H H 1 8.09 0.02 . 1 . . . . . . . . 4836 1 163 . 1 1 29 29 MET HA H 1 4.45 0.02 . 1 . . . . . . . . 4836 1 164 . 1 1 29 29 MET C C 13 173.36 0.2 . 1 . . . . . . . . 4836 1 165 . 1 1 29 29 MET CA C 13 56.06 0.2 . 1 . . . . . . . . 4836 1 166 . 1 1 29 29 MET CB C 13 29.26 0.2 . 1 . . . . . . . . 4836 1 167 . 1 1 29 29 MET N N 15 113.54 0.2 . 1 . . . . . . . . 4836 1 168 . 1 1 30 30 ASN H H 1 8.51 0.02 . 1 . . . . . . . . 4836 1 169 . 1 1 30 30 ASN HA H 1 5.77 0.02 . 1 . . . . . . . . 4836 1 170 . 1 1 30 30 ASN C C 13 171.78 0.2 . 1 . . . . . . . . 4836 1 171 . 1 1 30 30 ASN CA C 13 52.61 0.2 . 1 . . . . . . . . 4836 1 172 . 1 1 30 30 ASN CB C 13 42.10 0.2 . 1 . . . . . . . . 4836 1 173 . 1 1 30 30 ASN N N 15 119.40 0.2 . 1 . . . . . . . . 4836 1 174 . 1 1 31 31 ALA H H 1 9.14 0.02 . 1 . . . . . . . . 4836 1 175 . 1 1 31 31 ALA HA H 1 4.91 0.02 . 1 . . . . . . . . 4836 1 176 . 1 1 31 31 ALA C C 13 176.79 0.2 . 1 . . . . . . . . 4836 1 177 . 1 1 31 31 ALA CA C 13 50.78 0.2 . 1 . . . . . . . . 4836 1 178 . 1 1 31 31 ALA CB C 13 22.84 0.2 . 1 . . . . . . . . 4836 1 179 . 1 1 31 31 ALA N N 15 117.25 0.2 . 1 . . . . . . . . 4836 1 180 . 1 1 32 32 LEU H H 1 9.63 0.02 . 1 . . . . . . . . 4836 1 181 . 1 1 32 32 LEU HA H 1 5.22 0.02 . 1 . . . . . . . . 4836 1 182 . 1 1 32 32 LEU C C 13 176.55 0.2 . 1 . . . . . . . . 4836 1 183 . 1 1 32 32 LEU CA C 13 54.44 0.2 . 1 . . . . . . . . 4836 1 184 . 1 1 32 32 LEU CB C 13 44.95 0.2 . 1 . . . . . . . . 4836 1 185 . 1 1 32 32 LEU N N 15 120.04 0.2 . 1 . . . . . . . . 4836 1 186 . 1 1 33 33 GLY H H 1 7.89 0.02 . 1 . . . . . . . . 4836 1 187 . 1 1 33 33 GLY C C 13 174.05 0.2 . 1 . . . . . . . . 4836 1 188 . 1 1 33 33 GLY CA C 13 44.71 0.2 . 1 . . . . . . . . 4836 1 189 . 1 1 33 33 GLY N N 15 111.69 0.2 . 1 . . . . . . . . 4836 1 190 . 1 1 34 34 VAL H H 1 8.29 0.02 . 1 . . . . . . . . 4836 1 191 . 1 1 34 34 VAL HA H 1 4.21 0.02 . 1 . . . . . . . . 4836 1 192 . 1 1 34 34 VAL C C 13 174.01 0.2 . 1 . . . . . . . . 4836 1 193 . 1 1 34 34 VAL CA C 13 60.73 0.2 . 1 . . . . . . . . 4836 1 194 . 1 1 34 34 VAL CB C 13 32.35 0.2 . 1 . . . . . . . . 4836 1 195 . 1 1 34 34 VAL N N 15 124.03 0.2 . 1 . . . . . . . . 4836 1 196 . 1 1 35 35 LYS H H 1 6.76 0.02 . 1 . . . . . . . . 4836 1 197 . 1 1 35 35 LYS HA H 1 3.99 0.02 . 1 . . . . . . . . 4836 1 198 . 1 1 35 35 LYS C C 13 173.96 0.2 . 1 . . . . . . . . 4836 1 199 . 1 1 35 35 LYS CA C 13 56.86 0.2 . 1 . . . . . . . . 4836 1 200 . 1 1 35 35 LYS CB C 13 32.59 0.2 . 1 . . . . . . . . 4836 1 201 . 1 1 35 35 LYS N N 15 113.71 0.2 . 1 . . . . . . . . 4836 1 202 . 1 1 36 36 ASP H H 1 9.12 0.02 . 1 . . . . . . . . 4836 1 203 . 1 1 36 36 ASP HA H 1 4.26 0.02 . 1 . . . . . . . . 4836 1 204 . 1 1 36 36 ASP C C 13 173.02 0.2 . 1 . . . . . . . . 4836 1 205 . 1 1 36 36 ASP CA C 13 56.57 0.2 . 1 . . . . . . . . 4836 1 206 . 1 1 36 36 ASP CB C 13 38.77 0.2 . 1 . . . . . . . . 4836 1 207 . 1 1 36 36 ASP N N 15 123.46 0.2 . 1 . . . . . . . . 4836 1 208 . 1 1 37 37 ASP H H 1 8.85 0.02 . 1 . . . . . . . . 4836 1 209 . 1 1 37 37 ASP HA H 1 4.73 0.02 . 1 . . . . . . . . 4836 1 210 . 1 1 37 37 ASP CA C 13 51.18 0.2 . 1 . . . . . . . . 4836 1 211 . 1 1 37 37 ASP CB C 13 37.58 0.2 . 1 . . . . . . . . 4836 1 212 . 1 1 37 37 ASP N N 15 121.69 0.2 . 1 . . . . . . . . 4836 1 213 . 1 1 38 38 TRP C C 13 173.21 0.2 . 1 . . . . . . . . 4836 1 214 . 1 1 38 38 TRP CA C 13 54.08 0.2 . 1 . . . . . . . . 4836 1 215 . 1 1 38 38 TRP CB C 13 32.83 0.2 . 1 . . . . . . . . 4836 1 216 . 1 1 39 39 LEU H H 1 8.87 0.02 . 1 . . . . . . . . 4836 1 217 . 1 1 39 39 LEU HA H 1 4.76 0.02 . 1 . . . . . . . . 4836 1 218 . 1 1 39 39 LEU C C 13 176.05 0.2 . 1 . . . . . . . . 4836 1 219 . 1 1 39 39 LEU CA C 13 53.78 0.2 . 1 . . . . . . . . 4836 1 220 . 1 1 39 39 LEU CB C 13 45.66 0.0 . 1 . . . . . . . . 4836 1 221 . 1 1 39 39 LEU N N 15 130.92 0.2 . 1 . . . . . . . . 4836 1 222 . 1 1 40 40 LEU H H 1 9.09 0.02 . 1 . . . . . . . . 4836 1 223 . 1 1 40 40 LEU HA H 1 5.48 0.02 . 1 . . . . . . . . 4836 1 224 . 1 1 40 40 LEU C C 13 174.43 0.2 . 1 . . . . . . . . 4836 1 225 . 1 1 40 40 LEU CA C 13 52.96 0.2 . 1 . . . . . . . . 4836 1 226 . 1 1 40 40 LEU CB C 13 43.54 0.2 . 1 . . . . . . . . 4836 1 227 . 1 1 40 40 LEU N N 15 119.40 0.2 . 1 . . . . . . . . 4836 1 228 . 1 1 41 41 VAL H H 1 9.23 0.02 . 1 . . . . . . . . 4836 1 229 . 1 1 41 41 VAL HA H 1 4.40 0.02 . 1 . . . . . . . . 4836 1 230 . 1 1 41 41 VAL CA C 13 60.84 0.2 . 1 . . . . . . . . 4836 1 231 . 1 1 41 41 VAL CB C 13 33.54 0.2 . 1 . . . . . . . . 4836 1 232 . 1 1 41 41 VAL N N 15 126.69 0.2 . 1 . . . . . . . . 4836 1 233 . 1 1 42 42 PRO C C 13 174.64 0.2 . 1 . . . . . . . . 4836 1 234 . 1 1 42 42 PRO CA C 13 61.87 0.2 . 1 . . . . . . . . 4836 1 235 . 1 1 42 42 PRO CB C 13 29.26 0.2 . 1 . . . . . . . . 4836 1 236 . 1 1 43 43 SER H H 1 8.58 0.02 . 1 . . . . . . . . 4836 1 237 . 1 1 43 43 SER HA H 1 4.31 0.02 . 1 . . . . . . . . 4836 1 238 . 1 1 43 43 SER C C 13 176.85 0.2 . 1 . . . . . . . . 4836 1 239 . 1 1 43 43 SER CA C 13 60.55 0.2 . 1 . . . . . . . . 4836 1 240 . 1 1 43 43 SER CB C 13 63.02 0.2 . 1 . . . . . . . . 4836 1 241 . 1 1 43 43 SER N N 15 125.56 0.2 . 1 . . . . . . . . 4836 1 242 . 1 1 44 44 HIS H H 1 9.26 0.02 . 1 . . . . . . . . 4836 1 243 . 1 1 44 44 HIS HA H 1 4.54 0.02 . 1 . . . . . . . . 4836 1 244 . 1 1 44 44 HIS C C 13 174.09 0.2 . 1 . . . . . . . . 4836 1 245 . 1 1 44 44 HIS CA C 13 57.73 0.2 . 1 . . . . . . . . 4836 1 246 . 1 1 44 44 HIS CB C 13 26.01 0.2 . 1 . . . . . . . . 4836 1 247 . 1 1 44 44 HIS N N 15 119.98 0.2 . 1 . . . . . . . . 4836 1 248 . 1 1 45 45 ALA H H 1 7.61 0.02 . 1 . . . . . . . . 4836 1 249 . 1 1 45 45 ALA HA H 1 4.02 0.02 . 1 . . . . . . . . 4836 1 250 . 1 1 45 45 ALA C C 13 176.33 0.2 . 1 . . . . . . . . 4836 1 251 . 1 1 45 45 ALA CA C 13 54.22 0.2 . 1 . . . . . . . . 4836 1 252 . 1 1 45 45 ALA CB C 13 19.26 0.2 . 1 . . . . . . . . 4836 1 253 . 1 1 45 45 ALA N N 15 122.11 0.2 . 1 . . . . . . . . 4836 1 254 . 1 1 46 46 TYR H H 1 6.76 0.02 . 1 . . . . . . . . 4836 1 255 . 1 1 46 46 TYR HA H 1 5.01 0.02 . 1 . . . . . . . . 4836 1 256 . 1 1 46 46 TYR C C 13 176.27 0.2 . 1 . . . . . . . . 4836 1 257 . 1 1 46 46 TYR CA C 13 56.63 0.2 . 1 . . . . . . . . 4836 1 258 . 1 1 46 46 TYR CB C 13 41.35 0.2 . 1 . . . . . . . . 4836 1 259 . 1 1 46 46 TYR N N 15 108.20 0.2 . 1 . . . . . . . . 4836 1 260 . 1 1 47 47 LYS H H 1 7.06 0.02 . 1 . . . . . . . . 4836 1 261 . 1 1 47 47 LYS HA H 1 3.93 0.02 . 1 . . . . . . . . 4836 1 262 . 1 1 47 47 LYS C C 13 175.70 0.2 . 1 . . . . . . . . 4836 1 263 . 1 1 47 47 LYS CA C 13 57.27 0.2 . 1 . . . . . . . . 4836 1 264 . 1 1 47 47 LYS CB C 13 31.16 0.2 . 1 . . . . . . . . 4836 1 265 . 1 1 47 47 LYS N N 15 120.22 0.2 . 1 . . . . . . . . 4836 1 266 . 1 1 48 48 PHE H H 1 8.61 0.02 . 1 . . . . . . . . 4836 1 267 . 1 1 48 48 PHE HA H 1 4.63 0.02 . 1 . . . . . . . . 4836 1 268 . 1 1 48 48 PHE C C 13 175.66 0.2 . 1 . . . . . . . . 4836 1 269 . 1 1 48 48 PHE CA C 13 56.97 0.2 . 1 . . . . . . . . 4836 1 270 . 1 1 48 48 PHE CB C 13 37.34 0.2 . 1 . . . . . . . . 4836 1 271 . 1 1 48 48 PHE N N 15 115.75 0.2 . 1 . . . . . . . . 4836 1 272 . 1 1 49 49 GLU H H 1 7.46 0.02 . 1 . . . . . . . . 4836 1 273 . 1 1 49 49 GLU HA H 1 4.54 0.02 . 1 . . . . . . . . 4836 1 274 . 1 1 49 49 GLU C C 13 176.89 0.2 . 1 . . . . . . . . 4836 1 275 . 1 1 49 49 GLU CA C 13 54.14 0.2 . 1 . . . . . . . . 4836 1 276 . 1 1 49 49 GLU CB C 13 28.86 0.2 . 1 . . . . . . . . 4836 1 277 . 1 1 49 49 GLU N N 15 119.23 0.2 . 1 . . . . . . . . 4836 1 278 . 1 1 50 50 LYS H H 1 8.79 0.02 . 1 . . . . . . . . 4836 1 279 . 1 1 50 50 LYS HA H 1 4.16 0.02 . 1 . . . . . . . . 4836 1 280 . 1 1 50 50 LYS C C 13 176.79 0.2 . 1 . . . . . . . . 4836 1 281 . 1 1 50 50 LYS CA C 13 57.03 0.2 . 1 . . . . . . . . 4836 1 282 . 1 1 50 50 LYS CB C 13 31.64 0.2 . 1 . . . . . . . . 4836 1 283 . 1 1 50 50 LYS N N 15 124.78 0.2 . 1 . . . . . . . . 4836 1 284 . 1 1 51 51 ASP H H 1 8.95 0.02 . 1 . . . . . . . . 4836 1 285 . 1 1 51 51 ASP HA H 1 4.44 0.02 . 1 . . . . . . . . 4836 1 286 . 1 1 51 51 ASP C C 13 177.85 0.2 . 1 . . . . . . . . 4836 1 287 . 1 1 51 51 ASP CA C 13 54.68 0.2 . 1 . . . . . . . . 4836 1 288 . 1 1 51 51 ASP CB C 13 38.77 0.2 . 1 . . . . . . . . 4836 1 289 . 1 1 51 51 ASP N N 15 119.64 0.2 . 1 . . . . . . . . 4836 1 290 . 1 1 52 52 TYR H H 1 7.53 0.02 . 1 . . . . . . . . 4836 1 291 . 1 1 52 52 TYR HA H 1 4.39 0.02 . 1 . . . . . . . . 4836 1 292 . 1 1 52 52 TYR C C 13 176.81 0.2 . 1 . . . . . . . . 4836 1 293 . 1 1 52 52 TYR CA C 13 60.04 0.2 . 1 . . . . . . . . 4836 1 294 . 1 1 52 52 TYR CB C 13 37.34 0.2 . 1 . . . . . . . . 4836 1 295 . 1 1 52 52 TYR N N 15 117.69 0.2 . 1 . . . . . . . . 4836 1 296 . 1 1 53 53 GLU H H 1 8.42 0.02 . 1 . . . . . . . . 4836 1 297 . 1 1 53 53 GLU HA H 1 4.73 0.02 . 1 . . . . . . . . 4836 1 298 . 1 1 53 53 GLU C C 13 176.99 0.2 . 1 . . . . . . . . 4836 1 299 . 1 1 53 53 GLU CA C 13 58.19 0.2 . 1 . . . . . . . . 4836 1 300 . 1 1 53 53 GLU CB C 13 27.36 0.2 . 1 . . . . . . . . 4836 1 301 . 1 1 53 53 GLU N N 15 118.42 0.2 . 1 . . . . . . . . 4836 1 302 . 1 1 54 54 MET H H 1 7.69 0.02 . 1 . . . . . . . . 4836 1 303 . 1 1 54 54 MET HA H 1 4.49 0.02 . 1 . . . . . . . . 4836 1 304 . 1 1 54 54 MET C C 13 173.52 0.2 . 1 . . . . . . . . 4836 1 305 . 1 1 54 54 MET CA C 13 54.34 0.2 . 1 . . . . . . . . 4836 1 306 . 1 1 54 54 MET CB C 13 31.88 0.2 . 1 . . . . . . . . 4836 1 307 . 1 1 54 54 MET N N 15 115.54 0.2 . 1 . . . . . . . . 4836 1 308 . 1 1 55 55 MET CA C 13 54.34 0.2 . 1 . . . . . . . . 4836 1 309 . 1 1 55 55 MET CB C 13 33.54 0.2 . 1 . . . . . . . . 4836 1 310 . 1 1 55 55 MET N N 15 114.76 0.2 . 1 . . . . . . . . 4836 1 311 . 1 1 55 55 MET H H 1 7.23 0.02 . 1 . . . . . . . . 4836 1 312 . 1 1 56 56 GLU C C 13 174.58 0.2 . 1 . . . . . . . . 4836 1 313 . 1 1 56 56 GLU CA C 13 55.81 0.2 . 1 . . . . . . . . 4836 1 314 . 1 1 57 57 PHE H H 1 9.33 0.02 . 1 . . . . . . . . 4836 1 315 . 1 1 57 57 PHE HA H 1 5.95 0.02 . 1 . . . . . . . . 4836 1 316 . 1 1 57 57 PHE C C 13 173.73 0.2 . 1 . . . . . . . . 4836 1 317 . 1 1 57 57 PHE CA C 13 55.15 0.2 . 1 . . . . . . . . 4836 1 318 . 1 1 57 57 PHE CB C 13 42.34 0.2 . 1 . . . . . . . . 4836 1 319 . 1 1 57 57 PHE N N 15 115.88 0.2 . 1 . . . . . . . . 4836 1 320 . 1 1 58 58 TYR H H 1 8.56 0.02 . 1 . . . . . . . . 4836 1 321 . 1 1 58 58 TYR HA H 1 5.34 0.02 . 1 . . . . . . . . 4836 1 322 . 1 1 58 58 TYR C C 13 175.03 0.2 . 1 . . . . . . . . 4836 1 323 . 1 1 58 58 TYR CA C 13 55.81 0.2 . 1 . . . . . . . . 4836 1 324 . 1 1 58 58 TYR N N 15 123.10 0.2 . 1 . . . . . . . . 4836 1 325 . 1 1 59 59 PHE H H 1 9.24 0.02 . 1 . . . . . . . . 4836 1 326 . 1 1 59 59 PHE HA H 1 5.42 0.02 . 1 . . . . . . . . 4836 1 327 . 1 1 59 59 PHE C C 13 175.68 0.2 . 1 . . . . . . . . 4836 1 328 . 1 1 59 59 PHE CA C 13 55.15 0.2 . 1 . . . . . . . . 4836 1 329 . 1 1 59 59 PHE CB C 13 42.10 0.2 . 1 . . . . . . . . 4836 1 330 . 1 1 59 59 PHE N N 15 123.87 0.2 . 1 . . . . . . . . 4836 1 331 . 1 1 60 60 ASN H H 1 9.03 0.02 . 1 . . . . . . . . 4836 1 332 . 1 1 60 60 ASN HA H 1 5.42 0.02 . 1 . . . . . . . . 4836 1 333 . 1 1 60 60 ASN C C 13 175.56 0.2 . 1 . . . . . . . . 4836 1 334 . 1 1 60 60 ASN CA C 13 51.45 0.2 . 1 . . . . . . . . 4836 1 335 . 1 1 60 60 ASN CB C 13 38.53 0.2 . 1 . . . . . . . . 4836 1 336 . 1 1 60 60 ASN N N 15 120.99 0.2 . 1 . . . . . . . . 4836 1 337 . 1 1 61 61 ARG H H 1 9.02 0.02 . 1 . . . . . . . . 4836 1 338 . 1 1 61 61 ARG HA H 1 5.05 0.02 . 1 . . . . . . . . 4836 1 339 . 1 1 61 61 ARG C C 13 176.41 0.2 . 1 . . . . . . . . 4836 1 340 . 1 1 61 61 ARG CA C 13 53.99 0.2 . 1 . . . . . . . . 4836 1 341 . 1 1 61 61 ARG CB C 13 31.40 0.2 . 1 . . . . . . . . 4836 1 342 . 1 1 61 61 ARG N N 15 127.30 0.2 . 1 . . . . . . . . 4836 1 343 . 1 1 62 62 GLY H H 1 9.14 0.02 . 1 . . . . . . . . 4836 1 344 . 1 1 62 62 GLY HA2 H 1 4.07 0.02 . 1 . . . . . . . . 4836 1 345 . 1 1 62 62 GLY HA3 H 1 4.07 0.2 . 1 . . . . . . . . 4836 1 346 . 1 1 62 62 GLY C C 13 174.96 0.2 . 1 . . . . . . . . 4836 1 347 . 1 1 62 62 GLY CA C 13 46.79 0.2 . 1 . . . . . . . . 4836 1 348 . 1 1 62 62 GLY N N 15 116.34 0.2 . 1 . . . . . . . . 4836 1 349 . 1 1 63 63 GLY H H 1 8.38 0.02 . 1 . . . . . . . . 4836 1 350 . 1 1 63 63 GLY HA2 H 1 3.65 0.02 . 1 . . . . . . . . 4836 1 351 . 1 1 63 63 GLY HA3 H 1 4.35 0.02 . 1 . . . . . . . . 4836 1 352 . 1 1 63 63 GLY C C 13 173.87 0.2 . 1 . . . . . . . . 4836 1 353 . 1 1 63 63 GLY CA C 13 44.71 0.2 . 1 . . . . . . . . 4836 1 354 . 1 1 63 63 GLY N N 15 107.79 0.2 . 1 . . . . . . . . 4836 1 355 . 1 1 64 64 THR H H 1 7.41 0.02 . 1 . . . . . . . . 4836 1 356 . 1 1 64 64 THR HA H 1 4.21 0.02 . 1 . . . . . . . . 4836 1 357 . 1 1 64 64 THR C C 13 171.93 0.2 . 1 . . . . . . . . 4836 1 358 . 1 1 64 64 THR CA C 13 61.40 0.2 . 1 . . . . . . . . 4836 1 359 . 1 1 64 64 THR CB C 13 69.91 0.2 . 1 . . . . . . . . 4836 1 360 . 1 1 64 64 THR N N 15 117.52 0.2 . 1 . . . . . . . . 4836 1 361 . 1 1 65 65 TYR H H 1 8.37 0.02 . 1 . . . . . . . . 4836 1 362 . 1 1 65 65 TYR HA H 1 5.18 0.02 . 1 . . . . . . . . 4836 1 363 . 1 1 65 65 TYR C C 13 175.35 0.2 . 1 . . . . . . . . 4836 1 364 . 1 1 65 65 TYR CA C 13 53.98 0.2 . 1 . . . . . . . . 4836 1 365 . 1 1 65 65 TYR CB C 13 37.58 0.2 . 1 . . . . . . . . 4836 1 366 . 1 1 65 65 TYR N N 15 124.07 0.2 . 1 . . . . . . . . 4836 1 367 . 1 1 66 66 TYR H H 1 9.44 0.02 . 1 . . . . . . . . 4836 1 368 . 1 1 66 66 TYR HA H 1 4.77 0.02 . 1 . . . . . . . . 4836 1 369 . 1 1 66 66 TYR C C 13 174.53 0.2 . 1 . . . . . . . . 4836 1 370 . 1 1 66 66 TYR CA C 13 57.17 0.2 . 1 . . . . . . . . 4836 1 371 . 1 1 66 66 TYR CB C 13 40.67 0.2 . 1 . . . . . . . . 4836 1 372 . 1 1 66 66 TYR N N 15 122.77 0.2 . 1 . . . . . . . . 4836 1 373 . 1 1 67 67 SER H H 1 8.79 0.02 . 1 . . . . . . . . 4836 1 374 . 1 1 67 67 SER HA H 1 5.71 0.02 . 1 . . . . . . . . 4836 1 375 . 1 1 67 67 SER C C 13 173.60 0.2 . 1 . . . . . . . . 4836 1 376 . 1 1 67 67 SER CA C 13 55.89 0.2 . 1 . . . . . . . . 4836 1 377 . 1 1 67 67 SER CB C 13 66.79 0.2 . 1 . . . . . . . . 4836 1 378 . 1 1 67 67 SER N N 15 116.00 0.2 . 1 . . . . . . . . 4836 1 379 . 1 1 68 68 ILE H H 1 8.86 0.02 . 1 . . . . . . . . 4836 1 380 . 1 1 68 68 ILE HA H 1 4.44 0.02 . 1 . . . . . . . . 4836 1 381 . 1 1 68 68 ILE C C 13 172.12 0.2 . 1 . . . . . . . . 4836 1 382 . 1 1 68 68 ILE CA C 13 59.52 0.2 . 1 . . . . . . . . 4836 1 383 . 1 1 68 68 ILE CB C 13 41.15 0.2 . 1 . . . . . . . . 4836 1 384 . 1 1 68 68 ILE N N 15 120.73 0.2 . 1 . . . . . . . . 4836 1 385 . 1 1 69 69 SER H H 1 8.33 0.02 . 1 . . . . . . . . 4836 1 386 . 1 1 69 69 SER HA H 1 4.58 0.02 . 1 . . . . . . . . 4836 1 387 . 1 1 69 69 SER C C 13 176.23 0.2 . 1 . . . . . . . . 4836 1 388 . 1 1 69 69 SER CA C 13 58.31 0.2 . 1 . . . . . . . . 4836 1 389 . 1 1 69 69 SER CB C 13 63.02 0.2 . 1 . . . . . . . . 4836 1 390 . 1 1 69 69 SER N N 15 121.04 0.2 . 1 . . . . . . . . 4836 1 391 . 1 1 70 70 ALA H H 1 8.26 0.02 . 1 . . . . . . . . 4836 1 392 . 1 1 70 70 ALA C C 13 178.98 0.2 . 1 . . . . . . . . 4836 1 393 . 1 1 70 70 ALA CA C 13 54.60 0.2 . 1 . . . . . . . . 4836 1 394 . 1 1 70 70 ALA CB C 13 18.33 0.2 . 1 . . . . . . . . 4836 1 395 . 1 1 70 70 ALA N N 15 128.67 0.2 . 1 . . . . . . . . 4836 1 396 . 1 1 71 71 GLY H H 1 7.94 0.02 . 1 . . . . . . . . 4836 1 397 . 1 1 71 71 GLY HA2 H 1 3.75 0.02 . 1 . . . . . . . . 4836 1 398 . 1 1 71 71 GLY HA3 H 1 4.15 0.02 . 1 . . . . . . . . 4836 1 399 . 1 1 71 71 GLY C C 13 174.49 0.2 . 1 . . . . . . . . 4836 1 400 . 1 1 71 71 GLY CA C 13 45.35 0.2 . 1 . . . . . . . . 4836 1 401 . 1 1 71 71 GLY N N 15 101.48 0.2 . 1 . . . . . . . . 4836 1 402 . 1 1 72 72 ASN H H 1 7.87 0.02 . 1 . . . . . . . . 4836 1 403 . 1 1 72 72 ASN HA H 1 5.02 0.02 . 1 . . . . . . . . 4836 1 404 . 1 1 72 72 ASN C C 13 174.60 0.2 . 1 . . . . . . . . 4836 1 405 . 1 1 72 72 ASN CA C 13 52.30 0.2 . 1 . . . . . . . . 4836 1 406 . 1 1 72 72 ASN CB C 13 39.25 0.2 . 1 . . . . . . . . 4836 1 407 . 1 1 72 72 ASN N N 15 116.55 0.2 . 1 . . . . . . . . 4836 1 408 . 1 1 73 73 VAL H H 1 6.97 0.02 . 1 . . . . . . . . 4836 1 409 . 1 1 73 73 VAL HA H 1 4.59 0.02 . 1 . . . . . . . . 4836 1 410 . 1 1 73 73 VAL C C 13 175.03 0.2 . 1 . . . . . . . . 4836 1 411 . 1 1 73 73 VAL CA C 13 60.36 0.2 . 1 . . . . . . . . 4836 1 412 . 1 1 73 73 VAL CB C 13 32.35 0.2 . 1 . . . . . . . . 4836 1 413 . 1 1 73 73 VAL N N 15 114.03 0.2 . 1 . . . . . . . . 4836 1 414 . 1 1 74 74 VAL H H 1 7.90 0.02 . 1 . . . . . . . . 4836 1 415 . 1 1 74 74 VAL HA H 1 4.26 0.02 . 1 . . . . . . . . 4836 1 416 . 1 1 74 74 VAL C C 13 174.32 0.2 . 1 . . . . . . . . 4836 1 417 . 1 1 74 74 VAL CA C 13 62.14 0.2 . 1 . . . . . . . . 4836 1 418 . 1 1 74 74 VAL CB C 13 32.35 0.2 . 1 . . . . . . . . 4836 1 419 . 1 1 74 74 VAL N N 15 124.58 0.2 . 1 . . . . . . . . 4836 1 420 . 1 1 75 75 ILE H H 1 8.47 0.02 . 1 . . . . . . . . 4836 1 421 . 1 1 75 75 ILE HA H 1 5.34 0.02 . 1 . . . . . . . . 4836 1 422 . 1 1 75 75 ILE C C 13 176.51 0.2 . 1 . . . . . . . . 4836 1 423 . 1 1 75 75 ILE CA C 13 58.80 0.2 . 1 . . . . . . . . 4836 1 424 . 1 1 75 75 ILE CB C 13 39.48 0.2 . 1 . . . . . . . . 4836 1 425 . 1 1 75 75 ILE N N 15 126.38 0.2 . 1 . . . . . . . . 4836 1 426 . 1 1 76 76 GLN H H 1 9.86 0.02 . 1 . . . . . . . . 4836 1 427 . 1 1 76 76 GLN HA H 1 4.96 0.02 . 1 . . . . . . . . 4836 1 428 . 1 1 76 76 GLN C C 13 174.38 0.2 . 1 . . . . . . . . 4836 1 429 . 1 1 76 76 GLN CA C 13 53.42 0.2 . 1 . . . . . . . . 4836 1 430 . 1 1 76 76 GLN CB C 13 31.64 0.2 . 1 . . . . . . . . 4836 1 431 . 1 1 76 76 GLN N N 15 127.72 0.2 . 1 . . . . . . . . 4836 1 432 . 1 1 77 77 SER H H 1 8.64 0.02 . 1 . . . . . . . . 4836 1 433 . 1 1 77 77 SER HA H 1 4.79 0.02 . 1 . . . . . . . . 4836 1 434 . 1 1 77 77 SER C C 13 175.15 0.2 . 1 . . . . . . . . 4836 1 435 . 1 1 77 77 SER CA C 13 57.77 0.2 . 1 . . . . . . . . 4836 1 436 . 1 1 77 77 SER CB C 13 64.21 0.2 . 1 . . . . . . . . 4836 1 437 . 1 1 77 77 SER N N 15 119.41 0.2 . 1 . . . . . . . . 4836 1 438 . 1 1 78 78 LEU H H 1 9.56 0.02 . 1 . . . . . . . . 4836 1 439 . 1 1 78 78 LEU HA H 1 4.02 0.02 . 1 . . . . . . . . 4836 1 440 . 1 1 78 78 LEU C C 13 176.06 0.2 . 1 . . . . . . . . 4836 1 441 . 1 1 78 78 LEU CA C 13 55.93 0.2 . 1 . . . . . . . . 4836 1 442 . 1 1 78 78 LEU CB C 13 41.86 0.2 . 1 . . . . . . . . 4836 1 443 . 1 1 78 78 LEU N N 15 121.98 0.2 . 1 . . . . . . . . 4836 1 444 . 1 1 79 79 ASP H H 1 7.60 0.02 . 1 . . . . . . . . 4836 1 445 . 1 1 79 79 ASP HA H 1 4.54 0.02 . 1 . . . . . . . . 4836 1 446 . 1 1 79 79 ASP C C 13 174.77 0.2 . 1 . . . . . . . . 4836 1 447 . 1 1 79 79 ASP CA C 13 51.52 0.2 . 1 . . . . . . . . 4836 1 448 . 1 1 79 79 ASP CB C 13 42.34 0.2 . 1 . . . . . . . . 4836 1 449 . 1 1 79 79 ASP N N 15 112.82 0.2 . 1 . . . . . . . . 4836 1 450 . 1 1 80 80 VAL H H 1 8.92 0.02 . 1 . . . . . . . . 4836 1 451 . 1 1 80 80 VAL HA H 1 4.07 0.02 . 1 . . . . . . . . 4836 1 452 . 1 1 80 80 VAL C C 13 176.87 0.2 . 1 . . . . . . . . 4836 1 453 . 1 1 80 80 VAL CA C 13 62.50 0.2 . 1 . . . . . . . . 4836 1 454 . 1 1 80 80 VAL CB C 13 31.88 0.2 . 1 . . . . . . . . 4836 1 455 . 1 1 80 80 VAL N N 15 118.48 0.2 . 1 . . . . . . . . 4836 1 456 . 1 1 81 81 GLY H H 1 8.37 0.02 . 1 . . . . . . . . 4836 1 457 . 1 1 81 81 GLY HA2 H 1 3.84 0.02 . 1 . . . . . . . . 4836 1 458 . 1 1 81 81 GLY HA3 H 1 4.11 0.2 . 1 . . . . . . . . 4836 1 459 . 1 1 81 81 GLY C C 13 173.43 0.2 . 1 . . . . . . . . 4836 1 460 . 1 1 81 81 GLY CA C 13 43.86 0.2 . 1 . . . . . . . . 4836 1 461 . 1 1 81 81 GLY N N 15 111.59 0.2 . 1 . . . . . . . . 4836 1 462 . 1 1 82 82 PHE H H 1 8.61 0.02 . 1 . . . . . . . . 4836 1 463 . 1 1 82 82 PHE HA H 1 4.68 0.02 . 1 . . . . . . . . 4836 1 464 . 1 1 82 82 PHE C C 13 175.00 0.2 . 1 . . . . . . . . 4836 1 465 . 1 1 82 82 PHE CA C 13 58.50 0.2 . 1 . . . . . . . . 4836 1 466 . 1 1 82 82 PHE CB C 13 39.01 0.2 . 1 . . . . . . . . 4836 1 467 . 1 1 82 82 PHE N N 15 121.47 0.2 . 1 . . . . . . . . 4836 1 468 . 1 1 83 83 GLN H H 1 7.86 0.02 . 1 . . . . . . . . 4836 1 469 . 1 1 83 83 GLN C C 13 176.48 0.2 . 1 . . . . . . . . 4836 1 470 . 1 1 83 83 GLN CA C 13 52.96 0.2 . 1 . . . . . . . . 4836 1 471 . 1 1 83 83 GLN CB C 13 27.84 0.2 . 1 . . . . . . . . 4836 1 472 . 1 1 83 83 GLN N N 15 122.38 0.2 . 1 . . . . . . . . 4836 1 473 . 1 1 84 84 ASP H H 1 8.86 0.02 . 1 . . . . . . . . 4836 1 474 . 1 1 84 84 ASP C C 13 178.20 0.2 . 1 . . . . . . . . 4836 1 475 . 1 1 84 84 ASP CA C 13 54.69 0.2 . 1 . . . . . . . . 4836 1 476 . 1 1 84 84 ASP CB C 13 41.62 0.2 . 1 . . . . . . . . 4836 1 477 . 1 1 84 84 ASP N N 15 119.57 0.2 . 1 . . . . . . . . 4836 1 478 . 1 1 85 85 VAL H H 1 8.42 0.02 . 1 . . . . . . . . 4836 1 479 . 1 1 85 85 VAL HA H 1 4.64 0.02 . 1 . . . . . . . . 4836 1 480 . 1 1 85 85 VAL CA C 13 58.25 0.2 . 1 . . . . . . . . 4836 1 481 . 1 1 85 85 VAL CB C 13 35.20 0.2 . 1 . . . . . . . . 4836 1 482 . 1 1 85 85 VAL N N 15 118.89 0.2 . 1 . . . . . . . . 4836 1 483 . 1 1 86 86 VAL H H 1 8.79 0.02 . 1 . . . . . . . . 4836 1 484 . 1 1 86 86 VAL HA H 1 5.30 0.02 . 1 . . . . . . . . 4836 1 485 . 1 1 86 86 VAL C C 13 177.20 0.2 . 1 . . . . . . . . 4836 1 486 . 1 1 86 86 VAL CA C 13 61.80 0.2 . 1 . . . . . . . . 4836 1 487 . 1 1 86 86 VAL CB C 13 37.82 0.2 . 1 . . . . . . . . 4836 1 488 . 1 1 86 86 VAL N N 15 119.80 0.2 . 1 . . . . . . . . 4836 1 489 . 1 1 87 87 LEU H H 1 8.33 0.02 . 1 . . . . . . . . 4836 1 490 . 1 1 87 87 LEU CA C 13 56.01 0.2 . 1 . . . . . . . . 4836 1 491 . 1 1 87 87 LEU CB C 13 43.05 0.2 . 1 . . . . . . . . 4836 1 492 . 1 1 87 87 LEU N N 15 121.51 0.2 . 1 . . . . . . . . 4836 1 493 . 1 1 88 88 MET H H 1 8.39 0.02 . 1 . . . . . . . . 4836 1 494 . 1 1 88 88 MET HA H 1 5.01 0.02 . 1 . . . . . . . . 4836 1 495 . 1 1 88 88 MET C C 13 174.18 0.2 . 1 . . . . . . . . 4836 1 496 . 1 1 88 88 MET CA C 13 55.86 0.2 . 1 . . . . . . . . 4836 1 497 . 1 1 88 88 MET CB C 13 32.35 0.2 . 1 . . . . . . . . 4836 1 498 . 1 1 88 88 MET N N 15 129.00 0.2 . 1 . . . . . . . . 4836 1 499 . 1 1 89 89 LYS H H 1 8.69 0.02 . 1 . . . . . . . . 4836 1 500 . 1 1 89 89 LYS HA H 1 4.24 0.02 . 1 . . . . . . . . 4836 1 501 . 1 1 89 89 LYS C C 13 176.34 0.2 . 1 . . . . . . . . 4836 1 502 . 1 1 89 89 LYS CA C 13 54.03 0.2 . 1 . . . . . . . . 4836 1 503 . 1 1 89 89 LYS CB C 13 30.69 0.2 . 1 . . . . . . . . 4836 1 504 . 1 1 89 89 LYS N N 15 120.35 0.2 . 1 . . . . . . . . 4836 1 505 . 1 1 90 90 VAL H H 1 8.54 0.02 . 1 . . . . . . . . 4836 1 506 . 1 1 90 90 VAL HA H 1 4.34 0.02 . 1 . . . . . . . . 4836 1 507 . 1 1 90 90 VAL CA C 13 58.60 0.2 . 1 . . . . . . . . 4836 1 508 . 1 1 90 90 VAL CB C 13 29.02 0.2 . 1 . . . . . . . . 4836 1 509 . 1 1 90 90 VAL N N 15 126.73 0.2 . 1 . . . . . . . . 4836 1 510 . 1 1 91 91 PRO C C 13 177.50 0.2 . 1 . . . . . . . . 4836 1 511 . 1 1 91 91 PRO CA C 13 64.04 0.2 . 1 . . . . . . . . 4836 1 512 . 1 1 91 91 PRO CB C 13 31.63 0.2 . 1 . . . . . . . . 4836 1 513 . 1 1 92 92 THR H H 1 6.88 0.02 . 1 . . . . . . . . 4836 1 514 . 1 1 92 92 THR HA H 1 4.16 0.02 . 1 . . . . . . . . 4836 1 515 . 1 1 92 92 THR C C 13 174.37 0.2 . 1 . . . . . . . . 4836 1 516 . 1 1 92 92 THR CA C 13 60.80 0.2 . 1 . . . . . . . . 4836 1 517 . 1 1 92 92 THR CB C 13 68.72 0.2 . 1 . . . . . . . . 4836 1 518 . 1 1 92 92 THR N N 15 104.56 0.2 . 1 . . . . . . . . 4836 1 519 . 1 1 93 93 ILE H H 1 7.45 0.02 . 1 . . . . . . . . 4836 1 520 . 1 1 93 93 ILE HA H 1 3.74 0.02 . 1 . . . . . . . . 4836 1 521 . 1 1 93 93 ILE C C 13 172.42 0.2 . 1 . . . . . . . . 4836 1 522 . 1 1 93 93 ILE CA C 13 57.74 0.2 . 1 . . . . . . . . 4836 1 523 . 1 1 93 93 ILE CB C 13 40.43 0.2 . 1 . . . . . . . . 4836 1 524 . 1 1 93 93 ILE N N 15 123.81 0.2 . 1 . . . . . . . . 4836 1 525 . 1 1 94 94 PRO C C 13 176.67 0.2 . 1 . . . . . . . . 4836 1 526 . 1 1 94 94 PRO CA C 13 62.41 0.2 . 1 . . . . . . . . 4836 1 527 . 1 1 94 94 PRO CB C 13 30.45 0.2 . 1 . . . . . . . . 4836 1 528 . 1 1 95 95 LYS H H 1 7.77 0.02 . 1 . . . . . . . . 4836 1 529 . 1 1 95 95 LYS HA H 1 4.45 0.02 . 1 . . . . . . . . 4836 1 530 . 1 1 95 95 LYS C C 13 178.20 0.2 . 1 . . . . . . . . 4836 1 531 . 1 1 95 95 LYS CA C 13 56.77 0.2 . 1 . . . . . . . . 4836 1 532 . 1 1 95 95 LYS CB C 13 33.06 0.2 . 1 . . . . . . . . 4836 1 533 . 1 1 95 95 LYS N N 15 120.17 0.2 . 1 . . . . . . . . 4836 1 534 . 1 1 96 96 PHE H H 1 9.58 0.02 . 1 . . . . . . . . 4836 1 535 . 1 1 96 96 PHE HA H 1 4.48 0.02 . 1 . . . . . . . . 4836 1 536 . 1 1 96 96 PHE C C 13 176.41 0.2 . 1 . . . . . . . . 4836 1 537 . 1 1 96 96 PHE CA C 13 57.33 0.2 . 1 . . . . . . . . 4836 1 538 . 1 1 96 96 PHE CB C 13 39.72 0.2 . 1 . . . . . . . . 4836 1 539 . 1 1 96 96 PHE N N 15 121.72 0.2 . 1 . . . . . . . . 4836 1 540 . 1 1 97 97 ARG H H 1 8.76 0.02 . 1 . . . . . . . . 4836 1 541 . 1 1 97 97 ARG HA H 1 4.15 0.02 . 1 . . . . . . . . 4836 1 542 . 1 1 97 97 ARG C C 13 175.74 0.2 . 1 . . . . . . . . 4836 1 543 . 1 1 97 97 ARG CA C 13 55.96 0.2 . 1 . . . . . . . . 4836 1 544 . 1 1 97 97 ARG CB C 13 29.74 0.2 . 1 . . . . . . . . 4836 1 545 . 1 1 97 97 ARG N N 15 123.50 0.2 . 1 . . . . . . . . 4836 1 546 . 1 1 98 98 ASP H H 1 8.56 0.02 . 1 . . . . . . . . 4836 1 547 . 1 1 98 98 ASP HA H 1 4.74 0.02 . 1 . . . . . . . . 4836 1 548 . 1 1 98 98 ASP C C 13 178.47 0.2 . 1 . . . . . . . . 4836 1 549 . 1 1 98 98 ASP CA C 13 53.22 0.2 . 1 . . . . . . . . 4836 1 550 . 1 1 98 98 ASP CB C 13 39.48 0.2 . 1 . . . . . . . . 4836 1 551 . 1 1 98 98 ASP N N 15 123.16 0.2 . 1 . . . . . . . . 4836 1 552 . 1 1 99 99 ILE H H 1 8.93 0.02 . 1 . . . . . . . . 4836 1 553 . 1 1 99 99 ILE HA H 1 4.61 0.02 . 1 . . . . . . . . 4836 1 554 . 1 1 99 99 ILE C C 13 178.12 0.2 . 1 . . . . . . . . 4836 1 555 . 1 1 99 99 ILE CA C 13 60.88 0.2 . 1 . . . . . . . . 4836 1 556 . 1 1 99 99 ILE CB C 13 38.77 0.2 . 1 . . . . . . . . 4836 1 557 . 1 1 99 99 ILE N N 15 121.81 0.2 . 1 . . . . . . . . 4836 1 558 . 1 1 100 100 THR H H 1 9.00 0.02 . 1 . . . . . . . . 4836 1 559 . 1 1 100 100 THR HA H 1 3.32 0.02 . 1 . . . . . . . . 4836 1 560 . 1 1 100 100 THR C C 13 176.95 0.2 . 1 . . . . . . . . 4836 1 561 . 1 1 100 100 THR CA C 13 65.22 0.2 . 1 . . . . . . . . 4836 1 562 . 1 1 100 100 THR CB C 13 68.96 0.2 . 1 . . . . . . . . 4836 1 563 . 1 1 100 100 THR N N 15 117.06 0.2 . 1 . . . . . . . . 4836 1 564 . 1 1 101 101 GLN H H 1 8.44 0.02 . 1 . . . . . . . . 4836 1 565 . 1 1 101 101 GLN HA H 1 4.20 0.02 . 1 . . . . . . . . 4836 1 566 . 1 1 101 101 GLN C C 13 176.50 0.2 . 1 . . . . . . . . 4836 1 567 . 1 1 101 101 GLN CA C 13 56.24 0.2 . 1 . . . . . . . . 4836 1 568 . 1 1 101 101 GLN CB C 13 26.65 0.2 . 1 . . . . . . . . 4836 1 569 . 1 1 101 101 GLN N N 15 116.21 0.2 . 1 . . . . . . . . 4836 1 570 . 1 1 102 102 HIS H H 1 8.19 0.02 . 1 . . . . . . . . 4836 1 571 . 1 1 102 102 HIS HA H 1 4.65 0.02 . 1 . . . . . . . . 4836 1 572 . 1 1 102 102 HIS C C 13 174.17 0.2 . 1 . . . . . . . . 4836 1 573 . 1 1 102 102 HIS CA C 13 55.35 0.2 . 1 . . . . . . . . 4836 1 574 . 1 1 102 102 HIS CB C 13 27.84 0.2 . 1 . . . . . . . . 4836 1 575 . 1 1 102 102 HIS N N 15 113.75 0.2 . 1 . . . . . . . . 4836 1 576 . 1 1 103 103 PHE H H 1 7.72 0.02 . 1 . . . . . . . . 4836 1 577 . 1 1 103 103 PHE HA H 1 4.70 0.02 . 1 . . . . . . . . 4836 1 578 . 1 1 103 103 PHE C C 13 176.17 0.2 . 1 . . . . . . . . 4836 1 579 . 1 1 103 103 PHE CA C 13 53.94 0.2 . 1 . . . . . . . . 4836 1 580 . 1 1 103 103 PHE CB C 13 39.01 0.2 . 1 . . . . . . . . 4836 1 581 . 1 1 103 103 PHE N N 15 119.89 0.2 . 1 . . . . . . . . 4836 1 582 . 1 1 104 104 ILE H H 1 9.00 0.02 . 1 . . . . . . . . 4836 1 583 . 1 1 104 104 ILE HA H 1 4.45 0.02 . 1 . . . . . . . . 4836 1 584 . 1 1 104 104 ILE CA C 13 58.55 0.2 . 1 . . . . . . . . 4836 1 585 . 1 1 104 104 ILE CB C 13 42.34 0.2 . 1 . . . . . . . . 4836 1 586 . 1 1 104 104 ILE N N 15 124.69 0.2 . 1 . . . . . . . . 4836 1 587 . 1 1 105 105 LYS H H 1 8.40 0.02 . 1 . . . . . . . . 4836 1 588 . 1 1 105 105 LYS HA H 1 4.40 0.02 . 1 . . . . . . . . 4836 1 589 . 1 1 105 105 LYS C C 13 179.38 0.2 . 1 . . . . . . . . 4836 1 590 . 1 1 105 105 LYS CA C 13 55.86 0.2 . 1 . . . . . . . . 4836 1 591 . 1 1 105 105 LYS CB C 13 32.11 0.2 . 1 . . . . . . . . 4836 1 592 . 1 1 105 105 LYS N N 15 124.95 0.2 . 1 . . . . . . . . 4836 1 593 . 1 1 106 106 LYS H H 1 10.30 0.02 . 1 . . . . . . . . 4836 1 594 . 1 1 106 106 LYS HA H 1 4.63 0.02 . 1 . . . . . . . . 4836 1 595 . 1 1 106 106 LYS C C 13 179.86 0.2 . 1 . . . . . . . . 4836 1 596 . 1 1 106 106 LYS CA C 13 60.07 0.2 . 1 . . . . . . . . 4836 1 597 . 1 1 106 106 LYS CB C 13 31.16 0.2 . 1 . . . . . . . . 4836 1 598 . 1 1 106 106 LYS N N 15 126.23 0.2 . 1 . . . . . . . . 4836 1 599 . 1 1 107 107 GLY H H 1 9.37 0.02 . 1 . . . . . . . . 4836 1 600 . 1 1 107 107 GLY HA2 H 1 3.86 0.02 . 1 . . . . . . . . 4836 1 601 . 1 1 107 107 GLY HA3 H 1 3.70 0.02 . 1 . . . . . . . . 4836 1 602 . 1 1 107 107 GLY C C 13 174.38 0.2 . 1 . . . . . . . . 4836 1 603 . 1 1 107 107 GLY CA C 13 45.48 0.2 . 1 . . . . . . . . 4836 1 604 . 1 1 107 107 GLY N N 15 104.66 0.2 . 1 . . . . . . . . 4836 1 605 . 1 1 108 108 ASP H H 1 8.04 0.02 . 1 . . . . . . . . 4836 1 606 . 1 1 108 108 ASP HA H 1 5.05 0.02 . 1 . . . . . . . . 4836 1 607 . 1 1 108 108 ASP C C 13 177.03 0.2 . 1 . . . . . . . . 4836 1 608 . 1 1 108 108 ASP CA C 13 54.00 0.2 . 1 . . . . . . . . 4836 1 609 . 1 1 108 108 ASP CB C 13 41.86 0.2 . 1 . . . . . . . . 4836 1 610 . 1 1 108 108 ASP N N 15 117.21 0.2 . 1 . . . . . . . . 4836 1 611 . 1 1 109 109 VAL H H 1 7.40 0.02 . 1 . . . . . . . . 4836 1 612 . 1 1 109 109 VAL HA H 1 3.93 0.02 . 1 . . . . . . . . 4836 1 613 . 1 1 109 109 VAL C C 13 174.65 0.2 . 1 . . . . . . . . 4836 1 614 . 1 1 109 109 VAL CA C 13 68.66 0.2 . 1 . . . . . . . . 4836 1 615 . 1 1 109 109 VAL CB C 13 29.97 0.2 . 1 . . . . . . . . 4836 1 616 . 1 1 109 109 VAL N N 15 122.93 0.2 . 1 . . . . . . . . 4836 1 617 . 1 1 110 110 PRO C C 13 178.47 0.2 . 1 . . . . . . . . 4836 1 618 . 1 1 110 110 PRO CA C 13 65.11 0.2 . 1 . . . . . . . . 4836 1 619 . 1 1 110 110 PRO CB C 13 30.69 0.2 . 1 . . . . . . . . 4836 1 620 . 1 1 111 111 ARG H H 1 8.06 0.02 . 1 . . . . . . . . 4836 1 621 . 1 1 111 111 ARG HA H 1 4.25 0.02 . 1 . . . . . . . . 4836 1 622 . 1 1 111 111 ARG C C 13 176.36 0.2 . 1 . . . . . . . . 4836 1 623 . 1 1 111 111 ARG CA C 13 57.03 0.2 . 1 . . . . . . . . 4836 1 624 . 1 1 111 111 ARG CB C 13 29.70 0.2 . 1 . . . . . . . . 4836 1 625 . 1 1 111 111 ARG N N 15 113.50 0.2 . 1 . . . . . . . . 4836 1 626 . 1 1 112 112 ALA H H 1 7.99 0.02 . 1 . . . . . . . . 4836 1 627 . 1 1 112 112 ALA HA H 1 4.44 0.02 . 1 . . . . . . . . 4836 1 628 . 1 1 112 112 ALA C C 13 177.87 0.2 . 1 . . . . . . . . 4836 1 629 . 1 1 112 112 ALA CA C 13 51.14 0.2 . 1 . . . . . . . . 4836 1 630 . 1 1 112 112 ALA CB C 13 20.94 0.2 . 1 . . . . . . . . 4836 1 631 . 1 1 112 112 ALA N N 15 119.59 0.2 . 1 . . . . . . . . 4836 1 632 . 1 1 113 113 LEU H H 1 7.04 0.02 . 1 . . . . . . . . 4836 1 633 . 1 1 113 113 LEU HA H 1 4.10 0.02 . 1 . . . . . . . . 4836 1 634 . 1 1 113 113 LEU C C 13 176.73 0.2 . 1 . . . . . . . . 4836 1 635 . 1 1 113 113 LEU CA C 13 55.30 0.2 . 1 . . . . . . . . 4836 1 636 . 1 1 113 113 LEU CB C 13 42.34 0.2 . 1 . . . . . . . . 4836 1 637 . 1 1 113 113 LEU N N 15 118.07 0.2 . 1 . . . . . . . . 4836 1 638 . 1 1 114 114 ASN H H 1 9.81 0.02 . 1 . . . . . . . . 4836 1 639 . 1 1 114 114 ASN HA H 1 4.34 0.02 . 1 . . . . . . . . 4836 1 640 . 1 1 114 114 ASN C C 13 173.31 0.2 . 1 . . . . . . . . 4836 1 641 . 1 1 114 114 ASN CA C 13 54.53 0.2 . 1 . . . . . . . . 4836 1 642 . 1 1 114 114 ASN CB C 13 37.11 0.2 . 1 . . . . . . . . 4836 1 643 . 1 1 114 114 ASN N N 15 115.47 0.2 . 1 . . . . . . . . 4836 1 644 . 1 1 115 115 ARG H H 1 7.34 0.02 . 1 . . . . . . . . 4836 1 645 . 1 1 115 115 ARG HA H 1 4.82 0.02 . 1 . . . . . . . . 4836 1 646 . 1 1 115 115 ARG C C 13 176.05 0.2 . 1 . . . . . . . . 4836 1 647 . 1 1 115 115 ARG CA C 13 52.54 0.2 . 1 . . . . . . . . 4836 1 648 . 1 1 115 115 ARG CB C 13 31.64 0.2 . 1 . . . . . . . . 4836 1 649 . 1 1 115 115 ARG N N 15 115.47 0.2 . 1 . . . . . . . . 4836 1 650 . 1 1 116 116 LEU H H 1 8.44 0.02 . 1 . . . . . . . . 4836 1 651 . 1 1 116 116 LEU HA H 1 4.68 0.02 . 1 . . . . . . . . 4836 1 652 . 1 1 116 116 LEU C C 13 177.39 0.2 . 1 . . . . . . . . 4836 1 653 . 1 1 116 116 LEU CA C 13 55.10 0.2 . 1 . . . . . . . . 4836 1 654 . 1 1 116 116 LEU CB C 13 40.43 0.2 . 1 . . . . . . . . 4836 1 655 . 1 1 116 116 LEU N N 15 120.24 0.2 . 1 . . . . . . . . 4836 1 656 . 1 1 117 117 ALA H H 1 7.36 0.02 . 1 . . . . . . . . 4836 1 657 . 1 1 117 117 ALA HA H 1 4.81 0.02 . 1 . . . . . . . . 4836 1 658 . 1 1 117 117 ALA C C 13 174.32 0.2 . 1 . . . . . . . . 4836 1 659 . 1 1 117 117 ALA CA C 13 51.32 0.2 . 1 . . . . . . . . 4836 1 660 . 1 1 117 117 ALA CB C 13 23.79 0.2 . 1 . . . . . . . . 4836 1 661 . 1 1 117 117 ALA N N 15 121.57 0.2 . 1 . . . . . . . . 4836 1 662 . 1 1 118 118 THR H H 1 8.72 0.02 . 1 . . . . . . . . 4836 1 663 . 1 1 118 118 THR HA H 1 4.82 0.02 . 1 . . . . . . . . 4836 1 664 . 1 1 118 118 THR C C 13 172.42 0.2 . 1 . . . . . . . . 4836 1 665 . 1 1 118 118 THR CA C 13 61.12 0.2 . 1 . . . . . . . . 4836 1 666 . 1 1 118 118 THR CB C 13 71.34 0.2 . 1 . . . . . . . . 4836 1 667 . 1 1 118 118 THR N N 15 116.06 0.2 . 1 . . . . . . . . 4836 1 668 . 1 1 119 119 LEU H H 1 9.79 0.02 . 1 . . . . . . . . 4836 1 669 . 1 1 119 119 LEU HA H 1 4.63 0.02 . 1 . . . . . . . . 4836 1 670 . 1 1 119 119 LEU C C 13 173.76 0.2 . 1 . . . . . . . . 4836 1 671 . 1 1 119 119 LEU CA C 13 53.79 0.2 . 1 . . . . . . . . 4836 1 672 . 1 1 119 119 LEU CB C 13 40.43 0.2 . 1 . . . . . . . . 4836 1 673 . 1 1 119 119 LEU N N 15 130.89 0.2 . 1 . . . . . . . . 4836 1 674 . 1 1 120 120 VAL H H 1 9.23 0.02 . 1 . . . . . . . . 4836 1 675 . 1 1 120 120 VAL HA H 1 4.35 0.02 . 1 . . . . . . . . 4836 1 676 . 1 1 120 120 VAL C C 13 174.15 0.2 . 1 . . . . . . . . 4836 1 677 . 1 1 120 120 VAL CA C 13 61.06 0.2 . 1 . . . . . . . . 4836 1 678 . 1 1 120 120 VAL CB C 13 30.69 0.2 . 1 . . . . . . . . 4836 1 679 . 1 1 120 120 VAL N N 15 129.52 0.2 . 1 . . . . . . . . 4836 1 680 . 1 1 121 121 THR H H 1 8.09 0.02 . 1 . . . . . . . . 4836 1 681 . 1 1 121 121 THR HA H 1 4.87 0.02 . 1 . . . . . . . . 4836 1 682 . 1 1 121 121 THR C C 13 173.16 0.2 . 1 . . . . . . . . 4836 1 683 . 1 1 121 121 THR CA C 13 58.31 0.2 . 1 . . . . . . . . 4836 1 684 . 1 1 121 121 THR CB C 13 69.96 0.2 . 1 . . . . . . . . 4836 1 685 . 1 1 121 121 THR N N 15 118.15 0.2 . 1 . . . . . . . . 4836 1 686 . 1 1 122 122 THR H H 1 8.64 0.02 . 1 . . . . . . . . 4836 1 687 . 1 1 122 122 THR HA H 1 5.28 0.02 . 1 . . . . . . . . 4836 1 688 . 1 1 122 122 THR C C 13 173.19 0.2 . 1 . . . . . . . . 4836 1 689 . 1 1 122 122 THR CA C 13 60.63 0.2 . 1 . . . . . . . . 4836 1 690 . 1 1 122 122 THR CB C 13 71.10 0.2 . 1 . . . . . . . . 4836 1 691 . 1 1 122 122 THR N N 15 115.56 0.2 . 1 . . . . . . . . 4836 1 692 . 1 1 123 123 VAL H H 1 7.95 0.02 . 1 . . . . . . . . 4836 1 693 . 1 1 123 123 VAL HA H 1 5.10 0.02 . 1 . . . . . . . . 4836 1 694 . 1 1 123 123 VAL C C 13 176.36 0.2 . 1 . . . . . . . . 4836 1 695 . 1 1 123 123 VAL CA C 13 61.74 0.2 . 1 . . . . . . . . 4836 1 696 . 1 1 123 123 VAL CB C 13 32.83 0.2 . 1 . . . . . . . . 4836 1 697 . 1 1 123 123 VAL N N 15 117.81 0.2 . 1 . . . . . . . . 4836 1 698 . 1 1 124 124 ASN H H 1 9.67 0.02 . 1 . . . . . . . . 4836 1 699 . 1 1 124 124 ASN HA H 1 4.26 0.02 . 1 . . . . . . . . 4836 1 700 . 1 1 124 124 ASN C C 13 175.16 0.2 . 1 . . . . . . . . 4836 1 701 . 1 1 124 124 ASN CA C 13 53.67 0.2 . 1 . . . . . . . . 4836 1 702 . 1 1 124 124 ASN CB C 13 36.88 0.2 . 1 . . . . . . . . 4836 1 703 . 1 1 124 124 ASN N N 15 127.05 0.2 . 1 . . . . . . . . 4836 1 704 . 1 1 125 125 GLY H H 1 8.15 0.02 . 1 . . . . . . . . 4836 1 705 . 1 1 125 125 GLY HA2 H 1 3.32 0.02 . 1 . . . . . . . . 4836 1 706 . 1 1 125 125 GLY HA3 H 1 4.26 0.02 . 1 . . . . . . . . 4836 1 707 . 1 1 125 125 GLY C C 13 174.40 0.2 . 1 . . . . . . . . 4836 1 708 . 1 1 125 125 GLY CA C 13 44.65 0.2 . 1 . . . . . . . . 4836 1 709 . 1 1 125 125 GLY N N 15 102.87 0.2 . 1 . . . . . . . . 4836 1 710 . 1 1 126 126 THR H H 1 8.00 0.02 . 1 . . . . . . . . 4836 1 711 . 1 1 126 126 THR HA H 1 4.58 0.02 . 1 . . . . . . . . 4836 1 712 . 1 1 126 126 THR C C 13 172.19 0.02 . 1 . . . . . . . . 4836 1 713 . 1 1 126 126 THR CA C 13 60.23 0.2 . 1 . . . . . . . . 4836 1 714 . 1 1 126 126 THR CB C 13 69.44 0.2 . 1 . . . . . . . . 4836 1 715 . 1 1 126 126 THR N N 15 120.71 0.2 . 1 . . . . . . . . 4836 1 716 . 1 1 127 127 PRO C C 13 176.00 0.2 . 1 . . . . . . . . 4836 1 717 . 1 1 127 127 PRO CA C 13 62.77 0.2 . 1 . . . . . . . . 4836 1 718 . 1 1 127 127 PRO CB C 13 31.40 0.2 . 1 . . . . . . . . 4836 1 719 . 1 1 128 128 MET H H 1 8.32 0.02 . 1 . . . . . . . . 4836 1 720 . 1 1 128 128 MET HA H 1 4.73 0.02 . 1 . . . . . . . . 4836 1 721 . 1 1 128 128 MET C C 13 176.52 0.2 . 1 . . . . . . . . 4836 1 722 . 1 1 128 128 MET CA C 13 54.64 0.2 . 1 . . . . . . . . 4836 1 723 . 1 1 128 128 MET CB C 13 36.63 0.2 . 1 . . . . . . . . 4836 1 724 . 1 1 128 128 MET N N 15 119.73 0.2 . 1 . . . . . . . . 4836 1 725 . 1 1 129 129 LEU H H 1 9.62 0.02 . 1 . . . . . . . . 4836 1 726 . 1 1 129 129 LEU C C 13 175.40 0.2 . 1 . . . . . . . . 4836 1 727 . 1 1 129 129 LEU CA C 13 55.00 0.2 . 1 . . . . . . . . 4836 1 728 . 1 1 129 129 LEU CB C 13 43.76 0.2 . 1 . . . . . . . . 4836 1 729 . 1 1 129 129 LEU N N 15 113.79 0.2 . 1 . . . . . . . . 4836 1 730 . 1 1 130 130 ILE H H 1 8.83 0.02 . 1 . . . . . . . . 4836 1 731 . 1 1 130 130 ILE HA H 1 5.05 0.02 . 1 . . . . . . . . 4836 1 732 . 1 1 130 130 ILE C C 13 175.22 0.2 . 1 . . . . . . . . 4836 1 733 . 1 1 130 130 ILE CA C 13 58.25 0.2 . 1 . . . . . . . . 4836 1 734 . 1 1 130 130 ILE CB C 13 39.24 0.2 . 1 . . . . . . . . 4836 1 735 . 1 1 130 130 ILE N N 15 123.25 0.2 . 1 . . . . . . . . 4836 1 736 . 1 1 131 131 SER H H 1 8.97 0.02 . 1 . . . . . . . . 4836 1 737 . 1 1 131 131 SER HA H 1 4.40 0.02 . 1 . . . . . . . . 4836 1 738 . 1 1 131 131 SER C C 13 174.14 0.2 . 1 . . . . . . . . 4836 1 739 . 1 1 131 131 SER CA C 13 58.91 0.2 . 1 . . . . . . . . 4836 1 740 . 1 1 131 131 SER CB C 13 63.02 0.2 . 1 . . . . . . . . 4836 1 741 . 1 1 131 131 SER N N 15 124.47 0.2 . 1 . . . . . . . . 4836 1 742 . 1 1 132 132 GLU H H 1 8.44 0.02 . 1 . . . . . . . . 4836 1 743 . 1 1 132 132 GLU HA H 1 4.91 0.02 . 1 . . . . . . . . 4836 1 744 . 1 1 132 132 GLU C C 13 177.06 0.2 . 1 . . . . . . . . 4836 1 745 . 1 1 132 132 GLU CA C 13 55.63 0.2 . 1 . . . . . . . . 4836 1 746 . 1 1 132 132 GLU CB C 13 28.31 0.2 . 1 . . . . . . . . 4836 1 747 . 1 1 132 132 GLU N N 15 123.44 0.2 . 1 . . . . . . . . 4836 1 748 . 1 1 133 133 GLY H H 1 8.32 0.02 . 1 . . . . . . . . 4836 1 749 . 1 1 133 133 GLY HA2 H 1 3.98 0.02 . 1 . . . . . . . . 4836 1 750 . 1 1 133 133 GLY HA3 H 1 4.26 0.2 . 1 . . . . . . . . 4836 1 751 . 1 1 133 133 GLY CA C 13 44.80 0.2 . 1 . . . . . . . . 4836 1 752 . 1 1 133 133 GLY N N 15 107.36 0.2 . 1 . . . . . . . . 4836 1 753 . 1 1 134 134 PRO C C 13 179.80 0.2 . 1 . . . . . . . . 4836 1 754 . 1 1 134 134 PRO CA C 13 61.56 0.2 . 1 . . . . . . . . 4836 1 755 . 1 1 134 134 PRO CB C 13 30.45 0.2 . 1 . . . . . . . . 4836 1 756 . 1 1 135 135 LEU H H 1 7.51 0.02 . 1 . . . . . . . . 4836 1 757 . 1 1 135 135 LEU HA H 1 4.58 0.02 . 1 . . . . . . . . 4836 1 758 . 1 1 135 135 LEU C C 13 173.42 0.2 . 1 . . . . . . . . 4836 1 759 . 1 1 135 135 LEU CA C 13 55.67 0.2 . 1 . . . . . . . . 4836 1 760 . 1 1 135 135 LEU CB C 13 44.00 0.2 . 1 . . . . . . . . 4836 1 761 . 1 1 135 135 LEU N N 15 123.49 0.2 . 1 . . . . . . . . 4836 1 762 . 1 1 136 136 LYS H H 1 8.47 0.02 . 1 . . . . . . . . 4836 1 763 . 1 1 136 136 LYS HA H 1 4.82 0.02 . 1 . . . . . . . . 4836 1 764 . 1 1 136 136 LYS C C 13 174.72 0.2 . 1 . . . . . . . . 4836 1 765 . 1 1 136 136 LYS CA C 13 53.93 0.2 . 1 . . . . . . . . 4836 1 766 . 1 1 136 136 LYS CB C 13 35.20 0.2 . 1 . . . . . . . . 4836 1 767 . 1 1 136 136 LYS N N 15 119.02 0.2 . 1 . . . . . . . . 4836 1 768 . 1 1 137 137 MET H H 1 8.57 0.02 . 1 . . . . . . . . 4836 1 769 . 1 1 137 137 MET HA H 1 5.01 0.02 . 1 . . . . . . . . 4836 1 770 . 1 1 137 137 MET C C 13 174.89 0.2 . 1 . . . . . . . . 4836 1 771 . 1 1 137 137 MET CA C 13 53.83 0.2 . 1 . . . . . . . . 4836 1 772 . 1 1 137 137 MET CB C 13 33.06 0.2 . 1 . . . . . . . . 4836 1 773 . 1 1 137 137 MET N N 15 121.06 0.2 . 1 . . . . . . . . 4836 1 774 . 1 1 138 138 GLU H H 1 9.16 0.02 . 1 . . . . . . . . 4836 1 775 . 1 1 138 138 GLU HA H 1 4.68 0.02 . 1 . . . . . . . . 4836 1 776 . 1 1 138 138 GLU C C 13 176.44 0.2 . 1 . . . . . . . . 4836 1 777 . 1 1 138 138 GLU CA C 13 53.52 0.2 . 1 . . . . . . . . 4836 1 778 . 1 1 138 138 GLU CB C 13 29.97 0.2 . 1 . . . . . . . . 4836 1 779 . 1 1 138 138 GLU N N 15 126.50 0.2 . 1 . . . . . . . . 4836 1 780 . 1 1 139 139 GLU H H 1 8.83 0.02 . 1 . . . . . . . . 4836 1 781 . 1 1 139 139 GLU HA H 1 3.90 0.02 . 1 . . . . . . . . 4836 1 782 . 1 1 139 139 GLU C C 13 178.36 0.2 . 1 . . . . . . . . 4836 1 783 . 1 1 139 139 GLU CA C 13 59.25 0.2 . 1 . . . . . . . . 4836 1 784 . 1 1 139 139 GLU CB C 13 28.79 0.2 . 1 . . . . . . . . 4836 1 785 . 1 1 139 139 GLU N N 15 124.60 0.2 . 1 . . . . . . . . 4836 1 786 . 1 1 140 140 LYS H H 1 7.90 0.02 . 1 . . . . . . . . 4836 1 787 . 1 1 140 140 LYS HA H 1 4.07 0.02 . 1 . . . . . . . . 4836 1 788 . 1 1 140 140 LYS C C 13 174.82 0.2 . 1 . . . . . . . . 4836 1 789 . 1 1 140 140 LYS CA C 13 54.64 0.2 . 1 . . . . . . . . 4836 1 790 . 1 1 140 140 LYS CB C 13 35.20 0.2 . 1 . . . . . . . . 4836 1 791 . 1 1 140 140 LYS N N 15 117.41 0.2 . 1 . . . . . . . . 4836 1 792 . 1 1 141 141 ALA H H 1 8.78 0.02 . 1 . . . . . . . . 4836 1 793 . 1 1 141 141 ALA HA H 1 4.74 0.02 . 1 . . . . . . . . 4836 1 794 . 1 1 141 141 ALA C C 13 175.18 0.2 . 1 . . . . . . . . 4836 1 795 . 1 1 141 141 ALA CA C 13 50.64 0.2 . 1 . . . . . . . . 4836 1 796 . 1 1 141 141 ALA CB C 13 21.89 0.2 . 1 . . . . . . . . 4836 1 797 . 1 1 141 141 ALA N N 15 124.36 0.2 . 1 . . . . . . . . 4836 1 798 . 1 1 142 142 THR H H 1 8.45 0.02 . 1 . . . . . . . . 4836 1 799 . 1 1 142 142 THR HA H 1 5.68 0.02 . 1 . . . . . . . . 4836 1 800 . 1 1 142 142 THR C C 13 173.73 0.2 . 1 . . . . . . . . 4836 1 801 . 1 1 142 142 THR CA C 13 60.02 0.2 . 1 . . . . . . . . 4836 1 802 . 1 1 142 142 THR CB C 13 70.62 0.2 . 1 . . . . . . . . 4836 1 803 . 1 1 142 142 THR N N 15 116.93 0.2 . 1 . . . . . . . . 4836 1 804 . 1 1 143 143 TYR H H 1 8.98 0.02 . 1 . . . . . . . . 4836 1 805 . 1 1 143 143 TYR HA H 1 4.83 0.02 . 1 . . . . . . . . 4836 1 806 . 1 1 143 143 TYR C C 13 172.83 0.2 . 1 . . . . . . . . 4836 1 807 . 1 1 143 143 TYR CA C 13 54.80 0.2 . 1 . . . . . . . . 4836 1 808 . 1 1 143 143 TYR CB C 13 38.55 0.2 . 1 . . . . . . . . 4836 1 809 . 1 1 143 143 TYR N N 15 124.79 0.2 . 1 . . . . . . . . 4836 1 810 . 1 1 144 144 VAL H H 1 8.22 0.02 . 1 . . . . . . . . 4836 1 811 . 1 1 144 144 VAL HA H 1 4.81 0.02 . 1 . . . . . . . . 4836 1 812 . 1 1 144 144 VAL C C 13 175.64 0.2 . 1 . . . . . . . . 4836 1 813 . 1 1 144 144 VAL CA C 13 60.64 0.2 . 1 . . . . . . . . 4836 1 814 . 1 1 144 144 VAL CB C 13 33.54 0.2 . 1 . . . . . . . . 4836 1 815 . 1 1 144 144 VAL N N 15 116.39 0.2 . 1 . . . . . . . . 4836 1 816 . 1 1 145 145 HIS H H 1 8.86 0.02 . 1 . . . . . . . . 4836 1 817 . 1 1 145 145 HIS HA H 1 5.06 0.02 . 1 . . . . . . . . 4836 1 818 . 1 1 145 145 HIS C C 13 172.67 0.2 . 1 . . . . . . . . 4836 1 819 . 1 1 145 145 HIS CA C 13 54.76 0.2 . 1 . . . . . . . . 4836 1 820 . 1 1 145 145 HIS CB C 13 32.35 0.2 . 1 . . . . . . . . 4836 1 821 . 1 1 145 145 HIS N N 15 124.28 0.2 . 1 . . . . . . . . 4836 1 822 . 1 1 146 146 LYS H H 1 7.89 0.02 . 1 . . . . . . . . 4836 1 823 . 1 1 146 146 LYS HA H 1 4.17 0.02 . 1 . . . . . . . . 4836 1 824 . 1 1 146 146 LYS C C 13 175.44 0.2 . 1 . . . . . . . . 4836 1 825 . 1 1 146 146 LYS CA C 13 54.87 0.2 . 1 . . . . . . . . 4836 1 826 . 1 1 146 146 LYS CB C 13 32.11 0.2 . 1 . . . . . . . . 4836 1 827 . 1 1 146 146 LYS N N 15 128.13 0.2 . 1 . . . . . . . . 4836 1 828 . 1 1 147 147 LYS H H 1 8.65 0.02 . 1 . . . . . . . . 4836 1 829 . 1 1 147 147 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 4836 1 830 . 1 1 147 147 LYS C C 13 178.28 0.2 . 1 . . . . . . . . 4836 1 831 . 1 1 147 147 LYS CA C 13 55.84 0.2 . 1 . . . . . . . . 4836 1 832 . 1 1 147 147 LYS CB C 13 32.35 0.2 . 1 . . . . . . . . 4836 1 833 . 1 1 147 147 LYS N N 15 123.99 0.2 . 1 . . . . . . . . 4836 1 834 . 1 1 148 148 ASN H H 1 9.73 0.02 . 1 . . . . . . . . 4836 1 835 . 1 1 148 148 ASN C C 13 176.11 0.2 . 1 . . . . . . . . 4836 1 836 . 1 1 148 148 ASN CA C 13 55.50 0.2 . 1 . . . . . . . . 4836 1 837 . 1 1 148 148 ASN CB C 13 37.11 0.2 . 1 . . . . . . . . 4836 1 838 . 1 1 148 148 ASN N N 15 121.00 0.2 . 1 . . . . . . . . 4836 1 839 . 1 1 149 149 ASP H H 1 7.93 0.02 . 1 . . . . . . . . 4836 1 840 . 1 1 149 149 ASP HA H 1 4.54 0.02 . 1 . . . . . . . . 4836 1 841 . 1 1 149 149 ASP C C 13 177.19 0.2 . 1 . . . . . . . . 4836 1 842 . 1 1 149 149 ASP CA C 13 52.83 0.2 . 1 . . . . . . . . 4836 1 843 . 1 1 149 149 ASP CB C 13 39.48 0.2 . 1 . . . . . . . . 4836 1 844 . 1 1 149 149 ASP N N 15 116.40 0.2 . 1 . . . . . . . . 4836 1 845 . 1 1 150 150 GLY H H 1 8.03 0.02 . 1 . . . . . . . . 4836 1 846 . 1 1 150 150 GLY HA2 H 1 4.17 0.02 . 1 . . . . . . . . 4836 1 847 . 1 1 150 150 GLY HA3 H 1 4.35 0.02 . 1 . . . . . . . . 4836 1 848 . 1 1 150 150 GLY C C 13 174.66 0.2 . 1 . . . . . . . . 4836 1 849 . 1 1 150 150 GLY CA C 13 44.90 0.2 . 1 . . . . . . . . 4836 1 850 . 1 1 150 150 GLY N N 15 107.77 0.2 . 1 . . . . . . . . 4836 1 851 . 1 1 151 151 THR H H 1 8.08 0.02 . 1 . . . . . . . . 4836 1 852 . 1 1 151 151 THR HA H 1 4.46 0.02 . 1 . . . . . . . . 4836 1 853 . 1 1 151 151 THR C C 13 173.52 0.2 . 1 . . . . . . . . 4836 1 854 . 1 1 151 151 THR CA C 13 61.66 0.2 . 1 . . . . . . . . 4836 1 855 . 1 1 151 151 THR CB C 13 70.15 0.2 . 1 . . . . . . . . 4836 1 856 . 1 1 151 151 THR N N 15 113.90 0.2 . 1 . . . . . . . . 4836 1 857 . 1 1 152 152 THR H H 1 8.19 0.02 . 1 . . . . . . . . 4836 1 858 . 1 1 152 152 THR HA H 1 5.19 0.02 . 1 . . . . . . . . 4836 1 859 . 1 1 152 152 THR C C 13 174.50 0.2 . 1 . . . . . . . . 4836 1 860 . 1 1 152 152 THR CA C 13 59.87 0.2 . 1 . . . . . . . . 4836 1 861 . 1 1 152 152 THR CB C 13 71.10 0.2 . 1 . . . . . . . . 4836 1 862 . 1 1 152 152 THR N N 15 110.00 0.2 . 1 . . . . . . . . 4836 1 863 . 1 1 153 153 VAL H H 1 8.67 0.02 . 1 . . . . . . . . 4836 1 864 . 1 1 153 153 VAL HA H 1 4.27 0.02 . 1 . . . . . . . . 4836 1 865 . 1 1 153 153 VAL C C 13 173.09 0.2 . 1 . . . . . . . . 4836 1 866 . 1 1 153 153 VAL CA C 13 59.47 0.2 . 1 . . . . . . . . 4836 1 867 . 1 1 153 153 VAL CB C 13 34.02 0.2 . 1 . . . . . . . . 4836 1 868 . 1 1 153 153 VAL N N 15 119.60 0.2 . 1 . . . . . . . . 4836 1 869 . 1 1 154 154 ASP H H 1 8.22 0.02 . 1 . . . . . . . . 4836 1 870 . 1 1 154 154 ASP HA H 1 4.81 0.02 . 1 . . . . . . . . 4836 1 871 . 1 1 154 154 ASP C C 13 174.91 0.2 . 1 . . . . . . . . 4836 1 872 . 1 1 154 154 ASP CA C 13 53.13 0.2 . 1 . . . . . . . . 4836 1 873 . 1 1 154 154 ASP CB C 13 40.43 0.2 . 1 . . . . . . . . 4836 1 874 . 1 1 154 154 ASP N N 15 124.61 0.2 . 1 . . . . . . . . 4836 1 875 . 1 1 155 155 LEU H H 1 8.94 0.02 . 1 . . . . . . . . 4836 1 876 . 1 1 155 155 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 4836 1 877 . 1 1 155 155 LEU C C 13 174.49 0.2 . 1 . . . . . . . . 4836 1 878 . 1 1 155 155 LEU CA C 13 53.22 0.2 . 1 . . . . . . . . 4836 1 879 . 1 1 155 155 LEU CB C 13 41.86 0.2 . 1 . . . . . . . . 4836 1 880 . 1 1 155 155 LEU N N 15 125.58 0.2 . 1 . . . . . . . . 4836 1 881 . 1 1 156 156 THR H H 1 7.84 0.02 . 1 . . . . . . . . 4836 1 882 . 1 1 156 156 THR HA H 1 5.48 0.02 . 1 . . . . . . . . 4836 1 883 . 1 1 156 156 THR C C 13 173.90 0.2 . 1 . . . . . . . . 4836 1 884 . 1 1 156 156 THR CA C 13 60.63 0.2 . 1 . . . . . . . . 4836 1 885 . 1 1 156 156 THR CB C 13 71.10 0.2 . 1 . . . . . . . . 4836 1 886 . 1 1 156 156 THR N N 15 116.06 0.2 . 1 . . . . . . . . 4836 1 887 . 1 1 157 157 VAL H H 1 8.68 0.02 . 1 . . . . . . . . 4836 1 888 . 1 1 157 157 VAL HA H 1 4.99 0.02 . 1 . . . . . . . . 4836 1 889 . 1 1 157 157 VAL C C 13 173.80 0.2 . 1 . . . . . . . . 4836 1 890 . 1 1 157 157 VAL CA C 13 57.94 0.2 . 1 . . . . . . . . 4836 1 891 . 1 1 157 157 VAL CB C 13 34.49 0.2 . 1 . . . . . . . . 4836 1 892 . 1 1 157 157 VAL N N 15 117.11 0.2 . 1 . . . . . . . . 4836 1 893 . 1 1 158 158 ASP H H 1 9.14 0.02 . 1 . . . . . . . . 4836 1 894 . 1 1 158 158 ASP HA H 1 4.49 0.02 . 1 . . . . . . . . 4836 1 895 . 1 1 158 158 ASP C C 13 175.63 0.2 . 1 . . . . . . . . 4836 1 896 . 1 1 158 158 ASP CA C 13 53.47 0.2 . 1 . . . . . . . . 4836 1 897 . 1 1 158 158 ASP CB C 13 42.34 0.2 . 1 . . . . . . . . 4836 1 898 . 1 1 158 158 ASP N N 15 120.95 0.2 . 1 . . . . . . . . 4836 1 899 . 1 1 159 159 GLN H H 1 8.20 0.02 . 1 . . . . . . . . 4836 1 900 . 1 1 159 159 GLN HA H 1 3.74 0.02 . 1 . . . . . . . . 4836 1 901 . 1 1 159 159 GLN C C 13 172.51 0.2 . 1 . . . . . . . . 4836 1 902 . 1 1 159 159 GLN CA C 13 57.40 0.2 . 1 . . . . . . . . 4836 1 903 . 1 1 159 159 GLN CB C 13 26.17 0.2 . 1 . . . . . . . . 4836 1 904 . 1 1 159 159 GLN N N 15 112.03 0.2 . 1 . . . . . . . . 4836 1 905 . 1 1 160 160 ALA H H 1 8.33 0.02 . 1 . . . . . . . . 4836 1 906 . 1 1 160 160 ALA HA H 1 4.93 0.02 . 1 . . . . . . . . 4836 1 907 . 1 1 160 160 ALA C C 13 175.18 0.2 . 1 . . . . . . . . 4836 1 908 . 1 1 160 160 ALA CA C 13 49.44 0.2 . 1 . . . . . . . . 4836 1 909 . 1 1 160 160 ALA CB C 13 21.42 0.2 . 1 . . . . . . . . 4836 1 910 . 1 1 160 160 ALA N N 15 126.85 0.2 . 1 . . . . . . . . 4836 1 911 . 1 1 161 161 TRP H H 1 9.23 0.02 . 1 . . . . . . . . 4836 1 912 . 1 1 161 161 TRP HA H 1 5.20 0.02 . 1 . . . . . . . . 4836 1 913 . 1 1 161 161 TRP C C 13 176.03 0.2 . 1 . . . . . . . . 4836 1 914 . 1 1 161 161 TRP CA C 13 55.17 0.2 . 1 . . . . . . . . 4836 1 915 . 1 1 161 161 TRP CB C 13 31.16 0.2 . 1 . . . . . . . . 4836 1 916 . 1 1 161 161 TRP N N 15 123.75 0.2 . 1 . . . . . . . . 4836 1 917 . 1 1 162 162 ARG H H 1 9.29 0.02 . 1 . . . . . . . . 4836 1 918 . 1 1 162 162 ARG HA H 1 5.38 0.02 . 1 . . . . . . . . 4836 1 919 . 1 1 162 162 ARG C C 13 175.25 0.2 . 1 . . . . . . . . 4836 1 920 . 1 1 162 162 ARG CA C 13 54.45 0.2 . 1 . . . . . . . . 4836 1 921 . 1 1 162 162 ARG CB C 13 33.06 0.2 . 1 . . . . . . . . 4836 1 922 . 1 1 162 162 ARG N N 15 122.19 0.2 . 1 . . . . . . . . 4836 1 923 . 1 1 163 163 GLY H H 1 9.03 0.02 . 1 . . . . . . . . 4836 1 924 . 1 1 163 163 GLY C C 13 172.31 0.2 . 1 . . . . . . . . 4836 1 925 . 1 1 163 163 GLY CA C 13 43.16 0.2 . 1 . . . . . . . . 4836 1 926 . 1 1 163 163 GLY N N 15 114.21 0.2 . 1 . . . . . . . . 4836 1 927 . 1 1 164 164 LYS H H 1 8.81 0.02 . 1 . . . . . . . . 4836 1 928 . 1 1 164 164 LYS HA H 1 5.02 0.02 . 1 . . . . . . . . 4836 1 929 . 1 1 164 164 LYS C C 13 175.58 0.2 . 1 . . . . . . . . 4836 1 930 . 1 1 164 164 LYS CA C 13 55.14 0.2 . 1 . . . . . . . . 4836 1 931 . 1 1 164 164 LYS CB C 13 34.02 0.2 . 1 . . . . . . . . 4836 1 932 . 1 1 164 164 LYS N N 15 122.56 0.2 . 1 . . . . . . . . 4836 1 933 . 1 1 165 165 GLY H H 1 7.72 0.02 . 1 . . . . . . . . 4836 1 934 . 1 1 165 165 GLY HA2 H 1 3.93 0.02 . 1 . . . . . . . . 4836 1 935 . 1 1 165 165 GLY HA3 H 1 4.17 0.02 . 1 . . . . . . . . 4836 1 936 . 1 1 165 165 GLY C C 13 170.69 0.2 . 1 . . . . . . . . 4836 1 937 . 1 1 165 165 GLY CA C 13 44.18 0.2 . 1 . . . . . . . . 4836 1 938 . 1 1 165 165 GLY N N 15 110.46 0.2 . 1 . . . . . . . . 4836 1 939 . 1 1 166 166 GLU H H 1 8.19 0.02 . 1 . . . . . . . . 4836 1 940 . 1 1 166 166 GLU HA H 1 4.51 0.02 . 1 . . . . . . . . 4836 1 941 . 1 1 166 166 GLU C C 13 175.23 0.2 . 1 . . . . . . . . 4836 1 942 . 1 1 166 166 GLU CA C 13 54.33 0.2 . 1 . . . . . . . . 4836 1 943 . 1 1 166 166 GLU CB C 13 29.26 0.2 . 1 . . . . . . . . 4836 1 944 . 1 1 166 166 GLU N N 15 117.87 0.2 . 1 . . . . . . . . 4836 1 945 . 1 1 167 167 GLY H H 1 8.54 0.02 . 1 . . . . . . . . 4836 1 946 . 1 1 167 167 GLY HA2 H 1 4.41 0.02 . 1 . . . . . . . . 4836 1 947 . 1 1 167 167 GLY C C 13 172.78 0.2 . 1 . . . . . . . . 4836 1 948 . 1 1 167 167 GLY CA C 13 44.00 0.2 . 1 . . . . . . . . 4836 1 949 . 1 1 167 167 GLY N N 15 110.18 0.2 . 1 . . . . . . . . 4836 1 950 . 1 1 168 168 LEU H H 1 7.67 0.02 . 1 . . . . . . . . 4836 1 951 . 1 1 168 168 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 4836 1 952 . 1 1 168 168 LEU CA C 13 51.73 0.2 . 1 . . . . . . . . 4836 1 953 . 1 1 168 168 LEU CB C 13 43.52 0.2 . 1 . . . . . . . . 4836 1 954 . 1 1 168 168 LEU N N 15 120.82 0.2 . 1 . . . . . . . . 4836 1 955 . 1 1 169 169 PRO C C 13 179.06 0.2 . 1 . . . . . . . . 4836 1 956 . 1 1 169 169 PRO CA C 13 65.44 0.2 . 1 . . . . . . . . 4836 1 957 . 1 1 169 169 PRO CB C 13 31.40 0.2 . 1 . . . . . . . . 4836 1 958 . 1 1 170 170 GLY H H 1 8.96 0.02 . 1 . . . . . . . . 4836 1 959 . 1 1 170 170 GLY HA2 H 1 3.74 0.02 . 1 . . . . . . . . 4836 1 960 . 1 1 170 170 GLY HA3 H 1 3.93 0.02 . 1 . . . . . . . . 4836 1 961 . 1 1 170 170 GLY C C 13 174.46 0.2 . 1 . . . . . . . . 4836 1 962 . 1 1 170 170 GLY CA C 13 45.64 0.2 . 1 . . . . . . . . 4836 1 963 . 1 1 170 170 GLY N N 15 105.33 0.2 . 1 . . . . . . . . 4836 1 964 . 1 1 171 171 MET H H 1 7.95 0.02 . 1 . . . . . . . . 4836 1 965 . 1 1 171 171 MET C C 13 179.05 0.2 . 1 . . . . . . . . 4836 1 966 . 1 1 171 171 MET CA C 13 56.16 0.2 . 1 . . . . . . . . 4836 1 967 . 1 1 171 171 MET CB C 13 33.06 0.2 . 1 . . . . . . . . 4836 1 968 . 1 1 171 171 MET N N 15 113.64 0.2 . 1 . . . . . . . . 4836 1 969 . 1 1 172 172 CYS H H 1 8.06 0.02 . 1 . . . . . . . . 4836 1 970 . 1 1 172 172 CYS HA H 1 5.01 0.02 . 1 . . . . . . . . 4836 1 971 . 1 1 172 172 CYS C C 13 173.97 0.2 . 1 . . . . . . . . 4836 1 972 . 1 1 172 172 CYS CA C 13 61.50 0.2 . 1 . . . . . . . . 4836 1 973 . 1 1 172 172 CYS CB C 13 28.55 0.2 . 1 . . . . . . . . 4836 1 974 . 1 1 172 172 CYS N N 15 116.66 0.2 . 1 . . . . . . . . 4836 1 975 . 1 1 173 173 GLY H H 1 9.44 0.02 . 1 . . . . . . . . 4836 1 976 . 1 1 173 173 GLY HA2 H 1 4.23 0.02 . 1 . . . . . . . . 4836 1 977 . 1 1 173 173 GLY HA3 H 1 4.82 0.2 . 1 . . . . . . . . 4836 1 978 . 1 1 173 173 GLY C C 13 172.62 0.2 . 1 . . . . . . . . 4836 1 979 . 1 1 173 173 GLY CA C 13 44.82 0.2 . 1 . . . . . . . . 4836 1 980 . 1 1 173 173 GLY N N 15 112.95 0.2 . 1 . . . . . . . . 4836 1 981 . 1 1 174 174 GLY H H 1 8.28 0.02 . 1 . . . . . . . . 4836 1 982 . 1 1 174 174 GLY HA2 H 1 4.02 0.02 . 1 . . . . . . . . 4836 1 983 . 1 1 174 174 GLY HA3 H 1 4.30 0.02 . 1 . . . . . . . . 4836 1 984 . 1 1 174 174 GLY C C 13 171.62 0.2 . 1 . . . . . . . . 4836 1 985 . 1 1 174 174 GLY CA C 13 44.56 0.2 . 1 . . . . . . . . 4836 1 986 . 1 1 174 174 GLY N N 15 110.20 0.2 . 1 . . . . . . . . 4836 1 987 . 1 1 175 175 ALA H H 1 8.09 0.02 . 1 . . . . . . . . 4836 1 988 . 1 1 175 175 ALA HA H 1 5.24 0.02 . 1 . . . . . . . . 4836 1 989 . 1 1 175 175 ALA C C 13 175.14 0.2 . 1 . . . . . . . . 4836 1 990 . 1 1 175 175 ALA CA C 13 49.87 0.2 . 1 . . . . . . . . 4836 1 991 . 1 1 175 175 ALA CB C 13 23.08 0.2 . 1 . . . . . . . . 4836 1 992 . 1 1 175 175 ALA N N 15 119.02 0.2 . 1 . . . . . . . . 4836 1 993 . 1 1 176 176 LEU H H 1 7.95 0.02 . 1 . . . . . . . . 4836 1 994 . 1 1 176 176 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 4836 1 995 . 1 1 176 176 LEU C C 13 176.29 0.2 . 1 . . . . . . . . 4836 1 996 . 1 1 176 176 LEU CA C 13 52.89 0.2 . 1 . . . . . . . . 4836 1 997 . 1 1 176 176 LEU CB C 13 37.34 0.2 . 1 . . . . . . . . 4836 1 998 . 1 1 176 176 LEU N N 15 125.20 0.2 . 1 . . . . . . . . 4836 1 999 . 1 1 177 177 VAL H H 1 9.45 0.02 . 1 . . . . . . . . 4836 1 1000 . 1 1 177 177 VAL C C 13 179.28 0.2 . 1 . . . . . . . . 4836 1 1001 . 1 1 177 177 VAL CA C 13 58.03 0.2 . 1 . . . . . . . . 4836 1 1002 . 1 1 177 177 VAL CB C 13 28.08 0.2 . 1 . . . . . . . . 4836 1 1003 . 1 1 177 177 VAL N N 15 130.05 0.2 . 1 . . . . . . . . 4836 1 1004 . 1 1 178 178 SER H H 1 8.72 0.02 . 1 . . . . . . . . 4836 1 1005 . 1 1 178 178 SER HA H 1 4.40 0.02 . 1 . . . . . . . . 4836 1 1006 . 1 1 178 178 SER C C 13 179.38 0.2 . 1 . . . . . . . . 4836 1 1007 . 1 1 178 178 SER CA C 13 61.14 0.2 . 1 . . . . . . . . 4836 1 1008 . 1 1 178 178 SER CB C 13 62.36 0.2 . 1 . . . . . . . . 4836 1 1009 . 1 1 178 178 SER N N 15 117.92 0.2 . 1 . . . . . . . . 4836 1 1010 . 1 1 179 179 SER H H 1 8.04 0.02 . 1 . . . . . . . . 4836 1 1011 . 1 1 179 179 SER HA H 1 4.36 0.02 . 1 . . . . . . . . 4836 1 1012 . 1 1 179 179 SER C C 13 175.88 0.2 . 1 . . . . . . . . 4836 1 1013 . 1 1 179 179 SER CA C 13 59.42 0.2 . 1 . . . . . . . . 4836 1 1014 . 1 1 179 179 SER CB C 13 63.49 0.2 . 1 . . . . . . . . 4836 1 1015 . 1 1 179 179 SER N N 15 119.91 0.2 . 1 . . . . . . . . 4836 1 1016 . 1 1 180 180 ASN H H 1 8.49 0.02 . 1 . . . . . . . . 4836 1 1017 . 1 1 180 180 ASN HA H 1 4.49 0.02 . 1 . . . . . . . . 4836 1 1018 . 1 1 180 180 ASN CA C 13 52.81 0.2 . 1 . . . . . . . . 4836 1 1019 . 1 1 180 180 ASN CB C 13 37.34 0.2 . 1 . . . . . . . . 4836 1 1020 . 1 1 180 180 ASN N N 15 119.39 0.2 . 1 . . . . . . . . 4836 1 1021 . 1 1 181 181 GLN C C 13 174.94 0.2 . 1 . . . . . . . . 4836 1 1022 . 1 1 181 181 GLN CA C 13 59.31 0.2 . 1 . . . . . . . . 4836 1 1023 . 1 1 182 182 SER H H 1 7.56 0.02 . 1 . . . . . . . . 4836 1 1024 . 1 1 182 182 SER HA H 1 4.10 0.02 . 1 . . . . . . . . 4836 1 1025 . 1 1 182 182 SER C C 13 175.20 0.2 . 1 . . . . . . . . 4836 1 1026 . 1 1 182 182 SER CA C 13 59.62 0.2 . 1 . . . . . . . . 4836 1 1027 . 1 1 182 182 SER CB C 13 64.21 0.2 . 1 . . . . . . . . 4836 1 1028 . 1 1 182 182 SER N N 15 119.17 0.2 . 1 . . . . . . . . 4836 1 1029 . 1 1 183 183 ILE H H 1 6.50 0.02 . 1 . . . . . . . . 4836 1 1030 . 1 1 183 183 ILE HA H 1 4.63 0.02 . 1 . . . . . . . . 4836 1 1031 . 1 1 183 183 ILE C C 13 175.20 0.2 . 1 . . . . . . . . 4836 1 1032 . 1 1 183 183 ILE CA C 13 59.97 0.2 . 1 . . . . . . . . 4836 1 1033 . 1 1 183 183 ILE CB C 13 35.44 0.2 . 1 . . . . . . . . 4836 1 1034 . 1 1 183 183 ILE N N 15 110.44 0.2 . 1 . . . . . . . . 4836 1 1035 . 1 1 184 184 GLN H H 1 7.83 0.02 . 1 . . . . . . . . 4836 1 1036 . 1 1 184 184 GLN HA H 1 3.79 0.02 . 1 . . . . . . . . 4836 1 1037 . 1 1 184 184 GLN C C 13 175.41 0.2 . 1 . . . . . . . . 4836 1 1038 . 1 1 184 184 GLN CA C 13 56.62 0.2 . 1 . . . . . . . . 4836 1 1039 . 1 1 184 184 GLN CB C 13 24.98 0.2 . 1 . . . . . . . . 4836 1 1040 . 1 1 184 184 GLN N N 15 116.60 0.2 . 1 . . . . . . . . 4836 1 1041 . 1 1 185 185 ASN H H 1 7.99 0.02 . 1 . . . . . . . . 4836 1 1042 . 1 1 185 185 ASN HA H 1 3.79 0.02 . 1 . . . . . . . . 4836 1 1043 . 1 1 185 185 ASN C C 13 171.22 0.2 . 1 . . . . . . . . 4836 1 1044 . 1 1 185 185 ASN CA C 13 55.56 0.2 . 1 . . . . . . . . 4836 1 1045 . 1 1 185 185 ASN CB C 13 36.87 0.2 . 1 . . . . . . . . 4836 1 1046 . 1 1 185 185 ASN N N 15 109.79 0.2 . 1 . . . . . . . . 4836 1 1047 . 1 1 186 186 ALA H H 1 5.79 0.02 . 1 . . . . . . . . 4836 1 1048 . 1 1 186 186 ALA HA H 1 4.12 0.02 . 1 . . . . . . . . 4836 1 1049 . 1 1 186 186 ALA C C 13 176.78 0.2 . 1 . . . . . . . . 4836 1 1050 . 1 1 186 186 ALA CA C 13 52.21 0.2 . 1 . . . . . . . . 4836 1 1051 . 1 1 186 186 ALA CB C 13 19.04 0.2 . 1 . . . . . . . . 4836 1 1052 . 1 1 186 186 ALA N N 15 110.04 0.2 . 1 . . . . . . . . 4836 1 1053 . 1 1 187 187 ILE H H 1 8.71 0.02 . 1 . . . . . . . . 4836 1 1054 . 1 1 187 187 ILE HA H 1 4.53 0.02 . 1 . . . . . . . . 4836 1 1055 . 1 1 187 187 ILE C C 13 175.42 0.2 . 1 . . . . . . . . 4836 1 1056 . 1 1 187 187 ILE CA C 13 61.49 0.2 . 1 . . . . . . . . 4836 1 1057 . 1 1 187 187 ILE CB C 13 37.11 0.2 . 1 . . . . . . . . 4836 1 1058 . 1 1 187 187 ILE N N 15 118.85 0.2 . 1 . . . . . . . . 4836 1 1059 . 1 1 188 188 LEU H H 1 9.95 0.02 . 1 . . . . . . . . 4836 1 1060 . 1 1 188 188 LEU HA H 1 5.51 0.02 . 1 . . . . . . . . 4836 1 1061 . 1 1 188 188 LEU C C 13 178.90 0.2 . 1 . . . . . . . . 4836 1 1062 . 1 1 188 188 LEU CA C 13 53.78 0.2 . 1 . . . . . . . . 4836 1 1063 . 1 1 188 188 LEU CB C 13 43.05 0.2 . 1 . . . . . . . . 4836 1 1064 . 1 1 188 188 LEU N N 15 123.93 0.2 . 1 . . . . . . . . 4836 1 1065 . 1 1 189 189 GLY H H 1 7.32 0.02 . 1 . . . . . . . . 4836 1 1066 . 1 1 189 189 GLY C C 13 171.06 0.2 . 1 . . . . . . . . 4836 1 1067 . 1 1 189 189 GLY CA C 13 45.32 0.2 . 1 . . . . . . . . 4836 1 1068 . 1 1 189 189 GLY N N 15 102.05 0.2 . 1 . . . . . . . . 4836 1 1069 . 1 1 190 190 ILE H H 1 7.93 0.02 . 1 . . . . . . . . 4836 1 1070 . 1 1 190 190 ILE HA H 1 5.25 0.02 . 1 . . . . . . . . 4836 1 1071 . 1 1 190 190 ILE C C 13 175.18 0.2 . 1 . . . . . . . . 4836 1 1072 . 1 1 190 190 ILE CA C 13 55.40 0.2 . 1 . . . . . . . . 4836 1 1073 . 1 1 190 190 ILE CB C 13 39.87 0.2 . 1 . . . . . . . . 4836 1 1074 . 1 1 190 190 ILE N N 15 118.40 0.2 . 1 . . . . . . . . 4836 1 1075 . 1 1 191 191 HIS H H 1 8.87 0.02 . 1 . . . . . . . . 4836 1 1076 . 1 1 191 191 HIS HA H 1 4.44 0.02 . 1 . . . . . . . . 4836 1 1077 . 1 1 191 191 HIS C C 13 175.60 0.2 . 1 . . . . . . . . 4836 1 1078 . 1 1 191 191 HIS CA C 13 58.96 0.2 . 1 . . . . . . . . 4836 1 1079 . 1 1 191 191 HIS CB C 13 32.33 0.2 . 1 . . . . . . . . 4836 1 1080 . 1 1 191 191 HIS N N 15 127.19 0.2 . 1 . . . . . . . . 4836 1 1081 . 1 1 192 192 VAL H H 1 8.78 0.02 . 1 . . . . . . . . 4836 1 1082 . 1 1 192 192 VAL HA H 1 3.99 0.02 . 1 . . . . . . . . 4836 1 1083 . 1 1 192 192 VAL C C 13 173.90 0.2 . 1 . . . . . . . . 4836 1 1084 . 1 1 192 192 VAL CA C 13 61.34 0.2 . 1 . . . . . . . . 4836 1 1085 . 1 1 192 192 VAL N N 15 119.03 0.2 . 1 . . . . . . . . 4836 1 1086 . 1 1 193 193 ALA H H 1 6.96 0.02 . 1 . . . . . . . . 4836 1 1087 . 1 1 193 193 ALA HA H 1 4.20 0.02 . 1 . . . . . . . . 4836 1 1088 . 1 1 193 193 ALA C C 13 175.22 0.2 . 1 . . . . . . . . 4836 1 1089 . 1 1 193 193 ALA CA C 13 52.30 0.2 . 1 . . . . . . . . 4836 1 1090 . 1 1 193 193 ALA CB C 13 21.18 0.2 . 1 . . . . . . . . 4836 1 1091 . 1 1 193 193 ALA N N 15 119.55 0.2 . 1 . . . . . . . . 4836 1 1092 . 1 1 194 194 GLY H H 1 7.92 0.02 . 1 . . . . . . . . 4836 1 1093 . 1 1 194 194 GLY HA2 H 1 5.09 0.02 . 5 . . . . . . . . 4836 1 1094 . 1 1 194 194 GLY HA3 H 1 5.00 0.02 . 5 . . . . . . . . 4836 1 1095 . 1 1 194 194 GLY C C 13 172.84 0.2 . 1 . . . . . . . . 4836 1 1096 . 1 1 194 194 GLY CA C 13 44.88 0.2 . 1 . . . . . . . . 4836 1 1097 . 1 1 194 194 GLY N N 15 107.32 0.2 . 1 . . . . . . . . 4836 1 1098 . 1 1 195 195 GLY H H 1 7.23 0.02 . 1 . . . . . . . . 4836 1 1099 . 1 1 195 195 GLY HA2 H 1 4.40 0.02 . 1 . . . . . . . . 4836 1 1100 . 1 1 195 195 GLY HA3 H 1 4.16 0.02 . 1 . . . . . . . . 4836 1 1101 . 1 1 195 195 GLY C C 13 174.21 0.02 . 1 . . . . . . . . 4836 1 1102 . 1 1 195 195 GLY CA C 13 44.54 0.2 . 1 . . . . . . . . 4836 1 1103 . 1 1 195 195 GLY N N 15 96.23 0.2 . 1 . . . . . . . . 4836 1 1104 . 1 1 196 196 ASN H H 1 9.26 0.02 . 1 . . . . . . . . 4836 1 1105 . 1 1 196 196 ASN HA H 1 4.49 0.02 . 1 . . . . . . . . 4836 1 1106 . 1 1 196 196 ASN C C 13 174.54 0.2 . 1 . . . . . . . . 4836 1 1107 . 1 1 196 196 ASN CA C 13 54.32 0.2 . 1 . . . . . . . . 4836 1 1108 . 1 1 196 196 ASN CB C 13 37.11 0.2 . 1 . . . . . . . . 4836 1 1109 . 1 1 196 196 ASN N N 15 120.63 0.2 . 1 . . . . . . . . 4836 1 1110 . 1 1 197 197 SER H H 1 8.65 0.02 . 1 . . . . . . . . 4836 1 1111 . 1 1 197 197 SER HA H 1 4.49 0.02 . 1 . . . . . . . . 4836 1 1112 . 1 1 197 197 SER C C 13 174.01 0.2 . 1 . . . . . . . . 4836 1 1113 . 1 1 197 197 SER CA C 13 59.75 0.2 . 1 . . . . . . . . 4836 1 1114 . 1 1 197 197 SER CB C 13 62.07 0.2 . 1 . . . . . . . . 4836 1 1115 . 1 1 197 197 SER N N 15 108.12 0.2 . 1 . . . . . . . . 4836 1 1116 . 1 1 198 198 ILE H H 1 7.81 0.02 . 1 . . . . . . . . 4836 1 1117 . 1 1 198 198 ILE HA H 1 4.77 0.02 . 1 . . . . . . . . 4836 1 1118 . 1 1 198 198 ILE C C 13 174.49 0.2 . 1 . . . . . . . . 4836 1 1119 . 1 1 198 198 ILE CA C 13 59.16 0.2 . 1 . . . . . . . . 4836 1 1120 . 1 1 198 198 ILE CB C 13 39.96 0.2 . 1 . . . . . . . . 4836 1 1121 . 1 1 198 198 ILE N N 15 120.25 0.2 . 1 . . . . . . . . 4836 1 1122 . 1 1 199 199 LEU H H 1 8.29 0.02 . 1 . . . . . . . . 4836 1 1123 . 1 1 199 199 LEU HA H 1 4.79 0.02 . 1 . . . . . . . . 4836 1 1124 . 1 1 199 199 LEU C C 13 175.72 0.2 . 1 . . . . . . . . 4836 1 1125 . 1 1 199 199 LEU CA C 13 53.12 0.2 . 1 . . . . . . . . 4836 1 1126 . 1 1 199 199 LEU CB C 13 41.87 0.2 . 1 . . . . . . . . 4836 1 1127 . 1 1 199 199 LEU N N 15 124.46 0.2 . 1 . . . . . . . . 4836 1 1128 . 1 1 200 200 VAL H H 1 8.92 0.02 . 1 . . . . . . . . 4836 1 1129 . 1 1 200 200 VAL HA H 1 5.10 0.02 . 1 . . . . . . . . 4836 1 1130 . 1 1 200 200 VAL C C 13 173.68 0.2 . 1 . . . . . . . . 4836 1 1131 . 1 1 200 200 VAL CA C 13 60.59 0.2 . 1 . . . . . . . . 4836 1 1132 . 1 1 200 200 VAL CB C 13 33.78 0.2 . 1 . . . . . . . . 4836 1 1133 . 1 1 200 200 VAL N N 15 123.99 0.2 . 1 . . . . . . . . 4836 1 1134 . 1 1 201 201 ALA H H 1 8.67 0.02 . 1 . . . . . . . . 4836 1 1135 . 1 1 201 201 ALA HA H 1 5.34 0.02 . 1 . . . . . . . . 4836 1 1136 . 1 1 201 201 ALA C C 13 176.52 0.2 . 1 . . . . . . . . 4836 1 1137 . 1 1 201 201 ALA CA C 13 49.34 0.2 . 1 . . . . . . . . 4836 1 1138 . 1 1 201 201 ALA CB C 13 21.18 0.2 . 1 . . . . . . . . 4836 1 1139 . 1 1 201 201 ALA N N 15 127.08 0.2 . 1 . . . . . . . . 4836 1 1140 . 1 1 202 202 LYS H H 1 8.70 0.02 . 1 . . . . . . . . 4836 1 1141 . 1 1 202 202 LYS HA H 1 3.93 0.02 . 1 . . . . . . . . 4836 1 1142 . 1 1 202 202 LYS C C 13 176.29 0.2 . 1 . . . . . . . . 4836 1 1143 . 1 1 202 202 LYS CA C 13 54.27 0.2 . 1 . . . . . . . . 4836 1 1144 . 1 1 202 202 LYS CB C 13 33.30 0.2 . 1 . . . . . . . . 4836 1 1145 . 1 1 202 202 LYS N N 15 124.00 0.2 . 1 . . . . . . . . 4836 1 1146 . 1 1 203 203 LEU H H 1 8.44 0.02 . 1 . . . . . . . . 4836 1 1147 . 1 1 203 203 LEU HA H 1 4.40 0.02 . 1 . . . . . . . . 4836 1 1148 . 1 1 203 203 LEU C C 13 176.08 0.2 . 1 . . . . . . . . 4836 1 1149 . 1 1 203 203 LEU CA C 13 56.56 0.2 . 1 . . . . . . . . 4836 1 1150 . 1 1 203 203 LEU CB C 13 41.62 0.2 . 1 . . . . . . . . 4836 1 1151 . 1 1 203 203 LEU N N 15 128.24 0.2 . 1 . . . . . . . . 4836 1 1152 . 1 1 204 204 VAL H H 1 7.95 0.02 . 1 . . . . . . . . 4836 1 1153 . 1 1 204 204 VAL HA H 1 4.10 0.02 . 1 . . . . . . . . 4836 1 1154 . 1 1 204 204 VAL C C 13 173.32 0.2 . 1 . . . . . . . . 4836 1 1155 . 1 1 204 204 VAL CA C 13 60.94 0.2 . 1 . . . . . . . . 4836 1 1156 . 1 1 204 204 VAL CB C 13 34.73 0.2 . 1 . . . . . . . . 4836 1 1157 . 1 1 204 204 VAL N N 15 129.08 0.2 . 1 . . . . . . . . 4836 1 1158 . 1 1 205 205 THR H H 1 7.65 0.02 . 1 . . . . . . . . 4836 1 1159 . 1 1 205 205 THR HA H 1 5.48 0.02 . 1 . . . . . . . . 4836 1 1160 . 1 1 205 205 THR C C 13 176.44 0.2 . 1 . . . . . . . . 4836 1 1161 . 1 1 205 205 THR CA C 13 57.50 0.2 . 1 . . . . . . . . 4836 1 1162 . 1 1 205 205 THR CB C 13 71.34 0.2 . 1 . . . . . . . . 4836 1 1163 . 1 1 205 205 THR N N 15 110.95 0.2 . 1 . . . . . . . . 4836 1 1164 . 1 1 206 206 GLN H H 1 8.80 0.02 . 1 . . . . . . . . 4836 1 1165 . 1 1 206 206 GLN HA H 1 4.40 0.02 . 1 . . . . . . . . 4836 1 1166 . 1 1 206 206 GLN C C 13 179.26 0.2 . 1 . . . . . . . . 4836 1 1167 . 1 1 206 206 GLN CA C 13 58.45 0.2 . 1 . . . . . . . . 4836 1 1168 . 1 1 206 206 GLN CB C 13 28.79 0.2 . 1 . . . . . . . . 4836 1 1169 . 1 1 206 206 GLN N N 15 117.99 0.2 . 1 . . . . . . . . 4836 1 1170 . 1 1 207 207 GLU H H 1 9.49 0.02 . 1 . . . . . . . . 4836 1 1171 . 1 1 207 207 GLU HA H 1 3.93 0.02 . 1 . . . . . . . . 4836 1 1172 . 1 1 207 207 GLU C C 13 179.18 0.2 . 1 . . . . . . . . 4836 1 1173 . 1 1 207 207 GLU CA C 13 60.34 0.2 . 1 . . . . . . . . 4836 1 1174 . 1 1 207 207 GLU CB C 13 27.36 0.2 . 1 . . . . . . . . 4836 1 1175 . 1 1 207 207 GLU N N 15 118.88 0.2 . 1 . . . . . . . . 4836 1 1176 . 1 1 208 208 MET H H 1 7.63 0.02 . 1 . . . . . . . . 4836 1 1177 . 1 1 208 208 MET HA H 1 4.00 0.02 . 1 . . . . . . . . 4836 1 1178 . 1 1 208 208 MET C C 13 176.99 0.2 . 1 . . . . . . . . 4836 1 1179 . 1 1 208 208 MET CA C 13 57.96 0.2 . 1 . . . . . . . . 4836 1 1180 . 1 1 208 208 MET CB C 13 30.45 0.2 . 1 . . . . . . . . 4836 1 1181 . 1 1 208 208 MET N N 15 117.77 0.2 . 1 . . . . . . . . 4836 1 1182 . 1 1 209 209 PHE H H 1 7.12 0.02 . 1 . . . . . . . . 4836 1 1183 . 1 1 209 209 PHE HA H 1 4.30 0.02 . 1 . . . . . . . . 4836 1 1184 . 1 1 209 209 PHE C C 13 176.93 0.2 . 1 . . . . . . . . 4836 1 1185 . 1 1 209 209 PHE CA C 13 57.33 0.2 . 1 . . . . . . . . 4836 1 1186 . 1 1 209 209 PHE CB C 13 37.11 0.2 . 1 . . . . . . . . 4836 1 1187 . 1 1 209 209 PHE N N 15 113.74 0.2 . 1 . . . . . . . . 4836 1 1188 . 1 1 210 210 GLN H H 1 7.48 0.02 . 1 . . . . . . . . 4836 1 1189 . 1 1 210 210 GLN HA H 1 4.07 0.02 . 1 . . . . . . . . 4836 1 1190 . 1 1 210 210 GLN C C 13 176.85 0.2 . 1 . . . . . . . . 4836 1 1191 . 1 1 210 210 GLN CA C 13 57.93 0.2 . 1 . . . . . . . . 4836 1 1192 . 1 1 210 210 GLN CB C 13 27.84 0.2 . 1 . . . . . . . . 4836 1 1193 . 1 1 210 210 GLN N N 15 119.32 0.2 . 1 . . . . . . . . 4836 1 1194 . 1 1 211 211 ASN H H 1 7.93 0.02 . 1 . . . . . . . . 4836 1 1195 . 1 1 211 211 ASN HA H 1 4.59 0.02 . 1 . . . . . . . . 4836 1 1196 . 1 1 211 211 ASN C C 13 176.11 0.2 . 1 . . . . . . . . 4836 1 1197 . 1 1 211 211 ASN CA C 13 54.02 0.2 . 1 . . . . . . . . 4836 1 1198 . 1 1 211 211 ASN CB C 13 38.06 0.2 . 1 . . . . . . . . 4836 1 1199 . 1 1 211 211 ASN N N 15 114.48 0.2 . 1 . . . . . . . . 4836 1 1200 . 1 1 212 212 ILE H H 1 7.15 0.02 . 1 . . . . . . . . 4836 1 1201 . 1 1 212 212 ILE HA H 1 3.55 0.02 . 1 . . . . . . . . 4836 1 1202 . 1 1 212 212 ILE C C 13 175.62 0.2 . 1 . . . . . . . . 4836 1 1203 . 1 1 212 212 ILE CA C 13 62.65 0.2 . 1 . . . . . . . . 4836 1 1204 . 1 1 212 212 ILE CB C 13 36.87 0.2 . 1 . . . . . . . . 4836 1 1205 . 1 1 212 212 ILE N N 15 115.26 0.2 . 1 . . . . . . . . 4836 1 1206 . 1 1 213 213 ASP H H 1 7.54 0.02 . 1 . . . . . . . . 4836 1 1207 . 1 1 213 213 ASP HA H 1 4.63 0.02 . 1 . . . . . . . . 4836 1 1208 . 1 1 213 213 ASP C C 13 175.67 0.2 . 1 . . . . . . . . 4836 1 1209 . 1 1 213 213 ASP CA C 13 53.94 0.2 . 1 . . . . . . . . 4836 1 1210 . 1 1 213 213 ASP CB C 13 40.43 0.2 . 1 . . . . . . . . 4836 1 1211 . 1 1 213 213 ASP N N 15 120.48 0.2 . 1 . . . . . . . . 4836 1 1212 . 1 1 214 214 LYS H H 1 7.73 0.02 . 1 . . . . . . . . 4836 1 1213 . 1 1 214 214 LYS HA H 1 4.26 0.02 . 1 . . . . . . . . 4836 1 1214 . 1 1 214 214 LYS C C 13 176.20 0.2 . 1 . . . . . . . . 4836 1 1215 . 1 1 214 214 LYS CA C 13 55.94 0.2 . 1 . . . . . . . . 4836 1 1216 . 1 1 214 214 LYS CB C 13 32.39 0.2 . 1 . . . . . . . . 4836 1 1217 . 1 1 214 214 LYS N N 15 120.74 0.2 . 1 . . . . . . . . 4836 1 1218 . 1 1 215 215 LYS H H 1 8.39 0.02 . 1 . . . . . . . . 4836 1 1219 . 1 1 215 215 LYS HA H 1 4.35 0.02 . 1 . . . . . . . . 4836 1 1220 . 1 1 215 215 LYS C C 13 176.35 0.2 . 1 . . . . . . . . 4836 1 1221 . 1 1 215 215 LYS CA C 13 55.83 0.2 . 1 . . . . . . . . 4836 1 1222 . 1 1 215 215 LYS CB C 13 32.11 0.2 . 1 . . . . . . . . 4836 1 1223 . 1 1 215 215 LYS N N 15 123.29 0.2 . 1 . . . . . . . . 4836 1 1224 . 1 1 216 216 ILE H H 1 8.29 0.02 . 1 . . . . . . . . 4836 1 1225 . 1 1 216 216 ILE HA H 1 4.20 0.02 . 1 . . . . . . . . 4836 1 1226 . 1 1 216 216 ILE C C 13 175.37 0.2 . 1 . . . . . . . . 4836 1 1227 . 1 1 216 216 ILE CA C 13 60.69 0.2 . 1 . . . . . . . . 4836 1 1228 . 1 1 216 216 ILE CB C 13 37.82 0.2 . 1 . . . . . . . . 4836 1 1229 . 1 1 216 216 ILE N N 15 123.37 0.2 . 1 . . . . . . . . 4836 1 1230 . 1 1 217 217 GLU H H 1 8.01 0.02 . 1 . . . . . . . . 4836 1 1231 . 1 1 217 217 GLU HA H 1 4.16 0.02 . 1 . . . . . . . . 4836 1 1232 . 1 1 217 217 GLU C C 13 175.39 0.2 . 1 . . . . . . . . 4836 1 1233 . 1 1 217 217 GLU CA C 13 57.21 0.2 . 1 . . . . . . . . 4836 1 1234 . 1 1 217 217 GLU CB C 13 30.21 0.2 . 1 . . . . . . . . 4836 1 1235 . 1 1 217 217 GLU N N 15 129.40 0.2 . 1 . . . . . . . . 4836 1 stop_ save_