data_17474 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for CD147 Ig0 C66M domain. ; _BMRB_accession_number 17474 _BMRB_flat_file_name bmr17474.str _Entry_type original _Submission_date 2011-02-17 _Accession_date 2011-02-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Redzic Jasmina S. . 2 Armstrong Geoffrey S. . 3 Isern Nancy G. . 4 Kieft Jeffrey S. . 5 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" 108 "13C chemical shifts" 214 "15N chemical shifts" 106 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-09 update BMRB 'update entry citation' 2011-06-01 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The retinal specific CD147 Ig0 domain: from molecular structure to biological activity.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21620857 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Redzic Jasmina S. . 2 Armstrong Geoffrey S. . 3 Isern Nancy G. . 4 Jones David N.M. . 5 Kieft Jeffrey S. . 6 Eisenmesser 'Elan Zohar' . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 411 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 68 _Page_last 82 _Year 2011 _Details . loop_ _Keyword CD147 EMMPRIN Immunoglobulin Interleukin-6 retinoblastoma stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CD147 Ig0 C66M Dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CD147 Ig0 C66M_Molecule 1' $CD147_Ig0_C66M 'CD147 Ig0 C66M_Molecule 2' $CD147_Ig0_C66M 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_Ig0_C66M _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CD147_Ig0_C66M _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MAGFVQAPLSQQRWVGGSVE LHCEAVGSPVPEIQWWFEGQ GPNDIMSQLWDGARLDRVHI HATYHQHAASTISIDTLVEE DTGTYECRASNDPDRNHLTR APRVKWVRAQAVVLVLE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 LEU 15 VAL 16 PRO 17 ARG 18 GLY 19 SER 20 HIS 21 MET 22 ALA 23 GLY 24 PHE 25 VAL 26 GLN 27 ALA 28 PRO 29 LEU 30 SER 31 GLN 32 GLN 33 ARG 34 TRP 35 VAL 36 GLY 37 GLY 38 SER 39 VAL 40 GLU 41 LEU 42 HIS 43 CYS 44 GLU 45 ALA 46 VAL 47 GLY 48 SER 49 PRO 50 VAL 51 PRO 52 GLU 53 ILE 54 GLN 55 TRP 56 TRP 57 PHE 58 GLU 59 GLY 60 GLN 61 GLY 62 PRO 63 ASN 64 ASP 65 ILE 66 MET 67 SER 68 GLN 69 LEU 70 TRP 71 ASP 72 GLY 73 ALA 74 ARG 75 LEU 76 ASP 77 ARG 78 VAL 79 HIS 80 ILE 81 HIS 82 ALA 83 THR 84 TYR 85 HIS 86 GLN 87 HIS 88 ALA 89 ALA 90 SER 91 THR 92 ILE 93 SER 94 ILE 95 ASP 96 THR 97 LEU 98 VAL 99 GLU 100 GLU 101 ASP 102 THR 103 GLY 104 THR 105 TYR 106 GLU 107 CYS 108 ARG 109 ALA 110 SER 111 ASN 112 ASP 113 PRO 114 ASP 115 ARG 116 ASN 117 HIS 118 LEU 119 THR 120 ARG 121 ALA 122 PRO 123 ARG 124 VAL 125 LYS 126 TRP 127 VAL 128 ARG 129 ALA 130 GLN 131 ALA 132 VAL 133 VAL 134 LEU 135 VAL 136 LEU 137 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 PDB 3QQN "The Retinal Specific Cd147 Ig0 Domain: From Molecular Structure To Biological Activity" 99.27 137 98.53 98.53 7.26e-92 PDB 3QR2 "Wild Type Cd147 Ig0 Domain" 100.00 137 99.27 99.27 6.27e-94 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_Ig0_C66M 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_Ig0_C66M 'recombinant technology' . Escherichia coli . 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 'Ammonium Chloride' 0.1 w/v '[U-99% 15N]' D2O 100 % '[U-99% 2H]' glucose 0.2 w/v 'U-13C6, 99%' TRIS 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_2H15N13C_sample _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.25 . M pH 7 . pH pressure 1 . atm temperature 298 . 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 4.773 internal indirect . . . 0.2514 water H 1 protons ppm 4.773 internal indirect . . . 1.0 water N 15 protons ppm 4.773 internal indirect . . . 0.1013 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 1H-15N NOESY' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $2H15N13C_sample _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'CD147 Ig0 C66M_Molecule 1' _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 12 12 SER H H 8.502 . 1 2 12 12 SER CA C 58.415 . 1 3 12 12 SER CB C 63.483 . 1 4 12 12 SER N N 118.081 . 1 5 13 13 GLY H H 8.372 . 1 6 13 13 GLY N N 110.560 . 1 7 14 14 LEU H H 8.036 . 1 8 14 14 LEU CA C 54.835 . 1 9 14 14 LEU CB C 41.572 . 1 10 14 14 LEU N N 121.572 . 1 11 15 15 VAL H H 8.066 . 1 12 15 15 VAL CA C 59.319 . 1 13 15 15 VAL CB C 31.842 . 1 14 15 15 VAL N N 121.911 . 1 15 16 16 PRO CA C 60.285 . 1 16 16 16 PRO CB C 31.193 . 1 17 17 17 ARG H H 8.465 . 1 18 17 17 ARG CA C 56.162 . 1 19 17 17 ARG CB C 29.859 . 1 20 17 17 ARG N N 121.884 . 1 21 18 18 GLY H H 8.483 . 1 22 18 18 GLY CA C 44.760 . 1 23 18 18 GLY N N 110.305 . 1 24 19 19 SER H H 7.908 . 1 25 19 19 SER CA C 57.793 . 1 26 19 19 SER CB C 63.746 . 1 27 19 19 SER N N 115.194 . 1 28 20 20 HIS H H 8.495 . 1 29 20 20 HIS CA C 55.953 . 1 30 20 20 HIS CB C 29.437 . 1 31 20 20 HIS N N 121.116 . 1 32 21 21 MET H H 8.390 . 1 33 21 21 MET CA C 55.291 . 1 34 21 21 MET CB C 33.257 . 1 35 21 21 MET N N 122.495 . 1 36 22 22 ALA CA C 50.136 . 1 37 22 22 ALA CB C 19.926 . 1 38 23 23 GLY H H 8.110 . 1 39 23 23 GLY CA C 43.632 . 1 40 23 23 GLY N N 106.108 . 1 41 24 24 PHE H H 9.892 . 1 42 24 24 PHE CA C 59.644 . 1 43 24 24 PHE CB C 39.561 . 1 44 24 24 PHE N N 120.756 . 1 45 25 25 VAL H H 8.273 . 1 46 25 25 VAL CA C 59.077 . 1 47 25 25 VAL CB C 32.171 . 1 48 25 25 VAL N N 113.371 . 1 49 26 26 GLN H H 7.941 . 1 50 26 26 GLN CA C 56.201 . 1 51 26 26 GLN CB C 30.930 . 1 52 26 26 GLN N N 119.836 . 1 53 27 27 ALA H H 9.139 . 1 54 27 27 ALA CA C 48.016 . 1 55 27 27 ALA CB C 17.685 . 1 56 27 27 ALA N N 129.368 . 1 57 28 28 PRO CA C 62.311 . 1 58 28 28 PRO CB C 31.584 . 1 59 29 29 LEU H H 8.567 . 1 60 29 29 LEU CA C 53.894 . 1 61 29 29 LEU CB C 44.122 . 1 62 29 29 LEU N N 124.727 . 1 63 30 30 SER H H 7.461 . 1 64 30 30 SER CA C 59.155 . 1 65 30 30 SER CB C 63.602 . 1 66 30 30 SER N N 119.751 . 1 67 31 31 GLN H H 8.700 . 1 68 31 31 GLN CA C 54.023 . 1 69 31 31 GLN CB C 34.911 . 1 70 31 31 GLN N N 119.290 . 1 71 32 32 GLN H H 8.724 . 1 72 32 32 GLN CA C 53.765 . 1 73 32 32 GLN CB C 29.484 . 1 74 32 32 GLN N N 120.942 . 1 75 33 33 ARG H H 9.069 . 1 76 33 33 ARG CA C 51.725 . 1 77 33 33 ARG CB C 34.824 . 1 78 33 33 ARG N N 126.498 . 1 79 34 34 TRP H H 8.386 . 1 80 34 34 TRP CA C 55.643 . 1 81 34 34 TRP CB C 31.551 . 1 82 34 34 TRP N N 121.427 . 1 83 35 35 VAL H H 8.348 . 1 84 35 35 VAL CA C 63.740 . 1 85 35 35 VAL CB C 31.480 . 1 86 35 35 VAL N N 120.053 . 1 87 36 36 GLY H H 9.809 . 1 88 36 36 GLY CA C 44.668 . 1 89 36 36 GLY N N 116.566 . 1 90 37 37 GLY H H 8.526 . 1 91 37 37 GLY CA C 44.008 . 1 92 37 37 GLY N N 109.629 . 1 93 38 38 SER H H 8.301 . 1 94 38 38 SER CA C 56.367 . 1 95 38 38 SER CB C 66.319 . 1 96 38 38 SER N N 112.037 . 1 97 39 39 VAL H H 8.425 . 1 98 39 39 VAL CA C 59.534 . 1 99 39 39 VAL CB C 34.722 . 1 100 39 39 VAL N N 118.860 . 1 101 40 40 GLU H H 7.953 . 1 102 40 40 GLU CA C 54.068 . 1 103 40 40 GLU CB C 32.388 . 1 104 40 40 GLU N N 124.895 . 1 105 41 41 LEU H H 8.921 . 1 106 41 41 LEU CA C 52.584 . 1 107 41 41 LEU CB C 43.777 . 1 108 41 41 LEU N N 122.193 . 1 109 42 42 HIS H H 8.962 . 1 110 42 42 HIS CA C 54.495 . 1 111 42 42 HIS CB C 32.031 . 1 112 42 42 HIS N N 119.515 . 1 113 43 43 CYS H H 8.657 . 1 114 43 43 CYS CA C 53.191 . 1 115 43 43 CYS CB C 45.729 . 1 116 43 43 CYS N N 119.829 . 1 117 44 44 GLU H H 9.424 . 1 118 44 44 GLU CA C 54.797 . 1 119 44 44 GLU CB C 33.729 . 1 120 44 44 GLU N N 124.055 . 1 121 45 45 ALA H H 9.677 . 1 122 45 45 ALA CA C 50.239 . 1 123 45 45 ALA CB C 22.548 . 1 124 45 45 ALA N N 127.235 . 1 125 46 46 VAL H H 9.057 . 1 126 46 46 VAL CA C 57.943 . 1 127 46 46 VAL CB C 34.457 . 1 128 46 46 VAL N N 113.548 . 1 129 47 47 GLY H H 7.946 . 1 130 47 47 GLY CA C 44.491 . 1 131 47 47 GLY N N 106.833 . 1 132 48 48 SER H H 8.321 . 1 133 48 48 SER CA C 54.510 . 1 134 48 48 SER CB C 64.315 . 1 135 48 48 SER N N 114.605 . 1 136 49 49 PRO CA C 62.650 . 1 137 49 49 PRO CB C 33.955 . 1 138 50 50 VAL H H 8.437 . 1 139 50 50 VAL CA C 60.848 . 1 140 50 50 VAL CB C 31.540 . 1 141 50 50 VAL N N 121.505 . 1 142 51 51 PRO CA C 61.718 . 1 143 51 51 PRO CB C 31.175 . 1 144 52 52 GLU H H 7.661 . 1 145 52 52 GLU CA C 55.309 . 1 146 52 52 GLU CB C 30.985 . 1 147 52 52 GLU N N 118.655 . 1 148 53 53 ILE H H 8.136 . 1 149 53 53 ILE CA C 59.486 . 1 150 53 53 ILE CB C 40.534 . 1 151 53 53 ILE N N 122.952 . 1 152 54 54 GLN H H 9.258 . 1 153 54 54 GLN CA C 53.146 . 1 154 54 54 GLN CB C 32.695 . 1 155 54 54 GLN N N 126.120 . 1 156 55 55 TRP H H 9.277 . 1 157 55 55 TRP CA C 56.040 . 1 158 55 55 TRP CB C 32.652 . 1 159 55 55 TRP N N 119.894 . 1 160 57 57 PHE H H 9.499 . 1 161 57 57 PHE CA C 55.207 . 1 162 57 57 PHE CB C 43.089 . 1 163 57 57 PHE N N 121.690 . 1 164 58 58 GLU H H 8.117 . 1 165 58 58 GLU CA C 54.348 . 1 166 58 58 GLU CB C 33.721 . 1 167 58 58 GLU N N 129.086 . 1 168 59 59 GLY H H 8.189 . 1 169 59 59 GLY CA C 44.696 . 1 170 59 59 GLY N N 114.593 . 1 171 60 60 GLN H H 8.454 . 1 172 60 60 GLN CA C 55.524 . 1 173 60 60 GLN CB C 29.529 . 1 174 60 60 GLN N N 114.118 . 1 175 61 61 GLY H H 8.997 . 1 176 61 61 GLY CA C 44.434 . 1 177 61 61 GLY N N 111.863 . 1 178 62 62 PRO CA C 64.031 . 1 179 62 62 PRO CB C 30.990 . 1 180 63 63 ASN H H 8.603 . 1 181 63 63 ASN CA C 51.859 . 1 182 63 63 ASN CB C 38.585 . 1 183 63 63 ASN N N 115.125 . 1 184 64 64 ASP H H 7.149 . 1 185 64 64 ASP CA C 54.935 . 1 186 64 64 ASP CB C 39.967 . 1 187 64 64 ASP N N 122.163 . 1 188 65 65 ILE H H 8.195 . 1 189 65 65 ILE CA C 59.101 . 1 190 65 65 ILE CB C 40.450 . 1 191 65 65 ILE N N 117.635 . 1 192 66 66 MET H H 8.474 . 1 193 66 66 MET CA C 55.701 . 1 194 66 66 MET CB C 32.598 . 1 195 66 66 MET N N 124.696 . 1 196 67 67 SER H H 9.419 . 1 197 67 67 SER CA C 57.503 . 1 198 67 67 SER CB C 65.790 . 1 199 67 67 SER N N 120.554 . 1 200 68 68 GLN H H 8.002 . 1 201 68 68 GLN CA C 56.521 . 1 202 68 68 GLN CB C 26.741 . 1 203 68 68 GLN N N 126.890 . 1 204 69 69 LEU H H 8.838 . 1 205 69 69 LEU CA C 53.505 . 1 206 69 69 LEU CB C 43.769 . 1 207 69 69 LEU N N 126.227 . 1 208 70 70 TRP H H 6.107 . 1 209 70 70 TRP CA C 54.675 . 1 210 70 70 TRP CB C 31.374 . 1 211 70 70 TRP N N 115.427 . 1 212 71 71 ASP H H 9.052 . 1 213 71 71 ASP CA C 56.568 . 1 214 71 71 ASP CB C 41.972 . 1 215 71 71 ASP N N 120.170 . 1 216 72 72 GLY H H 8.943 . 1 217 72 72 GLY CA C 44.354 . 1 218 72 72 GLY N N 116.287 . 1 219 73 73 ALA H H 7.326 . 1 220 73 73 ALA CA C 51.897 . 1 221 73 73 ALA CB C 17.267 . 1 222 73 73 ALA N N 123.058 . 1 223 74 74 ARG H H 8.521 . 1 224 74 74 ARG CA C 55.941 . 1 225 74 74 ARG CB C 25.816 . 1 226 74 74 ARG N N 113.206 . 1 227 75 75 LEU H H 8.778 . 1 228 75 75 LEU CA C 54.879 . 1 229 75 75 LEU CB C 37.414 . 1 230 75 75 LEU N N 116.067 . 1 231 76 76 ASP H H 7.334 . 1 232 76 76 ASP CA C 55.482 . 1 233 76 76 ASP CB C 40.226 . 1 234 76 76 ASP N N 113.118 . 1 235 77 77 ARG H H 7.203 . 1 236 77 77 ARG CA C 57.429 . 1 237 77 77 ARG CB C 29.800 . 1 238 77 77 ARG N N 114.371 . 1 239 78 78 VAL H H 7.270 . 1 240 78 78 VAL CA C 60.289 . 1 241 78 78 VAL CB C 31.094 . 1 242 78 78 VAL N N 116.396 . 1 243 79 79 HIS H H 9.021 . 1 244 79 79 HIS CA C 53.167 . 1 245 79 79 HIS CB C 30.325 . 1 246 79 79 HIS N N 124.819 . 1 247 82 82 ALA H H 8.631 . 1 248 82 82 ALA CA C 50.795 . 1 249 82 82 ALA CB C 21.620 . 1 250 82 82 ALA N N 125.433 . 1 251 83 83 THR H H 8.999 . 1 252 83 83 THR HA H 3.907 . 1 253 83 83 THR HB H 4.319 . 1 254 83 83 THR CA C 60.101 . 1 255 83 83 THR CB C 71.038 . 1 256 83 83 THR N N 114.116 . 1 257 84 84 TYR H H 8.639 . 1 258 84 84 TYR CA C 56.426 . 1 259 84 84 TYR CB C 38.591 . 1 260 84 84 TYR N N 122.415 . 1 261 85 85 HIS H H 7.902 . 1 262 85 85 HIS CA C 55.031 . 1 263 85 85 HIS CB C 28.828 . 1 264 85 85 HIS N N 122.499 . 1 265 86 86 GLN H H 7.821 . 1 266 86 86 GLN CA C 58.660 . 1 267 86 86 GLN N N 119.348 . 1 268 87 87 HIS H H 8.387 . 1 269 87 87 HIS CA C 53.867 . 1 270 87 87 HIS CB C 30.802 . 1 271 87 87 HIS N N 115.769 . 1 272 88 88 ALA H H 8.884 . 1 273 88 88 ALA CA C 50.971 . 1 274 88 88 ALA CB C 21.547 . 1 275 88 88 ALA N N 123.557 . 1 276 89 89 ALA CA C 50.532 . 1 277 89 89 ALA CB C 21.459 . 1 278 90 90 SER H H 9.021 . 1 279 90 90 SER CA C 56.210 . 1 280 90 90 SER CB C 64.557 . 1 281 90 90 SER N N 114.950 . 1 282 91 91 THR H H 8.783 . 1 283 91 91 THR CA C 60.730 . 1 284 91 91 THR CB C 71.916 . 1 285 91 91 THR N N 124.800 . 1 286 92 92 ILE H H 8.639 . 1 287 92 92 ILE CA C 56.861 . 1 288 92 92 ILE CB C 39.202 . 1 289 92 92 ILE N N 126.648 . 1 290 93 93 SER H H 9.168 . 1 291 93 93 SER CA C 55.235 . 1 292 93 93 SER CB C 65.377 . 1 293 93 93 SER N N 121.966 . 1 294 94 94 ILE H H 8.533 . 1 295 94 94 ILE CA C 59.896 . 1 296 94 94 ILE CB C 39.357 . 1 297 94 94 ILE N N 122.191 . 1 298 95 95 ASP H H 8.449 . 1 299 95 95 ASP CA C 52.897 . 1 300 95 95 ASP CB C 43.716 . 1 301 95 95 ASP N N 125.724 . 1 302 96 96 THR H H 8.155 . 1 303 96 96 THR CA C 60.939 . 1 304 96 96 THR CB C 66.992 . 1 305 96 96 THR N N 113.796 . 1 306 97 97 LEU H H 8.425 . 1 307 97 97 LEU CA C 54.812 . 1 308 97 97 LEU CB C 42.785 . 1 309 97 97 LEU N N 118.062 . 1 310 98 98 VAL H H 8.993 . 1 311 98 98 VAL CA C 58.594 . 1 312 98 98 VAL CB C 34.998 . 1 313 98 98 VAL N N 115.023 . 1 314 99 99 GLU H H 9.304 . 1 315 99 99 GLU CA C 60.621 . 1 316 99 99 GLU CB C 28.532 . 1 317 99 99 GLU N N 123.184 . 1 318 100 100 GLU H H 9.102 . 1 319 100 100 GLU CA C 58.601 . 1 320 100 100 GLU CB C 27.635 . 1 321 100 100 GLU N N 116.460 . 1 322 101 101 ASP H H 8.119 . 1 323 101 101 ASP CA C 54.935 . 1 324 101 101 ASP CB C 40.747 . 1 325 101 101 ASP N N 118.356 . 1 326 102 102 THR H H 8.117 . 1 327 102 102 THR CA C 63.358 . 1 328 102 102 THR CB C 69.894 . 1 329 102 102 THR N N 119.472 . 1 330 103 103 GLY H H 8.967 . 1 331 103 103 GLY CA C 44.680 . 1 332 103 103 GLY N N 111.538 . 1 333 104 104 THR H H 8.465 . 1 334 104 104 THR CA C 62.309 . 1 335 104 104 THR N N 117.781 . 1 336 105 105 TYR H H 9.774 . 1 337 105 105 TYR CB C 40.123 . 1 338 105 105 TYR N N 126.871 . 1 339 106 106 GLU H H 10.000 . 1 340 106 106 GLU CA C 54.002 . 1 341 106 106 GLU CB C 34.400 . 1 342 106 106 GLU N N 124.248 . 1 343 107 107 CYS H H 9.000 . 1 344 107 107 CYS CA C 53.029 . 1 345 107 107 CYS CB C 41.565 . 1 346 107 107 CYS N N 126.476 . 1 347 108 108 ARG H H 9.210 . 1 348 108 108 ARG CA C 53.384 . 1 349 108 108 ARG CB C 33.657 . 1 350 108 108 ARG N N 124.351 . 1 351 109 109 ALA H H 9.187 . 1 352 109 109 ALA CA C 49.596 . 1 353 109 109 ALA CB C 22.034 . 1 354 109 109 ALA N N 122.291 . 1 355 110 110 SER H H 7.582 . 1 356 110 110 SER CA C 56.990 . 1 357 110 110 SER CB C 63.191 . 1 358 110 110 SER N N 112.402 . 1 359 113 113 PRO CA C 64.224 . 1 360 113 113 PRO CB C 31.182 . 1 361 114 114 ASP H H 9.224 . 1 362 114 114 ASP CA C 54.416 . 1 363 114 114 ASP CB C 40.079 . 1 364 114 114 ASP N N 118.885 . 1 365 115 115 ARG H H 7.602 . 1 366 115 115 ARG CA C 57.786 . 1 367 115 115 ARG CB C 27.130 . 1 368 115 115 ARG N N 118.352 . 1 369 117 117 HIS H H 7.737 . 1 370 117 117 HIS CA C 57.107 . 1 371 117 117 HIS CB C 31.166 . 1 372 117 117 HIS N N 123.298 . 1 373 118 118 LEU H H 8.307 . 1 374 118 118 LEU CA C 57.502 . 1 375 118 118 LEU CB C 41.737 . 1 376 118 118 LEU N N 125.673 . 1 377 124 124 VAL H H 7.725 . 1 378 124 124 VAL CA C 62.207 . 1 379 124 124 VAL CB C 31.556 . 1 380 124 124 VAL N N 121.112 . 1 381 125 125 LYS H H 8.586 . 1 382 125 125 LYS CA C 55.738 . 1 383 125 125 LYS CB C 31.771 . 1 384 125 125 LYS N N 127.334 . 1 385 126 126 TRP H H 9.850 . 1 386 126 126 TRP CA C 55.649 . 1 387 126 126 TRP CB C 32.452 . 1 388 126 126 TRP N N 124.118 . 1 389 127 127 VAL CB C 30.016 . 1 390 128 128 ARG H H 7.825 . 1 391 128 128 ARG CB C 33.454 . 1 392 128 128 ARG N N 120.694 . 1 393 129 129 ALA H H 8.812 . 1 394 129 129 ALA CA C 51.878 . 1 395 129 129 ALA CB C 18.311 . 1 396 129 129 ALA N N 121.817 . 1 397 130 130 GLN H H 8.236 . 1 398 130 130 GLN CA C 54.717 . 1 399 130 130 GLN CB C 32.652 . 1 400 130 130 GLN N N 118.730 . 1 401 131 131 ALA H H 9.129 . 1 402 131 131 ALA CA C 50.397 . 1 403 131 131 ALA CB C 23.217 . 1 404 131 131 ALA N N 120.674 . 1 405 132 132 VAL H H 8.934 . 1 406 132 132 VAL CA C 60.414 . 1 407 132 132 VAL CB C 33.296 . 1 408 132 132 VAL N N 121.346 . 1 409 133 133 VAL H H 8.932 . 1 410 133 133 VAL CA C 60.206 . 1 411 133 133 VAL CB C 33.216 . 1 412 133 133 VAL N N 124.397 . 1 413 134 134 LEU H H 8.101 . 1 414 134 134 LEU CA C 53.073 . 1 415 134 134 LEU CB C 43.688 . 1 416 134 134 LEU N N 127.066 . 1 417 135 135 VAL H H 8.095 . 1 418 135 135 VAL CA C 60.945 . 1 419 135 135 VAL CB C 43.703 . 1 420 135 135 VAL N N 125.485 . 1 421 136 136 LEU H H 8.240 . 1 422 136 136 LEU CA C 53.172 . 1 423 136 136 LEU CB C 42.575 . 1 424 136 136 LEU N N 127.031 . 1 425 137 137 GLU H H 7.964 . 1 426 137 137 GLU CA C 58.141 . 1 427 137 137 GLU CB C 30.618 . 1 428 137 137 GLU N N 124.003 . 1 stop_ save_