data_25466 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; BCL-XL ; _BMRB_accession_number 25466 _BMRB_flat_file_name bmr25466.str _Entry_type original _Submission_date 2015-02-04 _Accession_date 2015-02-04 _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 Yao Yong . . 2 Marassi Francesca . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 150 "13C chemical shifts" 295 "15N chemical shifts" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-02 original BMRB . stop_ _Original_release_date 2015-02-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformation of BCL-XL upon Membrane Integration. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25731750 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yao Yong . . 2 Fujimoto Lynn M. . 3 Hirshman Nathan . . 4 Bobkov Andrey A. . 5 Antignani Antonella . . 6 Youle Richard J. . 7 Marassi Francesca M. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 427 _Journal_issue 13 _Journal_ISSN 1089-8638 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2262 _Page_last 2270 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name BCL-XL _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BCL-XL $BCL-XL 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_BCL-XL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BCL-XL _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 205 _Mol_residue_sequence ; MAHHHHHHGSPEFMSQSNRE LVVDFLSYKLSQKGYSWSQF SDVEENRTEAPEGTESAVKQ ALREAGDEFELRYRRAFSDL TSQLHITPGTAYQSFEQVVN ELFRDGVNWGRIVAFFSFGG ALCVESVDKEMQVLVSRIAA WMATYLNDHLEPWIQENGGW DTFVELYGNNAAAESRKGQE RFNRWFLTGMTVAGVVLLGS LFSRK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -12 MET 2 -11 ALA 3 -10 HIS 4 -9 HIS 5 -8 HIS 6 -7 HIS 7 -6 HIS 8 -5 HIS 9 -4 GLY 10 -3 SER 11 -2 PRO 12 -1 GLU 13 0 PHE 14 1 MET 15 2 SER 16 3 GLN 17 4 SER 18 5 ASN 19 6 ARG 20 7 GLU 21 8 LEU 22 9 VAL 23 10 VAL 24 11 ASP 25 12 PHE 26 13 LEU 27 14 SER 28 15 TYR 29 16 LYS 30 17 LEU 31 18 SER 32 19 GLN 33 20 LYS 34 21 GLY 35 22 TYR 36 23 SER 37 24 TRP 38 25 SER 39 26 GLN 40 27 PHE 41 28 SER 42 29 ASP 43 30 VAL 44 31 GLU 45 32 GLU 46 33 ASN 47 34 ARG 48 35 THR 49 36 GLU 50 37 ALA 51 38 PRO 52 39 GLU 53 40 GLY 54 41 THR 55 42 GLU 56 43 SER 57 44 ALA 58 45 VAL 59 46 LYS 60 47 GLN 61 48 ALA 62 49 LEU 63 50 ARG 64 51 GLU 65 52 ALA 66 53 GLY 67 54 ASP 68 55 GLU 69 56 PHE 70 57 GLU 71 58 LEU 72 59 ARG 73 60 TYR 74 61 ARG 75 62 ARG 76 63 ALA 77 64 PHE 78 65 SER 79 66 ASP 80 67 LEU 81 68 THR 82 69 SER 83 70 GLN 84 71 LEU 85 72 HIS 86 73 ILE 87 74 THR 88 75 PRO 89 76 GLY 90 77 THR 91 78 ALA 92 79 TYR 93 80 GLN 94 81 SER 95 82 PHE 96 83 GLU 97 84 GLN 98 85 VAL 99 86 VAL 100 87 ASN 101 88 GLU 102 89 LEU 103 90 PHE 104 91 ARG 105 92 ASP 106 93 GLY 107 94 VAL 108 95 ASN 109 96 TRP 110 97 GLY 111 98 ARG 112 99 ILE 113 100 VAL 114 101 ALA 115 102 PHE 116 103 PHE 117 104 SER 118 105 PHE 119 106 GLY 120 107 GLY 121 108 ALA 122 109 LEU 123 110 CYS 124 111 VAL 125 112 GLU 126 113 SER 127 114 VAL 128 115 ASP 129 116 LYS 130 117 GLU 131 118 MET 132 119 GLN 133 120 VAL 134 121 LEU 135 122 VAL 136 123 SER 137 124 ARG 138 125 ILE 139 126 ALA 140 127 ALA 141 128 TRP 142 129 MET 143 130 ALA 144 131 THR 145 132 TYR 146 133 LEU 147 134 ASN 148 135 ASP 149 136 HIS 150 137 LEU 151 138 GLU 152 139 PRO 153 140 TRP 154 141 ILE 155 142 GLN 156 143 GLU 157 144 ASN 158 145 GLY 159 146 GLY 160 147 TRP 161 148 ASP 162 149 THR 163 150 PHE 164 151 VAL 165 152 GLU 166 153 LEU 167 154 TYR 168 155 GLY 169 156 ASN 170 157 ASN 171 158 ALA 172 159 ALA 173 160 ALA 174 161 GLU 175 162 SER 176 163 ARG 177 164 LYS 178 165 GLY 179 166 GLN 180 167 GLU 181 168 ARG 182 169 PHE 183 170 ASN 184 171 ARG 185 172 TRP 186 173 PHE 187 174 LEU 188 175 THR 189 176 GLY 190 177 MET 191 178 THR 192 179 VAL 193 180 ALA 194 181 GLY 195 182 VAL 196 183 VAL 197 184 LEU 198 185 LEU 199 186 GLY 200 187 SER 201 188 LEU 202 189 PHE 203 190 SER 204 191 ARG 205 192 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BCL-XL 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 $BCL-XL 'recombinant technology' . Escherichia coli . pETshin 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 $BCL-XL 0.1 mM '[U-99% 13C; U-99% 15N]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 0.025 . M pH 6.8 . pH pressure 1 . atm temperature 273 . 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 protons' ppm 0 external indirect . . . 0.25144952 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.10132905 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' '3D HNCACB' 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 BCL-XL _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 1 14 MET H H 8.1400 . 1 2 1 14 MET CA C 56.6500 . 1 3 1 14 MET CB C 32.8700 . 1 4 1 14 MET N N 121.0890 . 1 5 2 15 SER H H 8.2200 . 1 6 2 15 SER CA C 59.6400 . 1 7 2 15 SER CB C 63.4800 . 1 8 2 15 SER N N 116.0950 . 1 9 4 17 SER H H 8.3370 . 1 10 4 17 SER CA C 60.3900 . 1 11 4 17 SER CB C 63.3800 . 1 12 4 17 SER N N 116.7840 . 1 13 5 18 ASN H H 8.5290 . 1 14 5 18 ASN CA C 55.5900 . 1 15 5 18 ASN CB C 38.3100 . 1 16 5 18 ASN N N 120.6850 . 1 17 6 19 ARG H H 8.0570 . 1 18 6 19 ARG CA C 60.3900 . 1 19 6 19 ARG CB C 29.5600 . 1 20 6 19 ARG N N 119.9840 . 1 21 7 20 GLU H H 7.9980 . 1 22 7 20 GLU CA C 59.6400 . 1 23 7 20 GLU CB C 29.5600 . 1 24 7 20 GLU N N 117.7530 . 1 25 8 21 LEU H H 7.7640 . 1 26 8 21 LEU CA C 58.4700 . 1 27 8 21 LEU CB C 41.9300 . 1 28 8 21 LEU N N 120.0000 . 1 29 9 22 VAL H H 7.6690 . 1 30 9 22 VAL CA C 67.7500 . 1 31 9 22 VAL CB C 32.2300 . 1 32 9 22 VAL N N 117.5460 . 1 33 10 23 VAL H H 8.3180 . 1 34 10 23 VAL CA C 67.3200 . 1 35 10 23 VAL CB C 31.2700 . 1 36 10 23 VAL N N 117.2610 . 1 37 11 24 ASP H H 8.1530 . 1 38 11 24 ASP CA C 59.0000 . 1 39 11 24 ASP CB C 43.5300 . 1 40 11 24 ASP N N 120.8860 . 1 41 12 25 PHE H H 8.2460 . 1 42 12 25 PHE CA C 63.2700 . 1 43 12 25 PHE CB C 39.9100 . 1 44 12 25 PHE N N 120.0090 . 1 45 13 26 LEU H H 8.8220 . 1 46 13 26 LEU CA C 58.5800 . 1 47 13 26 LEU CB C 41.8300 . 1 48 13 26 LEU N N 116.9000 . 1 49 14 27 SER H H 8.5540 . 1 50 14 27 SER CA C 62.7400 . 1 51 14 27 SER N N 114.1660 . 1 52 15 28 TYR H H 8.2480 . 1 53 15 28 TYR CA C 60.6000 . 1 54 15 28 TYR CB C 37.8800 . 1 55 15 28 TYR N N 124.9410 . 1 56 16 29 LYS H H 8.2560 . 1 57 16 29 LYS CA C 57.1900 . 1 58 16 29 LYS CB C 29.8800 . 1 59 16 29 LYS N N 119.9640 . 1 60 17 30 LEU H H 8.6770 . 1 61 17 30 LEU CA C 58.6800 . 1 62 17 30 LEU CB C 41.1900 . 1 63 17 30 LEU N N 118.5680 . 1 64 18 31 SER H H 8.3860 . 1 65 18 31 SER CA C 61.6700 . 1 66 18 31 SER CB C 62.8400 . 1 67 18 31 SER N N 117.6250 . 1 68 19 32 GLN H H 7.6990 . 1 69 19 32 GLN CA C 58.6800 . 1 70 19 32 GLN CB C 28.8100 . 1 71 19 32 GLN N N 122.7610 . 1 72 20 33 LYS H H 7.2770 . 1 73 20 33 LYS CA C 54.3100 . 1 74 20 33 LYS CB C 32.5500 . 1 75 20 33 LYS N N 116.4680 . 1 76 21 34 GLY H H 7.6150 . 1 77 21 34 GLY CA C 45.3500 . 1 78 21 34 GLY N N 105.5390 . 1 79 22 35 TYR H H 7.8650 . 1 80 22 35 TYR CA C 56.0100 . 1 81 22 35 TYR CB C 40.8700 . 1 82 22 35 TYR N N 119.7950 . 1 83 23 36 SER H H 8.4780 . 1 84 23 36 SER CA C 56.9700 . 1 85 23 36 SER CB C 64.7600 . 1 86 23 36 SER N N 115.3000 . 1 87 24 37 TRP H H 8.9460 . 1 88 24 37 TRP CA C 59.9600 . 1 89 24 37 TRP CB C 30.5200 . 1 90 24 37 TRP N N 127.3400 . 1 91 25 38 SER H H 8.1370 . 1 92 25 38 SER CA C 60.1800 . 1 93 25 38 SER CB C 63.0600 . 1 94 25 38 SER N N 111.9940 . 1 95 26 39 GLN H H 7.4410 . 1 96 26 39 GLN CA C 57.1900 . 1 97 26 39 GLN CB C 28.7100 . 1 98 26 39 GLN N N 119.3450 . 1 99 27 40 PHE H H 7.3690 . 1 100 27 40 PHE CA C 56.9700 . 1 101 27 40 PHE CB C 39.8000 . 1 102 27 40 PHE N N 116.5930 . 1 103 28 41 SER H H 7.3480 . 1 104 28 41 SER CA C 57.7200 . 1 105 28 41 SER CB C 64.1200 . 1 106 28 41 SER N N 114.0070 . 1 107 29 42 ASP H H 8.3110 . 1 108 29 42 ASP CA C 54.6300 . 1 109 29 42 ASP CB C 40.9700 . 1 110 29 42 ASP N N 122.4150 . 1 111 30 43 VAL H H 7.8770 . 1 112 30 43 VAL CA C 62.3100 . 1 113 30 43 VAL CB C 32.9700 . 1 114 30 43 VAL N N 118.5500 . 1 115 31 44 GLU H H 8.4170 . 1 116 31 44 GLU CA C 56.9700 . 1 117 31 44 GLU CB C 30.3100 . 1 118 31 44 GLU N N 124.2960 . 1 119 32 45 GLU H H 8.3410 . 1 120 32 45 GLU CA C 56.8700 . 1 121 32 45 GLU CB C 30.6300 . 1 122 32 45 GLU N N 121.9130 . 1 123 33 46 ASN H H 8.4190 . 1 124 33 46 ASN CA C 53.4500 . 1 125 33 46 ASN CB C 38.7300 . 1 126 33 46 ASN N N 119.6880 . 1 127 34 47 ARG H H 8.2380 . 1 128 34 47 ARG CA C 56.3300 . 1 129 34 47 ARG CB C 30.8400 . 1 130 34 47 ARG N N 121.8570 . 1 131 35 48 THR H H 8.1880 . 1 132 35 48 THR CA C 62.2000 . 1 133 35 48 THR CB C 69.8800 . 1 134 35 48 THR N N 115.6740 . 1 135 36 49 GLU H H 8.3220 . 1 136 36 49 GLU CA C 56.5500 . 1 137 36 49 GLU CB C 30.4100 . 1 138 36 49 GLU N N 123.0990 . 1 139 37 50 ALA H H 8.2170 . 1 140 37 50 ALA CA C 50.4700 . 1 141 37 50 ALA CB C 18.3600 . 1 142 37 50 ALA N N 125.9930 . 1 143 38 51 PRO CA C 63.3800 . 1 144 38 51 PRO CB C 31.8000 . 1 145 39 52 GLU H H 8.5360 . 1 146 39 52 GLU CA C 57.0800 . 1 147 39 52 GLU CB C 30.3100 . 1 148 39 52 GLU N N 120.5630 . 1 149 40 53 GLY H H 8.4270 . 1 150 40 53 GLY CA C 45.6700 . 1 151 40 53 GLY N N 109.9050 . 1 152 41 54 THR H H 8.1230 . 1 153 41 54 THR CA C 62.6300 . 1 154 41 54 THR CB C 69.7800 . 1 155 41 54 THR N N 114.1880 . 1 156 42 55 GLU H H 8.6560 . 1 157 42 55 GLU CA C 57.6100 . 1 158 42 55 GLU CB C 29.5600 . 1 159 42 55 GLU N N 123.0960 . 1 160 43 56 SER H H 8.1320 . 1 161 43 56 SER CA C 59.3200 . 1 162 43 56 SER CB C 64.1200 . 1 163 43 56 SER N N 116.1430 . 1 164 44 57 ALA CA C 55.0500 . 1 165 44 57 ALA CB C 18.6800 . 1 166 45 58 VAL H H 7.7660 . 1 167 45 58 VAL CA C 66.1500 . 1 168 45 58 VAL CB C 31.8000 . 1 169 45 58 VAL N N 118.1300 . 1 170 46 59 LYS H H 7.2570 . 1 171 46 59 LYS CA C 59.9600 . 1 172 46 59 LYS CB C 32.4400 . 1 173 46 59 LYS N N 117.9720 . 1 174 47 60 GLN H H 7.7930 . 1 175 47 60 GLN CA C 59.1100 . 1 176 47 60 GLN CB C 28.1700 . 1 177 47 60 GLN N N 116.2040 . 1 178 48 61 ALA H H 7.8660 . 1 179 48 61 ALA CA C 55.1600 . 1 180 48 61 ALA CB C 18.5700 . 1 181 48 61 ALA N N 120.2680 . 1 182 49 62 LEU H H 8.4190 . 1 183 49 62 LEU CA C 58.5800 . 1 184 49 62 LEU CB C 42.1500 . 1 185 49 62 LEU N N 119.6880 . 1 186 50 63 ARG H H 8.0410 . 1 187 50 63 ARG CA C 60.7100 . 1 188 50 63 ARG CB C 30.7300 . 1 189 50 63 ARG N N 118.2730 . 1 190 51 64 GLU H H 7.8340 . 1 191 51 64 GLU CA C 59.5400 . 1 192 51 64 GLU CB C 29.6700 . 1 193 51 64 GLU N N 116.5410 . 1 194 52 65 ALA H H 8.9620 . 1 195 52 65 ALA CA C 55.3700 . 1 196 52 65 ALA CB C 19.0000 . 1 197 52 65 ALA N N 123.3290 . 1 198 53 66 GLY H H 9.0840 . 1 199 53 66 GLY CA C 47.3700 . 1 200 53 66 GLY N N 107.1580 . 1 201 54 67 ASP H H 8.2100 . 1 202 54 67 ASP CA C 57.9400 . 1 203 54 67 ASP CB C 39.9100 . 1 204 54 67 ASP N N 122.7550 . 1 205 55 68 GLU H H 8.2760 . 1 206 55 68 GLU CA C 59.9600 . 1 207 55 68 GLU CB C 29.7700 . 1 208 55 68 GLU N N 121.2680 . 1 209 56 69 PHE H H 8.9750 . 1 210 56 69 PHE CA C 62.2000 . 1 211 56 69 PHE CB C 39.6900 . 1 212 56 69 PHE N N 121.2130 . 1 213 57 70 GLU CA C 58.9000 . 1 214 57 70 GLU CB C 29.6700 . 1 215 58 71 LEU H H 7.5620 . 1 216 58 71 LEU CA C 57.1900 . 1 217 58 71 LEU CB C 42.8900 . 1 218 58 71 LEU N N 117.2480 . 1 219 59 72 ARG H H 7.9080 . 1 220 59 72 ARG CA C 57.8300 . 1 221 59 72 ARG CB C 31.1600 . 1 222 59 72 ARG N N 116.8920 . 1 223 60 73 TYR H H 8.0000 . 1 224 60 73 TYR CA C 56.9700 . 1 225 60 73 TYR CB C 37.3500 . 1 226 60 73 TYR N N 118.3000 . 1 227 61 74 ARG H H 7.2880 . 1 228 61 74 ARG CA C 59.3200 . 1 229 61 74 ARG CB C 30.0900 . 1 230 61 74 ARG N N 119.9640 . 1 231 62 75 ARG CA C 58.2600 . 1 232 62 75 ARG CB C 29.2400 . 1 233 63 76 ALA H H 7.8080 . 1 234 63 76 ALA CA C 54.7300 . 1 235 63 76 ALA CB C 18.3600 . 1 236 63 76 ALA N N 121.9940 . 1 237 64 77 PHE H H 8.3200 . 1 238 64 77 PHE CA C 58.7900 . 1 239 64 77 PHE CB C 38.8400 . 1 240 64 77 PHE N N 115.4630 . 1 241 65 78 SER H H 8.2010 . 1 242 65 78 SER CA C 61.6700 . 1 243 65 78 SER CB C 62.9500 . 1 244 65 78 SER N N 117.0100 . 1 245 66 79 ASP CA C 56.8700 . 1 246 66 79 ASP CB C 40.2300 . 1 247 67 80 LEU H H 7.9120 . 1 248 67 80 LEU CA C 57.8300 . 1 249 67 80 LEU CB C 42.5700 . 1 250 67 80 LEU N N 120.8850 . 1 251 68 81 THR H H 8.4550 . 1 252 68 81 THR CA C 65.9400 . 1 253 68 81 THR CB C 68.2800 . 1 254 68 81 THR N N 110.0200 . 1 255 69 82 SER H H 7.7630 . 1 256 69 82 SER CA C 60.8200 . 1 257 69 82 SER CB C 63.2700 . 1 258 69 82 SER N N 116.4820 . 1 259 70 83 GLN H H 7.6680 . 1 260 70 83 GLN CA C 57.4000 . 1 261 70 83 GLN CB C 29.4500 . 1 262 70 83 GLN N N 118.8610 . 1 263 71 84 LEU H H 7.5200 . 1 264 71 84 LEU CA C 55.1600 . 1 265 71 84 LEU CB C 43.8500 . 1 266 71 84 LEU N N 118.7780 . 1 267 73 86 ILE H H 8.6100 . 1 268 73 86 ILE CA C 61.9900 . 1 269 73 86 ILE CB C 38.8400 . 1 270 73 86 ILE N N 122.4990 . 1 271 74 87 THR H H 8.2340 . 1 272 74 87 THR N N 117.3300 . 1 273 75 88 PRO CA C 62.2000 . 1 274 75 88 PRO CB C 31.2700 . 1 275 76 89 GLY H H 7.8950 . 1 276 76 89 GLY CA C 46.4100 . 1 277 76 89 GLY N N 116.9370 . 1 278 79 92 TYR H H 8.7410 . 1 279 79 92 TYR N N 121.0530 . 1 280 81 94 SER H H 7.3820 . 1 281 81 94 SER N N 114.5110 . 1 282 82 95 PHE H H 6.8620 . 1 283 82 95 PHE N N 122.4770 . 1 284 84 97 GLN H H 7.5940 . 1 285 84 97 GLN CA C 59.2200 . 1 286 84 97 GLN CB C 28.4900 . 1 287 84 97 GLN N N 115.1210 . 1 288 85 98 VAL H H 7.1760 . 1 289 85 98 VAL CA C 66.2600 . 1 290 85 98 VAL CB C 31.6900 . 1 291 85 98 VAL N N 118.3290 . 1 292 86 99 VAL H H 7.9270 . 1 293 86 99 VAL CA C 66.2600 . 1 294 86 99 VAL CB C 30.8400 . 1 295 86 99 VAL N N 119.7430 . 1 296 87 100 ASN H H 8.3830 . 1 297 87 100 ASN CA C 55.4800 . 1 298 87 100 ASN CB C 37.4500 . 1 299 87 100 ASN N N 117.6000 . 1 300 88 101 GLU H H 7.3930 . 1 301 88 101 GLU CA C 59.1100 . 1 302 88 101 GLU CB C 28.9200 . 1 303 88 101 GLU N N 118.7910 . 1 304 89 102 LEU H H 7.6210 . 1 305 89 102 LEU CA C 57.4000 . 1 306 89 102 LEU CB C 41.5100 . 1 307 89 102 LEU N N 120.4210 . 1 308 90 103 PHE H H 6.9960 . 1 309 90 103 PHE CA C 57.4000 . 1 310 90 103 PHE CB C 39.2700 . 1 311 90 103 PHE N N 113.0430 . 1 312 91 104 ARG H H 7.2350 . 1 313 91 104 ARG CA C 59.7500 . 1 314 91 104 ARG CB C 30.0900 . 1 315 91 104 ARG N N 123.6220 . 1 316 92 105 ASP H H 8.5740 . 1 317 92 105 ASP CA C 54.0900 . 1 318 92 105 ASP CB C 40.6500 . 1 319 92 105 ASP N N 116.6870 . 1 320 93 106 GLY H H 7.5190 . 1 321 93 106 GLY CA C 43.8500 . 1 322 93 106 GLY N N 108.5340 . 1 323 94 107 VAL H H 8.1310 . 1 324 94 107 VAL CA C 62.6300 . 1 325 94 107 VAL CB C 32.0100 . 1 326 94 107 VAL N N 120.2160 . 1 327 95 108 ASN H H 6.3580 . 1 328 95 108 ASN CA C 51.9600 . 1 329 95 108 ASN CB C 39.6900 . 1 330 95 108 ASN N N 116.0900 . 1 331 96 109 TRP H H 8.3520 . 1 332 96 109 TRP CA C 61.0300 . 1 333 96 109 TRP CB C 30.8400 . 1 334 96 109 TRP N N 118.0870 . 1 335 97 110 GLY H H 8.2690 . 1 336 97 110 GLY CA C 47.8000 . 1 337 97 110 GLY N N 106.2650 . 1 338 98 111 ARG CA C 59.0000 . 1 339 98 111 ARG CB C 30.9500 . 1 340 99 112 ILE H H 7.7550 . 1 341 99 112 ILE CA C 67.0000 . 1 342 99 112 ILE CB C 37.0300 . 1 343 99 112 ILE N N 120.5510 . 1 344 100 113 VAL H H 8.2260 . 1 345 100 113 VAL CA C 68.1800 . 1 346 100 113 VAL CB C 30.7300 . 1 347 100 113 VAL N N 121.2080 . 1 348 101 114 ALA H H 7.9200 . 1 349 101 114 ALA CA C 55.3700 . 1 350 101 114 ALA CB C 18.3600 . 1 351 101 114 ALA N N 121.9360 . 1 352 102 115 PHE H H 8.0980 . 1 353 102 115 PHE CA C 60.8200 . 1 354 102 115 PHE CB C 38.5200 . 1 355 102 115 PHE N N 119.7260 . 1 356 103 116 PHE H H 8.0180 . 1 357 103 116 PHE CA C 62.8400 . 1 358 103 116 PHE CB C 36.4900 . 1 359 103 116 PHE N N 120.6330 . 1 360 104 117 SER H H 8.5580 . 1 361 104 117 SER CA C 63.4800 . 1 362 104 117 SER CB C 57.4000 . 1 363 104 117 SER N N 114.8020 . 1 364 105 118 PHE H H 9.1220 . 1 365 105 118 PHE CA C 60.3900 . 1 366 105 118 PHE CB C 38.6300 . 1 367 105 118 PHE N N 124.3920 . 1 368 106 119 GLY H H 8.0650 . 1 369 106 119 GLY CA C 48.0100 . 1 370 106 119 GLY N N 106.5410 . 1 371 107 120 GLY H H 8.8910 . 1 372 107 120 GLY CA C 47.9100 . 1 373 107 120 GLY N N 107.7410 . 1 374 108 121 ALA H H 8.3270 . 1 375 108 121 ALA CA C 55.1600 . 1 376 108 121 ALA CB C 18.0400 . 1 377 108 121 ALA N N 124.9990 . 1 378 109 122 LEU H H 8.2590 . 1 379 109 122 LEU CA C 57.4000 . 1 380 109 122 LEU CB C 42.3600 . 1 381 109 122 LEU N N 119.0440 . 1 382 110 123 CYS H H 8.2100 . 1 383 110 123 CYS CA C 64.5500 . 1 384 110 123 CYS CB C 26.6800 . 1 385 110 123 CYS N N 119.3220 . 1 386 111 124 VAL H H 8.0850 . 1 387 111 124 VAL CA C 67.3200 . 1 388 111 124 VAL CB C 31.6900 . 1 389 111 124 VAL N N 118.8750 . 1 390 112 125 GLU H H 8.1590 . 1 391 112 125 GLU CA C 59.3200 . 1 392 112 125 GLU CB C 29.3500 . 1 393 112 125 GLU N N 119.4850 . 1 394 113 126 SER H H 7.7630 . 1 395 113 126 SER CA C 63.3800 . 1 396 113 126 SER CB C 62.3100 . 1 397 113 126 SER N N 113.7660 . 1 398 114 127 VAL H H 7.4200 . 1 399 114 127 VAL CA C 66.6800 . 1 400 114 127 VAL CB C 31.1600 . 1 401 114 127 VAL N N 120.9460 . 1 402 115 128 ASP H H 8.3100 . 1 403 115 128 ASP CA C 57.4000 . 1 404 115 128 ASP CB C 41.0800 . 1 405 115 128 ASP N N 123.0250 . 1 406 116 129 LYS H H 7.6700 . 1 407 116 129 LYS CA C 55.8000 . 1 408 116 129 LYS CB C 32.2300 . 1 409 116 129 LYS N N 116.2420 . 1 410 117 130 GLU H H 7.9490 . 1 411 117 130 GLU CA C 57.8300 . 1 412 117 130 GLU CB C 26.5700 . 1 413 117 130 GLU N N 114.3030 . 1 414 118 131 MET H H 8.5110 . 1 415 118 131 MET CA C 53.8800 . 1 416 118 131 MET CB C 32.5500 . 1 417 118 131 MET N N 119.2530 . 1 418 119 132 GLN H H 8.6990 . 1 419 119 132 GLN CA C 60.2800 . 1 420 119 132 GLN CB C 27.5300 . 1 421 119 132 GLN N N 119.6130 . 1 422 120 133 VAL H H 7.8820 . 1 423 120 133 VAL CA C 63.8000 . 1 424 120 133 VAL CB C 31.1600 . 1 425 120 133 VAL N N 116.8430 . 1 426 121 134 LEU H H 7.8630 . 1 427 121 134 LEU CA C 55.6900 . 1 428 121 134 LEU CB C 41.5100 . 1 429 121 134 LEU N N 117.7190 . 1 430 122 135 VAL H H 7.4640 . 1 431 122 135 VAL CA C 68.0700 . 1 432 122 135 VAL CB C 30.8400 . 1 433 122 135 VAL N N 119.9970 . 1 434 123 136 SER H H 8.2240 . 1 435 123 136 SER CA C 60.1400 . 1 436 123 136 SER CB C 62.5200 . 1 437 123 136 SER N N 111.0160 . 1 438 124 137 ARG H H 6.7260 . 1 439 124 137 ARG CA C 58.7900 . 1 440 124 137 ARG CB C 29.5600 . 1 441 124 137 ARG N N 123.1310 . 1 442 125 138 ILE H H 8.0830 . 1 443 125 138 ILE CA C 64.9800 . 1 444 125 138 ILE CB C 37.6700 . 1 445 125 138 ILE N N 118.7060 . 1 446 126 139 ALA H H 7.6790 . 1 447 126 139 ALA CA C 55.2700 . 1 448 126 139 ALA CB C 18.1500 . 1 449 126 139 ALA N N 119.6950 . 1 450 127 140 ALA H H 7.3260 . 1 451 127 140 ALA CA C 55.2700 . 1 452 127 140 ALA CB C 17.8300 . 1 453 127 140 ALA N N 120.6860 . 1 454 128 141 TRP H H 9.0720 . 1 455 128 141 TRP CA C 57.9400 . 1 456 128 141 TRP CB C 28.7100 . 1 457 128 141 TRP N N 121.8820 . 1 458 129 142 MET H H 9.0050 . 1 459 129 142 MET CA C 60.3900 . 1 460 129 142 MET CB C 34.7900 . 1 461 129 142 MET N N 117.5980 . 1 462 130 143 ALA H H 8.3020 . 1 463 130 143 ALA CA C 56.2300 . 1 464 130 143 ALA CB C 17.5100 . 1 465 130 143 ALA N N 120.9840 . 1 466 131 144 THR H H 8.5730 . 1 467 131 144 THR CA C 67.4300 . 1 468 131 144 THR CB C 69.2400 . 1 469 131 144 THR N N 116.6870 . 1 470 132 145 TYR H H 8.8810 . 1 471 132 145 TYR CA C 63.4800 . 1 472 132 145 TYR CB C 39.3700 . 1 473 132 145 TYR N N 123.7390 . 1 474 133 146 LEU H H 8.8270 . 1 475 133 146 LEU CA C 59.4300 . 1 476 133 146 LEU CB C 43.1100 . 1 477 133 146 LEU N N 119.7020 . 1 478 134 147 ASN H H 8.3820 . 1 479 134 147 ASN CA C 56.9700 . 1 480 134 147 ASN CB C 39.3700 . 1 481 134 147 ASN N N 117.7030 . 1 482 135 148 ASP H H 8.4700 . 1 483 135 148 ASP CA C 56.7600 . 1 484 135 148 ASP CB C 40.9700 . 1 485 135 148 ASP N N 115.3560 . 1 486 136 149 HIS H H 8.1300 . 1 487 136 149 HIS CA C 56.7600 . 1 488 136 149 HIS CB C 30.9500 . 1 489 136 149 HIS N N 112.0750 . 1 490 137 150 LEU H H 7.2900 . 1 491 137 150 LEU CA C 55.6900 . 1 492 137 150 LEU CB C 43.3200 . 1 493 137 150 LEU N N 117.1370 . 1 494 138 151 GLU H H 8.6730 . 1 495 138 151 GLU CA C 60.9200 . 1 496 138 151 GLU CB C 27.4300 . 1 497 138 151 GLU N N 122.0580 . 1 498 139 152 PRO CA C 66.3600 . 1 499 139 152 PRO CB C 30.6300 . 1 500 140 153 TRP H H 7.1210 . 1 501 140 153 TRP CA C 62.2000 . 1 502 140 153 TRP CB C 28.8100 . 1 503 140 153 TRP N N 117.9930 . 1 504 141 154 ILE H H 8.4520 . 1 505 141 154 ILE CA C 66.2600 . 1 506 141 154 ILE CB C 38.2000 . 1 507 141 154 ILE N N 122.5360 . 1 508 142 155 GLN H H 8.5040 . 1 509 142 155 GLN CA C 58.7900 . 1 510 142 155 GLN CB C 28.0700 . 1 511 142 155 GLN N N 117.0040 . 1 512 143 156 GLU H H 7.5870 . 1 513 143 156 GLU CA C 58.1500 . 1 514 143 156 GLU CB C 29.7700 . 1 515 143 156 GLU N N 119.3420 . 1 516 144 157 ASN H H 7.1950 . 1 517 144 157 ASN CA C 53.7700 . 1 518 144 157 ASN CB C 38.0900 . 1 519 144 157 ASN N N 116.7900 . 1 520 145 158 GLY H H 7.4390 . 1 521 145 158 GLY CA C 45.8800 . 1 522 145 158 GLY N N 105.3090 . 1 523 146 159 GLY H H 8.5480 . 1 524 146 159 GLY CA C 44.6000 . 1 525 146 159 GLY N N 108.5290 . 1 526 147 160 TRP H H 8.6540 . 1 527 147 160 TRP CA C 60.8200 . 1 528 147 160 TRP CB C 29.6700 . 1 529 147 160 TRP N N 118.3600 . 1 530 148 161 ASP H H 8.8140 . 1 531 148 161 ASP CA C 57.9400 . 1 532 148 161 ASP CB C 40.5500 . 1 533 148 161 ASP N N 117.8620 . 1 534 149 162 THR H H 7.6000 . 1 535 149 162 THR CA C 66.2600 . 1 536 149 162 THR CB C 68.3900 . 1 537 149 162 THR N N 116.7330 . 1 538 150 163 PHE H H 6.6490 . 1 539 150 163 PHE CA C 61.8800 . 1 540 150 163 PHE CB C 38.0900 . 1 541 150 163 PHE N N 122.2390 . 1 542 151 164 VAL H H 7.7980 . 1 543 151 164 VAL CA C 66.5800 . 1 544 151 164 VAL CB C 31.5900 . 1 545 151 164 VAL N N 117.4320 . 1 546 152 165 GLU H H 7.5230 . 1 547 152 165 GLU CA C 59.2200 . 1 548 152 165 GLU CB C 29.6700 . 1 549 152 165 GLU N N 120.0530 . 1 550 153 166 LEU H H 7.7110 . 1 551 153 166 LEU CA C 57.0800 . 1 552 153 166 LEU CB C 43.5300 . 1 553 153 166 LEU N N 117.7030 . 1 554 154 167 TYR H H 8.1970 . 1 555 154 167 TYR CA C 59.8600 . 1 556 154 167 TYR CB C 39.0500 . 1 557 154 167 TYR N N 116.3150 . 1 558 155 168 GLY H H 7.9490 . 1 559 155 168 GLY CA C 45.6700 . 1 560 155 168 GLY N N 107.3040 . 1 561 156 169 ASN H H 8.2820 . 1 562 156 169 ASN CA C 53.5600 . 1 563 156 169 ASN CB C 38.9500 . 1 564 156 169 ASN N N 118.4040 . 1 565 157 170 ASN CA C 54.0200 . 1 566 157 170 ASN CB C 39.0500 . 1 567 158 171 ALA H H 8.0970 . 1 568 158 171 ALA CA C 53.5600 . 1 569 158 171 ALA CB C 18.8900 . 1 570 158 171 ALA N N 123.4260 . 1 571 159 172 ALA H H 8.0370 . 1 572 159 172 ALA CA C 53.1300 . 1 573 159 172 ALA CB C 18.8900 . 1 574 159 172 ALA N N 121.6850 . 1 575 160 173 ALA H H 7.9940 . 1 576 160 173 ALA CA C 53.6700 . 1 577 160 173 ALA CB C 18.8900 . 1 578 160 173 ALA N N 122.4450 . 1 579 161 174 GLU H H 8.2960 . 1 580 161 174 GLU N N 118.4420 . 1 581 175 188 THR H H 7.9150 . 1 582 175 188 THR CA C 62.4200 . 1 583 175 188 THR CB C 69.9900 . 1 584 175 188 THR N N 112.8100 . 1 585 176 189 GLY H H 8.2700 . 1 586 176 189 GLY CA C 45.6700 . 1 587 176 189 GLY N N 110.9970 . 1 588 177 190 MET H H 7.6730 . 1 589 177 190 MET CA C 57.0800 . 1 590 177 190 MET CB C 34.2500 . 1 591 177 190 MET N N 124.5760 . 1 592 180 193 ALA H H 8.0910 . 1 593 180 193 ALA CA C 50.8900 . 1 594 180 193 ALA CB C 19.2100 . 1 595 180 193 ALA N N 124.7750 . 1 stop_ save_