data_18280 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for CD81LEL ; _BMRB_accession_number 18280 _BMRB_flat_file_name bmr18280.str _Entry_type original _Submission_date 2012-02-20 _Accession_date 2012-02-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone assignment' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Berditchevski Fedor . . 2 Sridhar Pooja . . 3 Cocquerel Laurence A. . 4 Tews Birke . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 85 "13C chemical shifts" 257 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-18 original author . stop_ _Original_release_date 2013-02-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis of ligand interactions of the large extracellular domain of tetraspanin CD81.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22740401 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rajesh Sundaresan . . 2 Sridhar Pooja . . 3 Tews 'Birke Andrea' . . 4 Feneant Lucie . . 5 Cocquerel Laurence . . 6 Ward Douglas G. . 7 Berditchevski Fedor . . 8 Overduin Michael . . stop_ _Journal_abbreviation 'J. Virol.' _Journal_name_full 'Journal of virology' _Journal_volume 86 _Journal_issue 18 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9606 _Page_last 9616 _Year 2012 _Details . loop_ _Keyword CD81 'Hepatitis C E2 protein' NMR 'solution structure' Tetraspanin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CD81 LEL' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CD81 LEL' $CD81_large_extracellular_loop stop_ _System_molecular_weight 11000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CD81_large_extracellular_loop _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CD81_large_extracellular_loop _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Receptor for Hepatitis C virus E2 protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; GPLGSGFVNKDQIAKDVKQF YDQALQQAVVDDDANNAKAV VKTFHETLDCCGSSTLTALT TSVLKNNLCPSGSNIISNLF KEDCHQKIDDLFSGKLHHHH HH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 107 GLY 2 108 PRO 3 109 LEU 4 110 GLY 5 111 SER 6 112 GLY 7 113 PHE 8 114 VAL 9 115 ASN 10 116 LYS 11 117 ASP 12 118 GLN 13 119 ILE 14 120 ALA 15 121 LYS 16 122 ASP 17 123 VAL 18 124 LYS 19 125 GLN 20 126 PHE 21 127 TYR 22 128 ASP 23 129 GLN 24 130 ALA 25 131 LEU 26 132 GLN 27 133 GLN 28 134 ALA 29 135 VAL 30 136 VAL 31 137 ASP 32 138 ASP 33 139 ASP 34 140 ALA 35 141 ASN 36 142 ASN 37 143 ALA 38 144 LYS 39 145 ALA 40 146 VAL 41 147 VAL 42 148 LYS 43 149 THR 44 150 PHE 45 151 HIS 46 152 GLU 47 153 THR 48 154 LEU 49 155 ASP 50 156 CYS 51 157 CYS 52 158 GLY 53 159 SER 54 160 SER 55 161 THR 56 162 LEU 57 163 THR 58 164 ALA 59 165 LEU 60 166 THR 61 167 THR 62 168 SER 63 169 VAL 64 170 LEU 65 171 LYS 66 172 ASN 67 173 ASN 68 174 LEU 69 175 CYS 70 176 PRO 71 177 SER 72 178 GLY 73 179 SER 74 180 ASN 75 181 ILE 76 182 ILE 77 183 SER 78 184 ASN 79 185 LEU 80 186 PHE 81 187 LYS 82 188 GLU 83 189 ASP 84 190 CYS 85 191 HIS 86 192 GLN 87 193 LYS 88 194 ILE 89 195 ASP 90 196 ASP 91 197 LEU 92 198 PHE 93 199 SER 94 200 GLY 95 201 LYS 96 202 LEU 97 203 HIS 98 204 HIS 99 205 HIS 100 206 HIS 101 207 HIS 102 208 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 1G8Q "Crystal Structure Of Human Cd81 Extracellular Domain, A Receptor For Hepatitis C Virus" 87.25 90 100.00 100.00 1.72e-55 PDB 1IV5 "New Crystal Form Of Human Cd81 Large Extracellular Loop" 87.25 90 100.00 100.00 1.72e-55 PDB 3X0E "Crystal Structure Of The Ectodomain Of Human Cd81 Large Extracellular Loop (hcd81-lel)" 88.24 93 100.00 100.00 2.67e-56 GB AAA36663 "26-kDa cell surface protein TAPA-1 [Homo sapiens]" 90.20 236 98.91 100.00 3.85e-57 GB AAD11440 "CD81 [Pan troglodytes]" 90.20 236 98.91 100.00 3.85e-57 GB AAH02978 "CD81 molecule [Homo sapiens]" 90.20 236 98.91 100.00 3.85e-57 GB AAH93047 "CD81 molecule [Homo sapiens]" 90.20 236 98.91 100.00 3.85e-57 GB AAV38313 "CD81 antigen (target of antiproliferative antibody 1) [synthetic construct]" 90.20 237 98.91 100.00 3.72e-57 REF NP_001009023 "CD81 antigen [Pan troglodytes]" 90.20 236 98.91 100.00 3.85e-57 REF NP_001284578 "CD81 antigen isoform 2 [Homo sapiens]" 90.20 165 98.91 100.00 6.64e-58 REF NP_004347 "CD81 antigen isoform 1 [Homo sapiens]" 90.20 236 98.91 100.00 3.85e-57 REF XP_003282135 "PREDICTED: CD81 antigen isoform X1 [Nomascus leucogenys]" 90.20 229 98.91 100.00 3.36e-57 REF XP_004050511 "PREDICTED: CD81 antigen [Gorilla gorilla gorilla]" 90.20 280 98.91 100.00 2.65e-56 SP P60033 "RecName: Full=CD81 antigen; AltName: Full=26 kDa cell surface protein TAPA-1; AltName: Full=Target of the antiproliferative ant" 90.20 236 98.91 100.00 3.85e-57 SP P60034 "RecName: Full=CD81 antigen; AltName: Full=26 kDa cell surface protein TAPA-1; AltName: Full=Target of the antiproliferative ant" 90.20 236 98.91 100.00 3.85e-57 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CD81_large_extracellular_loop 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 $CD81_large_extracellular_loop 'recombinant technology' . Escherichia coli . pGEX 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 $CD81_large_extracellular_loop 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'AEBSF protease inhibitor' 50 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Analysis_CCPN _Saveframe_category software _Name Analysis_CCPN _Version 2.1 loop_ _Vendor _Address _Electronic_address Boucher . . CCPN . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 150 . mM pH 7.0 . 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 DSS C 13 'methyl carbon' ppm 0 external indirect . . . 1.0 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 nitrogen ppm 0 external indirect . . . 1.0 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 HNCA' 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 'CD81 LEL' _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 1 109 3 LEU H H 8.501 0.004 1 2 109 3 LEU C C 177.914 0.000 1 3 109 3 LEU CA C 55.423 0.026 1 4 109 3 LEU CB C 42.300 0.020 1 5 109 3 LEU N N 122.245 0.012 1 6 110 4 GLY H H 8.355 0.001 1 7 110 4 GLY C C 174.284 0.000 1 8 110 4 GLY CA C 45.392 0.002 1 9 110 4 GLY N N 109.783 0.003 1 10 111 5 SER H H 8.268 0.002 1 11 111 5 SER C C 174.982 0.000 1 12 111 5 SER CA C 58.577 0.005 1 13 111 5 SER CB C 63.971 0.002 1 14 111 5 SER N N 115.773 0.006 1 15 112 6 GLY H H 8.433 0.001 1 16 112 6 GLY C C 173.566 0.000 1 17 112 6 GLY CA C 45.339 0.053 1 18 112 6 GLY N N 110.662 0.006 1 19 113 7 PHE H H 8.003 0.006 1 20 113 7 PHE C C 175.947 0.000 1 21 113 7 PHE CA C 57.705 0.009 1 22 113 7 PHE CB C 40.021 0.016 1 23 113 7 PHE N N 120.314 0.161 1 24 114 8 VAL H H 8.605 0.004 1 25 114 8 VAL C C 175.231 0.000 1 26 114 8 VAL CA C 62.296 0.007 1 27 114 8 VAL CB C 33.037 0.011 1 28 114 8 VAL N N 123.712 0.008 1 29 115 9 ASN H H 8.747 0.005 1 30 115 9 ASN C C 175.210 0.000 1 31 115 9 ASN CA C 52.696 0.033 1 32 115 9 ASN CB C 39.845 0.017 1 33 115 9 ASN N N 124.399 0.126 1 34 116 10 LYS H H 8.738 0.004 1 35 116 10 LYS C C 175.241 0.000 1 36 116 10 LYS CA C 59.705 0.011 1 37 116 10 LYS CB C 32.202 0.031 1 38 116 10 LYS N N 124.449 0.032 1 39 117 11 ASP H H 8.134 0.005 1 40 117 11 ASP C C 178.648 0.000 1 41 117 11 ASP CA C 57.277 0.018 1 42 117 11 ASP CB C 40.345 0.023 1 43 117 11 ASP N N 117.514 0.016 1 44 118 12 GLN H H 7.705 0.007 1 45 118 12 GLN C C 177.103 0.000 1 46 118 12 GLN CA C 58.057 0.016 1 47 118 12 GLN CB C 28.657 0.026 1 48 118 12 GLN N N 120.452 0.015 1 49 119 13 ILE H H 7.698 0.000 1 50 119 13 ILE C C 176.903 0.000 1 51 119 13 ILE CA C 62.304 0.008 1 52 119 13 ILE CB C 37.527 0.008 1 53 119 13 ILE N N 118.704 0.009 1 54 120 14 ALA H H 7.671 0.002 1 55 120 14 ALA C C 179.329 0.000 1 56 120 14 ALA CA C 55.661 0.019 1 57 120 14 ALA CB C 17.778 0.038 1 58 120 14 ALA N N 122.292 0.004 1 59 121 15 LYS H H 7.304 0.001 1 60 121 15 LYS C C 179.153 0.000 1 61 121 15 LYS CA C 60.182 0.014 1 62 121 15 LYS CB C 32.171 0.033 1 63 121 15 LYS N N 117.450 0.021 1 64 122 16 ASP H H 8.282 0.001 1 65 122 16 ASP C C 179.095 0.000 1 66 122 16 ASP CA C 57.677 0.012 1 67 122 16 ASP CB C 40.275 0.062 1 68 122 16 ASP N N 121.883 0.006 1 69 123 17 VAL H H 8.651 0.001 1 70 123 17 VAL C C 177.874 0.000 1 71 123 17 VAL CA C 67.678 0.010 1 72 123 17 VAL CB C 30.936 0.027 1 73 123 17 VAL N N 121.497 0.006 1 74 124 18 LYS H H 8.316 0.002 1 75 124 18 LYS C C 177.874 0.000 1 76 124 18 LYS CA C 61.313 0.001 1 77 124 18 LYS CB C 32.374 0.000 1 78 124 18 LYS N N 120.690 0.023 1 79 125 19 GLN H H 8.038 0.002 1 80 125 19 GLN C C 177.977 0.000 1 81 125 19 GLN CA C 59.021 0.012 1 82 125 19 GLN CB C 28.307 0.028 1 83 125 19 GLN N N 117.843 0.008 1 84 126 20 PHE H H 8.536 0.003 1 85 126 20 PHE C C 176.889 0.000 1 86 126 20 PHE CA C 62.064 0.008 1 87 126 20 PHE CB C 39.494 0.062 1 88 126 20 PHE N N 121.721 0.013 1 89 127 21 TYR H H 8.623 0.001 1 90 127 21 TYR C C 175.519 0.000 1 91 127 21 TYR CA C 62.265 0.014 1 92 127 21 TYR CB C 37.769 0.008 1 93 127 21 TYR N N 120.992 0.008 1 94 128 22 ASP H H 8.528 0.004 1 95 128 22 ASP C C 179.376 0.000 1 96 128 22 ASP CA C 57.277 0.020 1 97 128 22 ASP CB C 40.170 0.023 1 98 128 22 ASP N N 120.504 0.010 1 99 129 23 GLN H H 8.161 0.001 1 100 129 23 GLN C C 178.396 0.000 1 101 129 23 GLN CA C 58.669 0.016 1 102 129 23 GLN CB C 28.273 0.013 1 103 129 23 GLN N N 119.046 0.008 1 104 130 24 ALA H H 7.624 0.003 1 105 130 24 ALA C C 178.735 0.000 1 106 130 24 ALA CA C 54.740 0.015 1 107 130 24 ALA CB C 17.006 0.017 1 108 130 24 ALA N N 123.475 0.010 1 109 131 25 LEU H H 8.537 0.002 1 110 131 25 LEU C C 178.061 0.000 1 111 131 25 LEU CA C 58.340 0.022 1 112 131 25 LEU CB C 41.409 0.060 1 113 131 25 LEU N N 120.263 0.005 1 114 132 26 GLN H H 7.675 0.002 1 115 132 26 GLN C C 178.526 0.000 1 116 132 26 GLN CA C 59.215 0.017 1 117 132 26 GLN CB C 29.412 0.001 1 118 132 26 GLN N N 113.656 0.015 1 119 133 27 GLN H H 7.454 0.002 1 120 133 27 GLN C C 177.838 0.000 1 121 133 27 GLN CA C 58.146 0.022 1 122 133 27 GLN CB C 29.131 0.077 1 123 133 27 GLN N N 116.525 0.004 1 124 134 28 ALA H H 8.618 0.001 1 125 134 28 ALA C C 178.765 0.000 1 126 134 28 ALA CA C 54.667 0.025 1 127 134 28 ALA CB C 19.579 0.024 1 128 134 28 ALA N N 120.508 0.009 1 129 135 29 VAL H H 7.251 0.002 1 130 135 29 VAL C C 176.482 0.000 1 131 135 29 VAL CA C 62.617 0.008 1 132 135 29 VAL CB C 31.597 0.076 1 133 135 29 VAL N N 106.960 0.025 1 134 136 30 VAL H H 7.311 0.001 1 135 136 30 VAL C C 175.697 0.000 1 136 136 30 VAL CA C 62.578 0.000 1 137 136 30 VAL CB C 32.532 0.001 1 138 136 30 VAL N N 117.619 0.033 1 139 137 31 ASP H H 8.008 0.001 1 140 137 31 ASP C C 175.767 0.000 1 141 137 31 ASP CA C 54.599 0.017 1 142 137 31 ASP CB C 41.194 0.019 1 143 137 31 ASP N N 120.726 0.008 1 144 138 32 ASP H H 8.286 0.001 1 145 138 32 ASP C C 176.143 0.000 1 146 138 32 ASP CA C 54.545 0.017 1 147 138 32 ASP CB C 41.207 0.000 1 148 138 32 ASP N N 120.661 0.008 1 149 139 33 ASP H H 8.415 0.001 1 150 139 33 ASP C C 176.823 0.000 1 151 139 33 ASP CA C 54.451 0.000 1 152 139 33 ASP CB C 41.504 0.011 1 153 139 33 ASP N N 121.247 0.007 1 154 140 34 ALA H H 8.145 0.001 1 155 140 34 ALA C C 177.503 0.000 1 156 140 34 ALA CA C 52.871 0.004 1 157 140 34 ALA CB C 18.566 0.041 1 158 140 34 ALA N N 124.808 0.003 1 159 141 35 ASN H H 8.276 0.004 1 160 141 35 ASN CA C 54.322 0.000 1 161 141 35 ASN CB C 39.233 0.000 1 162 141 35 ASN N N 117.417 0.021 1 163 142 36 ASN C C 176.100 0.000 1 164 142 36 ASN CA C 55.236 0.000 1 165 142 36 ASN CB C 38.484 0.000 1 166 143 37 ALA H H 8.231 0.001 1 167 143 37 ALA C C 179.804 0.000 1 168 143 37 ALA CA C 56.075 0.016 1 169 143 37 ALA CB C 18.653 0.007 1 170 143 37 ALA N N 122.336 0.007 1 171 144 38 LYS H H 8.496 0.001 1 172 144 38 LYS C C 177.899 0.000 1 173 144 38 LYS CA C 61.109 0.012 1 174 144 38 LYS CB C 32.715 0.017 1 175 144 38 LYS N N 115.944 0.004 1 176 145 39 ALA H H 7.733 0.001 1 177 145 39 ALA C C 181.234 0.000 1 178 145 39 ALA CA C 55.338 0.008 1 179 145 39 ALA CB C 18.124 0.055 1 180 145 39 ALA N N 121.104 0.012 1 181 146 40 VAL H H 8.234 0.001 1 182 146 40 VAL C C 178.077 0.000 1 183 146 40 VAL CA C 67.674 0.011 1 184 146 40 VAL CB C 32.227 0.000 1 185 146 40 VAL N N 120.773 0.010 1 186 147 41 VAL H H 8.445 0.005 1 187 147 41 VAL C C 177.081 0.000 1 188 147 41 VAL CA C 67.416 0.003 1 189 147 41 VAL CB C 30.774 0.000 1 190 147 41 VAL N N 117.380 0.006 1 191 148 42 LYS H H 8.329 0.004 1 192 148 42 LYS C C 179.068 0.000 1 193 148 42 LYS CA C 60.761 0.001 1 194 148 42 LYS CB C 32.411 0.015 1 195 148 42 LYS N N 119.164 0.012 1 196 149 43 THR H H 8.157 0.002 1 197 149 43 THR C C 178.054 0.000 1 198 149 43 THR CA C 67.528 0.008 1 199 149 43 THR CB C 68.262 0.000 1 200 149 43 THR N N 115.947 0.015 1 201 150 44 PHE H H 9.020 0.002 1 202 150 44 PHE C C 177.413 0.000 1 203 150 44 PHE CA C 63.994 0.010 1 204 150 44 PHE CB C 39.531 0.067 1 205 150 44 PHE N N 126.802 0.008 1 206 151 45 HIS H H 9.047 0.003 1 207 151 45 HIS C C 178.774 0.000 1 208 151 45 HIS CA C 57.741 0.016 1 209 151 45 HIS CB C 29.726 0.002 1 210 151 45 HIS N N 117.467 0.013 1 211 152 46 GLU H H 8.542 0.012 1 212 152 46 GLU C C 178.745 0.000 1 213 152 46 GLU CA C 58.733 0.003 1 214 152 46 GLU CB C 30.412 0.029 1 215 152 46 GLU N N 116.129 0.034 1 216 153 47 THR H H 8.256 0.004 1 217 153 47 THR C C 175.258 0.000 1 218 153 47 THR CA C 66.612 0.002 1 219 153 47 THR CB C 68.888 0.035 1 220 153 47 THR N N 115.402 0.012 1 221 154 48 LEU H H 8.174 0.010 1 222 154 48 LEU C C 175.503 0.000 1 223 154 48 LEU CA C 54.610 0.026 1 224 154 48 LEU CB C 41.669 0.007 1 225 154 48 LEU N N 116.915 0.042 1 226 155 49 ASP H H 7.402 0.006 1 227 155 49 ASP C C 173.404 0.000 1 228 155 49 ASP CA C 54.532 0.026 1 229 155 49 ASP CB C 38.766 0.023 1 230 155 49 ASP N N 117.963 0.053 1 231 156 50 CYS H H 8.521 0.005 1 232 156 50 CYS C C 170.659 0.000 1 233 156 50 CYS CA C 54.853 0.008 1 234 156 50 CYS CB C 49.761 0.000 1 235 156 50 CYS N N 114.773 0.036 1 236 157 51 CYS H H 8.654 0.003 1 237 157 51 CYS C C 172.660 0.000 1 238 157 51 CYS CA C 55.935 0.030 1 239 157 51 CYS CB C 40.959 0.000 1 240 157 51 CYS N N 116.518 0.030 1 241 158 52 GLY H H 7.001 0.006 1 242 158 52 GLY CA C 44.516 0.000 1 243 158 52 GLY N N 114.633 0.009 1 244 160 54 SER C C 175.944 0.000 1 245 160 54 SER CA C 60.468 0.000 1 246 160 54 SER CB C 62.857 0.000 1 247 161 55 THR H H 7.667 0.002 1 248 161 55 THR C C 175.980 0.000 1 249 161 55 THR CA C 62.936 0.007 1 250 161 55 THR CB C 68.485 0.004 1 251 161 55 THR N N 112.290 0.006 1 252 162 56 LEU H H 7.364 0.008 1 253 162 56 LEU C C 178.395 0.000 1 254 162 56 LEU CA C 53.420 0.030 1 255 162 56 LEU CB C 41.266 0.078 1 256 162 56 LEU N N 124.206 0.014 1 257 163 57 THR H H 7.628 0.011 1 258 163 57 THR C C 176.868 0.000 1 259 163 57 THR CA C 64.872 0.003 1 260 163 57 THR CB C 68.895 0.016 1 261 163 57 THR N N 115.626 0.042 1 262 164 58 ALA H H 8.720 0.004 1 263 164 58 ALA C C 179.029 0.000 1 264 164 58 ALA CA C 54.272 0.030 1 265 164 58 ALA CB C 18.360 0.005 1 266 164 58 ALA N N 123.507 0.022 1 267 165 59 LEU H H 7.876 0.011 1 268 165 59 LEU C C 177.809 0.000 1 269 165 59 LEU CA C 55.228 0.003 1 270 165 59 LEU CB C 42.021 0.034 1 271 165 59 LEU N N 115.463 0.020 1 272 166 60 THR H H 7.749 0.011 1 273 166 60 THR C C 175.472 0.000 1 274 166 60 THR CA C 67.185 0.036 1 275 166 60 THR N N 116.290 0.012 1 276 167 61 THR H H 8.413 0.005 1 277 167 61 THR C C 176.584 0.000 1 278 167 61 THR CA C 66.473 0.001 1 279 167 61 THR CB C 68.426 0.017 1 280 167 61 THR N N 114.806 0.062 1 281 168 62 SER H H 7.947 0.003 1 282 168 62 SER C C 176.560 0.000 1 283 168 62 SER CA C 61.910 0.004 1 284 168 62 SER CB C 63.114 0.007 1 285 168 62 SER N N 118.374 0.015 1 286 169 63 VAL H H 8.315 0.003 1 287 169 63 VAL C C 177.687 0.000 1 288 169 63 VAL CA C 66.632 0.005 1 289 169 63 VAL CB C 31.687 0.000 1 290 169 63 VAL N N 123.930 0.027 1 291 170 64 LEU H H 7.956 0.003 1 292 170 64 LEU C C 181.205 0.000 1 293 170 64 LEU CA C 57.572 0.008 1 294 170 64 LEU CB C 41.624 0.000 1 295 170 64 LEU N N 119.646 0.019 1 296 171 65 LYS H H 8.292 0.005 1 297 171 65 LYS C C 177.410 0.000 1 298 171 65 LYS CA C 58.956 0.005 1 299 171 65 LYS CB C 32.491 0.034 1 300 171 65 LYS N N 120.957 0.008 1 301 172 66 ASN H H 7.577 0.002 1 302 172 66 ASN C C 173.829 0.000 1 303 172 66 ASN CA C 53.931 0.006 1 304 172 66 ASN CB C 39.156 0.007 1 305 172 66 ASN N N 114.352 0.009 1 306 173 67 ASN H H 8.103 0.002 1 307 173 67 ASN C C 175.538 0.000 1 308 173 67 ASN CA C 54.495 0.030 1 309 173 67 ASN CB C 37.119 0.004 1 310 173 67 ASN N N 115.263 0.004 1 311 174 68 LEU H H 7.604 0.001 1 312 174 68 LEU C C 177.523 0.000 1 313 174 68 LEU CA C 55.334 0.012 1 314 174 68 LEU CB C 42.335 0.007 1 315 174 68 LEU N N 112.572 0.009 1 316 175 69 CYS H H 8.649 0.008 1 317 175 69 CYS CA C 52.643 0.000 1 318 175 69 CYS CB C 39.678 0.000 1 319 175 69 CYS N N 119.194 0.022 1 320 176 70 PRO C C 177.028 0.000 1 321 176 70 PRO CA C 63.950 0.000 1 322 176 70 PRO CB C 32.111 0.000 1 323 177 71 SER H H 8.616 0.001 1 324 177 71 SER C C 175.144 0.000 1 325 177 71 SER CA C 58.808 0.013 1 326 177 71 SER CB C 63.562 0.000 1 327 177 71 SER N N 116.160 0.005 1 328 178 72 GLY H H 8.320 0.001 1 329 178 72 GLY C C 174.326 0.000 1 330 178 72 GLY CA C 45.413 0.026 1 331 178 72 GLY N N 110.811 0.007 1 332 179 73 SER H H 8.234 0.003 1 333 179 73 SER C C 174.354 0.000 1 334 179 73 SER CA C 58.955 0.010 1 335 179 73 SER CB C 63.813 0.009 1 336 179 73 SER N N 115.745 0.005 1 337 180 74 ASN H H 8.493 0.001 1 338 180 74 ASN C C 174.805 0.000 1 339 180 74 ASN CA C 53.677 0.035 1 340 180 74 ASN CB C 38.680 0.024 1 341 180 74 ASN N N 119.652 0.003 1 342 181 75 ILE H H 7.876 0.000 1 343 181 75 ILE C C 176.429 0.000 1 344 181 75 ILE CA C 61.453 0.005 1 345 181 75 ILE CB C 38.628 0.000 1 346 181 75 ILE N N 119.498 0.002 1 347 182 76 ILE H H 8.096 0.001 1 348 182 76 ILE C C 176.572 0.000 1 349 182 76 ILE CA C 61.953 0.009 1 350 182 76 ILE CB C 38.346 0.000 1 351 182 76 ILE N N 123.527 0.007 1 352 183 77 SER H H 8.109 0.002 1 353 183 77 SER C C 174.648 0.000 1 354 183 77 SER CA C 59.046 0.010 1 355 183 77 SER CB C 63.572 0.022 1 356 183 77 SER N N 117.596 0.020 1 357 184 78 ASN H H 8.206 0.004 1 358 184 78 ASN C C 175.216 0.000 1 359 184 78 ASN CA C 53.596 0.017 1 360 184 78 ASN CB C 38.566 0.021 1 361 184 78 ASN N N 119.274 0.007 1 362 185 79 LEU H H 7.871 0.001 1 363 185 79 LEU C C 177.265 0.000 1 364 185 79 LEU CA C 56.030 0.024 1 365 185 79 LEU CB C 42.318 0.012 1 366 185 79 LEU N N 121.089 0.007 1 367 186 80 PHE H H 7.996 0.001 1 368 186 80 PHE C C 175.687 0.000 1 369 186 80 PHE CA C 57.915 0.019 1 370 186 80 PHE CB C 38.693 0.044 1 371 186 80 PHE N N 119.169 0.023 1 372 187 81 LYS H H 7.733 0.005 1 373 187 81 LYS CA C 56.215 0.000 1 374 187 81 LYS CB C 33.443 0.000 1 375 187 81 LYS N N 121.788 0.031 1 376 193 87 LYS C C 178.806 0.000 1 377 193 87 LYS CA C 57.359 0.000 1 378 193 87 LYS CB C 32.152 0.000 1 379 194 88 ILE H H 8.257 0.003 1 380 194 88 ILE C C 177.362 0.000 1 381 194 88 ILE CA C 66.338 0.001 1 382 194 88 ILE CB C 38.041 0.008 1 383 194 88 ILE N N 120.544 0.006 1 384 195 89 ASP H H 7.962 0.003 1 385 195 89 ASP C C 179.895 0.000 1 386 195 89 ASP CA C 58.473 0.018 1 387 195 89 ASP CB C 40.147 0.025 1 388 195 89 ASP N N 120.444 0.006 1 389 196 90 ASP H H 8.589 0.002 1 390 196 90 ASP C C 178.260 0.000 1 391 196 90 ASP CA C 57.385 0.031 1 392 196 90 ASP CB C 39.965 0.001 1 393 196 90 ASP N N 121.085 0.010 1 394 197 91 LEU H H 8.205 0.003 1 395 197 91 LEU C C 177.320 0.000 1 396 197 91 LEU CA C 58.521 0.019 1 397 197 91 LEU CB C 41.224 0.012 1 398 197 91 LEU N N 124.544 0.008 1 399 198 92 PHE H H 7.402 0.002 1 400 198 92 PHE C C 175.819 0.000 1 401 198 92 PHE CA C 62.363 0.006 1 402 198 92 PHE CB C 39.260 0.017 1 403 198 92 PHE N N 111.751 0.030 1 404 199 93 SER H H 8.071 0.001 1 405 199 93 SER C C 175.238 0.000 1 406 199 93 SER CA C 58.603 0.007 1 407 199 93 SER CB C 64.219 0.022 1 408 199 93 SER N N 110.471 0.006 1 409 200 94 GLY H H 7.992 0.002 1 410 200 94 GLY C C 173.806 0.000 1 411 200 94 GLY CA C 47.046 0.020 1 412 200 94 GLY N N 110.303 0.011 1 413 201 95 LYS H H 8.353 0.002 1 414 201 95 LYS C C 175.744 0.000 1 415 201 95 LYS CA C 55.646 0.000 1 416 201 95 LYS CB C 33.778 0.007 1 417 201 95 LYS N N 116.832 0.009 1 418 202 96 LEU H H 6.971 0.009 1 419 202 96 LEU C C 175.744 0.000 1 420 202 96 LEU CA C 55.660 0.031 1 421 202 96 LEU CB C 42.815 0.000 1 422 202 96 LEU N N 120.865 0.008 1 423 203 97 HIS H H 8.366 0.009 1 424 203 97 HIS C C 175.458 0.000 1 425 203 97 HIS CA C 55.423 0.000 1 426 203 97 HIS CB C 30.812 0.000 1 427 203 97 HIS N N 122.022 0.044 1 stop_ save_