data_7433 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Extracellular CD147 (EMMPRIN): Isoform -3 ; _BMRB_accession_number 7433 _BMRB_flat_file_name bmr7433.str _Entry_type original _Submission_date 2009-05-28 _Accession_date 2009-05-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _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.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schelgel Jennifer . . 2 Redzic Jasmina S. . 3 Porter Christopher . . 4 Yurchenko Vyacheslav . . 5 Bukrinsky Michael . . 6 Armstrong Geoffrey S. . 7 Zhang Fengli . . 8 Isern Nancy G. . 9 Degregori James . . 10 Hodges Robert . . 11 Eisenmesser Elan Z. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 96 "13C chemical shifts" 194 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-01-21 update BMRB 'complete entry citation' 2009-06-23 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16322 'Extracellular CD147 Isoform-2' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _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 _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19500591 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schlegel Jennifer . . 2 Redzic Jasmina S. . 3 Porter Christopher C. . 4 Yurchenko Vyacheslav . . 5 Bukrinsky Michael . . 6 Labeikovsky Wladimir . . 7 Armstrong Geoffrey S. . 8 Zhang Fengli . . 9 Isern Nancy G. . 10 DeGregori James . . 11 Hodges Robert . . 12 Eisenmesser 'Elan Zohar' . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 391 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 518 _Page_last 535 _Year 2009 _Details . loop_ _Keyword CD147 cyclophilin EMMPRIN isomerization proline stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CD147 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Extracellular CD147 Isoform-3' $CD147_94-205 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CD147_94-205 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CD147_94-205 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; GSHMMGTANIQLHGPPRVKA VKSSEHINEGETAMLVCKSE SVPPVTDWAWYKITDSEDKA LMNGSESRFFVSSSQGRSEL HIENLNMEADPGQYRCNGTS SKGSDQAIITLRVRSHLAAL WPFLG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 90 GLY 2 91 SER 3 92 HIS 4 93 MET 5 94 MET 6 95 GLY 7 96 THR 8 97 ALA 9 98 ASN 10 99 ILE 11 100 GLN 12 101 LEU 13 102 HIS 14 103 GLY 15 104 PRO 16 105 PRO 17 106 ARG 18 107 VAL 19 108 LYS 20 109 ALA 21 110 VAL 22 111 LYS 23 112 SER 24 113 SER 25 114 GLU 26 115 HIS 27 116 ILE 28 117 ASN 29 118 GLU 30 119 GLY 31 120 GLU 32 121 THR 33 122 ALA 34 123 MET 35 124 LEU 36 125 VAL 37 126 CYS 38 127 LYS 39 128 SER 40 129 GLU 41 130 SER 42 131 VAL 43 132 PRO 44 133 PRO 45 134 VAL 46 135 THR 47 136 ASP 48 137 TRP 49 138 ALA 50 139 TRP 51 140 TYR 52 141 LYS 53 142 ILE 54 143 THR 55 144 ASP 56 145 SER 57 146 GLU 58 147 ASP 59 148 LYS 60 149 ALA 61 150 LEU 62 151 MET 63 152 ASN 64 153 GLY 65 154 SER 66 155 GLU 67 156 SER 68 157 ARG 69 158 PHE 70 159 PHE 71 160 VAL 72 161 SER 73 162 SER 74 163 SER 75 164 GLN 76 165 GLY 77 166 ARG 78 167 SER 79 168 GLU 80 169 LEU 81 170 HIS 82 171 ILE 83 172 GLU 84 173 ASN 85 174 LEU 86 175 ASN 87 176 MET 88 177 GLU 89 178 ALA 90 179 ASP 91 180 PRO 92 181 GLY 93 182 GLN 94 183 TYR 95 184 ARG 96 185 CYS 97 186 ASN 98 187 GLY 99 188 THR 100 189 SER 101 190 SER 102 191 LYS 103 192 GLY 104 193 SER 105 194 ASP 106 195 GLN 107 196 ALA 108 197 ILE 109 198 ILE 110 199 THR 111 200 LEU 112 201 ARG 113 202 VAL 114 203 ARG 115 204 SER 116 205 HIS 117 206 LEU 118 207 ALA 119 208 ALA 120 209 LEU 121 210 TRP 122 211 PRO 123 212 PHE 124 213 LEU 125 214 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16322 CD147_22-214 96.80 198 100.00 100.00 3.29e-83 PDB 3B5H "Crystal Structure Of The Extracellular Portion Of Hab18gCD147" 89.60 184 100.00 100.00 1.07e-75 PDB 4U0Q "Plasmodium Falciparum Reticulocyte-binding Protein Homologue 5 (pfrh5) Bound To Basigin" 96.80 269 100.00 100.00 6.63e-83 DBJ BAA08109 "basigin [Homo sapiens]" 96.80 269 100.00 100.00 6.63e-83 DBJ BAB88938 "EMMPRIN [Homo sapiens]" 96.80 269 99.17 99.17 2.91e-81 DBJ BAC67167 "EMMPRIN [Bos taurus]" 89.60 205 100.00 100.00 1.23e-75 DBJ BAC67168 "cervical EMMPRIN [Homo sapiens]" 96.80 269 100.00 100.00 6.63e-83 DBJ BAC76828 "CD147 [Homo sapiens]" 96.80 269 99.17 99.17 5.12e-82 EMBL CAA45716 "M6 antigen [Homo sapiens]" 96.80 269 100.00 100.00 6.63e-83 EMBL CAH92402 "hypothetical protein [Pongo abelii]" 96.80 269 100.00 100.00 6.63e-83 GB AAA68936 "collagenase stimulatory factor [Homo sapiens]" 96.80 269 100.00 100.00 6.63e-83 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 GB AAB41120 "extracellular matrix metalloproteinase inducer [Homo sapiens]" 96.80 269 100.00 100.00 6.63e-83 GB AAC33279 "basigin [Homo sapiens]" 96.80 269 100.00 100.00 6.63e-83 GB AAD10704 "EMMPRIN [Homo sapiens]" 96.80 269 100.00 100.00 6.63e-83 REF NP_001128860 "basigin (Ok blood group) precursor [Pongo abelii]" 96.80 269 100.00 100.00 6.63e-83 REF NP_001719 "basigin isoform 1 precursor [Homo sapiens]" 96.80 385 100.00 100.00 1.79e-80 REF NP_940991 "basigin isoform 2 [Homo sapiens]" 96.80 269 100.00 100.00 6.63e-83 REF NP_940992 "basigin isoform 3 [Homo sapiens]" 96.80 176 100.00 100.00 3.08e-84 REF NP_940993 "basigin isoform 4 [Homo sapiens]" 96.80 205 100.00 100.00 1.39e-83 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 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 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CD147_94-205 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $CD147_94-205 'recombinant technology' . Escherichia coli DE3 pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' imidazole 50 mM 'natural abundance' $CD147_94-205 0.5 mM '[U-99% 13C; U-99% 15N]' H2O 93 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 720 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.232 . M pH 6.5 . pH pressure 1 . atm temperature 298.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.77 internal indirect . . . 0.25144953 water H 1 protons ppm 4.77 internal direct . . . 1.00000000 water N 15 protons ppm 4.77 internal indirect . . . 0.10132911 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Extracellular CD147 Isoform-3' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 94 5 MET H H 8.435 0.05 1 2 94 5 MET CA C 55.641 0.3 1 3 94 5 MET CB C 32.832 0.3 1 4 94 5 MET N N 121.812 0.3 1 5 95 6 GLY H H 8.461 0.05 1 6 95 6 GLY CA C 45.434 0.3 1 7 95 6 GLY N N 110.33 0.3 1 8 96 7 THR H H 8.067 0.05 1 9 96 7 THR CA C 61.822 0.3 1 10 96 7 THR CB C 69.765 0.3 1 11 96 7 THR N N 113.441 0.3 1 12 97 8 ALA H H 8.326 0.05 1 13 97 8 ALA CA C 52.693 0.3 1 14 97 8 ALA CB C 19.294 0.3 1 15 97 8 ALA N N 125.989 0.3 1 16 98 9 ASN H H 8.368 0.05 1 17 98 9 ASN CA C 53.218 0.3 1 18 98 9 ASN CB C 38.724 0.3 1 19 98 9 ASN N N 117.988 0.3 1 20 99 10 ILE H H 7.988 0.05 1 21 99 10 ILE CA C 61.345 0.3 1 22 99 10 ILE CB C 38.737 0.3 1 23 99 10 ILE N N 120.933 0.3 1 24 100 11 GLN H H 8.383 0.05 1 25 100 11 GLN CA C 55.726 0.3 1 26 100 11 GLN CB C 29.38 0.3 1 27 100 11 GLN N N 123.937 0.3 1 28 101 12 LEU H H 8.176 0.05 1 29 101 12 LEU CA C 55.211 0.3 1 30 101 12 LEU CB C 42.399 0.3 1 31 101 12 LEU N N 123.403 0.3 1 32 102 13 HIS H H 8.251 0.05 1 33 102 13 HIS CA C 55.465 0.3 1 34 102 13 HIS CB C 31.378 0.3 1 35 102 13 HIS N N 120.549 0.3 1 36 103 14 GLY H H 8.538 0.05 1 37 103 14 GLY CA C 45.119 0.3 1 38 103 14 GLY N N 110.515 0.3 1 39 105 16 PRO CA C 62.799 0.3 1 40 106 17 ARG H H 8.02 0.05 1 41 106 17 ARG CA C 53.636 0.3 1 42 106 17 ARG CB C 31.841 0.3 1 43 106 17 ARG N N 117.584 0.3 1 44 107 18 VAL H H 10.275 0.05 1 45 107 18 VAL CA C 60.8 0.3 1 46 107 18 VAL CB C 34.172 0.3 1 47 107 18 VAL N N 129.92 0.3 1 48 108 19 LYS H H 8.883 0.05 1 49 108 19 LYS CA C 54.11 0.3 1 50 108 19 LYS CB C 36.492 0.3 1 51 108 19 LYS N N 123.13 0.3 1 52 109 20 ALA H H 8.766 0.05 1 53 109 20 ALA CA C 51.289 0.3 1 54 109 20 ALA CB C 19.837 0.3 1 55 109 20 ALA N N 125.734 0.3 1 56 110 21 VAL H H 8.599 0.05 1 57 110 21 VAL CA C 66.336 0.3 1 58 110 21 VAL CB C 31.875 0.3 1 59 110 21 VAL N N 125.159 0.3 1 60 111 22 LYS H H 7.461 0.05 1 61 111 22 LYS CA C 55.72 0.3 1 62 111 22 LYS CB C 35.047 0.3 1 63 111 22 LYS N N 117.153 0.3 1 64 112 23 SER H H 8.86 0.05 1 65 112 23 SER CA C 60.462 0.3 1 66 112 23 SER CB C 63.718 0.3 1 67 112 23 SER N N 118.248 0.3 1 68 113 24 SER H H 7.696 0.05 1 69 113 24 SER CA C 56.76 0.3 1 70 113 24 SER CB C 64.834 0.3 1 71 113 24 SER N N 116.27 0.3 1 72 114 25 GLU H H 8.699 0.05 1 73 114 25 GLU CA C 54.79 0.3 1 74 114 25 GLU CB C 34.065 0.3 1 75 114 25 GLU N N 123.381 0.3 1 76 115 26 HIS H H 9.101 0.05 1 77 115 26 HIS CA C 54.119 0.3 1 78 115 26 HIS CB C 31.603 0.3 1 79 115 26 HIS N N 126.58 0.3 1 80 116 27 ILE H H 8.189 0.05 1 81 116 27 ILE CA C 58.92 0.3 1 82 116 27 ILE CB C 41.305 0.3 1 83 116 27 ILE N N 124.298 0.3 1 84 117 28 ASN H H 8.336 0.05 1 85 117 28 ASN CA C 53.459 0.3 1 86 117 28 ASN CB C 39.206 0.3 1 87 117 28 ASN N N 124.569 0.3 1 88 118 29 GLU H H 8.545 0.05 1 89 118 29 GLU CA C 57.434 0.3 1 90 118 29 GLU CB C 29.972 0.3 1 91 118 29 GLU N N 120.004 0.3 1 92 119 30 GLY H H 9.577 0.05 1 93 119 30 GLY CA C 45.178 0.3 1 94 119 30 GLY N N 113.951 0.3 1 95 120 31 GLU H H 7.476 0.05 1 96 120 31 GLU CA C 55.664 0.3 1 97 120 31 GLU CB C 29.954 0.3 1 98 120 31 GLU N N 120.267 0.3 1 99 121 32 THR H H 8.158 0.05 1 100 121 32 THR CA C 60.827 0.3 1 101 121 32 THR CB C 70.656 0.3 1 102 121 32 THR N N 114.103 0.3 1 103 122 33 ALA H H 8.773 0.05 1 104 122 33 ALA CA C 50.448 0.3 1 105 122 33 ALA CB C 22.14 0.3 1 106 122 33 ALA N N 128.017 0.3 1 107 123 34 MET H H 8.502 0.05 1 108 123 34 MET CA C 54.703 0.3 1 109 123 34 MET CB C 34.097 0.3 1 110 123 34 MET N N 120.958 0.3 1 111 124 35 LEU H H 9.062 0.05 1 112 124 35 LEU CA C 53.846 0.3 1 113 124 35 LEU CB C 41.73 0.3 1 114 124 35 LEU N N 129.117 0.3 1 115 125 36 VAL H H 8.564 0.05 1 116 125 36 VAL CA C 61.245 0.3 1 117 125 36 VAL CB C 35.732 0.3 1 118 125 36 VAL N N 120.565 0.3 1 119 126 37 CYS H H 8.962 0.05 1 120 126 37 CYS CA C 53.664 0.3 1 121 126 37 CYS CB C 47.898 0.3 1 122 126 37 CYS N N 123.664 0.3 1 123 127 38 LYS H H 9.253 0.05 1 124 127 38 LYS CA C 54.67 0.3 1 125 127 38 LYS CB C 37.356 0.3 1 126 127 38 LYS N N 117.165 0.3 1 127 128 39 SER H H 8.728 0.05 1 128 128 39 SER CA C 57.713 0.3 1 129 128 39 SER CB C 66.28 0.3 1 130 128 39 SER N N 112.206 0.3 1 131 129 40 GLU CA C 55.209 0.3 1 132 129 40 GLU CB C 29.904 0.3 1 133 130 41 SER H H 8.299 0.05 1 134 130 41 SER CA C 60.366 0.3 1 135 130 41 SER CB C 64.323 0.3 1 136 130 41 SER N N 117.475 0.3 1 137 131 42 VAL H H 8.119 0.05 1 138 131 42 VAL CA C 60.055 0.3 1 139 131 42 VAL CB C 35.065 0.3 1 140 131 42 VAL N N 121.503 0.3 1 141 133 44 PRO CA C 62.004 0.3 1 142 134 45 VAL H H 8.335 0.05 1 143 134 45 VAL CA C 63.549 0.3 1 144 134 45 VAL CB C 31.741 0.3 1 145 134 45 VAL N N 120.361 0.3 1 146 135 46 THR H H 7.932 0.05 1 147 135 46 THR CA C 61.544 0.3 1 148 135 46 THR CB C 69.816 0.3 1 149 135 46 THR N N 117.088 0.3 1 150 136 47 ASP H H 7.376 0.05 1 151 136 47 ASP CA C 53.715 0.3 1 152 136 47 ASP CB C 43.355 0.3 1 153 136 47 ASP N N 123.782 0.3 1 154 137 48 TRP H H 8.785 0.05 1 155 137 48 TRP HE1 H 10.104 0.05 1 156 137 48 TRP CA C 55.403 0.3 1 157 137 48 TRP CB C 33.628 0.3 1 158 137 48 TRP N N 124.105 0.3 1 159 137 48 TRP NE1 N 128.488 0.3 1 160 138 49 ALA CA C 51.857 0.3 1 161 138 49 ALA CB C 23.475 0.3 1 162 139 50 TRP H H 8.757 0.05 1 163 139 50 TRP CA C 56.352 0.3 1 164 139 50 TRP CB C 33.22 0.3 1 165 139 50 TRP N N 120.572 0.3 1 166 140 51 TYR H H 9.412 0.05 1 167 140 51 TYR CA C 56.073 0.3 1 168 140 51 TYR CB C 43.368 0.3 1 169 140 51 TYR N N 117.356 0.3 1 170 141 52 LYS H H 9.321 0.05 1 171 141 52 LYS CA C 54.853 0.3 1 172 141 52 LYS CB C 35.482 0.3 1 173 141 52 LYS N N 122.917 0.3 1 174 142 53 ILE H H 8.429 0.05 1 175 142 53 ILE CA C 61.542 0.3 1 176 142 53 ILE CB C 37.202 0.3 1 177 142 53 ILE N N 128.766 0.3 1 178 143 54 THR H H 8.607 0.05 1 179 143 54 THR CA C 60.03 0.3 1 180 143 54 THR CB C 71.335 0.3 1 181 143 54 THR N N 120.526 0.3 1 182 144 55 ASP H H 8.591 0.05 1 183 144 55 ASP CA C 56.205 0.3 1 184 144 55 ASP CB C 40.438 0.3 1 185 144 55 ASP N N 118.558 0.3 1 186 145 56 SER H H 8.256 0.05 1 187 145 56 SER CA C 57.989 0.3 1 188 145 56 SER CB C 63.837 0.3 1 189 145 56 SER N N 112.674 0.3 1 190 146 57 GLU H H 7.713 0.05 1 191 146 57 GLU CA C 55.852 0.3 1 192 146 57 GLU CB C 31.682 0.3 1 193 146 57 GLU N N 120.843 0.3 1 194 147 58 ASP H H 8.749 0.05 1 195 147 58 ASP CA C 54.201 0.3 1 196 147 58 ASP CB C 40.41 0.3 1 197 147 58 ASP N N 125.832 0.3 1 198 148 59 LYS H H 9.051 0.05 1 199 148 59 LYS CA C 55.049 0.3 1 200 148 59 LYS CB C 34.276 0.3 1 201 148 59 LYS N N 125.191 0.3 1 202 149 60 ALA H H 8.885 0.05 1 203 149 60 ALA CA C 53.254 0.3 1 204 149 60 ALA CB C 18.797 0.3 1 205 149 60 ALA N N 130.432 0.3 1 206 150 61 LEU H H 8.027 0.05 1 207 150 61 LEU CA C 53.169 0.3 1 208 150 61 LEU CB C 41.392 0.3 1 209 150 61 LEU N N 124.785 0.3 1 210 151 62 MET H H 7.925 0.05 1 211 151 62 MET CA C 53.653 0.3 1 212 151 62 MET CB C 33.925 0.3 1 213 151 62 MET N N 119.992 0.3 1 214 152 63 ASN H H 8.865 0.05 1 215 152 63 ASN CA C 55.365 0.3 1 216 152 63 ASN CB C 39.148 0.3 1 217 152 63 ASN N N 119.778 0.3 1 218 161 72 SER H H 9.01 0.05 1 219 161 72 SER CA C 56.318 0.3 1 220 161 72 SER CB C 64.515 0.3 1 221 161 72 SER N N 122.715 0.3 1 222 162 73 SER H H 9.12 0.05 1 223 162 73 SER CA C 57.298 0.3 1 224 162 73 SER CB C 65.904 0.3 1 225 162 73 SER N N 124.253 0.3 1 226 163 74 SER H H 9.211 0.05 1 227 163 74 SER CA C 57.373 0.3 1 228 163 74 SER CB C 64.987 0.3 1 229 163 74 SER N N 119.276 0.3 1 230 164 75 GLN H H 8.829 0.05 1 231 164 75 GLN CA C 58.409 0.3 1 232 164 75 GLN CB C 28.107 0.3 1 233 164 75 GLN N N 120.416 0.3 1 234 165 76 GLY H H 9.225 0.05 1 235 165 76 GLY CA C 46.91 0.3 1 236 165 76 GLY N N 111.742 0.3 1 237 166 77 ARG H H 7.96 0.05 1 238 166 77 ARG CA C 55.969 0.3 1 239 166 77 ARG CB C 33.519 0.3 1 240 166 77 ARG N N 122.221 0.3 1 241 166 77 ARG NH2 N 73.586 0.3 2 242 167 78 SER H H 8.11 0.05 1 243 167 78 SER CB C 63.005 0.3 1 244 167 78 SER N N 117.03 0.3 1 245 168 79 GLU H H 8.591 0.05 1 246 168 79 GLU CA C 52.967 0.3 1 247 168 79 GLU CB C 33.207 0.3 1 248 168 79 GLU N N 125.776 0.3 1 249 169 80 LEU H H 8.795 0.05 1 250 169 80 LEU CA C 53.042 0.3 1 251 169 80 LEU CB C 40.98 0.3 1 252 169 80 LEU N N 125.855 0.3 1 253 170 81 HIS H H 9.541 0.05 1 254 170 81 HIS CA C 53.102 0.3 1 255 170 81 HIS CB C 31.075 0.3 1 256 170 81 HIS N N 126.4 0.3 1 257 171 82 ILE H H 8.553 0.05 1 258 171 82 ILE CA C 60.255 0.3 1 259 171 82 ILE CB C 40 0.3 1 260 171 82 ILE N N 122.052 0.3 1 261 172 83 GLU H H 8.664 0.05 1 262 172 83 GLU CA C 55.529 0.3 1 263 172 83 GLU CB C 31.33 0.3 1 264 172 83 GLU N N 124.259 0.3 1 265 173 84 ASN H H 8.213 0.05 1 266 173 84 ASN CA C 52.784 0.3 1 267 173 84 ASN CB C 36.898 0.3 1 268 173 84 ASN N N 117.007 0.3 1 269 174 85 LEU CA C 56.135 0.3 1 270 174 85 LEU CB C 43.844 0.3 1 271 175 86 ASN H H 10.185 0.05 1 272 175 86 ASN CA C 51.885 0.3 1 273 175 86 ASN CB C 41.97 0.3 1 274 175 86 ASN N N 124.668 0.3 1 275 176 87 MET H H 9.141 0.05 1 276 176 87 MET CA C 57.149 0.3 1 277 176 87 MET CB C 33.048 0.3 1 278 176 87 MET N N 121.172 0.3 1 279 177 88 GLU CA C 58.025 0.3 1 280 177 88 GLU CB C 30.399 0.3 1 281 178 89 ALA H H 8.197 0.05 1 282 178 89 ALA CA C 53.616 0.3 1 283 178 89 ALA CB C 21.017 0.3 1 284 178 89 ALA N N 120.07 0.3 1 285 179 90 ASP H H 7.616 0.05 1 286 179 90 ASP CA C 57.523 0.3 1 287 179 90 ASP CB C 40.667 0.3 1 288 179 90 ASP N N 116.578 0.3 1 289 180 91 PRO CA C 65.358 0.3 1 290 180 91 PRO CB C 31.52 0.3 1 291 181 92 GLY H H 8.876 0.05 1 292 181 92 GLY CA C 44.341 0.3 1 293 181 92 GLY N N 109.684 0.3 1 294 182 93 GLN H H 8.789 0.05 1 295 182 93 GLN CA C 55.269 0.3 1 296 182 93 GLN CB C 32.222 0.3 1 297 182 93 GLN N N 119.546 0.3 1 298 183 94 TYR H H 9.599 0.05 1 299 183 94 TYR CA C 56.867 0.3 1 300 183 94 TYR CB C 42.141 0.3 1 301 183 94 TYR N N 122.418 0.3 1 302 184 95 ARG H H 9.672 0.05 1 303 184 95 ARG CA C 53.471 0.3 1 304 184 95 ARG CB C 36.037 0.3 1 305 184 95 ARG N N 122.753 0.3 1 306 185 96 CYS H H 8.832 0.05 1 307 185 96 CYS CA C 52.351 0.3 1 308 185 96 CYS CB C 42.356 0.3 1 309 185 96 CYS N N 121.625 0.3 1 310 186 97 ASN H H 9.444 0.05 1 311 186 97 ASN CA C 52.389 0.3 1 312 186 97 ASN CB C 42.157 0.3 1 313 186 97 ASN N N 122.553 0.3 1 314 187 98 GLY H H 8.883 0.05 1 315 187 98 GLY CA C 44.921 0.3 1 316 187 98 GLY N N 112.748 0.3 1 317 188 99 THR H H 8.443 0.05 1 318 188 99 THR CA C 61.832 0.3 1 319 188 99 THR CB C 71.525 0.3 1 320 188 99 THR N N 120.807 0.3 1 321 189 100 SER H H 9.464 0.05 1 322 189 100 SER CA C 55.006 0.3 1 323 189 100 SER CB C 69.567 0.3 1 324 189 100 SER N N 124.073 0.3 1 325 190 101 SER H H 8.854 0.05 1 326 190 101 SER CA C 60.376 0.3 1 327 190 101 SER CB C 62.769 0.3 1 328 190 101 SER N N 114.232 0.3 1 329 191 102 LYS H H 8.023 0.05 1 330 191 102 LYS CA C 54.209 0.3 1 331 191 102 LYS CB C 33.939 0.3 1 332 191 102 LYS N N 118.323 0.3 1 333 192 103 GLY H H 7.38 0.05 1 334 192 103 GLY CA C 45.089 0.3 1 335 192 103 GLY N N 107.492 0.3 1 336 193 104 SER H H 8.472 0.05 1 337 193 104 SER CA C 56.702 0.3 1 338 193 104 SER CB C 66.858 0.3 1 339 193 104 SER N N 113.669 0.3 1 340 194 105 ASP H H 8.741 0.05 1 341 194 105 ASP CA C 53.681 0.3 1 342 194 105 ASP CB C 45.017 0.3 1 343 194 105 ASP N N 119.491 0.3 1 344 195 106 GLN H H 7.948 0.05 1 345 195 106 GLN CA C 53.446 0.3 1 346 195 106 GLN CB C 32.748 0.3 1 347 195 106 GLN N N 115.831 0.3 1 348 196 107 ALA H H 8.237 0.05 1 349 196 107 ALA CA C 51.245 0.3 1 350 196 107 ALA CB C 23.139 0.3 1 351 196 107 ALA N N 120.42 0.3 1 352 197 108 ILE H H 7.944 0.05 1 353 197 108 ILE CA C 59.668 0.3 1 354 197 108 ILE CB C 40.184 0.3 1 355 197 108 ILE N N 117.813 0.3 1 356 198 109 ILE H H 9.679 0.05 1 357 198 109 ILE CA C 60.317 0.3 1 358 198 109 ILE CB C 43.185 0.3 1 359 198 109 ILE N N 129.636 0.3 1 360 199 110 THR H H 8.723 0.05 1 361 199 110 THR CA C 62.821 0.3 1 362 199 110 THR CB C 69.896 0.3 1 363 199 110 THR N N 123.413 0.3 1 364 200 111 LEU H H 9.557 0.05 1 365 200 111 LEU CA C 53.586 0.3 1 366 200 111 LEU CB C 45.274 0.3 1 367 200 111 LEU N N 129.291 0.3 1 368 201 112 ARG H H 8.88 0.05 1 369 201 112 ARG CA C 54.712 0.3 1 370 201 112 ARG CB C 32.901 0.3 1 371 201 112 ARG N N 127.906 0.3 1 372 202 113 VAL H H 8.279 0.05 1 373 202 113 VAL CA C 60.399 0.3 1 374 202 113 VAL CB C 33.822 0.3 1 375 202 113 VAL N N 121.84 0.3 1 376 203 114 ARG H H 8.566 0.05 1 377 203 114 ARG CA C 54.928 0.3 1 378 203 114 ARG CB C 32.107 0.3 1 379 203 114 ARG N N 127.965 0.3 1 380 204 115 SER H H 8.646 0.05 1 381 204 115 SER CA C 58.278 0.3 1 382 204 115 SER CB C 64.213 0.3 1 383 204 115 SER N N 120.37 0.3 1 384 205 116 HIS H H 8.65 0.05 1 385 205 116 HIS CA C 57.75 0.3 1 386 205 116 HIS CB C 29.872 0.3 1 387 205 116 HIS N N 126.359 0.3 1 stop_ save_