data_50276 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Assignments for human BCL-XL(1-212) ; _BMRB_accession_number 50276 _BMRB_flat_file_name bmr50276.str _Entry_type original _Submission_date 2020-05-15 _Accession_date 2020-05-15 _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 Ryzhov Pavel . . 2 Yao Yong . . 3 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" 179 "13C chemical shifts" 293 "15N chemical shifts" 179 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-09-18 original BMRB . stop_ _Original_release_date 2020-05-18 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational States of the Cytoprotective Protein Bcl-xL ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32888404 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ryzhov Pavel . . 2 Tian Ye . . 3 Yao Yong . . 4 Bobkov Andrey A. . 5 Im Wonpil . . 6 Marassi Francesca M. . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_volume . _Journal_issue . _Journal_ISSN 1542-0086 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name BCL-XL _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BCL-XL $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 233 _Mol_residue_sequence ; MSQSNRELVVDFLSYKLSQK GYSWSQFSDVEENRTEAPEG TESEMETPSAINGNPSWHLA DSPAVNGATGHSSSLDAREV IPMAAVKQALREAGDEFELR YRRAFSDLTSQLHITPGTAY QSFEQVVNELFRDGVNWGRI VAFFSFGGALCVESVDKEMQ VLVSRIAAWMATYLNDHLEP WIQENGGWDTFVELYGNNAA AESRKGQERFNRWFLTGMTV AGVVLLGSLFSRK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLN 4 SER 5 ASN 6 ARG 7 GLU 8 LEU 9 VAL 10 VAL 11 ASP 12 PHE 13 LEU 14 SER 15 TYR 16 LYS 17 LEU 18 SER 19 GLN 20 LYS 21 GLY 22 TYR 23 SER 24 TRP 25 SER 26 GLN 27 PHE 28 SER 29 ASP 30 VAL 31 GLU 32 GLU 33 ASN 34 ARG 35 THR 36 GLU 37 ALA 38 PRO 39 GLU 40 GLY 41 THR 42 GLU 43 SER 44 GLU 45 MET 46 GLU 47 THR 48 PRO 49 SER 50 ALA 51 ILE 52 ASN 53 GLY 54 ASN 55 PRO 56 SER 57 TRP 58 HIS 59 LEU 60 ALA 61 ASP 62 SER 63 PRO 64 ALA 65 VAL 66 ASN 67 GLY 68 ALA 69 THR 70 GLY 71 HIS 72 SER 73 SER 74 SER 75 LEU 76 ASP 77 ALA 78 ARG 79 GLU 80 VAL 81 ILE 82 PRO 83 MET 84 ALA 85 ALA 86 VAL 87 LYS 88 GLN 89 ALA 90 LEU 91 ARG 92 GLU 93 ALA 94 GLY 95 ASP 96 GLU 97 PHE 98 GLU 99 LEU 100 ARG 101 TYR 102 ARG 103 ARG 104 ALA 105 PHE 106 SER 107 ASP 108 LEU 109 THR 110 SER 111 GLN 112 LEU 113 HIS 114 ILE 115 THR 116 PRO 117 GLY 118 THR 119 ALA 120 TYR 121 GLN 122 SER 123 PHE 124 GLU 125 GLN 126 VAL 127 VAL 128 ASN 129 GLU 130 LEU 131 PHE 132 ARG 133 ASP 134 GLY 135 VAL 136 ASN 137 TRP 138 GLY 139 ARG 140 ILE 141 VAL 142 ALA 143 PHE 144 PHE 145 SER 146 PHE 147 GLY 148 GLY 149 ALA 150 LEU 151 CYS 152 VAL 153 GLU 154 SER 155 VAL 156 ASP 157 LYS 158 GLU 159 MET 160 GLN 161 VAL 162 LEU 163 VAL 164 SER 165 ARG 166 ILE 167 ALA 168 ALA 169 TRP 170 MET 171 ALA 172 THR 173 TYR 174 LEU 175 ASN 176 ASP 177 HIS 178 LEU 179 GLU 180 PRO 181 TRP 182 ILE 183 GLN 184 GLU 185 ASN 186 GLY 187 GLY 188 TRP 189 ASP 190 THR 191 PHE 192 VAL 193 GLU 194 LEU 195 TYR 196 GLY 197 ASN 198 ASN 199 ALA 200 ALA 201 ALA 202 GLU 203 SER 204 ARG 205 LYS 206 GLY 207 GLN 208 GLU 209 ARG 210 PHE 211 ASN 212 ARG 213 TRP 214 PHE 215 LEU 216 THR 217 GLY 218 MET 219 THR 220 VAL 221 ALA 222 GLY 223 VAL 224 VAL 225 LEU 226 LEU 227 GLY 228 SER 229 LEU 230 PHE 231 SER 232 ARG 233 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid PET21b 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 $entity_1 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRViewJ _Version . loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_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 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 . . . . DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0 external indirect . . . . 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_2 stop_ 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 $chem_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 6 6 ARG H H 7.807 0.000 1 2 6 6 ARG N N 119.772 0.000 1 3 7 7 GLU H H 7.952 0.000 1 4 7 7 GLU N N 117.476 0.000 1 5 8 8 LEU H H 7.767 0.000 1 6 8 8 LEU N N 119.863 0.000 1 7 9 9 VAL H H 7.682 0.000 1 8 9 9 VAL CA C 67.93 0.000 1 9 9 9 VAL CB C 32.41 0.000 1 10 9 9 VAL N N 117.863 0.000 1 11 10 10 VAL H H 8.306 0.000 1 12 10 10 VAL N N 116.845 0.000 1 13 11 11 ASP H H 8.012 0.000 1 14 11 11 ASP N N 121.082 0.000 1 15 12 12 PHE H H 8.263 0.000 1 16 12 12 PHE CA C 63.17 0.000 1 17 12 12 PHE CB C 39.81 0.000 1 18 12 12 PHE N N 120.02 0.000 1 19 13 13 LEU H H 8.798 0.000 1 20 13 13 LEU CA C 58.27 0.000 1 21 13 13 LEU CB C 39.77 0.000 1 22 13 13 LEU N N 116.631 0.000 1 23 14 14 SER H H 8.413 0.000 1 24 14 14 SER CA C 62.60 0.000 1 25 14 14 SER N N 114.030 0.000 1 26 15 15 TYR H H 8.193 0.000 1 27 15 15 TYR CA C 60.08 0.000 1 28 15 15 TYR CB C 37.83 0.000 1 29 15 15 TYR N N 124.791 0.000 1 30 16 16 LYS H H 8.263 0.000 1 31 16 16 LYS CA C 57.03 0.000 1 32 16 16 LYS N N 120.02 0.000 1 33 17 17 LEU H H 8.617 0.000 1 34 17 17 LEU CA C 58.73 0.000 1 35 17 17 LEU CB C 41.15 0.000 1 36 17 17 LEU N N 118.487 0.000 1 37 18 18 SER H H 8.303 0.000 1 38 18 18 SER CA C 63.87 0.000 1 39 18 18 SER N N 117.647 0.000 1 40 19 19 GLN H H 7.640 0.000 1 41 19 19 GLN CA C 58.46 0.000 1 42 19 19 GLN CB C 28.71 0.000 1 43 19 19 GLN N N 122.843 0.000 1 44 20 20 LYS H H 7.199 0.000 1 45 20 20 LYS CA C 53.90 0.000 1 46 20 20 LYS CB C 32.64 0.000 1 47 20 20 LYS N N 116.464 0.000 1 48 21 21 GLY H H 7.554 0.000 1 49 21 21 GLY CA C 45.17 0.000 1 50 21 21 GLY N N 105.609 0.000 1 51 22 22 TYR H H 7.826 0.000 1 52 22 22 TYR CA C 63.17 0.000 1 53 22 22 TYR CB C 39.81 0.000 1 54 22 22 TYR N N 119.894 0.000 1 55 23 23 SER H H 8.51 0.000 1 56 23 23 SER CA C 57.09 0.000 1 57 23 23 SER CB C 64.74 0.000 1 58 23 23 SER N N 115.87 0.000 1 59 24 24 TRP H H 8.844 0.000 1 60 24 24 TRP CA C 59.09 0.000 1 61 24 24 TRP CB C 30.39 0.000 1 62 24 24 TRP N N 127.052 0.000 1 63 25 25 SER H H 8.107 0.000 1 64 25 25 SER CA C 59.47 0.000 1 65 25 25 SER CB C 63.20 0.000 1 66 25 25 SER N N 113.463 0.000 1 67 26 26 GLN H H 7.369 0.000 1 68 26 26 GLN CA C 57.06 0.000 1 69 26 26 GLN CB C 28.59 0.000 1 70 26 26 GLN N N 119.731 0.000 1 71 27 27 PHE H H 7.360 0.000 1 72 27 27 PHE CA C 56.75 0.000 1 73 27 27 PHE CB C 39.22 0.000 1 74 27 27 PHE N N 117.395 0.000 1 75 28 28 SER H H 7.471 0.000 1 76 28 28 SER CA C 58.44 0.000 1 77 28 28 SER CB C 63.90 0.000 1 78 28 28 SER N N 114.795 0.000 1 79 29 29 ASP H H 8.265 0.000 1 80 29 29 ASP CA C 54.26 0.000 1 81 29 29 ASP CB C 40.92 0.000 1 82 29 29 ASP N N 122.387 0.000 1 83 30 30 VAL H H 7.839 0.000 1 84 30 30 VAL CA C 62.52 0.000 1 85 30 30 VAL CB C 32.64 0.000 1 86 30 30 VAL N N 118.881 0.000 1 87 31 31 GLU H H 8.357 0.000 1 88 31 31 GLU CA C 56.68 0.000 1 89 31 31 GLU CB C 30.34 0.000 1 90 31 31 GLU N N 124.079 0.000 1 91 32 32 GLU H H 8.357 0.000 1 92 32 32 GLU CA C 56.84 0.000 1 93 32 32 GLU CB C 30.28 0.000 1 94 32 32 GLU N N 121.763 0.000 1 95 33 33 ASN H H 8.389 0.000 1 96 33 33 ASN CA C 53.24 0.000 1 97 33 33 ASN CB C 38.64 0.000 1 98 33 33 ASN N N 119.427 0.000 1 99 34 34 ARG H H 8.221 0.000 1 100 34 34 ARG CA C 56.19 0.000 1 101 34 34 ARG CB C 30.79 0.000 1 102 34 34 ARG N N 121.967 0.000 1 103 35 35 THR H H 8.210 0.000 1 104 35 35 THR CA C 62.03 0.000 1 105 35 35 THR CB C 69.90 0.000 1 106 35 35 THR N N 116.027 0.000 1 107 36 36 GLU H H 8.334 0.000 1 108 36 36 GLU CA C 56.17 0.000 1 109 36 36 GLU CB C 30.36 0.000 1 110 36 36 GLU N N 123.338 0.000 1 111 37 37 ALA H H 8.289 0.000 1 112 37 37 ALA CA C 50.32 0.000 1 113 37 37 ALA CB C 18.09 0.000 1 114 37 37 ALA N N 126.488 0.000 1 115 38 38 PRO CA C 63.06 0.000 1 116 38 38 PRO CB C 31.93 0.000 1 117 39 39 GLU H H 8.569 0.000 1 118 39 39 GLU CA C 57.00 0.000 1 119 39 39 GLU CB C 30.24 0.000 1 120 39 39 GLU N N 121.452 0.000 1 121 40 40 GLY H H 8.457 0.000 1 122 40 40 GLY CA C 45.39 0.000 1 123 40 40 GLY N N 110.338 0.000 1 124 41 41 THR H H 7.981 0.000 1 125 41 41 THR CA C 62.02 0.000 1 126 41 41 THR CB C 70.07 0.000 1 127 41 41 THR N N 113.155 0.000 1 128 42 42 GLU H H 8.578 0.000 1 129 42 42 GLU CA C 57.12 0.000 1 130 42 42 GLU CB C 29.87 0.000 1 131 42 42 GLU N N 123.272 0.000 1 132 43 43 SER H H 8.260 0.000 1 133 43 43 SER CA C 58.63 0.000 1 134 43 43 SER CB C 64.00 0.000 1 135 43 43 SER N N 116.458 0.000 1 136 44 44 GLU H H 8.381 0.000 1 137 44 44 GLU CA C 56.76 0.000 1 138 44 44 GLU CB C 30.00 0.000 1 139 44 44 GLU N N 122.622 0.000 1 140 45 45 MET H H 8.198 0.000 1 141 45 45 MET CA C 55.50 0.000 1 142 45 45 MET CB C 33.12 0.000 1 143 45 45 MET N N 120.500 0.000 1 144 46 46 GLU H H 8.305 0.000 1 145 46 46 GLU CA C 56.64 0.000 1 146 46 46 GLU CB C 30.36 0.000 1 147 46 46 GLU N N 122.019 0.000 1 148 47 47 THR H H 8.186 0.000 1 149 47 47 THR CA C 59.82 0.000 1 150 47 47 THR CB C 69.74 0.000 1 151 47 47 THR N N 117.922 0.000 1 152 48 48 PRO CA C 63.37 0.000 1 153 48 48 PRO CB C 32.07 0.000 1 154 49 49 SER H H 8.314 0.000 1 155 49 49 SER CA C 58.54 0.000 1 156 49 49 SER CB C 64.14 0.000 1 157 49 49 SER N N 115.891 0.000 1 158 50 50 ALA H H 8.236 0.000 1 159 50 50 ALA CA C 52.47 0.000 1 160 50 50 ALA CB C 19.22 0.000 1 161 50 50 ALA N N 125.818 0.000 1 162 51 51 ILE H H 8.013 0.000 1 163 51 51 ILE CA C 61.35 0.000 1 164 51 51 ILE CB C 38.87 0.000 1 165 51 51 ILE N N 119.175 0.000 1 166 52 52 ASN H H 8.288 0.000 1 167 52 52 ASN CA C 53.31 0.000 1 168 52 52 ASN CB C 38.72 0.000 1 169 52 52 ASN N N 121.624 0.000 1 170 53 53 GLY H H 8.179 0.000 1 171 53 53 GLY CA C 45.19 0.000 1 172 53 53 GLY N N 108.828 0.000 1 173 54 54 ASN H H 8.059 0.000 1 174 54 54 ASN N N 119.190 0.000 1 175 55 55 PRO CA C 63.53 0.000 1 176 55 55 PRO CB C 31.99 0.000 1 177 56 56 SER H H 8.239 0.000 1 178 56 56 SER CA C 58.79 0.000 1 179 56 56 SER CB C 63.61 0.000 1 180 56 56 SER N N 115.020 0.000 1 181 57 57 TRP H H 7.774 0.000 1 182 57 57 TRP CA C 57.22 0.000 1 183 57 57 TRP CB C 29.24 0.000 1 184 57 57 TRP N N 121.955 0.000 1 185 59 59 LEU H H 7.826 0.000 1 186 59 59 LEU CA C 55.20 0.000 1 187 59 59 LEU CB C 42.12 0.000 1 188 59 59 LEU N N 123.197 0.000 1 189 60 60 ALA H H 8.119 0.000 1 190 60 60 ALA CA C 52.63 0.000 1 191 60 60 ALA CB C 19.18 0.000 1 192 60 60 ALA N N 124.173 0.000 1 193 61 61 ASP H H 8.130 0.000 1 194 61 61 ASP CA C 54.24 0.000 1 195 61 61 ASP CB C 41.42 0.000 1 196 61 61 ASP N N 118.789 0.000 1 197 62 62 SER H H 8.004 0.000 1 198 62 62 SER CA C 56.41 0.000 1 199 62 62 SER CB C 63.68 0.000 1 200 62 62 SER N N 116.460 0.000 1 201 63 63 PRO CA C 63.36 0.000 1 202 63 63 PRO CB C 31.95 0.000 1 203 64 64 ALA H H 8.212 0.000 1 204 64 64 ALA CA C 52.55 0.000 1 205 64 64 ALA CB C 19.04 0.000 1 206 64 64 ALA N N 123.768 0.000 1 207 65 65 VAL H H 7.967 0.000 1 208 65 65 VAL CA C 62.43 0.000 1 209 65 65 VAL CB C 32.75 0.000 1 210 65 65 VAL N N 118.818 0.000 1 211 66 66 ASN H H 8.390 0.000 1 212 66 66 ASN CA C 53.35 0.000 1 213 66 66 ASN CB C 38.88 0.000 1 214 66 66 ASN N N 121.680 0.000 1 215 67 67 GLY H H 8.291 0.000 1 216 67 67 GLY CA C 45.47 0.000 1 217 67 67 GLY N N 109.477 0.000 1 218 68 68 ALA H H 8.106 0.000 1 219 68 68 ALA CA C 52.66 0.000 1 220 68 68 ALA CB C 19.21 0.000 1 221 68 68 ALA N N 123.553 0.000 1 222 69 69 THR H H 8.059 0.000 1 223 69 69 THR CA C 62.00 0.000 1 224 69 69 THR CB C 69.78 0.000 1 225 69 69 THR N N 112.341 0.000 1 226 70 70 GLY H H 8.280 0.000 1 227 70 70 GLY CA C 45.37 0.000 1 228 70 70 GLY N N 110.690 0.000 1 229 71 71 HIS H H 7.918 0.000 1 230 71 71 HIS CA C 59.59 0.000 1 231 71 71 HIS CB C 29.48 0.000 1 232 71 71 HIS N N 117.547 0.000 1 233 75 75 LEU H H 8.171 0.000 1 234 75 75 LEU CA C 55.62 0.000 1 235 75 75 LEU CB C 41.13 0.000 1 236 75 75 LEU N N 123.629 0.000 1 237 76 76 ASP H H 8.121 0.000 1 238 76 76 ASP CA C 54.35 0.000 1 239 76 76 ASP CB C 41.30 0.000 1 240 76 76 ASP N N 120.555 0.000 1 241 77 77 ALA H H 8.062 0.000 1 242 77 77 ALA CA C 52.64 0.000 1 243 77 77 ALA CB C 18.98 0.000 1 244 77 77 ALA N N 124.549 0.000 1 245 78 78 ARG H H 8.160 0.000 1 246 78 78 ARG CA C 56.24 0.000 1 247 78 78 ARG CB C 30.82 0.000 1 248 78 78 ARG N N 119.571 0.000 1 249 79 79 GLU H H 8.307 0.000 1 250 79 79 GLU CA C 56.72 0.000 1 251 79 79 GLU CB C 30.36 0.000 1 252 79 79 GLU N N 121.502 0.000 1 253 81 81 ILE H H 8.340 0.000 1 254 81 81 ILE CA C 58.68 0.000 1 255 81 81 ILE CB C 38.38 0.000 1 256 81 81 ILE N N 126.026 0.000 1 257 83 83 MET H H 8.326 0.000 1 258 83 83 MET N N 122.221 0.000 1 259 84 84 ALA H H 8.258 0.000 1 260 84 84 ALA N N 124.444 0.000 1 261 86 86 VAL H H 8.207 0.000 1 262 86 86 VAL N N 119.956 0.000 1 263 87 87 LYS H H 7.875 0.000 1 264 87 87 LYS N N 120.245 0.000 1 265 88 88 GLN H H 8.094 0.000 1 266 88 88 GLN CA C 58.86 0.000 1 267 88 88 GLN CB C 29.65 0.000 1 268 88 88 GLN N N 116.661 0.000 1 269 89 89 ALA H H 7.724 0.000 1 270 89 89 ALA CA C 54.98 0.000 1 271 89 89 ALA CB C 18.13 0.000 1 272 89 89 ALA N N 119.894 0.000 1 273 90 90 LEU H H 8.591 0.000 1 274 90 90 LEU CA C 58.75 0.000 1 275 90 90 LEU CB C 41.92 0.000 1 276 90 90 LEU N N 120.507 0.000 1 277 91 91 ARG H H 8.022 0.000 1 278 91 91 ARG CB C 32.82 0.000 1 279 91 91 ARG N N 118.585 0.000 1 280 92 92 GLU H H 7.816 0.000 1 281 92 92 GLU CA C 59.27 0.000 1 282 92 92 GLU CB C 29.25 0.000 1 283 92 92 GLU N N 116.309 0.000 1 284 93 93 ALA H H 8.922 0.000 1 285 93 93 ALA CA C 55.26 0.000 1 286 93 93 ALA CB C 19.17 0.000 1 287 93 93 ALA N N 123.376 0.000 1 288 94 94 GLY H H 9.156 0.000 1 289 94 94 GLY CA C 47.21 0.000 1 290 94 94 GLY N N 108.470 0.000 1 291 95 95 ASP H H 8.164 0.000 1 292 95 95 ASP CA C 57.86 0.000 1 293 95 95 ASP CB C 39.59 0.000 1 294 95 95 ASP N N 122.520 0.000 1 295 96 96 GLU H H 8.168 0.000 1 296 96 96 GLU N N 120.724 0.000 1 297 97 97 PHE H H 8.669 0.000 1 298 97 97 PHE CA C 61.98 0.000 1 299 97 97 PHE N N 121.529 0.000 1 300 98 98 GLU H H 7.988 0.000 1 301 98 98 GLU CB C 29.73 0.000 1 302 98 98 GLU N N 117.409 0.000 1 303 99 99 LEU H H 7.454 0.000 1 304 99 99 LEU CA C 57.02 0.000 1 305 99 99 LEU CB C 42.66 0.000 1 306 99 99 LEU N N 117.323 0.000 1 307 100 100 ARG H H 7.524 0.000 1 308 100 100 ARG CA C 59.18 0.000 1 309 100 100 ARG CB C 27.80 0.000 1 310 100 100 ARG N N 116.293 0.000 1 311 101 101 TYR H H 7.948 0.000 1 312 101 101 TYR N N 118.970 0.000 1 313 102 102 ARG H H 7.380 0.000 1 314 102 102 ARG CA C 59.04 0.000 1 315 102 102 ARG N N 119.915 0.000 1 316 104 104 ALA H H 7.796 0.000 1 317 104 104 ALA CA C 54.61 0.000 1 318 104 104 ALA N N 121.801 0.000 1 319 105 105 PHE H H 8.494 0.000 1 320 105 105 PHE CA C 58.23 0.000 1 321 105 105 PHE CB C 38.77 0.000 1 322 105 105 PHE N N 115.592 0.000 1 323 106 106 SER H H 7.847 0.000 1 324 106 106 SER CA C 55.51 0.000 1 325 106 106 SER CB C 64.39 0.000 1 326 106 106 SER N N 114.884 0.000 1 327 107 107 ASP H H 8.434 0.000 1 328 107 107 ASP N N 121.483 0.000 1 329 108 108 LEU H H 7.797 0.000 1 330 108 108 LEU CA C 57.83 0.000 1 331 108 108 LEU CB C 42.23 0.000 1 332 108 108 LEU N N 121.042 0.000 1 333 109 109 THR H H 8.429 0.000 1 334 109 109 THR CA C 65.87 0.000 1 335 109 109 THR CB C 68.29 0.000 1 336 109 109 THR N N 110.168 0.000 1 337 110 110 SER H H 7.685 0.000 1 338 110 110 SER CA C 60.74 0.000 1 339 110 110 SER CB C 63.23 0.000 1 340 110 110 SER N N 116.507 0.000 1 341 111 111 GLN H H 7.676 0.000 1 342 111 111 GLN CA C 57.31 0.000 1 343 111 111 GLN CB C 29.30 0.000 1 344 111 111 GLN N N 119.034 0.000 1 345 112 112 LEU H H 7.503 0.000 1 346 112 112 LEU CA C 55.37 0.000 1 347 112 112 LEU CB C 43.77 0.000 1 348 112 112 LEU N N 118.700 0.000 1 349 114 114 ILE H H 8.695 0.000 1 350 114 114 ILE CA C 62.01 0.000 1 351 114 114 ILE CB C 38.61 0.000 1 352 114 114 ILE N N 122.408 0.000 1 353 119 119 ALA H H 8.702 0.000 1 354 119 119 ALA N N 129.885 0.000 1 355 120 120 TYR H H 8.797 0.000 1 356 120 120 TYR CA C 60.89 0.000 1 357 120 120 TYR N N 121.280 0.000 1 358 121 121 GLN H H 8.475 0.000 1 359 121 121 GLN CA C 59.95 0.000 1 360 121 121 GLN N N 115.087 0.000 1 361 122 122 SER H H 7.299 0.000 1 362 122 122 SER CA C 62.02 0.000 1 363 122 122 SER N N 114.420 0.000 1 364 124 124 GLU H H 8.606 0.000 1 365 124 124 GLU CA C 58.75 0.000 1 366 124 124 GLU CB C 29.75 0.000 1 367 124 124 GLU N N 119.863 0.000 1 368 125 125 GLN H H 7.528 0.000 1 369 125 125 GLN CA C 59.06 0.000 1 370 125 125 GLN CB C 28.44 0.000 1 371 125 125 GLN N N 114.951 0.000 1 372 126 126 VAL H H 7.108 0.000 1 373 126 126 VAL CA C 66.15 0.000 1 374 126 126 VAL N N 118.437 0.000 1 375 127 127 VAL H H 7.936 0.000 1 376 127 127 VAL CA C 66.34 0.000 1 377 127 127 VAL CB C 30.92 0.000 1 378 127 127 VAL N N 119.974 0.000 1 379 128 128 ASN H H 8.364 0.000 1 380 128 128 ASN CA C 55.37 0.000 1 381 128 128 ASN CB C 37.10 0.000 1 382 128 128 ASN N N 117.525 0.000 1 383 129 129 GLU H H 7.323 0.000 1 384 129 129 GLU CA C 57.89 0.000 1 385 129 129 GLU CB C 28.68 0.000 1 386 129 129 GLU N N 118.885 0.000 1 387 130 130 LEU H H 7.552 0.000 1 388 130 130 LEU CA C 57.37 0.000 1 389 130 130 LEU N N 120.777 0.000 1 390 131 131 PHE H H 6.970 0.000 1 391 131 131 PHE CA C 57.46 0.000 1 392 131 131 PHE CB C 39.33 0.000 1 393 131 131 PHE N N 113.319 0.000 1 394 132 132 ARG H H 7.178 0.000 1 395 132 132 ARG CA C 59.61 0.000 1 396 132 132 ARG CB C 29.90 0.000 1 397 132 132 ARG N N 123.936 0.000 1 398 133 133 ASP H H 8.656 0.000 1 399 133 133 ASP CA C 53.91 0.000 1 400 133 133 ASP CB C 40.44 0.000 1 401 133 133 ASP N N 116.864 0.000 1 402 134 134 GLY H H 7.521 0.000 1 403 134 134 GLY CA C 43.71 0.000 1 404 134 134 GLY N N 108.824 0.000 1 405 135 135 VAL H H 8.220 0.000 1 406 135 135 VAL CA C 62.69 0.000 1 407 135 135 VAL N N 120.788 0.000 1 408 136 136 ASN H H 6.339 0.000 1 409 136 136 ASN CA C 51.69 0.000 1 410 136 136 ASN CB C 39.68 0.000 1 411 136 136 ASN N N 116.147 0.000 1 412 137 137 TRP H H 8.514 0.000 1 413 137 137 TRP CA C 60.96 0.000 1 414 137 137 TRP N N 118.678 0.000 1 415 138 138 GLY H H 8.579 0.000 1 416 138 138 GLY CA C 47.47 0.000 1 417 138 138 GLY N N 106.681 0.000 1 418 139 139 ARG H H 8.161 0.000 1 419 139 139 ARG CA C 59.04 0.000 1 420 139 139 ARG CB C 30.76 0.000 1 421 139 139 ARG N N 121.542 0.000 1 422 140 140 ILE H H 7.749 0.000 1 423 140 140 ILE CA C 67.08 0.000 1 424 140 140 ILE N N 121.355 0.000 1 425 141 141 VAL H H 8.275 0.000 1 426 141 141 VAL CA C 68.18 0.000 1 427 141 141 VAL N N 121.232 0.000 1 428 142 142 ALA H H 7.626 0.000 1 429 142 142 ALA CA C 55.19 0.000 1 430 142 142 ALA CB C 18.29 0.000 1 431 142 142 ALA N N 121.577 0.000 1 432 143 143 PHE H H 8.043 0.000 1 433 143 143 PHE N N 119.513 0.000 1 434 144 144 PHE H H 7.924 0.000 1 435 144 144 PHE N N 120.616 0.000 1 436 145 145 SER H H 8.434 0.000 1 437 145 145 SER N N 114.753 0.000 1 438 146 146 PHE H H 9.083 0.000 1 439 146 146 PHE CA C 60.05 0.000 1 440 146 146 PHE CB C 38.48 0.000 1 441 146 146 PHE N N 124.504 0.000 1 442 147 147 GLY H H 7.981 0.000 1 443 147 147 GLY CA C 47.90 0.000 1 444 147 147 GLY N N 106.355 0.000 1 445 148 148 GLY H H 8.827 0.000 1 446 148 148 GLY CA C 47.71 0.000 1 447 148 148 GLY N N 107.705 0.000 1 448 149 149 ALA H H 8.271 0.000 1 449 149 149 ALA CA C 55.16 0.000 1 450 149 149 ALA CB C 18.01 0.000 1 451 149 149 ALA N N 124.849 0.000 1 452 150 150 LEU H H 8.221 0.000 1 453 150 150 LEU CA C 57.31 0.000 1 454 150 150 LEU CB C 39.15 0.000 1 455 150 150 LEU N N 119.213 0.000 1 456 154 154 SER H H 7.682 0.000 1 457 154 154 SER CA C 63.31 0.000 1 458 154 154 SER N N 113.804 0.000 1 459 155 155 VAL H H 7.391 0.000 1 460 155 155 VAL CA C 66.72 0.000 1 461 155 155 VAL CB C 30.78 0.000 1 462 155 155 VAL N N 121.020 0.000 1 463 156 156 ASP H H 8.318 0.000 1 464 156 156 ASP N N 123.070 0.000 1 465 157 157 LYS H H 7.605 0.000 1 466 157 157 LYS CA C 55.61 0.000 1 467 157 157 LYS CB C 32.10 0.000 1 468 157 157 LYS N N 116.147 0.000 1 469 158 158 GLU H H 7.900 0.000 1 470 158 158 GLU CA C 57.74 0.000 1 471 158 158 GLU CB C 26.31 0.000 1 472 158 158 GLU N N 114.182 0.000 1 473 159 159 MET H H 8.462 0.000 1 474 159 159 MET CA C 53.62 0.000 1 475 159 159 MET CB C 32.11 0.000 1 476 159 159 MET N N 119.144 0.000 1 477 160 160 GLN H H 8.713 0.000 1 478 160 160 GLN CA C 60.07 0.000 1 479 160 160 GLN CB C 27.43 0.000 1 480 160 160 GLN N N 119.704 0.000 1 481 161 161 VAL H H 7.947 0.000 1 482 161 161 VAL CA C 63.68 0.000 1 483 161 161 VAL CB C 31.02 0.000 1 484 161 161 VAL N N 117.256 0.000 1 485 162 162 LEU H H 7.806 0.000 1 486 162 162 LEU CA C 57.76 0.000 1 487 162 162 LEU CB C 41.15 0.000 1 488 162 162 LEU N N 117.376 0.000 1 489 163 163 VAL H H 7.446 0.000 1 490 163 163 VAL CA C 67.80 0.000 1 491 163 163 VAL CB C 30.25 0.000 1 492 163 163 VAL N N 120.101 0.000 1 493 164 164 SER H H 8.225 0.000 1 494 164 164 SER CA C 61.27 0.000 1 495 164 164 SER CB C 62.47 0.000 1 496 164 164 SER N N 111.135 0.000 1 497 165 165 ARG H H 6.636 0.000 1 498 165 165 ARG CA C 58.76 0.000 1 499 165 165 ARG CB C 29.67 0.000 1 500 165 165 ARG N N 123.266 0.000 1 501 167 167 ALA H H 7.690 0.000 1 502 167 167 ALA CA C 55.01 0.000 1 503 167 167 ALA CB C 18.12 0.000 1 504 167 167 ALA N N 119.644 0.000 1 505 168 168 ALA H H 7.299 0.000 1 506 168 168 ALA CA C 55.30 0.000 1 507 168 168 ALA CB C 17.64 0.000 1 508 168 168 ALA N N 120.813 0.000 1 509 169 169 TRP H H 8.999 0.000 1 510 169 169 TRP CA C 57.83 0.000 1 511 169 169 TRP CB C 28.75 0.000 1 512 169 169 TRP N N 121.616 0.000 1 513 170 170 MET H H 8.972 0.000 1 514 170 170 MET CA C 60.22 0.000 1 515 170 170 MET N N 117.507 0.000 1 516 171 171 ALA H H 8.231 0.000 1 517 171 171 ALA N N 120.967 0.000 1 518 172 172 THR H H 8.568 0.000 1 519 172 172 THR CA C 67.22 0.000 1 520 172 172 THR CB C 69.06 0.000 1 521 172 172 THR N N 116.978 0.000 1 522 173 173 TYR H H 8.888 0.000 1 523 173 173 TYR CA C 63.49 0.000 1 524 173 173 TYR N N 123.658 0.000 1 525 174 174 LEU H H 8.782 0.000 1 526 174 174 LEU CA C 59.39 0.000 1 527 174 174 LEU CB C 42.86 0.000 1 528 174 174 LEU N N 119.793 0.000 1 529 175 175 ASN H H 8.433 0.000 1 530 175 175 ASN CA C 56.79 0.000 1 531 175 175 ASN CB C 38.59 0.000 1 532 175 175 ASN N N 117.572 0.000 1 533 177 177 HIS H H 8.127 0.000 1 534 177 177 HIS CA C 56.65 0.000 1 535 177 177 HIS CB C 30.63 0.000 1 536 177 177 HIS N N 111.995 0.000 1 537 178 178 LEU H H 7.196 0.000 1 538 178 178 LEU CA C 55.57 0.000 1 539 178 178 LEU CB C 43.16 0.000 1 540 178 178 LEU N N 117.193 0.000 1 541 179 179 GLU H H 8.661 0.000 1 542 179 179 GLU CA C 60.72 0.000 1 543 179 179 GLU CB C 27.58 0.000 1 544 179 179 GLU N N 121.864 0.000 1 545 181 181 TRP H H 7.088 0.000 1 546 181 181 TRP CA C 62.13 0.000 1 547 181 181 TRP CB C 28.65 0.000 1 548 181 181 TRP N N 118.106 0.000 1 549 182 182 ILE H H 8.438 0.000 1 550 182 182 ILE CA C 66.17 0.000 1 551 182 182 ILE CB C 37.98 0.000 1 552 182 182 ILE N N 122.545 0.000 1 553 183 183 GLN H H 8.414 0.000 1 554 183 183 GLN CA C 58.48 0.000 1 555 183 183 GLN CB C 27.88 0.000 1 556 183 183 GLN N N 116.594 0.000 1 557 184 184 GLU H H 7.525 0.000 1 558 184 184 GLU N N 119.092 0.000 1 559 185 185 ASN H H 7.132 0.000 1 560 185 185 ASN CA C 53.58 0.000 1 561 185 185 ASN CB C 37.98 0.000 1 562 185 185 ASN N N 117.042 0.000 1 563 186 186 GLY H H 7.410 0.000 1 564 186 186 GLY CA C 45.69 0.000 1 565 186 186 GLY N N 105.260 0.000 1 566 187 187 GLY H H 8.502 0.000 1 567 187 187 GLY CA C 44.45 0.000 1 568 187 187 GLY N N 108.547 0.000 1 569 188 188 TRP H H 8.684 0.000 1 570 188 188 TRP CA C 60.33 0.000 1 571 188 188 TRP CB C 29.66 0.000 1 572 188 188 TRP N N 118.271 0.000 1 573 189 189 ASP H H 8.882 0.000 1 574 189 189 ASP CA C 57.83 0.000 1 575 189 189 ASP CB C 40.35 0.000 1 576 189 189 ASP N N 117.843 0.000 1 577 190 190 THR H H 7.496 0.000 1 578 190 190 THR CA C 66.35 0.000 1 579 190 190 THR CB C 68.42 0.000 1 580 190 190 THR N N 116.422 0.000 1 581 191 191 PHE H H 6.584 0.000 1 582 191 191 PHE CA C 61.74 0.000 1 583 191 191 PHE N N 122.122 0.000 1 584 192 192 VAL H H 7.806 0.000 1 585 192 192 VAL CA C 66.75 0.000 1 586 192 192 VAL CB C 30.99 0.000 1 587 192 192 VAL N N 117.376 0.000 1 588 193 193 GLU H H 7.518 0.000 1 589 193 193 GLU CA C 59.15 0.000 1 590 193 193 GLU CB C 29.29 0.000 1 591 193 193 GLU N N 120.500 0.000 1 592 194 194 LEU H H 7.608 0.000 1 593 194 194 LEU CA C 56.78 0.000 1 594 194 194 LEU CB C 43.81 0.000 1 595 194 194 LEU N N 117.268 0.000 1 596 195 195 TYR H H 8.125 0.000 1 597 195 195 TYR CA C 59.46 0.000 1 598 195 195 TYR CB C 39.06 0.000 1 599 195 195 TYR N N 115.537 0.000 1 600 196 196 GLY H H 8.076 0.000 1 601 196 196 GLY CA C 45.57 0.000 1 602 196 196 GLY N N 108.583 0.000 1 603 197 197 ASN H H 8.405 0.000 1 604 197 197 ASN CA C 53.78 0.000 1 605 197 197 ASN CB C 38.57 0.000 1 606 197 197 ASN N N 118.552 0.000 1 607 198 198 ASN H H 8.390 0.000 1 608 198 198 ASN CA C 55.17 0.000 1 609 198 198 ASN CB C 38.66 0.000 1 610 198 198 ASN N N 119.166 0.000 1 611 199 199 ALA H H 8.121 0.000 1 612 199 199 ALA CA C 53.21 0.000 1 613 199 199 ALA CB C 19.18 0.000 1 614 199 199 ALA N N 123.502 0.000 1 615 200 200 ALA H H 8.091 0.000 1 616 200 200 ALA CA C 53.24 0.000 1 617 200 200 ALA CB C 18.57 0.000 1 618 200 200 ALA N N 121.753 0.000 1 619 201 201 ALA H H 7.996 0.000 1 620 201 201 ALA CA C 53.67 0.000 1 621 201 201 ALA CB C 18.64 0.000 1 622 201 201 ALA N N 122.517 0.000 1 623 202 202 GLU H H 8.282 0.000 1 624 202 202 GLU CA C 57.88 0.000 1 625 202 202 GLU CB C 29.59 0.000 1 626 202 202 GLU N N 118.540 0.000 1 627 203 203 SER H H 8.041 0.000 1 628 203 203 SER CA C 59.24 0.000 1 629 203 203 SER CB C 63.47 0.000 1 630 203 203 SER N N 115.223 0.000 1 631 204 204 ARG H H 7.983 0.000 1 632 204 204 ARG CA C 56.75 0.000 1 633 204 204 ARG CB C 30.40 0.000 1 634 204 204 ARG N N 121.801 0.000 1 635 205 205 LYS H H 8.230 0.000 1 636 205 205 LYS CA C 57.14 0.000 1 637 205 205 LYS CB C 32.66 0.000 1 638 205 205 LYS N N 121.560 0.000 1 639 206 206 GLY H H 8.403 0.000 1 640 206 206 GLY CA C 45.58 0.000 1 641 206 206 GLY N N 109.571 0.000 1 642 208 208 GLU H H 8.487 0.000 1 643 208 208 GLU CA C 57.19 0.000 1 644 208 208 GLU CB C 29.71 0.000 1 645 208 208 GLU N N 121.616 0.000 1 646 211 211 ASN CA C 53.24 0.000 1 647 211 211 ASN CB C 39.08 0.000 1 648 212 212 ARG H H 7.760 0.000 1 649 212 212 ARG CA C 57.43 0.000 1 650 212 212 ARG CB C 31.44 0.000 1 651 212 212 ARG N N 125.781 0.000 1 stop_ save_