data_25710 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of high-density lipoprotein particles ; _BMRB_accession_number 25710 _BMRB_flat_file_name bmr25710.str _Entry_type original _Submission_date 2015-07-15 _Accession_date 2015-07-15 _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 Bibow Stefan . . 2 Polyhach Yevhen . . 3 Eichmann Cedric . . 4 Chi Celestine N. . 5 Kowal Julia . . 6 Stahlberg Henning . . 7 Jeschke Gunnar . . 8 Guentert Peter . . 9 Riek Roland . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 149 "13C chemical shifts" 391 "15N chemical shifts" 149 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-21 update BMRB 'update entry citation' 2016-12-15 original author 'original release' stop_ _Original_release_date 2015-08-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of discoidal high-density lipoprotein particles with a shortened apolipoprotein A-I ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28024148 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bibow Stefan . . 2 Polyhach Yevhen . . 3 Eichmann Cedric . . 4 Chi Celestine N. . 5 Kowal Julia . . 6 Albiez Stefan . . 7 McLeod Robert A. . 8 Stahlberg Henning . . 9 Jeschke Gunnar . . 10 Guntert Peter . . 11 Riek Roland . . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_name_full 'Nature structural & molecular biology' _Journal_volume 24 _Journal_issue 2 _Journal_ISSN 1545-9985 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 187 _Page_last 193 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'high-density lipoprotein particles' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity entity_2 $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 19462.148 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; STFSKLREQLGPVTQEFWDN LEKETEGLRQEMSKDLEEVK AKVQPYLDDFQKKWQEEMEL YRQKVEPLGEEMRDRARAHV DALRTHLAPYSDELRQRLAA RLEALKENGGARLAEYHAKA TEHLSTLSEKAKPALEDLRQ GLLPVLESFKVSFLSALEEY TKKLNTQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 55 SER 2 56 THR 3 57 PHE 4 58 SER 5 59 LYS 6 60 LEU 7 61 ARG 8 62 GLU 9 63 GLN 10 64 LEU 11 65 GLY 12 66 PRO 13 67 VAL 14 68 THR 15 69 GLN 16 70 GLU 17 71 PHE 18 72 TRP 19 73 ASP 20 74 ASN 21 75 LEU 22 76 GLU 23 77 LYS 24 78 GLU 25 79 THR 26 80 GLU 27 81 GLY 28 82 LEU 29 83 ARG 30 84 GLN 31 85 GLU 32 86 MET 33 87 SER 34 88 LYS 35 89 ASP 36 90 LEU 37 91 GLU 38 92 GLU 39 93 VAL 40 94 LYS 41 95 ALA 42 96 LYS 43 97 VAL 44 98 GLN 45 99 PRO 46 100 TYR 47 101 LEU 48 102 ASP 49 103 ASP 50 104 PHE 51 105 GLN 52 106 LYS 53 107 LYS 54 108 TRP 55 109 GLN 56 110 GLU 57 111 GLU 58 112 MET 59 113 GLU 60 114 LEU 61 115 TYR 62 116 ARG 63 117 GLN 64 118 LYS 65 119 VAL 66 120 GLU 67 143 PRO 68 144 LEU 69 145 GLY 70 146 GLU 71 147 GLU 72 148 MET 73 149 ARG 74 150 ASP 75 151 ARG 76 152 ALA 77 153 ARG 78 154 ALA 79 155 HIS 80 156 VAL 81 157 ASP 82 158 ALA 83 159 LEU 84 160 ARG 85 161 THR 86 162 HIS 87 163 LEU 88 164 ALA 89 165 PRO 90 166 TYR 91 167 SER 92 168 ASP 93 169 GLU 94 170 LEU 95 171 ARG 96 172 GLN 97 173 ARG 98 174 LEU 99 175 ALA 100 176 ALA 101 177 ARG 102 178 LEU 103 179 GLU 104 180 ALA 105 181 LEU 106 182 LYS 107 183 GLU 108 184 ASN 109 185 GLY 110 186 GLY 111 187 ALA 112 188 ARG 113 189 LEU 114 190 ALA 115 191 GLU 116 192 TYR 117 193 HIS 118 194 ALA 119 195 LYS 120 196 ALA 121 197 THR 122 198 GLU 123 199 HIS 124 200 LEU 125 201 SER 126 202 THR 127 203 LEU 128 204 SER 129 205 GLU 130 206 LYS 131 207 ALA 132 208 LYS 133 209 PRO 134 210 ALA 135 211 LEU 136 212 GLU 137 213 ASP 138 214 LEU 139 215 ARG 140 216 GLN 141 217 GLY 142 218 LEU 143 219 LEU 144 220 PRO 145 221 VAL 146 222 LEU 147 223 GLU 148 224 SER 149 225 PHE 150 226 LYS 151 227 VAL 152 228 SER 153 229 PHE 154 230 LEU 155 231 SER 156 232 ALA 157 233 LEU 158 234 GLU 159 235 GLU 160 236 TYR 161 237 THR 162 238 LYS 163 239 LYS 164 240 LEU 165 241 ASN 166 242 THR 167 243 GLN 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 $entity 'E. coli' 562 Bacteria . Escherichia coli 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 $entity 'recombinant technology' . Escherichia coli . pet28a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity 0.75 mM 0.5 1.0 '[U-99% 13C; U-99% 15N]' $entity 1 mM . . 'stereospecific Methyl-labeling' $entity 1 mM . . 'selective unlabeling' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_Cyana _Saveframe_category software _Name Cyana _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_900 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_600 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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' 100 . mM pH 7.4 . pH pressure 1 . atm temperature 316 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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 HNCO' '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 entity_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 57 3 PHE C C 174.645 . . 2 58 4 SER H H 8.2 . . 3 58 4 SER C C 174.183 . . 4 58 4 SER CA C 61.882 . . 5 58 4 SER N N 115.491 . . 6 59 5 LYS H H 7.965 . . 7 59 5 LYS C C 176.404 . . 8 59 5 LYS CA C 58.188 . . 9 59 5 LYS CB C 29.6 . . 10 59 5 LYS N N 122.266 . . 11 60 6 LEU H H 7.918 . . 12 60 6 LEU C C 176.151 . . 13 60 6 LEU CA C 57.944 . . 14 60 6 LEU CB C 40.67 . . 15 60 6 LEU N N 119.8 . . 16 61 7 ARG H H 8.165 . . 17 61 7 ARG C C 176.448 . . 18 61 7 ARG CA C 58.448 . . 19 61 7 ARG N N 118.521 . . 20 62 8 GLU H H 7.948 . . 21 62 8 GLU C C 176.377 . . 22 62 8 GLU CA C 58.925 . . 23 62 8 GLU CB C 26.25 . . 24 62 8 GLU N N 118.918 . . 25 63 9 GLN H H 7.978 . . 26 63 9 GLN C C 175.056 . . 27 63 9 GLN CA C 57.235 . . 28 63 9 GLN CB C 28.3 . . 29 63 9 GLN N N 116.756 . . 30 64 10 LEU H H 8.083 . . 31 64 10 LEU C C 175.874 . . 32 64 10 LEU CA C 55.418 . . 33 64 10 LEU CB C 41.46 . . 34 64 10 LEU N N 116.627 . . 35 65 11 GLY H H 8.134 . . 36 65 11 GLY CA C 47.72 . . 37 65 11 GLY N N 109.327 . . 38 66 12 PRO C C 176.794 . . 39 66 12 PRO CA C 65.428 . . 40 67 13 VAL H H 7.466 . . 41 67 13 VAL C C 175.404 . . 42 67 13 VAL CA C 65.053 . . 43 67 13 VAL CB C 30.99 . . 44 67 13 VAL N N 116.1 . . 45 68 14 THR H H 8.148 . . 46 68 14 THR C C 173.772 . . 47 68 14 THR CA C 66.084 . . 48 68 14 THR CB C 67.3 . . 49 68 14 THR N N 115.202 . . 50 69 15 GLN H H 8.313 . . 51 69 15 GLN C C 175.243 . . 52 69 15 GLN CA C 59.032 . . 53 69 15 GLN CB C 27.6 . . 54 69 15 GLN N N 122.076 . . 55 70 16 GLU H H 8.054 . . 56 70 16 GLU C C 177.135 . . 57 70 16 GLU CA C 58.281 . . 58 70 16 GLU CB C 28.27 . . 59 70 16 GLU N N 119.382 . . 60 71 17 PHE H H 8.275 . . 61 71 17 PHE C C 174.603 . . 62 71 17 PHE CA C 61.59 . . 63 71 17 PHE CB C 39.16 . . 64 71 17 PHE N N 121.419 . . 65 72 18 TRP H H 8.397 . . 66 72 18 TRP C C 175.427 . . 67 72 18 TRP CA C 59.945 . . 68 72 18 TRP CB C 29.1 . . 69 72 18 TRP N N 120.489 . . 70 73 19 ASP H H 8.85 . . 71 73 19 ASP C C 176.891 . . 72 73 19 ASP CA C 57.384 . . 73 73 19 ASP CB C 39.84 . . 74 73 19 ASP N N 119.582 . . 75 74 20 ASN H H 8.182 . . 76 74 20 ASN C C 174.589 . . 77 74 20 ASN CA C 56.169 . . 78 74 20 ASN N N 118.204 . . 79 75 21 LEU H H 8.203 . . 80 75 21 LEU C C 177.214 . . 81 75 21 LEU CA C 57.862 . . 82 75 21 LEU CB C 40.4 . . 83 75 21 LEU N N 122.29 . . 84 76 22 GLU H H 8.51 . . 85 76 22 GLU C C 176.374 . . 86 76 22 GLU CA C 59.835 . . 87 76 22 GLU CB C 28.24 . . 88 76 22 GLU N N 121.591 . . 89 77 23 LYS H H 7.883 . . 90 77 23 LYS C C 177.835 . . 91 77 23 LYS CA C 59.22 . . 92 77 23 LYS CB C 31.4 . . 93 77 23 LYS N N 119.498 . . 94 78 24 GLU H H 8.494 . . 95 78 24 GLU CA C 57.979 . . 96 78 24 GLU CB C 28.5 . . 97 78 24 GLU N N 117.968 . . 98 79 25 THR C C 172.804 . . 99 79 25 THR CA C 63.505 . . 100 80 26 GLU H H 7.779 . . 101 80 26 GLU C C 176.023 . . 102 80 26 GLU CA C 59.811 . . 103 80 26 GLU CB C 28.38 . . 104 80 26 GLU N N 124.888 . . 105 81 27 GLY H H 8.425 . . 106 81 27 GLY C C 173.86 . . 107 81 27 GLY CA C 46.828 . . 108 81 27 GLY N N 107.988 . . 109 82 28 LEU H H 7.978 . . 110 82 28 LEU C C 176.341 . . 111 82 28 LEU CA C 57.446 . . 112 82 28 LEU CB C 41.24 . . 113 82 28 LEU N N 123.241 . . 114 83 29 ARG H H 8.566 . . 115 83 29 ARG CA C 60.136 . . 116 83 29 ARG CB C 28.91 . . 117 83 29 ARG N N 118.722 . . 118 84 30 GLN C C 174.576 . . 119 85 31 GLU H H 8.504 . . 120 85 31 GLU C C 176.257 . . 121 85 31 GLU CA C 59.273 . . 122 85 31 GLU CB C 28.22 . . 123 85 31 GLU N N 117.829 . . 124 86 32 MET H H 8.517 . . 125 86 32 MET C C 175.706 . . 126 86 32 MET CA C 58.572 . . 127 86 32 MET N N 116.8 . . 128 87 33 SER H H 8.159 . . 129 87 33 SER C C 174.09 . . 130 87 33 SER CA C 62.185 . . 131 87 33 SER N N 114.432 . . 132 88 34 LYS H H 7.672 . . 133 88 34 LYS C C 176.615 . . 134 88 34 LYS CA C 59.168 . . 135 88 34 LYS CB C 30.74 . . 136 88 34 LYS N N 122.572 . . 137 89 35 ASP H H 8.097 . . 138 89 35 ASP C C 176.034 . . 139 89 35 ASP CA C 57.582 . . 140 89 35 ASP CB C 40.07 . . 141 89 35 ASP N N 120.745 . . 142 90 36 LEU H H 8.248 . . 143 90 36 LEU C C 176.687 . . 144 90 36 LEU CA C 57.848 . . 145 90 36 LEU CB C 40.1 . . 146 90 36 LEU N N 119.157 . . 147 91 37 GLU H H 8.307 . . 148 91 37 GLU C C 176.742 . . 149 91 37 GLU CA C 58.984 . . 150 91 37 GLU CB C 28.7 . . 151 91 37 GLU N N 121.451 . . 152 92 38 GLU H H 8.167 . . 153 92 38 GLU C C 176.709 . . 154 92 38 GLU CA C 58.894 . . 155 92 38 GLU CB C 28.35 . . 156 92 38 GLU N N 120.176 . . 157 93 39 VAL H H 8.188 . . 158 93 39 VAL C C 175.297 . . 159 93 39 VAL CA C 66.214 . . 160 93 39 VAL CB C 30.8 . . 161 93 39 VAL N N 118.923 . . 162 94 40 LYS H H 8.497 . . 163 94 40 LYS C C 175.565 . . 164 94 40 LYS CA C 60.424 . . 165 94 40 LYS N N 120.013 . . 166 95 41 ALA H H 7.719 . . 167 95 41 ALA C C 177.868 . . 168 95 41 ALA CA C 54.425 . . 169 95 41 ALA CB C 17.25 . . 170 95 41 ALA N N 118.713 . . 171 96 42 LYS H H 7.728 . . 172 96 42 LYS CA C 57.637 . . 173 96 42 LYS N N 116.115 . . 174 99 45 PRO C C 176.802 . . 175 99 45 PRO CA C 65.946 . . 176 100 46 TYR H H 7.348 . . 177 100 46 TYR C C 175.26 . . 178 100 46 TYR CA C 60.36 . . 179 100 46 TYR N N 116.081 . . 180 101 47 LEU H H 7.988 . . 181 101 47 LEU C C 176.759 . . 182 101 47 LEU CA C 57.582 . . 183 101 47 LEU N N 120.5 . . 184 102 48 ASP H H 8.608 . . 185 102 48 ASP C C 176.401 . . 186 102 48 ASP CA C 57.151 . . 187 102 48 ASP CB C 40.07 . . 188 102 48 ASP N N 120.49 . . 189 103 49 ASP H H 7.677 . . 190 103 49 ASP C C 175.708 . . 191 103 49 ASP CA C 57.26 . . 192 103 49 ASP CB C 40.55 . . 193 103 49 ASP N N 120.918 . . 194 104 50 PHE H H 8.571 . . 195 104 50 PHE C C 173.268 . . 196 104 50 PHE CA C 61.361 . . 197 104 50 PHE N N 120.519 . . 198 105 51 GLN H H 7.944 . . 199 105 51 GLN C C 175.749 . . 200 105 51 GLN CA C 57.026 . . 201 105 51 GLN CB C 29.5 . . 202 105 51 GLN N N 122.603 . . 203 106 52 LYS H H 7.642 . . 204 106 52 LYS C C 176.851 . . 205 106 52 LYS CA C 58.825 . . 206 106 52 LYS CB C 31.14 . . 207 106 52 LYS N N 119.425 . . 208 107 53 LYS H H 7.946 . . 209 107 53 LYS C C 176.424 . . 210 107 53 LYS CA C 57.811 . . 211 107 53 LYS CB C 31.2 . . 212 107 53 LYS N N 120.133 . . 213 108 54 TRP H H 8.253 . . 214 108 54 TRP C C 175.112 . . 215 108 54 TRP CA C 58.576 . . 216 108 54 TRP CB C 28.88 . . 217 108 54 TRP N N 118.987 . . 218 109 55 GLN H H 7.962 . . 219 109 55 GLN C C 176.998 . . 220 109 55 GLN CA C 58.979 . . 221 109 55 GLN CB C 28.28 . . 222 109 55 GLN N N 117.114 . . 223 110 56 GLU H H 8.066 . . 224 110 56 GLU C C 175.93 . . 225 110 56 GLU CA C 59.313 . . 226 110 56 GLU CB C 28.7 . . 227 110 56 GLU N N 120.173 . . 228 111 57 GLU H H 7.71 . . 229 111 57 GLU C C 177.106 . . 230 111 57 GLU CA C 59.13 . . 231 111 57 GLU CB C 28.77 . . 232 111 57 GLU N N 119.343 . . 233 112 58 MET H H 8.373 . . 234 112 58 MET C C 176.259 . . 235 112 58 MET CA C 57.825 . . 236 112 58 MET N N 118.321 . . 237 113 59 GLU H H 7.646 . . 238 113 59 GLU C C 176.245 . . 239 113 59 GLU CA C 58.758 . . 240 113 59 GLU N N 119.756 . . 241 114 60 LEU H H 7.753 . . 242 114 60 LEU C C 176.16 . . 243 114 60 LEU CA C 57.836 . . 244 114 60 LEU CB C 40.6 . . 245 114 60 LEU N N 121.282 . . 246 115 61 TYR H H 8.468 . . 247 115 61 TYR C C 175.689 . . 248 115 61 TYR CA C 58.448 . . 249 115 61 TYR N N 121.3 . . 250 116 62 ARG H H 8.603 . . 251 116 62 ARG C C 175.4 . . 252 116 62 ARG CA C 60.298 . . 253 116 62 ARG CB C 30.8 . . 254 116 62 ARG N N 121.425 . . 255 117 63 GLN H H 7.969 . . 256 117 63 GLN CA C 57.606 . . 257 117 63 GLN CB C 28.16 . . 258 117 63 GLN N N 114.687 . . 259 119 65 VAL C C 174.042 . . 260 119 65 VAL CA C 64.397 . . 261 120 66 GLU H H 8.277 . . 262 120 66 GLU CA C 57.277 . . 263 120 66 GLU CB C 28.01 . . 264 120 66 GLU N N 121.437 . . 265 143 67 PRO C C 177.356 . . 266 143 67 PRO CA C 65.49 . . 267 144 68 LEU H H 6.959 . . 268 144 68 LEU C C 176.51 . . 269 144 68 LEU CA C 57.052 . . 270 144 68 LEU CB C 40.78 . . 271 144 68 LEU N N 119.198 . . 272 145 69 GLY H H 8.592 . . 273 145 69 GLY C C 172.861 . . 274 145 69 GLY CA C 47.371 . . 275 145 69 GLY N N 107.31 . . 276 146 70 GLU H H 8.05 . . 277 146 70 GLU C C 175.645 . . 278 146 70 GLU CA C 59.346 . . 279 146 70 GLU CB C 28.67 . . 280 146 70 GLU N N 121.094 . . 281 147 71 GLU H H 7.821 . . 282 147 71 GLU C C 176.931 . . 283 147 71 GLU CA C 59.14 . . 284 147 71 GLU CB C 28.62 . . 285 147 71 GLU N N 119.868 . . 286 148 72 MET H H 8.528 . . 287 148 72 MET C C 175.449 . . 288 148 72 MET CA C 59.405 . . 289 148 72 MET N N 118.13 . . 290 149 73 ARG H H 8.369 . . 291 149 73 ARG C C 175.618 . . 292 149 73 ARG CA C 59.826 . . 293 149 73 ARG CB C 28.6 . . 294 149 73 ARG N N 119.921 . . 295 150 74 ASP H H 8.199 . . 296 150 74 ASP C C 177.199 . . 297 150 74 ASP CA C 57.447 . . 298 150 74 ASP CB C 39.5 . . 299 150 74 ASP N N 120.137 . . 300 151 75 ARG H H 8.454 . . 301 151 75 ARG C C 176.35 . . 302 151 75 ARG CA C 58.434 . . 303 151 75 ARG CB C 28.28 . . 304 151 75 ARG N N 121.013 . . 305 152 76 ALA H H 8.629 . . 306 152 76 ALA C C 176.883 . . 307 152 76 ALA CA C 55.48 . . 308 152 76 ALA N N 122.002 . . 309 153 77 ARG H H 8.411 . . 310 153 77 ARG C C 175.814 . . 311 153 77 ARG CA C 59.289 . . 312 153 77 ARG CB C 29 . . 313 153 77 ARG N N 117.349 . . 314 154 78 ALA H H 7.867 . . 315 154 78 ALA C C 179.103 . . 316 154 78 ALA CA C 54.91 . . 317 154 78 ALA N N 121.601 . . 318 155 79 HIS H H 8.168 . . 319 155 79 HIS C C 176.712 . . 320 155 79 HIS CA C 59.547 . . 321 155 79 HIS N N 119.084 . . 322 156 80 VAL H H 8.405 . . 323 156 80 VAL C C 175.154 . . 324 156 80 VAL CA C 66.929 . . 325 156 80 VAL N N 120.767 . . 326 157 81 ASP H H 8.693 . . 327 157 81 ASP C C 176.629 . . 328 157 81 ASP CA C 57.626 . . 329 157 81 ASP CB C 39.94 . . 330 157 81 ASP N N 121.03 . . 331 158 82 ALA H H 8.144 . . 332 158 82 ALA C C 177.629 . . 333 158 82 ALA CA C 55.029 . . 334 158 82 ALA CB C 17.6 . . 335 158 82 ALA N N 123.014 . . 336 159 83 LEU H H 8.096 . . 337 159 83 LEU C C 176.278 . . 338 159 83 LEU CA C 57.859 . . 339 159 83 LEU N N 120.304 . . 340 160 84 ARG H H 8.642 . . 341 160 84 ARG C C 175.997 . . 342 160 84 ARG CA C 59.96 . . 343 160 84 ARG N N 118.666 . . 344 161 85 THR H H 8.262 . . 345 161 85 THR C C 173.963 . . 346 161 85 THR CA C 66.227 . . 347 161 85 THR N N 114.593 . . 348 162 86 HIS H H 8.068 . . 349 162 86 HIS C C 174.529 . . 350 162 86 HIS CA C 58.749 . . 351 162 86 HIS N N 118.6 . . 352 163 87 LEU H H 8.159 . . 353 163 87 LEU C C 175.443 . . 354 163 87 LEU CA C 55.213 . . 355 163 87 LEU N N 114.677 . . 356 164 88 ALA H H 8.002 . . 357 164 88 ALA CA C 56.1 . . 358 164 88 ALA N N 123.049 . . 359 165 89 PRO C C 175.636 . . 360 165 89 PRO CA C 65.402 . . 361 166 90 TYR H H 7.508 . . 362 166 90 TYR C C 174.383 . . 363 166 90 TYR CA C 58.287 . . 364 166 90 TYR N N 115.589 . . 365 167 91 SER H H 8.159 . . 366 167 91 SER C C 173.527 . . 367 167 91 SER CA C 62.231 . . 368 167 91 SER N N 116.138 . . 369 168 92 ASP H H 8.242 . . 370 168 92 ASP C C 176.636 . . 371 168 92 ASP CA C 57.287 . . 372 168 92 ASP N N 121.548 . . 373 169 93 GLU H H 8.024 . . 374 169 93 GLU C C 176.311 . . 375 169 93 GLU CA C 59.434 . . 376 169 93 GLU N N 121.001 . . 377 170 94 LEU H H 7.949 . . 378 170 94 LEU C C 175.329 . . 379 170 94 LEU CA C 57.447 . . 380 170 94 LEU CB C 40.07 . . 381 170 94 LEU N N 122.621 . . 382 171 95 ARG H H 8.362 . . 383 171 95 ARG C C 175.363 . . 384 171 95 ARG CA C 60.234 . . 385 171 95 ARG N N 118.877 . . 386 172 96 GLN H H 8.122 . . 387 172 96 GLN C C 176.68 . . 388 172 96 GLN CA C 58.842 . . 389 172 96 GLN CB C 27.8 . . 390 172 96 GLN N N 118.234 . . 391 173 97 ARG H H 8.331 . . 392 173 97 ARG C C 176.605 . . 393 173 97 ARG CA C 58.868 . . 394 173 97 ARG N N 120.838 . . 395 174 98 LEU H H 8.471 . . 396 174 98 LEU C C 176.035 . . 397 174 98 LEU CA C 57.46 . . 398 174 98 LEU N N 119.18 . . 399 175 99 ALA H H 8.388 . . 400 175 99 ALA C C 177.688 . . 401 175 99 ALA CA C 55.244 . . 402 175 99 ALA CB C 17.05 . . 403 175 99 ALA N N 120.971 . . 404 176 100 ALA H H 7.952 . . 405 176 100 ALA C C 178.98 . . 406 176 100 ALA CA C 54.748 . . 407 176 100 ALA CB C 17.17 . . 408 176 100 ALA N N 120.048 . . 409 177 101 ARG H H 8.115 . . 410 177 101 ARG C C 176.315 . . 411 177 101 ARG CA C 57.691 . . 412 177 101 ARG N N 119.046 . . 413 178 102 LEU H H 8.436 . . 414 178 102 LEU C C 176.209 . . 415 178 102 LEU CA C 57.404 . . 416 178 102 LEU N N 119.687 . . 417 179 103 GLU H H 8.232 . . 418 179 103 GLU C C 176.293 . . 419 179 103 GLU CA C 59.392 . . 420 179 103 GLU N N 119.599 . . 421 180 104 ALA H H 7.713 . . 422 180 104 ALA C C 177.841 . . 423 180 104 ALA CA C 54.669 . . 424 180 104 ALA N N 121.523 . . 425 181 105 LEU H H 8.121 . . 426 181 105 LEU C C 176.463 . . 427 181 105 LEU CA C 57.97 . . 428 181 105 LEU N N 120.081 . . 429 182 106 LYS H H 7.937 . . 430 182 106 LYS C C 176.429 . . 431 182 106 LYS CA C 58 . . 432 182 106 LYS CB C 31.1 . . 433 182 106 LYS N N 120.114 . . 434 183 107 GLU H H 8.833 . . 435 183 107 GLU C C 175.938 . . 436 183 107 GLU CA C 59.647 . . 437 183 107 GLU N N 120.704 . . 438 184 108 ASN H H 8.471 . . 439 184 108 ASN C C 174.95 . . 440 184 108 ASN CA C 55.06 . . 441 184 108 ASN N N 117.725 . . 442 185 109 GLY H H 8.764 . . 443 185 109 GLY C C 172.975 . . 444 185 109 GLY CA C 46.758 . . 445 185 109 GLY N N 108.891 . . 446 186 110 GLY H H 8.312 . . 447 186 110 GLY C C 173.315 . . 448 186 110 GLY CA C 47.212 . . 449 186 110 GLY N N 109.031 . . 450 187 111 ALA H H 7.761 . . 451 187 111 ALA C C 178.014 . . 452 187 111 ALA CA C 54.743 . . 453 187 111 ALA N N 124.025 . . 454 188 112 ARG H H 7.854 . . 455 188 112 ARG CA C 57.614 . . 456 188 112 ARG CB C 28.77 . . 457 188 112 ARG N N 117.951 . . 458 189 113 LEU C C 176.064 . . 459 189 113 LEU CA C 58.318 . . 460 190 114 ALA H H 8.139 . . 461 190 114 ALA C C 178.289 . . 462 190 114 ALA CA C 54.965 . . 463 190 114 ALA CB C 17.29 . . 464 190 114 ALA N N 120.684 . . 465 191 115 GLU H H 7.846 . . 466 191 115 GLU C C 176.921 . . 467 191 115 GLU CA C 59.062 . . 468 191 115 GLU N N 120.37 . . 469 192 116 TYR H H 8.285 . . 470 192 116 TYR C C 175.646 . . 471 192 116 TYR CA C 60.662 . . 472 192 116 TYR CB C 40.4 . . 473 192 116 TYR N N 119.03 . . 474 193 117 HIS H H 8.887 . . 475 193 117 HIS C C 175.387 . . 476 193 117 HIS CA C 60.111 . . 477 193 117 HIS CB C 30.8 . . 478 193 117 HIS N N 120.206 . . 479 194 118 ALA H H 8.257 . . 480 194 118 ALA C C 178.214 . . 481 194 118 ALA CA C 55.171 . . 482 194 118 ALA CB C 17.1 . . 483 194 118 ALA N N 123.376 . . 484 195 119 LYS H H 8.123 . . 485 195 119 LYS C C 176.276 . . 486 195 119 LYS CA C 58.864 . . 487 195 119 LYS CB C 31.26 . . 488 195 119 LYS N N 118.64 . . 489 196 120 ALA H H 8.726 . . 490 196 120 ALA C C 177.067 . . 491 196 120 ALA CA C 55.23 . . 492 196 120 ALA N N 121.129 . . 493 197 121 THR H H 8.321 . . 494 197 121 THR C C 174.442 . . 495 197 121 THR CA C 66.646 . . 496 197 121 THR CB C 67.79 . . 497 197 121 THR N N 111.945 . . 498 198 122 GLU H H 7.917 . . 499 198 122 GLU C C 176.77 . . 500 198 122 GLU CA C 59.489 . . 501 198 122 GLU CB C 28.28 . . 502 198 122 GLU N N 124.172 . . 503 199 123 HIS H H 8.156 . . 504 199 123 HIS C C 175.835 . . 505 199 123 HIS CA C 59.828 . . 506 199 123 HIS N N 118.678 . . 507 200 124 LEU H H 8.625 . . 508 200 124 LEU C C 176.619 . . 509 200 124 LEU CA C 57.792 . . 510 200 124 LEU N N 119.224 . . 511 201 125 SER H H 8.41 . . 512 201 125 SER CA C 62.006 . . 513 201 125 SER N N 116.211 . . 514 202 126 THR C C 174.046 . . 515 202 126 THR CA C 66.177 . . 516 203 127 LEU H H 8.207 . . 517 203 127 LEU C C 175.983 . . 518 203 127 LEU CA C 57.895 . . 519 203 127 LEU CB C 40.37 . . 520 203 127 LEU N N 122.389 . . 521 204 128 SER H H 8.361 . . 522 204 128 SER C C 173.687 . . 523 204 128 SER CA C 62.279 . . 524 204 128 SER N N 113.997 . . 525 205 129 GLU H H 7.787 . . 526 205 129 GLU C C 176.956 . . 527 205 129 GLU CA C 59.037 . . 528 205 129 GLU CB C 28.41 . . 529 205 129 GLU N N 119.955 . . 530 206 130 LYS H H 7.901 . . 531 206 130 LYS C C 175.611 . . 532 206 130 LYS CA C 57.016 . . 533 206 130 LYS N N 116.791 . . 534 207 131 ALA H H 8.284 . . 535 207 131 ALA C C 174.989 . . 536 207 131 ALA CA C 53.017 . . 537 207 131 ALA N N 119.31 . . 538 208 132 LYS H H 7.761 . . 539 208 132 LYS CA C 60.08 . . 540 208 132 LYS CB C 29 . . 541 208 132 LYS N N 117.989 . . 542 209 133 PRO C C 176.467 . . 543 209 133 PRO CA C 65.876 . . 544 210 134 ALA H H 7.475 . . 545 210 134 ALA C C 178.557 . . 546 210 134 ALA CA C 54.474 . . 547 210 134 ALA N N 119.47 . . 548 211 135 LEU H H 8.362 . . 549 211 135 LEU C C 172.775 . . 550 211 135 LEU CA C 57.454 . . 551 211 135 LEU CB C 40.8 . . 552 211 135 LEU N N 119.764 . . 553 212 136 GLU H H 8.347 . . 554 212 136 GLU C C 176.602 . . 555 212 136 GLU CA C 56.645 . . 556 212 136 GLU N N 121.793 . . 557 213 137 ASP H H 8.253 . . 558 213 137 ASP C C 176.077 . . 559 213 137 ASP CA C 57.207 . . 560 213 137 ASP CB C 39.5 . . 561 213 137 ASP N N 120.857 . . 562 214 138 LEU H H 8.12 . . 563 214 138 LEU C C 176.026 . . 564 214 138 LEU CA C 57.599 . . 565 214 138 LEU CB C 40.37 . . 566 214 138 LEU N N 118.804 . . 567 215 139 ARG H H 8.268 . . 568 215 139 ARG C C 176.03 . . 569 215 139 ARG CA C 57.792 . . 570 215 139 ARG CB C 28.77 . . 571 215 139 ARG N N 119.282 . . 572 216 140 GLN H H 8.306 . . 573 216 140 GLN C C 176.259 . . 574 216 140 GLN CA C 58.03 . . 575 216 140 GLN CB C 28.3 . . 576 216 140 GLN N N 114.918 . . 577 217 141 GLY H H 8.265 . . 578 217 141 GLY C C 173.045 . . 579 217 141 GLY CA C 45.706 . . 580 217 141 GLY N N 105.915 . . 581 218 142 LEU H H 8.43 . . 582 218 142 LEU C C 176.112 . . 583 218 142 LEU CA C 56.844 . . 584 218 142 LEU N N 119.627 . . 585 219 143 LEU H H 7.677 . . 586 219 143 LEU CA C 56.823 . . 587 219 143 LEU N N 118.76 . . 588 220 144 PRO C C 177.295 . . 589 220 144 PRO CA C 65.203 . . 590 221 145 VAL H H 6.784 . . 591 221 145 VAL C C 176.408 . . 592 221 145 VAL CA C 65.221 . . 593 221 145 VAL CB C 31.2 . . 594 221 145 VAL N N 118.367 . . 595 222 146 LEU H H 8.272 . . 596 222 146 LEU C C 176.282 . . 597 222 146 LEU CA C 57.254 . . 598 222 146 LEU CB C 39.52 . . 599 222 146 LEU N N 120.812 . . 600 223 147 GLU H H 8.589 . . 601 223 147 GLU C C 176.142 . . 602 223 147 GLU CA C 59.425 . . 603 223 147 GLU N N 120.064 . . 604 224 148 SER H H 8.013 . . 605 224 148 SER C C 174.659 . . 606 224 148 SER CA C 61.581 . . 607 224 148 SER N N 114.061 . . 608 225 149 PHE H H 8.04 . . 609 225 149 PHE C C 173.725 . . 610 225 149 PHE CA C 61.163 . . 611 225 149 PHE N N 122.202 . . 612 226 150 LYS H H 8.542 . . 613 226 150 LYS C C 175.278 . . 614 226 150 LYS CA C 60.507 . . 615 226 150 LYS CB C 30.87 . . 616 226 150 LYS N N 120.432 . . 617 227 151 VAL H H 8.021 . . 618 227 151 VAL C C 176.992 . . 619 227 151 VAL CA C 66.245 . . 620 227 151 VAL CB C 30.99 . . 621 227 151 VAL N N 116.575 . . 622 228 152 SER H H 8.296 . . 623 228 152 SER C C 176.282 . . 624 228 152 SER CA C 61.881 . . 625 228 152 SER CB C 62.75 . . 626 228 152 SER N N 117.849 . . 627 229 153 PHE H H 8.044 . . 628 229 153 PHE C C 174.336 . . 629 229 153 PHE CA C 61.111 . . 630 229 153 PHE N N 120.191 . . 631 230 154 LEU H H 8.446 . . 632 230 154 LEU C C 177.484 . . 633 230 154 LEU CA C 57.937 . . 634 230 154 LEU N N 118.084 . . 635 231 155 SER H H 8.051 . . 636 231 155 SER C C 174.199 . . 637 231 155 SER CA C 61.677 . . 638 231 155 SER N N 114.829 . . 639 232 156 ALA H H 7.716 . . 640 232 156 ALA C C 177.322 . . 641 232 156 ALA CA C 54.577 . . 642 232 156 ALA CB C 16.6 . . 643 232 156 ALA N N 124.7 . . 644 233 157 LEU H H 8.002 . . 645 233 157 LEU CA C 57.017 . . 646 233 157 LEU N N 118.138 . . 647 234 158 GLU C C 176.126 . . 648 235 159 GLU H H 8.065 . . 649 235 159 GLU C C 176.387 . . 650 235 159 GLU CA C 58.697 . . 651 235 159 GLU N N 119.018 . . 652 236 160 TYR H H 8.142 . . 653 236 160 TYR C C 174.764 . . 654 236 160 TYR CA C 60.854 . . 655 236 160 TYR N N 119.368 . . 656 237 161 THR H H 8.274 . . 657 237 161 THR C C 174.268 . . 658 237 161 THR CA C 65.207 . . 659 237 161 THR CB C 68.05 . . 660 237 161 THR N N 110.859 . . 661 238 162 LYS H H 7.875 . . 662 238 162 LYS C C 175.95 . . 663 238 162 LYS CA C 58.648 . . 664 238 162 LYS CB C 31.35 . . 665 238 162 LYS N N 121.987 . . 666 239 163 LYS H H 7.606 . . 667 239 163 LYS C C 175.127 . . 668 239 163 LYS CA C 57.017 . . 669 239 163 LYS CB C 31.05 . . 670 239 163 LYS N N 118.868 . . 671 240 164 LEU H H 7.567 . . 672 240 164 LEU C C 174.642 . . 673 240 164 LEU CA C 55.697 . . 674 240 164 LEU CB C 40.95 . . 675 240 164 LEU N N 119.332 . . 676 241 165 ASN H H 7.86 . . 677 241 165 ASN C C 172.697 . . 678 241 165 ASN CA C 53.171 . . 679 241 165 ASN CB C 38.63 . . 680 241 165 ASN N N 116.948 . . 681 242 166 THR H H 7.898 . . 682 242 166 THR C C 171.166 . . 683 242 166 THR CA C 61.864 . . 684 242 166 THR CB C 69.11 . . 685 242 166 THR N N 114.246 . . 686 243 167 GLN H H 7.941 . . 687 243 167 GLN CA C 57.267 . . 688 243 167 GLN CB C 29.41 . . 689 243 167 GLN N N 127.687 . . stop_ save_