data_7433 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7433 _Entry.Title ; Extracellular CD147 (EMMPRIN): Isoform -3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-28 _Entry.Accession_date 2009-05-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone assignments for the extracellular domains of CD147 isoforms -2 and -3. Residues 207-214 exist in both cis and trans conformations and the chemical shift assignments are provided here for each isomer for isoform-2.' _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 Jennifer Schelgel . . . 7433 2 Jasmina Redzic . S. . 7433 3 Christopher Porter . . . 7433 4 Vyacheslav Yurchenko . . . 7433 5 Michael Bukrinsky . . . 7433 6 Geoffrey Armstrong . S. . 7433 7 Fengli Zhang . . . 7433 8 Nancy Isern . G. . 7433 9 James Degregori . . . 7433 10 Robert Hodges . . . 7433 11 Elan Eisenmesser . Z. . 7433 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7433 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 194 7433 '15N chemical shifts' 97 7433 '1H chemical shifts' 96 7433 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-01-21 2009-05-28 update BMRB 'complete entry citation' 7433 1 . . 2009-06-23 2009-05-28 original author 'original release' 7433 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16322 'Extracellular CD147 Isoform-2' 7433 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7433 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19500591 _Citation.Full_citation . _Citation.Title 'Solution characterization of the extracellular region of CD147 and its interaction with its enzyme ligand cyclophilin A.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 391 _Citation.Journal_issue 3 _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 518 _Citation.Page_last 535 _Citation.Year 2009 _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 Jennifer Schlegel . . . 7433 1 2 Jasmina Redzic . S. . 7433 1 3 Christopher Porter . C. . 7433 1 4 Vyacheslav Yurchenko . . . 7433 1 5 Michael Bukrinsky . . . 7433 1 6 Wladimir Labeikovsky . . . 7433 1 7 Geoffrey Armstrong . S. . 7433 1 8 Fengli Zhang . . . 7433 1 9 Nancy Isern . G. . 7433 1 10 James DeGregori . . . 7433 1 11 Robert Hodges . . . 7433 1 12 'Elan Zohar' Eisenmesser . . . 7433 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CD147 7433 1 cyclophilin 7433 1 EMMPRIN 7433 1 isomerization 7433 1 proline 7433 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7433 _Assembly.ID 1 _Assembly.Name CD147 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Extracellular CD147 Isoform-3' 1 $CD147_94-205 A . yes native no no . . . 7433 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 37 37 SG . 1 . 1 CYS 96 96 SG . . . . . . . . . . 7433 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CD147_94-205 _Entity.Sf_category entity _Entity.Sf_framecode CD147_94-205 _Entity.Entry_ID 7433 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CD147_94-205 _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 ; GSHMMGTANIQLHGPPRVKA VKSSEHINEGETAMLVCKSE SVPPVTDWAWYKITDSEDKA LMNGSESRFFVSSSQGRSEL HIENLNMEADPGQYRCNGTS SKGSDQAIITLRVRSHLAAL WPFLG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16322 . CD147_22-214 . . . . . 96.80 198 100.00 100.00 3.29e-83 . . . . 7433 1 2 no PDB 3B5H . "Crystal Structure Of The Extracellular Portion Of Hab18gCD147" . . . . . 89.60 184 100.00 100.00 1.07e-75 . . . . 7433 1 3 no PDB 4U0Q . "Plasmodium Falciparum Reticulocyte-binding Protein Homologue 5 (pfrh5) Bound To Basigin" . . . . . 96.80 269 100.00 100.00 6.63e-83 . . . . 7433 1 4 no DBJ BAA08109 . "basigin [Homo sapiens]" . . . . . 96.80 269 100.00 100.00 6.63e-83 . . . . 7433 1 5 no DBJ BAB88938 . "EMMPRIN [Homo sapiens]" . . . . . 96.80 269 99.17 99.17 2.91e-81 . . . . 7433 1 6 no DBJ BAC67167 . "EMMPRIN [Bos taurus]" . . . . . 89.60 205 100.00 100.00 1.23e-75 . . . . 7433 1 7 no DBJ BAC67168 . "cervical EMMPRIN [Homo sapiens]" . . . . . 96.80 269 100.00 100.00 6.63e-83 . . . . 7433 1 8 no DBJ BAC76828 . "CD147 [Homo sapiens]" . . . . . 96.80 269 99.17 99.17 5.12e-82 . . . . 7433 1 9 no EMBL CAA45716 . "M6 antigen [Homo sapiens]" . . . . . 96.80 269 100.00 100.00 6.63e-83 . . . . 7433 1 10 no EMBL CAH92402 . "hypothetical protein [Pongo abelii]" . . . . . 96.80 269 100.00 100.00 6.63e-83 . . . . 7433 1 11 no GB AAA68936 . "collagenase stimulatory factor [Homo sapiens]" . . . . . 96.80 269 100.00 100.00 6.63e-83 . . . . 7433 1 12 no GB AAA91084 . "amino acid feature: intracellular domain, aa 707 .. 829; amino acid feature: transmembrane domain, aa 638 .. 706; amino acid fe" . . . . . 96.80 269 100.00 100.00 6.63e-83 . . . . 7433 1 13 no GB AAB41120 . "extracellular matrix metalloproteinase inducer [Homo sapiens]" . . . . . 96.80 269 100.00 100.00 6.63e-83 . . . . 7433 1 14 no GB AAC33279 . "basigin [Homo sapiens]" . . . . . 96.80 269 100.00 100.00 6.63e-83 . . . . 7433 1 15 no GB AAD10704 . "EMMPRIN [Homo sapiens]" . . . . . 96.80 269 100.00 100.00 6.63e-83 . . . . 7433 1 16 no REF NP_001128860 . "basigin (Ok blood group) precursor [Pongo abelii]" . . . . . 96.80 269 100.00 100.00 6.63e-83 . . . . 7433 1 17 no REF NP_001719 . "basigin isoform 1 precursor [Homo sapiens]" . . . . . 96.80 385 100.00 100.00 1.79e-80 . . . . 7433 1 18 no REF NP_940991 . "basigin isoform 2 [Homo sapiens]" . . . . . 96.80 269 100.00 100.00 6.63e-83 . . . . 7433 1 19 no REF NP_940992 . "basigin isoform 3 [Homo sapiens]" . . . . . 96.80 176 100.00 100.00 3.08e-84 . . . . 7433 1 20 no REF NP_940993 . "basigin isoform 4 [Homo sapiens]" . . . . . 96.80 205 100.00 100.00 1.39e-83 . . . . 7433 1 21 no SP P35613 . "RecName: Full=Basigin; AltName: Full=5F7; AltName: Full=Collagenase stimulatory factor; AltName: Full=Extracellular matrix meta" . . . . . 96.80 385 100.00 100.00 1.79e-80 . . . . 7433 1 22 no SP Q865R3 . "RecName: Full=Basigin; AltName: Full=EMMPRIN; AltName: CD_antigen=CD147; Flags: Precursor, partial [Bos taurus]" . . . . . 89.60 205 100.00 100.00 1.23e-75 . . . . 7433 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 90 GLY . 7433 1 2 91 SER . 7433 1 3 92 HIS . 7433 1 4 93 MET . 7433 1 5 94 MET . 7433 1 6 95 GLY . 7433 1 7 96 THR . 7433 1 8 97 ALA . 7433 1 9 98 ASN . 7433 1 10 99 ILE . 7433 1 11 100 GLN . 7433 1 12 101 LEU . 7433 1 13 102 HIS . 7433 1 14 103 GLY . 7433 1 15 104 PRO . 7433 1 16 105 PRO . 7433 1 17 106 ARG . 7433 1 18 107 VAL . 7433 1 19 108 LYS . 7433 1 20 109 ALA . 7433 1 21 110 VAL . 7433 1 22 111 LYS . 7433 1 23 112 SER . 7433 1 24 113 SER . 7433 1 25 114 GLU . 7433 1 26 115 HIS . 7433 1 27 116 ILE . 7433 1 28 117 ASN . 7433 1 29 118 GLU . 7433 1 30 119 GLY . 7433 1 31 120 GLU . 7433 1 32 121 THR . 7433 1 33 122 ALA . 7433 1 34 123 MET . 7433 1 35 124 LEU . 7433 1 36 125 VAL . 7433 1 37 126 CYS . 7433 1 38 127 LYS . 7433 1 39 128 SER . 7433 1 40 129 GLU . 7433 1 41 130 SER . 7433 1 42 131 VAL . 7433 1 43 132 PRO . 7433 1 44 133 PRO . 7433 1 45 134 VAL . 7433 1 46 135 THR . 7433 1 47 136 ASP . 7433 1 48 137 TRP . 7433 1 49 138 ALA . 7433 1 50 139 TRP . 7433 1 51 140 TYR . 7433 1 52 141 LYS . 7433 1 53 142 ILE . 7433 1 54 143 THR . 7433 1 55 144 ASP . 7433 1 56 145 SER . 7433 1 57 146 GLU . 7433 1 58 147 ASP . 7433 1 59 148 LYS . 7433 1 60 149 ALA . 7433 1 61 150 LEU . 7433 1 62 151 MET . 7433 1 63 152 ASN . 7433 1 64 153 GLY . 7433 1 65 154 SER . 7433 1 66 155 GLU . 7433 1 67 156 SER . 7433 1 68 157 ARG . 7433 1 69 158 PHE . 7433 1 70 159 PHE . 7433 1 71 160 VAL . 7433 1 72 161 SER . 7433 1 73 162 SER . 7433 1 74 163 SER . 7433 1 75 164 GLN . 7433 1 76 165 GLY . 7433 1 77 166 ARG . 7433 1 78 167 SER . 7433 1 79 168 GLU . 7433 1 80 169 LEU . 7433 1 81 170 HIS . 7433 1 82 171 ILE . 7433 1 83 172 GLU . 7433 1 84 173 ASN . 7433 1 85 174 LEU . 7433 1 86 175 ASN . 7433 1 87 176 MET . 7433 1 88 177 GLU . 7433 1 89 178 ALA . 7433 1 90 179 ASP . 7433 1 91 180 PRO . 7433 1 92 181 GLY . 7433 1 93 182 GLN . 7433 1 94 183 TYR . 7433 1 95 184 ARG . 7433 1 96 185 CYS . 7433 1 97 186 ASN . 7433 1 98 187 GLY . 7433 1 99 188 THR . 7433 1 100 189 SER . 7433 1 101 190 SER . 7433 1 102 191 LYS . 7433 1 103 192 GLY . 7433 1 104 193 SER . 7433 1 105 194 ASP . 7433 1 106 195 GLN . 7433 1 107 196 ALA . 7433 1 108 197 ILE . 7433 1 109 198 ILE . 7433 1 110 199 THR . 7433 1 111 200 LEU . 7433 1 112 201 ARG . 7433 1 113 202 VAL . 7433 1 114 203 ARG . 7433 1 115 204 SER . 7433 1 116 205 HIS . 7433 1 117 206 LEU . 7433 1 118 207 ALA . 7433 1 119 208 ALA . 7433 1 120 209 LEU . 7433 1 121 210 TRP . 7433 1 122 211 PRO . 7433 1 123 212 PHE . 7433 1 124 213 LEU . 7433 1 125 214 GLY . 7433 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 . GLY 1 1 7433 1 . SER 2 2 7433 1 . HIS 3 3 7433 1 . MET 4 4 7433 1 . MET 5 5 7433 1 . GLY 6 6 7433 1 . THR 7 7 7433 1 . ALA 8 8 7433 1 . ASN 9 9 7433 1 . ILE 10 10 7433 1 . GLN 11 11 7433 1 . LEU 12 12 7433 1 . HIS 13 13 7433 1 . GLY 14 14 7433 1 . PRO 15 15 7433 1 . PRO 16 16 7433 1 . ARG 17 17 7433 1 . VAL 18 18 7433 1 . LYS 19 19 7433 1 . ALA 20 20 7433 1 . VAL 21 21 7433 1 . LYS 22 22 7433 1 . SER 23 23 7433 1 . SER 24 24 7433 1 . GLU 25 25 7433 1 . HIS 26 26 7433 1 . ILE 27 27 7433 1 . ASN 28 28 7433 1 . GLU 29 29 7433 1 . GLY 30 30 7433 1 . GLU 31 31 7433 1 . THR 32 32 7433 1 . ALA 33 33 7433 1 . MET 34 34 7433 1 . LEU 35 35 7433 1 . VAL 36 36 7433 1 . CYS 37 37 7433 1 . LYS 38 38 7433 1 . SER 39 39 7433 1 . GLU 40 40 7433 1 . SER 41 41 7433 1 . VAL 42 42 7433 1 . PRO 43 43 7433 1 . PRO 44 44 7433 1 . VAL 45 45 7433 1 . THR 46 46 7433 1 . ASP 47 47 7433 1 . TRP 48 48 7433 1 . ALA 49 49 7433 1 . TRP 50 50 7433 1 . TYR 51 51 7433 1 . LYS 52 52 7433 1 . ILE 53 53 7433 1 . THR 54 54 7433 1 . ASP 55 55 7433 1 . SER 56 56 7433 1 . GLU 57 57 7433 1 . ASP 58 58 7433 1 . LYS 59 59 7433 1 . ALA 60 60 7433 1 . LEU 61 61 7433 1 . MET 62 62 7433 1 . ASN 63 63 7433 1 . GLY 64 64 7433 1 . SER 65 65 7433 1 . GLU 66 66 7433 1 . SER 67 67 7433 1 . ARG 68 68 7433 1 . PHE 69 69 7433 1 . PHE 70 70 7433 1 . VAL 71 71 7433 1 . SER 72 72 7433 1 . SER 73 73 7433 1 . SER 74 74 7433 1 . GLN 75 75 7433 1 . GLY 76 76 7433 1 . ARG 77 77 7433 1 . SER 78 78 7433 1 . GLU 79 79 7433 1 . LEU 80 80 7433 1 . HIS 81 81 7433 1 . ILE 82 82 7433 1 . GLU 83 83 7433 1 . ASN 84 84 7433 1 . LEU 85 85 7433 1 . ASN 86 86 7433 1 . MET 87 87 7433 1 . GLU 88 88 7433 1 . ALA 89 89 7433 1 . ASP 90 90 7433 1 . PRO 91 91 7433 1 . GLY 92 92 7433 1 . GLN 93 93 7433 1 . TYR 94 94 7433 1 . ARG 95 95 7433 1 . CYS 96 96 7433 1 . ASN 97 97 7433 1 . GLY 98 98 7433 1 . THR 99 99 7433 1 . SER 100 100 7433 1 . SER 101 101 7433 1 . LYS 102 102 7433 1 . GLY 103 103 7433 1 . SER 104 104 7433 1 . ASP 105 105 7433 1 . GLN 106 106 7433 1 . ALA 107 107 7433 1 . ILE 108 108 7433 1 . ILE 109 109 7433 1 . THR 110 110 7433 1 . LEU 111 111 7433 1 . ARG 112 112 7433 1 . VAL 113 113 7433 1 . ARG 114 114 7433 1 . SER 115 115 7433 1 . HIS 116 116 7433 1 . LEU 117 117 7433 1 . ALA 118 118 7433 1 . ALA 119 119 7433 1 . LEU 120 120 7433 1 . TRP 121 121 7433 1 . PRO 122 122 7433 1 . PHE 123 123 7433 1 . LEU 124 124 7433 1 . GLY 125 125 7433 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 7433 _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 $CD147_94-205 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7433 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 7433 _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 $CD147_94-205 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli DE3 . . . . . . . . . . . . . . . pET15b . . . . . . 7433 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7433 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 7433 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 7433 1 3 imidazole 'natural abundance' . . . . . . 50 . . mM . . . . 7433 1 4 'CD147 94-205' '[U-99% 13C; U-99% 15N]' . . 1 $CD147_94-205 . . 0.5 . . mM . . . . 7433 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 7433 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 7433 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.232 . M 7433 1 pH 6.5 . pH 7433 1 pressure 1 . atm 7433 1 temperature 298.15 . K 7433 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 7433 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 7433 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7433 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7433 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 7433 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7433 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 7433 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 7433 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7433 3 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 7433 _Software.ID 4 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 7433 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 7433 4 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 7433 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 7433 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 7433 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 7433 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 7433 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 720 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 7433 _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 VNMRS . 900 . . . 7433 1 2 spectrometer_2 Varian INOVA . 800 . . . 7433 1 3 spectrometer_3 Varian INOVA . 800 . . . 7433 1 4 spectrometer_4 Varian INOVA . 600 . . . 7433 1 5 spectrometer_5 Varian INOVA . 720 . . . 7433 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 7433 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7433 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7433 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7433 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7433 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 7433 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.77 internal indirect 0.25144953 . . . . . . . . . 7433 1 H 1 water protons . . . . ppm 4.77 internal direct 1.00000000 . . . . . . . . . 7433 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.10132911 . . . . . . . . . 7433 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7433 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 7433 1 2 '3D HNCACB' . . . 7433 1 3 '3D 1H-15N NOESY' . . . 7433 1 4 '3D 1H-15N TOCSY' . . . 7433 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 5 5 MET H H 1 8.435 0.05 . 1 . . . . 94 M HN . 7433 1 2 . 1 1 5 5 MET CA C 13 55.641 0.3 . 1 . . . . 94 M CA . 7433 1 3 . 1 1 5 5 MET CB C 13 32.832 0.3 . 1 . . . . 94 M CB . 7433 1 4 . 1 1 5 5 MET N N 15 121.812 0.3 . 1 . . . . 94 M N . 7433 1 5 . 1 1 6 6 GLY H H 1 8.461 0.05 . 1 . . . . 95 G HN . 7433 1 6 . 1 1 6 6 GLY CA C 13 45.434 0.3 . 1 . . . . 95 G CA . 7433 1 7 . 1 1 6 6 GLY N N 15 110.33 0.3 . 1 . . . . 95 G N . 7433 1 8 . 1 1 7 7 THR H H 1 8.067 0.05 . 1 . . . . 96 T HN . 7433 1 9 . 1 1 7 7 THR CA C 13 61.822 0.3 . 1 . . . . 96 T CA . 7433 1 10 . 1 1 7 7 THR CB C 13 69.765 0.3 . 1 . . . . 96 T CB . 7433 1 11 . 1 1 7 7 THR N N 15 113.441 0.3 . 1 . . . . 96 T N . 7433 1 12 . 1 1 8 8 ALA H H 1 8.326 0.05 . 1 . . . . 97 A HN . 7433 1 13 . 1 1 8 8 ALA CA C 13 52.693 0.3 . 1 . . . . 97 A CA . 7433 1 14 . 1 1 8 8 ALA CB C 13 19.294 0.3 . 1 . . . . 97 A CB . 7433 1 15 . 1 1 8 8 ALA N N 15 125.989 0.3 . 1 . . . . 97 A N . 7433 1 16 . 1 1 9 9 ASN H H 1 8.368 0.05 . 1 . . . . 98 N HN . 7433 1 17 . 1 1 9 9 ASN CA C 13 53.218 0.3 . 1 . . . . 98 N CA . 7433 1 18 . 1 1 9 9 ASN CB C 13 38.724 0.3 . 1 . . . . 98 N CB . 7433 1 19 . 1 1 9 9 ASN N N 15 117.988 0.3 . 1 . . . . 98 N N . 7433 1 20 . 1 1 10 10 ILE H H 1 7.988 0.05 . 1 . . . . 99 I HN . 7433 1 21 . 1 1 10 10 ILE CA C 13 61.345 0.3 . 1 . . . . 99 I CA . 7433 1 22 . 1 1 10 10 ILE CB C 13 38.737 0.3 . 1 . . . . 99 I CB . 7433 1 23 . 1 1 10 10 ILE N N 15 120.933 0.3 . 1 . . . . 99 I N . 7433 1 24 . 1 1 11 11 GLN H H 1 8.383 0.05 . 1 . . . . 100 Q HN . 7433 1 25 . 1 1 11 11 GLN CA C 13 55.726 0.3 . 1 . . . . 100 Q CA . 7433 1 26 . 1 1 11 11 GLN CB C 13 29.38 0.3 . 1 . . . . 100 Q CB . 7433 1 27 . 1 1 11 11 GLN N N 15 123.937 0.3 . 1 . . . . 100 Q N . 7433 1 28 . 1 1 12 12 LEU H H 1 8.176 0.05 . 1 . . . . 101 L HN . 7433 1 29 . 1 1 12 12 LEU CA C 13 55.211 0.3 . 1 . . . . 101 L CA . 7433 1 30 . 1 1 12 12 LEU CB C 13 42.399 0.3 . 1 . . . . 101 L CB . 7433 1 31 . 1 1 12 12 LEU N N 15 123.403 0.3 . 1 . . . . 101 L N . 7433 1 32 . 1 1 13 13 HIS H H 1 8.251 0.05 . 1 . . . . 102 H HN . 7433 1 33 . 1 1 13 13 HIS CA C 13 55.465 0.3 . 1 . . . . 102 H CA . 7433 1 34 . 1 1 13 13 HIS CB C 13 31.378 0.3 . 1 . . . . 102 H CB . 7433 1 35 . 1 1 13 13 HIS N N 15 120.549 0.3 . 1 . . . . 102 H N . 7433 1 36 . 1 1 14 14 GLY H H 1 8.538 0.05 . 1 . . . . 103 G HN . 7433 1 37 . 1 1 14 14 GLY CA C 13 45.119 0.3 . 1 . . . . 103 G CA . 7433 1 38 . 1 1 14 14 GLY N N 15 110.515 0.3 . 1 . . . . 103 G N . 7433 1 39 . 1 1 16 16 PRO CA C 13 62.799 0.3 . 1 . . . . 105 P CA . 7433 1 40 . 1 1 17 17 ARG H H 1 8.02 0.05 . 1 . . . . 106 R HN . 7433 1 41 . 1 1 17 17 ARG CA C 13 53.636 0.3 . 1 . . . . 106 R CA . 7433 1 42 . 1 1 17 17 ARG CB C 13 31.841 0.3 . 1 . . . . 106 R CB . 7433 1 43 . 1 1 17 17 ARG N N 15 117.584 0.3 . 1 . . . . 106 R N . 7433 1 44 . 1 1 18 18 VAL H H 1 10.275 0.05 . 1 . . . . 107 V HN . 7433 1 45 . 1 1 18 18 VAL CA C 13 60.8 0.3 . 1 . . . . 107 V CA . 7433 1 46 . 1 1 18 18 VAL CB C 13 34.172 0.3 . 1 . . . . 107 V CB . 7433 1 47 . 1 1 18 18 VAL N N 15 129.92 0.3 . 1 . . . . 107 V N . 7433 1 48 . 1 1 19 19 LYS H H 1 8.883 0.05 . 1 . . . . 108 K HN . 7433 1 49 . 1 1 19 19 LYS CA C 13 54.11 0.3 . 1 . . . . 108 K CA . 7433 1 50 . 1 1 19 19 LYS CB C 13 36.492 0.3 . 1 . . . . 108 K CB . 7433 1 51 . 1 1 19 19 LYS N N 15 123.13 0.3 . 1 . . . . 108 K N . 7433 1 52 . 1 1 20 20 ALA H H 1 8.766 0.05 . 1 . . . . 109 A HN . 7433 1 53 . 1 1 20 20 ALA CA C 13 51.289 0.3 . 1 . . . . 109 A CA . 7433 1 54 . 1 1 20 20 ALA CB C 13 19.837 0.3 . 1 . . . . 109 A CB . 7433 1 55 . 1 1 20 20 ALA N N 15 125.734 0.3 . 1 . . . . 109 A N . 7433 1 56 . 1 1 21 21 VAL H H 1 8.599 0.05 . 1 . . . . 110 V HN . 7433 1 57 . 1 1 21 21 VAL CA C 13 66.336 0.3 . 1 . . . . 110 V CA . 7433 1 58 . 1 1 21 21 VAL CB C 13 31.875 0.3 . 1 . . . . 110 V CB . 7433 1 59 . 1 1 21 21 VAL N N 15 125.159 0.3 . 1 . . . . 110 V N . 7433 1 60 . 1 1 22 22 LYS H H 1 7.461 0.05 . 1 . . . . 111 K HN . 7433 1 61 . 1 1 22 22 LYS CA C 13 55.72 0.3 . 1 . . . . 111 K CA . 7433 1 62 . 1 1 22 22 LYS CB C 13 35.047 0.3 . 1 . . . . 111 K CB . 7433 1 63 . 1 1 22 22 LYS N N 15 117.153 0.3 . 1 . . . . 111 K N . 7433 1 64 . 1 1 23 23 SER H H 1 8.86 0.05 . 1 . . . . 112 S HN . 7433 1 65 . 1 1 23 23 SER CA C 13 60.462 0.3 . 1 . . . . 112 S CA . 7433 1 66 . 1 1 23 23 SER CB C 13 63.718 0.3 . 1 . . . . 112 S CB . 7433 1 67 . 1 1 23 23 SER N N 15 118.248 0.3 . 1 . . . . 112 S N . 7433 1 68 . 1 1 24 24 SER H H 1 7.696 0.05 . 1 . . . . 113 S HN . 7433 1 69 . 1 1 24 24 SER CA C 13 56.76 0.3 . 1 . . . . 113 S CA . 7433 1 70 . 1 1 24 24 SER CB C 13 64.834 0.3 . 1 . . . . 113 S CB . 7433 1 71 . 1 1 24 24 SER N N 15 116.27 0.3 . 1 . . . . 113 S N . 7433 1 72 . 1 1 25 25 GLU H H 1 8.699 0.05 . 1 . . . . 114 E HN . 7433 1 73 . 1 1 25 25 GLU CA C 13 54.79 0.3 . 1 . . . . 114 E CA . 7433 1 74 . 1 1 25 25 GLU CB C 13 34.065 0.3 . 1 . . . . 114 E CB . 7433 1 75 . 1 1 25 25 GLU N N 15 123.381 0.3 . 1 . . . . 114 E N . 7433 1 76 . 1 1 26 26 HIS H H 1 9.101 0.05 . 1 . . . . 115 H HN . 7433 1 77 . 1 1 26 26 HIS CA C 13 54.119 0.3 . 1 . . . . 115 H CA . 7433 1 78 . 1 1 26 26 HIS CB C 13 31.603 0.3 . 1 . . . . 115 H CB . 7433 1 79 . 1 1 26 26 HIS N N 15 126.58 0.3 . 1 . . . . 115 H N . 7433 1 80 . 1 1 27 27 ILE H H 1 8.189 0.05 . 1 . . . . 116 I HN . 7433 1 81 . 1 1 27 27 ILE CA C 13 58.92 0.3 . 1 . . . . 116 I CA . 7433 1 82 . 1 1 27 27 ILE CB C 13 41.305 0.3 . 1 . . . . 116 I CB . 7433 1 83 . 1 1 27 27 ILE N N 15 124.298 0.3 . 1 . . . . 116 I N . 7433 1 84 . 1 1 28 28 ASN H H 1 8.336 0.05 . 1 . . . . 117 N HN . 7433 1 85 . 1 1 28 28 ASN CA C 13 53.459 0.3 . 1 . . . . 117 N CA . 7433 1 86 . 1 1 28 28 ASN CB C 13 39.206 0.3 . 1 . . . . 117 N CB . 7433 1 87 . 1 1 28 28 ASN N N 15 124.569 0.3 . 1 . . . . 117 N N . 7433 1 88 . 1 1 29 29 GLU H H 1 8.545 0.05 . 1 . . . . 118 E HN . 7433 1 89 . 1 1 29 29 GLU CA C 13 57.434 0.3 . 1 . . . . 118 E CA . 7433 1 90 . 1 1 29 29 GLU CB C 13 29.972 0.3 . 1 . . . . 118 E CB . 7433 1 91 . 1 1 29 29 GLU N N 15 120.004 0.3 . 1 . . . . 118 E N . 7433 1 92 . 1 1 30 30 GLY H H 1 9.577 0.05 . 1 . . . . 119 G HN . 7433 1 93 . 1 1 30 30 GLY CA C 13 45.178 0.3 . 1 . . . . 119 G CA . 7433 1 94 . 1 1 30 30 GLY N N 15 113.951 0.3 . 1 . . . . 119 G N . 7433 1 95 . 1 1 31 31 GLU H H 1 7.476 0.05 . 1 . . . . 120 E HN . 7433 1 96 . 1 1 31 31 GLU CA C 13 55.664 0.3 . 1 . . . . 120 E CA . 7433 1 97 . 1 1 31 31 GLU CB C 13 29.954 0.3 . 1 . . . . 120 E CB . 7433 1 98 . 1 1 31 31 GLU N N 15 120.267 0.3 . 1 . . . . 120 E N . 7433 1 99 . 1 1 32 32 THR H H 1 8.158 0.05 . 1 . . . . 121 T HN . 7433 1 100 . 1 1 32 32 THR CA C 13 60.827 0.3 . 1 . . . . 121 T CA . 7433 1 101 . 1 1 32 32 THR CB C 13 70.656 0.3 . 1 . . . . 121 T CB . 7433 1 102 . 1 1 32 32 THR N N 15 114.103 0.3 . 1 . . . . 121 T N . 7433 1 103 . 1 1 33 33 ALA H H 1 8.773 0.05 . 1 . . . . 122 A HN . 7433 1 104 . 1 1 33 33 ALA CA C 13 50.448 0.3 . 1 . . . . 122 A CA . 7433 1 105 . 1 1 33 33 ALA CB C 13 22.14 0.3 . 1 . . . . 122 A CB . 7433 1 106 . 1 1 33 33 ALA N N 15 128.017 0.3 . 1 . . . . 122 A N . 7433 1 107 . 1 1 34 34 MET H H 1 8.502 0.05 . 1 . . . . 123 M HN . 7433 1 108 . 1 1 34 34 MET CA C 13 54.703 0.3 . 1 . . . . 123 M CA . 7433 1 109 . 1 1 34 34 MET CB C 13 34.097 0.3 . 1 . . . . 123 M CB . 7433 1 110 . 1 1 34 34 MET N N 15 120.958 0.3 . 1 . . . . 123 M N . 7433 1 111 . 1 1 35 35 LEU H H 1 9.062 0.05 . 1 . . . . 124 L HN . 7433 1 112 . 1 1 35 35 LEU CA C 13 53.846 0.3 . 1 . . . . 124 L CA . 7433 1 113 . 1 1 35 35 LEU CB C 13 41.73 0.3 . 1 . . . . 124 L CB . 7433 1 114 . 1 1 35 35 LEU N N 15 129.117 0.3 . 1 . . . . 124 L N . 7433 1 115 . 1 1 36 36 VAL H H 1 8.564 0.05 . 1 . . . . 125 V HN . 7433 1 116 . 1 1 36 36 VAL CA C 13 61.245 0.3 . 1 . . . . 125 V CA . 7433 1 117 . 1 1 36 36 VAL CB C 13 35.732 0.3 . 1 . . . . 125 V CB . 7433 1 118 . 1 1 36 36 VAL N N 15 120.565 0.3 . 1 . . . . 125 V N . 7433 1 119 . 1 1 37 37 CYS H H 1 8.962 0.05 . 1 . . . . 126 C HN . 7433 1 120 . 1 1 37 37 CYS CA C 13 53.664 0.3 . 1 . . . . 126 C CA . 7433 1 121 . 1 1 37 37 CYS CB C 13 47.898 0.3 . 1 . . . . 126 C CB . 7433 1 122 . 1 1 37 37 CYS N N 15 123.664 0.3 . 1 . . . . 126 C N . 7433 1 123 . 1 1 38 38 LYS H H 1 9.253 0.05 . 1 . . . . 127 K HN . 7433 1 124 . 1 1 38 38 LYS CA C 13 54.67 0.3 . 1 . . . . 127 K CA . 7433 1 125 . 1 1 38 38 LYS CB C 13 37.356 0.3 . 1 . . . . 127 K CB . 7433 1 126 . 1 1 38 38 LYS N N 15 117.165 0.3 . 1 . . . . 127 K N . 7433 1 127 . 1 1 39 39 SER H H 1 8.728 0.05 . 1 . . . . 128 S HN . 7433 1 128 . 1 1 39 39 SER CA C 13 57.713 0.3 . 1 . . . . 128 S CA . 7433 1 129 . 1 1 39 39 SER CB C 13 66.28 0.3 . 1 . . . . 128 S CB . 7433 1 130 . 1 1 39 39 SER N N 15 112.206 0.3 . 1 . . . . 128 S N . 7433 1 131 . 1 1 40 40 GLU CA C 13 55.209 0.3 . 1 . . . . 129 E CA . 7433 1 132 . 1 1 40 40 GLU CB C 13 29.904 0.3 . 1 . . . . 129 E CB . 7433 1 133 . 1 1 41 41 SER H H 1 8.299 0.05 . 1 . . . . 130 S HN . 7433 1 134 . 1 1 41 41 SER CA C 13 60.366 0.3 . 1 . . . . 130 S CA . 7433 1 135 . 1 1 41 41 SER CB C 13 64.323 0.3 . 1 . . . . 130 S CB . 7433 1 136 . 1 1 41 41 SER N N 15 117.475 0.3 . 1 . . . . 130 S N . 7433 1 137 . 1 1 42 42 VAL H H 1 8.119 0.05 . 1 . . . . 131 V HN . 7433 1 138 . 1 1 42 42 VAL CA C 13 60.055 0.3 . 1 . . . . 131 V CA . 7433 1 139 . 1 1 42 42 VAL CB C 13 35.065 0.3 . 1 . . . . 131 V CB . 7433 1 140 . 1 1 42 42 VAL N N 15 121.503 0.3 . 1 . . . . 131 V N . 7433 1 141 . 1 1 44 44 PRO CA C 13 62.004 0.3 . 1 . . . . 133 P CA . 7433 1 142 . 1 1 45 45 VAL H H 1 8.335 0.05 . 1 . . . . 134 V HN . 7433 1 143 . 1 1 45 45 VAL CA C 13 63.549 0.3 . 1 . . . . 134 V CA . 7433 1 144 . 1 1 45 45 VAL CB C 13 31.741 0.3 . 1 . . . . 134 V CB . 7433 1 145 . 1 1 45 45 VAL N N 15 120.361 0.3 . 1 . . . . 134 V N . 7433 1 146 . 1 1 46 46 THR H H 1 7.932 0.05 . 1 . . . . 135 T HN . 7433 1 147 . 1 1 46 46 THR CA C 13 61.544 0.3 . 1 . . . . 135 T CA . 7433 1 148 . 1 1 46 46 THR CB C 13 69.816 0.3 . 1 . . . . 135 T CB . 7433 1 149 . 1 1 46 46 THR N N 15 117.088 0.3 . 1 . . . . 135 T N . 7433 1 150 . 1 1 47 47 ASP H H 1 7.376 0.05 . 1 . . . . 136 D HN . 7433 1 151 . 1 1 47 47 ASP CA C 13 53.715 0.3 . 1 . . . . 136 D CA . 7433 1 152 . 1 1 47 47 ASP CB C 13 43.355 0.3 . 1 . . . . 136 D CB . 7433 1 153 . 1 1 47 47 ASP N N 15 123.782 0.3 . 1 . . . . 136 D N . 7433 1 154 . 1 1 48 48 TRP H H 1 8.785 0.05 . 1 . . . . 137 W HN . 7433 1 155 . 1 1 48 48 TRP HE1 H 1 10.104 0.05 . 1 . . . . 137 W HE1 . 7433 1 156 . 1 1 48 48 TRP CA C 13 55.403 0.3 . 1 . . . . 137 W CA . 7433 1 157 . 1 1 48 48 TRP CB C 13 33.628 0.3 . 1 . . . . 137 W CB . 7433 1 158 . 1 1 48 48 TRP N N 15 124.105 0.3 . 1 . . . . 137 W N . 7433 1 159 . 1 1 48 48 TRP NE1 N 15 128.488 0.3 . 1 . . . . 137 W NE1 . 7433 1 160 . 1 1 49 49 ALA CA C 13 51.857 0.3 . 1 . . . . 138 A CA . 7433 1 161 . 1 1 49 49 ALA CB C 13 23.475 0.3 . 1 . . . . 138 A CB . 7433 1 162 . 1 1 50 50 TRP H H 1 8.757 0.05 . 1 . . . . 139 W HN . 7433 1 163 . 1 1 50 50 TRP CA C 13 56.352 0.3 . 1 . . . . 139 W CA . 7433 1 164 . 1 1 50 50 TRP CB C 13 33.22 0.3 . 1 . . . . 139 W CB . 7433 1 165 . 1 1 50 50 TRP N N 15 120.572 0.3 . 1 . . . . 139 W N . 7433 1 166 . 1 1 51 51 TYR H H 1 9.412 0.05 . 1 . . . . 140 Y HN . 7433 1 167 . 1 1 51 51 TYR CA C 13 56.073 0.3 . 1 . . . . 140 Y CA . 7433 1 168 . 1 1 51 51 TYR CB C 13 43.368 0.3 . 1 . . . . 140 Y CB . 7433 1 169 . 1 1 51 51 TYR N N 15 117.356 0.3 . 1 . . . . 140 Y N . 7433 1 170 . 1 1 52 52 LYS H H 1 9.321 0.05 . 1 . . . . 141 K HN . 7433 1 171 . 1 1 52 52 LYS CA C 13 54.853 0.3 . 1 . . . . 141 K CA . 7433 1 172 . 1 1 52 52 LYS CB C 13 35.482 0.3 . 1 . . . . 141 K CB . 7433 1 173 . 1 1 52 52 LYS N N 15 122.917 0.3 . 1 . . . . 141 K N . 7433 1 174 . 1 1 53 53 ILE H H 1 8.429 0.05 . 1 . . . . 142 I HN . 7433 1 175 . 1 1 53 53 ILE CA C 13 61.542 0.3 . 1 . . . . 142 I CA . 7433 1 176 . 1 1 53 53 ILE CB C 13 37.202 0.3 . 1 . . . . 142 I CB . 7433 1 177 . 1 1 53 53 ILE N N 15 128.766 0.3 . 1 . . . . 142 I N . 7433 1 178 . 1 1 54 54 THR H H 1 8.607 0.05 . 1 . . . . 143 T HN . 7433 1 179 . 1 1 54 54 THR CA C 13 60.03 0.3 . 1 . . . . 143 T CA . 7433 1 180 . 1 1 54 54 THR CB C 13 71.335 0.3 . 1 . . . . 143 T CB . 7433 1 181 . 1 1 54 54 THR N N 15 120.526 0.3 . 1 . . . . 143 T N . 7433 1 182 . 1 1 55 55 ASP H H 1 8.591 0.05 . 1 . . . . 144 D HN . 7433 1 183 . 1 1 55 55 ASP CA C 13 56.205 0.3 . 1 . . . . 144 D CA . 7433 1 184 . 1 1 55 55 ASP CB C 13 40.438 0.3 . 1 . . . . 144 D CB . 7433 1 185 . 1 1 55 55 ASP N N 15 118.558 0.3 . 1 . . . . 144 D N . 7433 1 186 . 1 1 56 56 SER H H 1 8.256 0.05 . 1 . . . . 145 S HN . 7433 1 187 . 1 1 56 56 SER CA C 13 57.989 0.3 . 1 . . . . 145 S CA . 7433 1 188 . 1 1 56 56 SER CB C 13 63.837 0.3 . 1 . . . . 145 S CB . 7433 1 189 . 1 1 56 56 SER N N 15 112.674 0.3 . 1 . . . . 145 S N . 7433 1 190 . 1 1 57 57 GLU H H 1 7.713 0.05 . 1 . . . . 146 E HN . 7433 1 191 . 1 1 57 57 GLU CA C 13 55.852 0.3 . 1 . . . . 146 E CA . 7433 1 192 . 1 1 57 57 GLU CB C 13 31.682 0.3 . 1 . . . . 146 E CB . 7433 1 193 . 1 1 57 57 GLU N N 15 120.843 0.3 . 1 . . . . 146 E N . 7433 1 194 . 1 1 58 58 ASP H H 1 8.749 0.05 . 1 . . . . 147 D HN . 7433 1 195 . 1 1 58 58 ASP CA C 13 54.201 0.3 . 1 . . . . 147 D CA . 7433 1 196 . 1 1 58 58 ASP CB C 13 40.41 0.3 . 1 . . . . 147 D CB . 7433 1 197 . 1 1 58 58 ASP N N 15 125.832 0.3 . 1 . . . . 147 D N . 7433 1 198 . 1 1 59 59 LYS H H 1 9.051 0.05 . 1 . . . . 148 K HN . 7433 1 199 . 1 1 59 59 LYS CA C 13 55.049 0.3 . 1 . . . . 148 K CA . 7433 1 200 . 1 1 59 59 LYS CB C 13 34.276 0.3 . 1 . . . . 148 K CB . 7433 1 201 . 1 1 59 59 LYS N N 15 125.191 0.3 . 1 . . . . 148 K N . 7433 1 202 . 1 1 60 60 ALA H H 1 8.885 0.05 . 1 . . . . 149 A HN . 7433 1 203 . 1 1 60 60 ALA CA C 13 53.254 0.3 . 1 . . . . 149 A CA . 7433 1 204 . 1 1 60 60 ALA CB C 13 18.797 0.3 . 1 . . . . 149 A CB . 7433 1 205 . 1 1 60 60 ALA N N 15 130.432 0.3 . 1 . . . . 149 A N . 7433 1 206 . 1 1 61 61 LEU H H 1 8.027 0.05 . 1 . . . . 150 L HN . 7433 1 207 . 1 1 61 61 LEU CA C 13 53.169 0.3 . 1 . . . . 150 L CA . 7433 1 208 . 1 1 61 61 LEU CB C 13 41.392 0.3 . 1 . . . . 150 L CB . 7433 1 209 . 1 1 61 61 LEU N N 15 124.785 0.3 . 1 . . . . 150 L N . 7433 1 210 . 1 1 62 62 MET H H 1 7.925 0.05 . 1 . . . . 151 M HN . 7433 1 211 . 1 1 62 62 MET CA C 13 53.653 0.3 . 1 . . . . 151 M CA . 7433 1 212 . 1 1 62 62 MET CB C 13 33.925 0.3 . 1 . . . . 151 M CB . 7433 1 213 . 1 1 62 62 MET N N 15 119.992 0.3 . 1 . . . . 151 M N . 7433 1 214 . 1 1 63 63 ASN H H 1 8.865 0.05 . 1 . . . . 152 N HN . 7433 1 215 . 1 1 63 63 ASN CA C 13 55.365 0.3 . 1 . . . . 152 N CA . 7433 1 216 . 1 1 63 63 ASN CB C 13 39.148 0.3 . 1 . . . . 152 N CB . 7433 1 217 . 1 1 63 63 ASN N N 15 119.778 0.3 . 1 . . . . 152 N N . 7433 1 218 . 1 1 72 72 SER H H 1 9.01 0.05 . 1 . . . . 161 S HN . 7433 1 219 . 1 1 72 72 SER CA C 13 56.318 0.3 . 1 . . . . 161 S CA . 7433 1 220 . 1 1 72 72 SER CB C 13 64.515 0.3 . 1 . . . . 161 S CB . 7433 1 221 . 1 1 72 72 SER N N 15 122.715 0.3 . 1 . . . . 161 S N . 7433 1 222 . 1 1 73 73 SER H H 1 9.12 0.05 . 1 . . . . 162 S HN . 7433 1 223 . 1 1 73 73 SER CA C 13 57.298 0.3 . 1 . . . . 162 S CA . 7433 1 224 . 1 1 73 73 SER CB C 13 65.904 0.3 . 1 . . . . 162 S CB . 7433 1 225 . 1 1 73 73 SER N N 15 124.253 0.3 . 1 . . . . 162 S N . 7433 1 226 . 1 1 74 74 SER H H 1 9.211 0.05 . 1 . . . . 163 S HN . 7433 1 227 . 1 1 74 74 SER CA C 13 57.373 0.3 . 1 . . . . 163 S CA . 7433 1 228 . 1 1 74 74 SER CB C 13 64.987 0.3 . 1 . . . . 163 S CB . 7433 1 229 . 1 1 74 74 SER N N 15 119.276 0.3 . 1 . . . . 163 S N . 7433 1 230 . 1 1 75 75 GLN H H 1 8.829 0.05 . 1 . . . . 164 Q HN . 7433 1 231 . 1 1 75 75 GLN CA C 13 58.409 0.3 . 1 . . . . 164 Q CA . 7433 1 232 . 1 1 75 75 GLN CB C 13 28.107 0.3 . 1 . . . . 164 Q CB . 7433 1 233 . 1 1 75 75 GLN N N 15 120.416 0.3 . 1 . . . . 164 Q N . 7433 1 234 . 1 1 76 76 GLY H H 1 9.225 0.05 . 1 . . . . 165 G HN . 7433 1 235 . 1 1 76 76 GLY CA C 13 46.91 0.3 . 1 . . . . 165 G CA . 7433 1 236 . 1 1 76 76 GLY N N 15 111.742 0.3 . 1 . . . . 165 G N . 7433 1 237 . 1 1 77 77 ARG H H 1 7.96 0.05 . 1 . . . . 166 R HN . 7433 1 238 . 1 1 77 77 ARG CA C 13 55.969 0.3 . 1 . . . . 166 R CA . 7433 1 239 . 1 1 77 77 ARG CB C 13 33.519 0.3 . 1 . . . . 166 R CB . 7433 1 240 . 1 1 77 77 ARG N N 15 122.221 0.3 . 1 . . . . 166 R N . 7433 1 241 . 1 1 77 77 ARG NH2 N 15 73.586 0.3 . 2 . . . . 166 R NH2 . 7433 1 242 . 1 1 78 78 SER H H 1 8.11 0.05 . 1 . . . . 167 S HN . 7433 1 243 . 1 1 78 78 SER CB C 13 63.005 0.3 . 1 . . . . 167 S CB . 7433 1 244 . 1 1 78 78 SER N N 15 117.03 0.3 . 1 . . . . 167 S N . 7433 1 245 . 1 1 79 79 GLU H H 1 8.591 0.05 . 1 . . . . 168 E HN . 7433 1 246 . 1 1 79 79 GLU CA C 13 52.967 0.3 . 1 . . . . 168 E CA . 7433 1 247 . 1 1 79 79 GLU CB C 13 33.207 0.3 . 1 . . . . 168 E CB . 7433 1 248 . 1 1 79 79 GLU N N 15 125.776 0.3 . 1 . . . . 168 E N . 7433 1 249 . 1 1 80 80 LEU H H 1 8.795 0.05 . 1 . . . . 169 L HN . 7433 1 250 . 1 1 80 80 LEU CA C 13 53.042 0.3 . 1 . . . . 169 L CA . 7433 1 251 . 1 1 80 80 LEU CB C 13 40.98 0.3 . 1 . . . . 169 L CB . 7433 1 252 . 1 1 80 80 LEU N N 15 125.855 0.3 . 1 . . . . 169 L N . 7433 1 253 . 1 1 81 81 HIS H H 1 9.541 0.05 . 1 . . . . 170 H HN . 7433 1 254 . 1 1 81 81 HIS CA C 13 53.102 0.3 . 1 . . . . 170 H CA . 7433 1 255 . 1 1 81 81 HIS CB C 13 31.075 0.3 . 1 . . . . 170 H CB . 7433 1 256 . 1 1 81 81 HIS N N 15 126.4 0.3 . 1 . . . . 170 H N . 7433 1 257 . 1 1 82 82 ILE H H 1 8.553 0.05 . 1 . . . . 171 I HN . 7433 1 258 . 1 1 82 82 ILE CA C 13 60.255 0.3 . 1 . . . . 171 I CA . 7433 1 259 . 1 1 82 82 ILE CB C 13 40 0.3 . 1 . . . . 171 I CB . 7433 1 260 . 1 1 82 82 ILE N N 15 122.052 0.3 . 1 . . . . 171 I N . 7433 1 261 . 1 1 83 83 GLU H H 1 8.664 0.05 . 1 . . . . 172 E HN . 7433 1 262 . 1 1 83 83 GLU CA C 13 55.529 0.3 . 1 . . . . 172 E CA . 7433 1 263 . 1 1 83 83 GLU CB C 13 31.33 0.3 . 1 . . . . 172 E CB . 7433 1 264 . 1 1 83 83 GLU N N 15 124.259 0.3 . 1 . . . . 172 E N . 7433 1 265 . 1 1 84 84 ASN H H 1 8.213 0.05 . 1 . . . . 173 N HN . 7433 1 266 . 1 1 84 84 ASN CA C 13 52.784 0.3 . 1 . . . . 173 N CA . 7433 1 267 . 1 1 84 84 ASN CB C 13 36.898 0.3 . 1 . . . . 173 N CB . 7433 1 268 . 1 1 84 84 ASN N N 15 117.007 0.3 . 1 . . . . 173 N N . 7433 1 269 . 1 1 85 85 LEU CA C 13 56.135 0.3 . 1 . . . . 174 L CA . 7433 1 270 . 1 1 85 85 LEU CB C 13 43.844 0.3 . 1 . . . . 174 L CB . 7433 1 271 . 1 1 86 86 ASN H H 1 10.185 0.05 . 1 . . . . 175 N HN . 7433 1 272 . 1 1 86 86 ASN CA C 13 51.885 0.3 . 1 . . . . 175 N CA . 7433 1 273 . 1 1 86 86 ASN CB C 13 41.97 0.3 . 1 . . . . 175 N CB . 7433 1 274 . 1 1 86 86 ASN N N 15 124.668 0.3 . 1 . . . . 175 N N . 7433 1 275 . 1 1 87 87 MET H H 1 9.141 0.05 . 1 . . . . 176 M HN . 7433 1 276 . 1 1 87 87 MET CA C 13 57.149 0.3 . 1 . . . . 176 M CA . 7433 1 277 . 1 1 87 87 MET CB C 13 33.048 0.3 . 1 . . . . 176 M CB . 7433 1 278 . 1 1 87 87 MET N N 15 121.172 0.3 . 1 . . . . 176 M N . 7433 1 279 . 1 1 88 88 GLU CA C 13 58.025 0.3 . 1 . . . . 177 E CA . 7433 1 280 . 1 1 88 88 GLU CB C 13 30.399 0.3 . 1 . . . . 177 E CB . 7433 1 281 . 1 1 89 89 ALA H H 1 8.197 0.05 . 1 . . . . 178 A HN . 7433 1 282 . 1 1 89 89 ALA CA C 13 53.616 0.3 . 1 . . . . 178 A CA . 7433 1 283 . 1 1 89 89 ALA CB C 13 21.017 0.3 . 1 . . . . 178 A CB . 7433 1 284 . 1 1 89 89 ALA N N 15 120.07 0.3 . 1 . . . . 178 A N . 7433 1 285 . 1 1 90 90 ASP H H 1 7.616 0.05 . 1 . . . . 179 D HN . 7433 1 286 . 1 1 90 90 ASP CA C 13 57.523 0.3 . 1 . . . . 179 D CA . 7433 1 287 . 1 1 90 90 ASP CB C 13 40.667 0.3 . 1 . . . . 179 D CB . 7433 1 288 . 1 1 90 90 ASP N N 15 116.578 0.3 . 1 . . . . 179 D N . 7433 1 289 . 1 1 91 91 PRO CA C 13 65.358 0.3 . 1 . . . . 180 P CA . 7433 1 290 . 1 1 91 91 PRO CB C 13 31.52 0.3 . 1 . . . . 180 P CB . 7433 1 291 . 1 1 92 92 GLY H H 1 8.876 0.05 . 1 . . . . 181 G HN . 7433 1 292 . 1 1 92 92 GLY CA C 13 44.341 0.3 . 1 . . . . 181 G CA . 7433 1 293 . 1 1 92 92 GLY N N 15 109.684 0.3 . 1 . . . . 181 G N . 7433 1 294 . 1 1 93 93 GLN H H 1 8.789 0.05 . 1 . . . . 182 Q HN . 7433 1 295 . 1 1 93 93 GLN CA C 13 55.269 0.3 . 1 . . . . 182 Q CA . 7433 1 296 . 1 1 93 93 GLN CB C 13 32.222 0.3 . 1 . . . . 182 Q CB . 7433 1 297 . 1 1 93 93 GLN N N 15 119.546 0.3 . 1 . . . . 182 Q N . 7433 1 298 . 1 1 94 94 TYR H H 1 9.599 0.05 . 1 . . . . 183 Y HN . 7433 1 299 . 1 1 94 94 TYR CA C 13 56.867 0.3 . 1 . . . . 183 Y CA . 7433 1 300 . 1 1 94 94 TYR CB C 13 42.141 0.3 . 1 . . . . 183 Y CB . 7433 1 301 . 1 1 94 94 TYR N N 15 122.418 0.3 . 1 . . . . 183 Y N . 7433 1 302 . 1 1 95 95 ARG H H 1 9.672 0.05 . 1 . . . . 184 R HN . 7433 1 303 . 1 1 95 95 ARG CA C 13 53.471 0.3 . 1 . . . . 184 R CA . 7433 1 304 . 1 1 95 95 ARG CB C 13 36.037 0.3 . 1 . . . . 184 R CB . 7433 1 305 . 1 1 95 95 ARG N N 15 122.753 0.3 . 1 . . . . 184 R N . 7433 1 306 . 1 1 96 96 CYS H H 1 8.832 0.05 . 1 . . . . 185 C HN . 7433 1 307 . 1 1 96 96 CYS CA C 13 52.351 0.3 . 1 . . . . 185 C CA . 7433 1 308 . 1 1 96 96 CYS CB C 13 42.356 0.3 . 1 . . . . 185 C CB . 7433 1 309 . 1 1 96 96 CYS N N 15 121.625 0.3 . 1 . . . . 185 C N . 7433 1 310 . 1 1 97 97 ASN H H 1 9.444 0.05 . 1 . . . . 186 N HN . 7433 1 311 . 1 1 97 97 ASN CA C 13 52.389 0.3 . 1 . . . . 186 N CA . 7433 1 312 . 1 1 97 97 ASN CB C 13 42.157 0.3 . 1 . . . . 186 N CB . 7433 1 313 . 1 1 97 97 ASN N N 15 122.553 0.3 . 1 . . . . 186 N N . 7433 1 314 . 1 1 98 98 GLY H H 1 8.883 0.05 . 1 . . . . 187 G HN . 7433 1 315 . 1 1 98 98 GLY CA C 13 44.921 0.3 . 1 . . . . 187 G CA . 7433 1 316 . 1 1 98 98 GLY N N 15 112.748 0.3 . 1 . . . . 187 G N . 7433 1 317 . 1 1 99 99 THR H H 1 8.443 0.05 . 1 . . . . 188 T HN . 7433 1 318 . 1 1 99 99 THR CA C 13 61.832 0.3 . 1 . . . . 188 T CA . 7433 1 319 . 1 1 99 99 THR CB C 13 71.525 0.3 . 1 . . . . 188 T CB . 7433 1 320 . 1 1 99 99 THR N N 15 120.807 0.3 . 1 . . . . 188 T N . 7433 1 321 . 1 1 100 100 SER H H 1 9.464 0.05 . 1 . . . . 189 S HN . 7433 1 322 . 1 1 100 100 SER CA C 13 55.006 0.3 . 1 . . . . 189 S CA . 7433 1 323 . 1 1 100 100 SER CB C 13 69.567 0.3 . 1 . . . . 189 S CB . 7433 1 324 . 1 1 100 100 SER N N 15 124.073 0.3 . 1 . . . . 189 S N . 7433 1 325 . 1 1 101 101 SER H H 1 8.854 0.05 . 1 . . . . 190 S HN . 7433 1 326 . 1 1 101 101 SER CA C 13 60.376 0.3 . 1 . . . . 190 S CA . 7433 1 327 . 1 1 101 101 SER CB C 13 62.769 0.3 . 1 . . . . 190 S CB . 7433 1 328 . 1 1 101 101 SER N N 15 114.232 0.3 . 1 . . . . 190 S N . 7433 1 329 . 1 1 102 102 LYS H H 1 8.023 0.05 . 1 . . . . 191 K HN . 7433 1 330 . 1 1 102 102 LYS CA C 13 54.209 0.3 . 1 . . . . 191 K CA . 7433 1 331 . 1 1 102 102 LYS CB C 13 33.939 0.3 . 1 . . . . 191 K CB . 7433 1 332 . 1 1 102 102 LYS N N 15 118.323 0.3 . 1 . . . . 191 K N . 7433 1 333 . 1 1 103 103 GLY H H 1 7.38 0.05 . 1 . . . . 192 G HN . 7433 1 334 . 1 1 103 103 GLY CA C 13 45.089 0.3 . 1 . . . . 192 G CA . 7433 1 335 . 1 1 103 103 GLY N N 15 107.492 0.3 . 1 . . . . 192 G N . 7433 1 336 . 1 1 104 104 SER H H 1 8.472 0.05 . 1 . . . . 193 S HN . 7433 1 337 . 1 1 104 104 SER CA C 13 56.702 0.3 . 1 . . . . 193 S CA . 7433 1 338 . 1 1 104 104 SER CB C 13 66.858 0.3 . 1 . . . . 193 S CB . 7433 1 339 . 1 1 104 104 SER N N 15 113.669 0.3 . 1 . . . . 193 S N . 7433 1 340 . 1 1 105 105 ASP H H 1 8.741 0.05 . 1 . . . . 194 D HN . 7433 1 341 . 1 1 105 105 ASP CA C 13 53.681 0.3 . 1 . . . . 194 D CA . 7433 1 342 . 1 1 105 105 ASP CB C 13 45.017 0.3 . 1 . . . . 194 D CB . 7433 1 343 . 1 1 105 105 ASP N N 15 119.491 0.3 . 1 . . . . 194 D N . 7433 1 344 . 1 1 106 106 GLN H H 1 7.948 0.05 . 1 . . . . 195 Q HN . 7433 1 345 . 1 1 106 106 GLN CA C 13 53.446 0.3 . 1 . . . . 195 Q CA . 7433 1 346 . 1 1 106 106 GLN CB C 13 32.748 0.3 . 1 . . . . 195 Q CB . 7433 1 347 . 1 1 106 106 GLN N N 15 115.831 0.3 . 1 . . . . 195 Q N . 7433 1 348 . 1 1 107 107 ALA H H 1 8.237 0.05 . 1 . . . . 196 A HN . 7433 1 349 . 1 1 107 107 ALA CA C 13 51.245 0.3 . 1 . . . . 196 A CA . 7433 1 350 . 1 1 107 107 ALA CB C 13 23.139 0.3 . 1 . . . . 196 A CB . 7433 1 351 . 1 1 107 107 ALA N N 15 120.42 0.3 . 1 . . . . 196 A N . 7433 1 352 . 1 1 108 108 ILE H H 1 7.944 0.05 . 1 . . . . 197 I HN . 7433 1 353 . 1 1 108 108 ILE CA C 13 59.668 0.3 . 1 . . . . 197 I CA . 7433 1 354 . 1 1 108 108 ILE CB C 13 40.184 0.3 . 1 . . . . 197 I CB . 7433 1 355 . 1 1 108 108 ILE N N 15 117.813 0.3 . 1 . . . . 197 I N . 7433 1 356 . 1 1 109 109 ILE H H 1 9.679 0.05 . 1 . . . . 198 I HN . 7433 1 357 . 1 1 109 109 ILE CA C 13 60.317 0.3 . 1 . . . . 198 I CA . 7433 1 358 . 1 1 109 109 ILE CB C 13 43.185 0.3 . 1 . . . . 198 I CB . 7433 1 359 . 1 1 109 109 ILE N N 15 129.636 0.3 . 1 . . . . 198 I N . 7433 1 360 . 1 1 110 110 THR H H 1 8.723 0.05 . 1 . . . . 199 T HN . 7433 1 361 . 1 1 110 110 THR CA C 13 62.821 0.3 . 1 . . . . 199 T CA . 7433 1 362 . 1 1 110 110 THR CB C 13 69.896 0.3 . 1 . . . . 199 T CB . 7433 1 363 . 1 1 110 110 THR N N 15 123.413 0.3 . 1 . . . . 199 T N . 7433 1 364 . 1 1 111 111 LEU H H 1 9.557 0.05 . 1 . . . . 200 L HN . 7433 1 365 . 1 1 111 111 LEU CA C 13 53.586 0.3 . 1 . . . . 200 L CA . 7433 1 366 . 1 1 111 111 LEU CB C 13 45.274 0.3 . 1 . . . . 200 L CB . 7433 1 367 . 1 1 111 111 LEU N N 15 129.291 0.3 . 1 . . . . 200 L N . 7433 1 368 . 1 1 112 112 ARG H H 1 8.88 0.05 . 1 . . . . 201 R HN . 7433 1 369 . 1 1 112 112 ARG CA C 13 54.712 0.3 . 1 . . . . 201 R CA . 7433 1 370 . 1 1 112 112 ARG CB C 13 32.901 0.3 . 1 . . . . 201 R CB . 7433 1 371 . 1 1 112 112 ARG N N 15 127.906 0.3 . 1 . . . . 201 R N . 7433 1 372 . 1 1 113 113 VAL H H 1 8.279 0.05 . 1 . . . . 202 V HN . 7433 1 373 . 1 1 113 113 VAL CA C 13 60.399 0.3 . 1 . . . . 202 V CA . 7433 1 374 . 1 1 113 113 VAL CB C 13 33.822 0.3 . 1 . . . . 202 V CB . 7433 1 375 . 1 1 113 113 VAL N N 15 121.84 0.3 . 1 . . . . 202 V N . 7433 1 376 . 1 1 114 114 ARG H H 1 8.566 0.05 . 1 . . . . 203 R HN . 7433 1 377 . 1 1 114 114 ARG CA C 13 54.928 0.3 . 1 . . . . 203 R CA . 7433 1 378 . 1 1 114 114 ARG CB C 13 32.107 0.3 . 1 . . . . 203 R CB . 7433 1 379 . 1 1 114 114 ARG N N 15 127.965 0.3 . 1 . . . . 203 R N . 7433 1 380 . 1 1 115 115 SER H H 1 8.646 0.05 . 1 . . . . 204 S HN . 7433 1 381 . 1 1 115 115 SER CA C 13 58.278 0.3 . 1 . . . . 204 S CA . 7433 1 382 . 1 1 115 115 SER CB C 13 64.213 0.3 . 1 . . . . 204 S CB . 7433 1 383 . 1 1 115 115 SER N N 15 120.37 0.3 . 1 . . . . 204 S N . 7433 1 384 . 1 1 116 116 HIS H H 1 8.65 0.05 . 1 . . . . 205 H HN . 7433 1 385 . 1 1 116 116 HIS CA C 13 57.75 0.3 . 1 . . . . 205 H CA . 7433 1 386 . 1 1 116 116 HIS CB C 13 29.872 0.3 . 1 . . . . 205 H CB . 7433 1 387 . 1 1 116 116 HIS N N 15 126.359 0.3 . 1 . . . . 205 H N . 7433 1 stop_ save_