data_11470 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR chemical shift assignments for the cytoplasmic region of the Mg2+-transporter MgtE in the Mg2+ unbound state ; _BMRB_accession_number 11470 _BMRB_flat_file_name bmr11470.str _Entry_type original _Submission_date 2012-01-12 _Accession_date 2012-01-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Maruyama Tatsuro . . 2 Imai Shunsuke . . 3 Osawa Masanori . . 4 Shimada Ichio . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 205 "13C chemical shifts" 602 "15N chemical shifts" 205 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-30 original BMRB . stop_ _Original_release_date 2012-01-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone resonance assignments for the cytoplasmic region of the Mg(2+) transporter MgtE in the Mg (2+)-unbound state ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22477092 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Maruyama Tatsuro . . 2 Imai Shunsuke . . 3 Osawa Masanori . . 4 Hattori Motoyuki . . 5 Ishitani Ryuichi . . 6 Nureki Osamu . . 7 Shimada Ichio . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 93 _Page_last 96 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name homodimer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'The cytoplasmic region of MgtE, chain 1' $MgtECP_dimer 'The cytoplasmic region of MgtE, chain 2' $MgtECP_dimer stop_ _System_molecular_weight 60000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MgtECP_dimer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MgtECP_dimer _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 263 _Mol_residue_sequence ; GPLHMEEKLAVSLQEALQEG DTRALREVLEEIHPQDLLAL WDELKGEHRYVVLTLLPKAK AAEVLSHLSPEEQAEYLKTL PPWRLREILEELSLDDLADA LQAVRKEDPAYFQRLKDLLD PRTRAEVEALARYEEDEAGG LMTPEYVAVREGMTVEEVLR FLRRAAPDAETIYYIYVVDE KGRLKGVLSLRDLIVADPRT RVAEIMNPKVVYVRTDTDQE EVARLMADYDFTVLPVVDEE GRLVGIVTVDDVLDVLEAEA TED ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 PRO 3 -2 LEU 4 -1 HIS 5 1 MET 6 2 GLU 7 3 GLU 8 4 LYS 9 5 LEU 10 6 ALA 11 7 VAL 12 8 SER 13 9 LEU 14 10 GLN 15 11 GLU 16 12 ALA 17 13 LEU 18 14 GLN 19 15 GLU 20 16 GLY 21 17 ASP 22 18 THR 23 19 ARG 24 20 ALA 25 21 LEU 26 22 ARG 27 23 GLU 28 24 VAL 29 25 LEU 30 26 GLU 31 27 GLU 32 28 ILE 33 29 HIS 34 30 PRO 35 31 GLN 36 32 ASP 37 33 LEU 38 34 LEU 39 35 ALA 40 36 LEU 41 37 TRP 42 38 ASP 43 39 GLU 44 40 LEU 45 41 LYS 46 42 GLY 47 43 GLU 48 44 HIS 49 45 ARG 50 46 TYR 51 47 VAL 52 48 VAL 53 49 LEU 54 50 THR 55 51 LEU 56 52 LEU 57 53 PRO 58 54 LYS 59 55 ALA 60 56 LYS 61 57 ALA 62 58 ALA 63 59 GLU 64 60 VAL 65 61 LEU 66 62 SER 67 63 HIS 68 64 LEU 69 65 SER 70 66 PRO 71 67 GLU 72 68 GLU 73 69 GLN 74 70 ALA 75 71 GLU 76 72 TYR 77 73 LEU 78 74 LYS 79 75 THR 80 76 LEU 81 77 PRO 82 78 PRO 83 79 TRP 84 80 ARG 85 81 LEU 86 82 ARG 87 83 GLU 88 84 ILE 89 85 LEU 90 86 GLU 91 87 GLU 92 88 LEU 93 89 SER 94 90 LEU 95 91 ASP 96 92 ASP 97 93 LEU 98 94 ALA 99 95 ASP 100 96 ALA 101 97 LEU 102 98 GLN 103 99 ALA 104 100 VAL 105 101 ARG 106 102 LYS 107 103 GLU 108 104 ASP 109 105 PRO 110 106 ALA 111 107 TYR 112 108 PHE 113 109 GLN 114 110 ARG 115 111 LEU 116 112 LYS 117 113 ASP 118 114 LEU 119 115 LEU 120 116 ASP 121 117 PRO 122 118 ARG 123 119 THR 124 120 ARG 125 121 ALA 126 122 GLU 127 123 VAL 128 124 GLU 129 125 ALA 130 126 LEU 131 127 ALA 132 128 ARG 133 129 TYR 134 130 GLU 135 131 GLU 136 132 ASP 137 133 GLU 138 134 ALA 139 135 GLY 140 136 GLY 141 137 LEU 142 138 MET 143 139 THR 144 140 PRO 145 141 GLU 146 142 TYR 147 143 VAL 148 144 ALA 149 145 VAL 150 146 ARG 151 147 GLU 152 148 GLY 153 149 MET 154 150 THR 155 151 VAL 156 152 GLU 157 153 GLU 158 154 VAL 159 155 LEU 160 156 ARG 161 157 PHE 162 158 LEU 163 159 ARG 164 160 ARG 165 161 ALA 166 162 ALA 167 163 PRO 168 164 ASP 169 165 ALA 170 166 GLU 171 167 THR 172 168 ILE 173 169 TYR 174 170 TYR 175 171 ILE 176 172 TYR 177 173 VAL 178 174 VAL 179 175 ASP 180 176 GLU 181 177 LYS 182 178 GLY 183 179 ARG 184 180 LEU 185 181 LYS 186 182 GLY 187 183 VAL 188 184 LEU 189 185 SER 190 186 LEU 191 187 ARG 192 188 ASP 193 189 LEU 194 190 ILE 195 191 VAL 196 192 ALA 197 193 ASP 198 194 PRO 199 195 ARG 200 196 THR 201 197 ARG 202 198 VAL 203 199 ALA 204 200 GLU 205 201 ILE 206 202 MET 207 203 ASN 208 204 PRO 209 205 LYS 210 206 VAL 211 207 VAL 212 208 TYR 213 209 VAL 214 210 ARG 215 211 THR 216 212 ASP 217 213 THR 218 214 ASP 219 215 GLN 220 216 GLU 221 217 GLU 222 218 VAL 223 219 ALA 224 220 ARG 225 221 LEU 226 222 MET 227 223 ALA 228 224 ASP 229 225 TYR 230 226 ASP 231 227 PHE 232 228 THR 233 229 VAL 234 230 LEU 235 231 PRO 236 232 VAL 237 233 VAL 238 234 ASP 239 235 GLU 240 236 GLU 241 237 GLY 242 238 ARG 243 239 LEU 244 240 VAL 245 241 GLY 246 242 ILE 247 243 VAL 248 244 THR 249 245 VAL 250 246 ASP 251 247 ASP 252 248 VAL 253 249 LEU 254 250 ASP 255 251 VAL 256 252 LEU 257 253 GLU 258 254 ALA 259 255 GLU 260 256 ALA 261 257 THR 262 258 GLU 263 259 ASP 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 $MgtECP_dimer 'Thermus thermophilus' 274 Bacteria . Thermus thermophilus 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 $MgtECP_dimer 'recombinant technology' E.coli Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_U-2H-13C-15N_MgtECP _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MgtECP_dimer 570 uM '[U-13C; U-15N; U-2H]' HEPES 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_U-2H-15N_MgtECP _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MgtECP_dimer 300 uM '[U-2H; U-15N]' HEPES 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_15N_Arg_MgtECP _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MgtECP_dimer 120 uM [U-15N]-Arg HEPES 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_15N_Ile_MgtECP _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MgtECP_dimer 270 uM [U-15N]-Ile HEPES 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_15N_His_MgtECP _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MgtECP_dimer 180 uM [U-15N]-His HEPES 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_15N_Lys_MgtECP _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MgtECP_dimer 120 uM [U-15N]-Lys HEPES 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_U-15N_1-13C_Pro_MgtECP _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MgtECP_dimer 170 uM '[U-15N]; [1-13C]-Pro' HEPES 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_U-15N_1-13C_Gly_MgtECP _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MgtECP_dimer 380 uM '[U-15N]; [1-13C]-Gly' HEPES 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_U-15N_1-13C_Leu_MgtECP _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MgtECP_dimer 570 uM '[U-15N]; [1-13C]-Leu' HEPES 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $U-2H-13C-15N_MgtECP save_ save_3D_trHNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHNCA' _Sample_label $U-2H-13C-15N_MgtECP save_ save_3D_trHNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHNCACB' _Sample_label $U-2H-13C-15N_MgtECP save_ save_3D_trHNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHNCO' _Sample_label $U-2H-13C-15N_MgtECP save_ save_3D_trHN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHN(CO)CA' _Sample_label $U-2H-13C-15N_MgtECP save_ save_3D_trHN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHN(CO)CACB' _Sample_label $U-2H-13C-15N_MgtECP save_ save_3D_trHNCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHNCACO' _Sample_label $U-2H-13C-15N_MgtECP save_ save_3D_15N-edited_NOESY-TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY-TROSY' _Sample_label $U-2H-15N_MgtECP save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_Arg_MgtECP save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_Ile_MgtECP save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_His_MgtECP save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_Lys_MgtECP save_ save_2D_HNCO_(1H-15N_plane)_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCO (1H-15N plane)' _Sample_label $U-15N_1-13C_Pro_MgtECP save_ save_2D_HNCO_(1H-15N_plane)_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCO (1H-15N plane)' _Sample_label $U-15N_1-13C_Gly_MgtECP save_ save_2D_HNCO_(1H-15N_plane)_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCO (1H-15N plane)' _Sample_label $U-15N_1-13C_Leu_MgtECP 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' 20 . mM pH 6.10 . pH pressure 1 . atm temperature 313 . 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 external 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 TROSY' '3D trHNCA' '3D trHNCACB' '3D trHNCO' '3D trHN(CO)CA' '3D trHN(CO)CACB' '3D trHNCACO' '3D 15N-edited NOESY-TROSY' '2D 1H-15N HSQC' '2D HNCO (1H-15N plane)' stop_ loop_ _Sample_label $U-2H-13C-15N_MgtECP $U-2H-15N_MgtECP $15N_Arg_MgtECP $15N_Ile_MgtECP $15N_His_MgtECP $15N_Lys_MgtECP $U-15N_1-13C_Pro_MgtECP $U-15N_1-13C_Gly_MgtECP $U-15N_1-13C_Leu_MgtECP stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'The cytoplasmic region of MgtE, chain 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 -2 3 LEU H H 8.244 0.006 1 2 -2 3 LEU C C 177.146 0.167 1 3 -2 3 LEU CA C 55.019 0.184 1 4 -2 3 LEU CB C 41.465 0.567 1 5 -2 3 LEU N N 122.146 0.125 1 6 -1 4 HIS H H 8.42 0.006 1 7 -1 4 HIS C C 174.833 0.167 1 8 -1 4 HIS CA C 55.285 0.184 1 9 -1 4 HIS CB C 28.717 0.567 1 10 -1 4 HIS N N 119.303 0.125 1 11 1 5 MET H H 8.262 0.006 1 12 1 5 MET C C 176.221 0.167 1 13 1 5 MET CA C 55.818 0.184 1 14 1 5 MET CB C 31.816 0.567 1 15 1 5 MET N N 121.618 0.125 1 16 2 6 GLU H H 8.632 0.006 1 17 2 6 GLU C C 177.049 0.167 1 18 2 6 GLU CA C 57.169 0.184 1 19 2 6 GLU CB C 28.765 0.567 1 20 2 6 GLU N N 121.901 0.125 1 21 3 7 GLU H H 8.206 0.006 1 22 3 7 GLU C C 177.176 0.167 1 23 3 7 GLU CA C 57.594 0.184 1 24 3 7 GLU CB C 29.047 0.567 1 25 3 7 GLU N N 122.646 0.125 1 26 4 8 LYS H H 8.203 0.006 1 27 4 8 LYS C C 178.384 0.167 1 28 4 8 LYS CA C 57.732 0.184 1 29 4 8 LYS CB C 31.521 0.567 1 30 4 8 LYS N N 120.462 0.125 1 31 5 9 LEU H H 8.076 0.006 1 32 5 9 LEU C C 177.773 0.167 1 33 5 9 LEU CA C 57.078 0.184 1 34 5 9 LEU CB C 40.84 0.567 1 35 5 9 LEU N N 122.006 0.125 1 36 6 10 ALA H H 7.9 0.006 1 37 6 10 ALA C C 179.719 0.167 1 38 6 10 ALA CA C 54.769 0.184 1 39 6 10 ALA CB C 18.056 0.567 1 40 6 10 ALA N N 121.396 0.125 1 41 7 11 VAL H H 7.735 0.006 1 42 7 11 VAL C C 178.1 0.167 1 43 7 11 VAL CA C 64.933 0.184 1 44 7 11 VAL CB C 31.109 0.567 1 45 7 11 VAL N N 117.958 0.125 1 46 8 12 SER H H 7.951 0.006 1 47 8 12 SER C C 176.765 0.167 1 48 8 12 SER CA C 61.028 0.184 1 49 8 12 SER CB C 62.447 0.567 1 50 8 12 SER N N 117.134 0.125 1 51 9 13 LEU H H 8.396 0.006 1 52 9 13 LEU C C 177.418 0.167 1 53 9 13 LEU CA C 58.141 0.184 1 54 9 13 LEU CB C 40.51 0.567 1 55 9 13 LEU N N 123.459 0.125 1 56 10 14 GLN H H 7.792 0.006 1 57 10 14 GLN C C 178.895 0.167 1 58 10 14 GLN CA C 59.205 0.184 1 59 10 14 GLN CB C 27.645 0.567 1 60 10 14 GLN N N 117.146 0.125 1 61 11 15 GLU H H 8.212 0.006 1 62 11 15 GLU C C 178.668 0.167 1 63 11 15 GLU CA C 59.153 0.184 1 64 11 15 GLU CB C 28.635 0.567 1 65 11 15 GLU N N 119.513 0.125 1 66 12 16 ALA H H 7.916 0.006 1 67 12 16 ALA C C 180.713 0.167 1 68 12 16 ALA CA C 54.754 0.184 1 69 12 16 ALA CB C 17.467 0.567 1 70 12 16 ALA N N 121.436 0.125 1 71 13 17 LEU H H 8.015 0.006 1 72 13 17 LEU C C 179.155 0.167 1 73 13 17 LEU CA C 56.942 0.184 1 74 13 17 LEU CB C 40.428 0.567 1 75 13 17 LEU N N 117.958 0.125 1 76 14 18 GLN H H 7.936 0.006 1 77 14 18 GLN C C 177.999 0.167 1 78 14 18 GLN CA C 57.975 0.184 1 79 14 18 GLN CB C 27.775 0.567 1 80 14 18 GLN N N 118.2 0.125 1 81 15 19 GLU H H 7.78 0.006 1 82 15 19 GLU C C 177.503 0.167 1 83 15 19 GLU CA C 56.105 0.184 1 84 15 19 GLU CB C 29.26 0.567 1 85 15 19 GLU N N 115.833 0.125 1 86 16 20 GLY H H 7.563 0.006 1 87 16 20 GLY C C 174.095 0.167 1 88 16 20 GLY CA C 45.957 0.184 1 89 16 20 GLY N N 108.395 0.125 1 90 17 21 ASP H H 7.619 0.006 1 91 17 21 ASP C C 176.168 0.167 1 92 17 21 ASP CA C 52.429 0.184 1 93 17 21 ASP CB C 40.428 0.567 1 94 17 21 ASP N N 119.115 0.125 1 95 18 22 THR H H 8.157 0.006 1 96 18 22 THR C C 175.628 0.167 1 97 18 22 THR CA C 64.588 0.184 1 98 18 22 THR CB C 68.467 0.567 1 99 18 22 THR N N 118.771 0.125 1 100 19 23 ARG H H 8.108 0.006 1 101 19 23 ARG C C 178.611 0.167 1 102 19 23 ARG CA C 59.569 0.184 1 103 19 23 ARG CB C 28.635 0.567 1 104 19 23 ARG N N 123.583 0.125 1 105 20 24 ALA H H 7.887 0.006 1 106 20 24 ALA C C 180.457 0.167 1 107 20 24 ALA CA C 54.207 0.184 1 108 20 24 ALA CB C 17.584 0.567 1 109 20 24 ALA N N 122.37 0.125 1 110 21 25 LEU H H 8.171 0.006 1 111 21 25 LEU C C 177.986 0.167 1 112 21 25 LEU CA C 57.169 0.184 1 113 21 25 LEU CB C 41.05 0.567 1 114 21 25 LEU N N 117.988 0.125 1 115 22 26 ARG H H 8.188 0.006 1 116 22 26 ARG C C 178.554 0.167 1 117 22 26 ARG CA C 60.132 0.184 1 118 22 26 ARG CB C 28.717 0.567 1 119 22 26 ARG N N 118.193 0.125 1 120 23 27 GLU H H 7.474 0.006 1 121 23 27 GLU C C 179.52 0.167 1 122 23 27 GLU CA C 59.265 0.184 1 123 23 27 GLU CB C 28.965 0.567 1 124 23 27 GLU N N 117.708 0.125 1 125 24 28 VAL H H 7.926 0.006 1 126 24 28 VAL C C 178.639 0.167 1 127 24 28 VAL CA C 65.446 0.184 1 128 24 28 VAL CB C 30.779 0.567 1 129 24 28 VAL N N 119.646 0.125 1 130 25 29 LEU H H 8.336 0.006 1 131 25 29 LEU C C 178.185 0.167 1 132 25 29 LEU CA C 56.358 0.184 1 133 25 29 LEU CB C 39.685 0.567 1 134 25 29 LEU N N 118.097 0.125 1 135 26 30 GLU H H 7.735 0.006 1 136 26 30 GLU C C 177.96 0.167 1 137 26 30 GLU CA C 58.555 0.184 1 138 26 30 GLU CB C 28.93 0.567 1 139 26 30 GLU N N 118.521 0.125 1 140 27 31 GLU H H 7.188 0.006 1 141 27 31 GLU C C 177.674 0.167 1 142 27 31 GLU CA C 56.348 0.184 1 143 27 31 GLU CB C 30.614 0.567 1 144 27 31 GLU N N 116.708 0.125 1 145 28 32 ILE H H 7.64 0.006 1 146 28 32 ILE C C 174.294 0.167 1 147 28 32 ILE CA C 61.76 0.184 1 148 28 32 ILE CB C 38.201 0.567 1 149 28 32 ILE N N 120.021 0.125 1 150 29 33 HIS H H 9.35 0.006 1 151 29 33 HIS C C 176.026 0.167 1 152 29 33 HIS CA C 54.1 0.184 1 153 29 33 HIS CB C 28.847 0.567 1 154 29 33 HIS N N 128.584 0.125 1 155 31 35 GLN H H 9.928 0.006 1 156 31 35 GLN C C 178.611 0.167 1 157 31 35 GLN CA C 58.901 0.184 1 158 31 35 GLN CB C 27.15 0.567 1 159 31 35 GLN N N 116.458 0.125 1 160 32 36 ASP H H 7.36 0.006 1 161 32 36 ASP C C 178.355 0.167 1 162 32 36 ASP CA C 56.665 0.184 1 163 32 36 ASP CB C 39.733 0.567 1 164 32 36 ASP N N 120.066 0.125 1 165 33 37 LEU H H 7.328 0.006 1 166 33 37 LEU C C 178.725 0.167 1 167 33 37 LEU CA C 57.047 0.184 1 168 33 37 LEU CB C 40.758 0.567 1 169 33 37 LEU N N 120.075 0.125 1 170 34 38 LEU H H 8.197 0.006 1 171 34 38 LEU C C 179.179 0.167 1 172 34 38 LEU CA C 57.473 0.184 1 173 34 38 LEU CB C 40.508 0.567 1 174 34 38 LEU N N 118.317 0.125 1 175 35 39 ALA H H 7.375 0.006 1 176 35 39 ALA C C 178.725 0.167 1 177 35 39 ALA CA C 54.07 0.184 1 178 35 39 ALA CB C 17.831 0.567 1 179 35 39 ALA N N 120.842 0.125 1 180 36 40 LEU H H 7.322 0.006 1 181 36 40 LEU C C 177.418 0.167 1 182 36 40 LEU CA C 54.313 0.184 1 183 36 40 LEU CB C 42.16 0.567 1 184 36 40 LEU N N 116.833 0.125 1 185 37 41 TRP H H 7.544 0.006 1 186 37 41 TRP C C 177.589 0.167 1 187 37 41 TRP CA C 61.301 0.184 1 188 37 41 TRP CB C 30.827 0.567 1 189 37 41 TRP N N 122.271 0.125 1 190 38 42 ASP H H 8.441 0.006 1 191 38 42 ASP C C 177.219 0.167 1 192 38 42 ASP CA C 56.379 0.184 1 193 38 42 ASP CB C 40.015 0.567 1 194 38 42 ASP N N 113.52 0.125 1 195 39 43 GLU H H 7.991 0.006 1 196 39 43 GLU C C 176.935 0.167 1 197 39 43 GLU CA C 55.832 0.184 1 198 39 43 GLU CB C 29.095 0.567 1 199 39 43 GLU N N 116.673 0.125 1 200 40 44 LEU H H 7.369 0.006 1 201 40 44 LEU C C 177.702 0.167 1 202 40 44 LEU CA C 53.467 0.184 1 203 40 44 LEU CB C 41.912 0.567 1 204 40 44 LEU N N 120.826 0.125 1 205 41 45 LYS H H 8.733 0.006 1 206 41 45 LYS C C 178.497 0.167 1 207 41 45 LYS CA C 55.498 0.184 1 208 41 45 LYS CB C 31.851 0.567 1 209 41 45 LYS N N 123.521 0.125 1 210 42 46 GLY H H 8.822 0.006 1 211 42 46 GLY C C 176.651 0.167 1 212 42 46 GLY CA C 48.145 0.184 1 213 42 46 GLY N N 111.895 0.125 1 214 43 47 GLU H H 9.356 0.006 1 215 43 47 GLU C C 178.668 0.167 1 216 43 47 GLU CA C 58.9 0.184 1 217 43 47 GLU CB C 28.057 0.567 1 218 43 47 GLU N N 120.396 0.125 1 219 44 48 HIS H H 6.909 0.006 1 220 44 48 HIS C C 177.304 0.167 1 221 44 48 HIS CA C 56.358 0.184 1 222 44 48 HIS CB C 31.686 0.567 1 223 44 48 HIS N N 119.021 0.125 1 224 45 49 ARG H H 7.907 0.006 1 225 45 49 ARG C C 177.446 0.167 1 226 45 49 ARG CA C 59.567 0.184 1 227 45 49 ARG CB C 29.789 0.567 1 228 45 49 ARG N N 120.334 0.125 1 229 46 50 TYR H H 7.481 0.006 1 230 46 50 TYR C C 177.759 0.167 1 231 46 50 TYR CA C 62.182 0.184 1 232 46 50 TYR CB C 37.789 0.567 1 233 46 50 TYR N N 116.521 0.125 1 234 47 51 VAL H H 7.57 0.006 1 235 47 51 VAL C C 179.184 0.167 1 236 47 51 VAL CA C 66.209 0.184 1 237 47 51 VAL CB C 30.827 0.567 1 238 47 51 VAL N N 118.969 0.125 1 239 48 52 VAL H H 8.345 0.006 1 240 48 52 VAL C C 177.674 0.167 1 241 48 52 VAL CA C 66.939 0.184 1 242 48 52 VAL CB C 30.424 0.567 1 243 48 52 VAL N N 119.896 0.125 1 244 49 53 LEU H H 7.946 0.006 1 245 49 53 LEU C C 178.497 0.167 1 246 49 53 LEU CA C 57.367 0.184 1 247 49 53 LEU CB C 41.087 0.567 1 248 49 53 LEU N N 117.385 0.125 1 249 50 54 THR H H 7.636 0.006 1 250 50 54 THR C C 174.161 0.167 1 251 50 54 THR CA C 65.312 0.184 1 252 50 54 THR CB C 68.797 0.567 1 253 50 54 THR N N 112.921 0.125 1 254 51 55 LEU H H 7.449 0.006 1 255 51 55 LEU C C 178.157 0.167 1 256 51 55 LEU CA C 55.058 0.184 1 257 51 55 LEU CB C 43.891 0.567 1 258 51 55 LEU N N 119.333 0.125 1 259 52 56 LEU H H 7.829 0.006 1 260 52 56 LEU C C 174.493 0.167 1 261 52 56 LEU CA C 53.753 0.184 1 262 52 56 LEU CB C 43.232 0.567 1 263 52 56 LEU N N 121.456 0.125 1 264 54 58 LYS H H 8.809 0.006 1 265 54 58 LYS C C 176.538 0.167 1 266 54 58 LYS CA C 60.45 0.184 1 267 54 58 LYS CB C 31.604 0.567 1 268 54 58 LYS N N 125.272 0.125 1 269 55 59 ALA H H 8.899 0.006 1 270 55 59 ALA C C 181.082 0.167 1 271 55 59 ALA CA C 55.315 0.184 1 272 55 59 ALA CB C 17.714 0.567 1 273 55 59 ALA N N 122.011 0.125 1 274 56 60 LYS H H 7.119 0.006 1 275 56 60 LYS C C 177.901 0.167 1 276 56 60 LYS CA C 58.688 0.184 1 277 56 60 LYS CB C 32.748 0.567 1 278 56 60 LYS N N 116.833 0.125 1 279 57 61 ALA H H 8.061 0.006 1 280 57 61 ALA C C 178.422 0.167 1 281 57 61 ALA CA C 54.515 0.184 1 282 57 61 ALA CB C 17.419 0.567 1 283 57 61 ALA N N 121.404 0.125 1 284 58 62 ALA H H 7.856 0.006 1 285 58 62 ALA C C 178.327 0.167 1 286 58 62 ALA CA C 54.768 0.184 1 287 58 62 ALA CB C 17.961 0.567 1 288 58 62 ALA N N 118.704 0.125 1 289 59 63 GLU H H 7.316 0.006 1 290 59 63 GLU C C 179.264 0.167 1 291 59 63 GLU CA C 59.218 0.184 1 292 59 63 GLU CB C 28.635 0.567 1 293 59 63 GLU N N 119.021 0.125 1 294 60 64 VAL H H 7.888 0.006 1 295 60 64 VAL C C 177.106 0.167 1 296 60 64 VAL CA C 66.621 0.184 1 297 60 64 VAL CB C 30.366 0.567 1 298 60 64 VAL N N 118.896 0.125 1 299 61 65 LEU H H 8.043 0.006 1 300 61 65 LEU C C 179.207 0.167 1 301 61 65 LEU CA C 58.02 0.184 1 302 61 65 LEU CB C 40.888 0.567 1 303 61 65 LEU N N 117.771 0.125 1 304 62 66 SER H H 7.987 0.006 1 305 62 66 SER CA C 60.754 0.184 1 306 62 66 SER CB C 62.447 0.567 1 307 62 66 SER N N 110.71 0.125 1 308 63 67 HIS H H 7.449 0.006 1 309 63 67 HIS C C 174.095 0.167 1 310 63 67 HIS CA C 55.953 0.184 1 311 63 67 HIS CB C 29.459 0.567 1 312 63 67 HIS N N 117.208 0.125 1 313 64 68 LEU H H 7.082 0.006 1 314 64 68 LEU C C 175.913 0.167 1 315 64 68 LEU CA C 53.562 0.184 1 316 64 68 LEU CB C 41.17 0.567 1 317 64 68 LEU N N 120.716 0.125 1 318 65 69 SER H H 8.562 0.006 1 319 65 69 SER C C 173.385 0.167 1 320 65 69 SER CA C 56.987 0.184 1 321 65 69 SER CB C 62.117 0.567 1 322 65 69 SER N N 116.708 0.125 1 323 67 71 GLU H H 8.638 0.006 1 324 67 71 GLU C C 179.293 0.167 1 325 67 71 GLU CA C 59.873 0.184 1 326 67 71 GLU CB C 27.892 0.567 1 327 67 71 GLU N N 116.208 0.125 1 328 68 72 GLU H H 7.572 0.006 1 329 68 72 GLU C C 178.469 0.167 1 330 68 72 GLU CA C 58.81 0.184 1 331 68 72 GLU CB C 30.002 0.567 1 332 68 72 GLU N N 122.249 0.125 1 333 69 73 GLN H H 8.778 0.006 1 334 69 73 GLN C C 178.673 0.167 1 335 69 73 GLN CA C 59.889 0.184 1 336 69 73 GLN CB C 28.47 0.567 1 337 69 73 GLN N N 117.833 0.125 1 338 70 74 ALA H H 8.178 0.006 1 339 70 74 ALA C C 178.52 0.167 1 340 70 74 ALA CA C 54.92 0.184 1 341 70 74 ALA CB C 17.501 0.567 1 342 70 74 ALA N N 118.089 0.125 1 343 71 75 GLU H H 7.123 0.006 1 344 71 75 GLU C C 180.202 0.167 1 345 71 75 GLU CA C 58.779 0.184 1 346 71 75 GLU CB C 27.727 0.567 1 347 71 75 GLU N N 117.032 0.125 1 348 72 76 TYR H H 7.732 0.006 1 349 72 76 TYR C C 178.422 0.167 1 350 72 76 TYR CA C 61.283 0.184 1 351 72 76 TYR CB C 36.222 0.567 1 352 72 76 TYR N N 119.271 0.125 1 353 73 77 LEU H H 8.568 0.006 1 354 73 77 LEU C C 177.617 0.167 1 355 73 77 LEU CA C 57.153 0.184 1 356 73 77 LEU CB C 40.18 0.567 1 357 73 77 LEU N N 119.521 0.125 1 358 74 78 LYS H H 7.398 0.006 1 359 74 78 LYS C C 177.759 0.167 1 360 74 78 LYS CA C 57.594 0.184 1 361 74 78 LYS CB C 32.758 0.567 1 362 74 78 LYS N N 114.646 0.125 1 363 75 79 THR H H 7.576 0.006 1 364 75 79 THR C C 176.85 0.167 1 365 75 79 THR CA C 62.486 0.184 1 366 75 79 THR CB C 71.271 0.567 1 367 75 79 THR N N 106.957 0.125 1 368 76 80 LEU H H 8.307 0.006 1 369 76 80 LEU C C 172.476 0.167 1 370 76 80 LEU CA C 53.979 0.184 1 371 76 80 LEU CB C 39.568 0.567 1 372 76 80 LEU N N 126.272 0.125 1 373 79 83 TRP H H 7.201 0.006 1 374 79 83 TRP C C 177.39 0.167 1 375 79 83 TRP CA C 57.898 0.184 1 376 79 83 TRP CB C 26.408 0.567 1 377 79 83 TRP N N 113.153 0.125 1 378 80 84 ARG H H 6.113 0.006 1 379 80 84 ARG CA C 55.355 0.184 1 380 80 84 ARG CB C 27.48 0.567 1 381 80 84 ARG N N 123.813 0.125 1 382 81 85 LEU H H 7.884 0.006 1 383 81 85 LEU C C 178.083 0.167 1 384 81 85 LEU CA C 57.884 0.184 1 385 81 85 LEU CB C 40.888 0.567 1 386 81 85 LEU N N 121.406 0.125 1 387 82 86 ARG H H 7.964 0.006 1 388 82 86 ARG C C 177.787 0.167 1 389 82 86 ARG CA C 59.812 0.184 1 390 82 86 ARG CB C 29.129 0.567 1 391 82 86 ARG N N 116.146 0.125 1 392 83 87 GLU H H 6.928 0.006 1 393 83 87 GLU C C 178.412 0.167 1 394 83 87 GLU CA C 58.445 0.184 1 395 83 87 GLU CB C 29.542 0.567 1 396 83 87 GLU N N 115.021 0.125 1 397 84 88 ILE H H 7.85 0.006 1 398 84 88 ILE C C 177.816 0.167 1 399 84 88 ILE CA C 64.704 0.184 1 400 84 88 ILE CB C 37.211 0.567 1 401 84 88 ILE N N 116.646 0.125 1 402 85 89 LEU H H 8.263 0.006 1 403 85 89 LEU C C 178.1 0.167 1 404 85 89 LEU CA C 57.458 0.184 1 405 85 89 LEU CB C 39.521 0.567 1 406 85 89 LEU N N 118.083 0.125 1 407 86 90 GLU H H 7.182 0.006 1 408 86 90 GLU C C 177.333 0.167 1 409 86 90 GLU CA C 57.367 0.184 1 410 86 90 GLU CB C 28.965 0.567 1 411 86 90 GLU N N 114.521 0.125 1 412 87 91 GLU H H 7.347 0.006 1 413 87 91 GLU C C 176.367 0.167 1 414 87 91 GLU CA C 55.635 0.184 1 415 87 91 GLU CB C 30.092 0.567 1 416 87 91 GLU N N 116.781 0.125 1 417 88 92 LEU H H 7.148 0.006 1 418 88 92 LEU C C 176.302 0.167 1 419 88 92 LEU CA C 53.766 0.184 1 420 88 92 LEU CB C 42.819 0.567 1 421 88 92 LEU N N 118.735 0.125 1 422 89 93 SER H H 8.739 0.006 1 423 89 93 SER C C 175.458 0.167 1 424 89 93 SER CA C 56.895 0.184 1 425 89 93 SER CB C 63.519 0.567 1 426 89 93 SER N N 116.771 0.125 1 427 90 94 LEU H H 8.634 0.006 1 428 90 94 LEU C C 178.554 0.167 1 429 90 94 LEU CA C 57.807 0.184 1 430 90 94 LEU CB C 40.18 0.567 1 431 90 94 LEU N N 125.474 0.125 1 432 91 95 ASP H H 8.044 0.006 1 433 91 95 ASP C C 178.441 0.167 1 434 91 95 ASP CA C 56.956 0.184 1 435 91 95 ASP CB C 39.685 0.567 1 436 91 95 ASP N N 116.385 0.125 1 437 92 96 ASP H H 7.571 0.006 1 438 92 96 ASP C C 177.321 0.167 1 439 92 96 ASP CA C 56.486 0.184 1 440 92 96 ASP CB C 40.098 0.567 1 441 92 96 ASP N N 118.793 0.125 1 442 93 97 LEU H H 8.035 0.006 1 443 93 97 LEU C C 177.321 0.167 1 444 93 97 LEU CA C 54.967 0.184 1 445 93 97 LEU N N 120.39 0.125 1 446 94 98 ALA H H 7.684 0.006 1 447 94 98 ALA C C 179.917 0.167 1 448 94 98 ALA CA C 56.075 0.184 1 449 94 98 ALA CB C 17.996 0.567 1 450 94 98 ALA N N 122.286 0.125 1 451 95 99 ASP H H 7.97 0.006 1 452 95 99 ASP C C 179.043 0.167 1 453 95 99 ASP CA C 57.351 0.184 1 454 95 99 ASP CB C 39.438 0.567 1 455 95 99 ASP N N 117.708 0.125 1 456 96 100 ALA H H 8.485 0.006 1 457 96 100 ALA C C 179.605 0.167 1 458 96 100 ALA CA C 54.647 0.184 1 459 96 100 ALA CB C 17.714 0.567 1 460 96 100 ALA N N 125.834 0.125 1 461 97 101 LEU H H 8.612 0.006 1 462 97 101 LEU C C 179.268 0.167 1 463 97 101 LEU CA C 57.687 0.184 1 464 97 101 LEU CB C 40.51 0.567 1 465 97 101 LEU N N 116.583 0.125 1 466 98 102 GLN H H 7.922 0.006 1 467 98 102 GLN C C 177.929 0.167 1 468 98 102 GLN CA C 58.232 0.184 1 469 98 102 GLN CB C 27.645 0.567 1 470 98 102 GLN N N 118.165 0.125 1 471 99 103 ALA H H 7.633 0.006 1 472 99 103 ALA C C 180.741 0.167 1 473 99 103 ALA CA C 54.86 0.184 1 474 99 103 ALA CB C 16.972 0.567 1 475 99 103 ALA N N 122.459 0.125 1 476 100 104 VAL H H 7.903 0.006 1 477 100 104 VAL C C 177.039 0.167 1 478 100 104 VAL CA C 65.919 0.184 1 479 100 104 VAL CB C 30.944 0.567 1 480 100 104 VAL N N 118.037 0.125 1 481 101 105 ARG H H 8.008 0.006 1 482 101 105 ARG C C 176.822 0.167 1 483 101 105 ARG CA C 59.44 0.184 1 484 101 105 ARG CB C 28.717 0.567 1 485 101 105 ARG N N 119.959 0.125 1 486 102 106 LYS H H 7.417 0.006 1 487 102 106 LYS C C 177.759 0.167 1 488 102 106 LYS CA C 58.232 0.184 1 489 102 106 LYS CB C 31.933 0.567 1 490 102 106 LYS N N 114.896 0.125 1 491 103 107 GLU H H 7.462 0.006 1 492 103 107 GLU C C 177.049 0.167 1 493 103 107 GLU CA C 57.26 0.184 1 494 103 107 GLU CB C 30.084 0.567 1 495 103 107 GLU N N 116.771 0.125 1 496 104 108 ASP H H 8.492 0.006 1 497 104 108 ASP C C 172.362 0.167 1 498 104 108 ASP CA C 51.365 0.184 1 499 104 108 ASP CB C 40.923 0.567 1 500 104 108 ASP N N 116.646 0.125 1 501 106 110 ALA H H 8.127 0.006 1 502 106 110 ALA C C 180.566 0.167 1 503 106 110 ALA CA C 54.663 0.184 1 504 106 110 ALA CB C 17.666 0.567 1 505 106 110 ALA N N 121.197 0.125 1 506 107 111 TYR H H 7.951 0.006 1 507 107 111 TYR C C 177.475 0.167 1 508 107 111 TYR CA C 60.724 0.184 1 509 107 111 TYR CB C 37.589 0.567 1 510 107 111 TYR N N 121.959 0.125 1 511 108 112 PHE H H 8.242 0.006 1 512 108 112 PHE C C 175.742 0.167 1 513 108 112 PHE CA C 61.21 0.184 1 514 108 112 PHE CB C 38.166 0.567 1 515 108 112 PHE N N 119.334 0.125 1 516 109 113 GLN H H 7.532 0.006 1 517 109 113 GLN C C 177.463 0.167 1 518 109 113 GLN CA C 58.354 0.184 1 519 109 113 GLN CB C 27.398 0.567 1 520 109 113 GLN N N 116.583 0.125 1 521 110 114 ARG H H 7.142 0.006 1 522 110 114 ARG C C 178.901 0.167 1 523 110 114 ARG CA C 58.487 0.184 1 524 110 114 ARG CB C 28.8 0.567 1 525 110 114 ARG N N 118.562 0.125 1 526 111 115 LEU H H 7.837 0.006 1 527 111 115 LEU C C 178.591 0.167 1 528 111 115 LEU CA C 57.094 0.184 1 529 111 115 LEU CB C 40.593 0.567 1 530 111 115 LEU N N 120.146 0.125 1 531 112 116 LYS H H 7.525 0.006 1 532 112 116 LYS C C 178.563 0.167 1 533 112 116 LYS CA C 59.691 0.184 1 534 112 116 LYS CB C 30.366 0.567 1 535 112 116 LYS N N 116.521 0.125 1 536 113 117 ASP H H 7.411 0.006 1 537 113 117 ASP C C 177.253 0.167 1 538 113 117 ASP CA C 55.953 0.184 1 539 113 117 ASP CB C 39.933 0.567 1 540 113 117 ASP N N 117.458 0.125 1 541 114 118 LEU H H 7.455 0.006 1 542 114 118 LEU C C 177.217 0.167 1 543 114 118 LEU CA C 55.214 0.184 1 544 114 118 LEU CB C 41.417 0.567 1 545 114 118 LEU N N 118.646 0.125 1 546 115 119 LEU H H 7.049 0.006 1 547 115 119 LEU C C 176.736 0.167 1 548 115 119 LEU CA C 53.735 0.184 1 549 115 119 LEU CB C 41.995 0.567 1 550 115 119 LEU N N 117.501 0.125 1 551 116 120 ASP H H 8.301 0.006 1 552 116 120 ASP C C 174.436 0.167 1 553 116 120 ASP CA C 52.55 0.184 1 554 116 120 ASP CB C 40.51 0.567 1 555 116 120 ASP N N 121.715 0.125 1 556 118 122 ARG H H 8.404 0.006 1 557 118 122 ARG C C 178.441 0.167 1 558 118 122 ARG CA C 58.709 0.184 1 559 118 122 ARG CB C 28.717 0.567 1 560 118 122 ARG N N 119.459 0.125 1 561 119 123 THR H H 7.845 0.006 1 562 119 123 THR C C 176.334 0.167 1 563 119 123 THR CA C 65.145 0.184 1 564 119 123 THR CB C 67.56 0.567 1 565 119 123 THR N N 118.37 0.125 1 566 120 124 ARG H H 8.61 0.006 1 567 120 124 ARG C C 177.096 0.167 1 568 120 124 ARG CA C 59.204 0.184 1 569 120 124 ARG CB C 28.965 0.567 1 570 120 124 ARG N N 121.524 0.125 1 571 121 125 ALA H H 7.602 0.006 1 572 121 125 ALA C C 180.453 0.167 1 573 121 125 ALA CA C 54.325 0.184 1 574 121 125 ALA CB C 17.419 0.567 1 575 121 125 ALA N N 120.146 0.125 1 576 122 126 GLU H H 7.716 0.006 1 577 122 126 GLU C C 178.986 0.167 1 578 122 126 GLU CA C 58.552 0.184 1 579 122 126 GLU CB C 28.93 0.567 1 580 122 126 GLU N N 119.139 0.125 1 581 123 127 VAL H H 8.224 0.006 1 582 123 127 VAL C C 178.14 0.167 1 583 123 127 VAL CA C 65.251 0.184 1 584 123 127 VAL CB C 30.579 0.567 1 585 123 127 VAL N N 119.602 0.125 1 586 124 128 GLU H H 8.182 0.006 1 587 124 128 GLU C C 178.22 0.167 1 588 124 128 GLU CA C 58.499 0.184 1 589 124 128 GLU CB C 28.93 0.567 1 590 124 128 GLU N N 120.427 0.125 1 591 125 129 ALA H H 7.585 0.006 1 592 125 129 ALA C C 179.094 0.167 1 593 125 129 ALA CA C 53.53 0.184 1 594 125 129 ALA CB C 17.914 0.567 1 595 125 129 ALA N N 121.08 0.125 1 596 126 130 LEU H H 7.557 0.006 1 597 126 130 LEU C C 177.942 0.167 1 598 126 130 LEU CA C 56.072 0.184 1 599 126 130 LEU CB C 41.335 0.567 1 600 126 130 LEU N N 118.708 0.125 1 601 127 131 ALA H H 7.735 0.006 1 602 127 131 ALA C C 177.475 0.167 1 603 127 131 ALA CA C 52.459 0.184 1 604 127 131 ALA CB C 18.044 0.567 1 605 127 131 ALA N N 121.959 0.125 1 606 128 132 ARG H H 7.614 0.006 1 607 128 132 ARG C C 176.14 0.167 1 608 128 132 ARG CA C 56.358 0.184 1 609 128 132 ARG CB C 29.377 0.567 1 610 128 132 ARG N N 118.833 0.125 1 611 129 133 TYR H H 7.85 0.006 1 612 129 133 TYR C C 175.913 0.167 1 613 129 133 TYR CA C 57.82 0.184 1 614 129 133 TYR CB C 37.871 0.567 1 615 129 133 TYR N N 120.396 0.125 1 616 130 134 GLU H H 8.085 0.006 1 617 130 134 GLU C C 176.225 0.167 1 618 130 134 GLU CA C 56.263 0.184 1 619 130 134 GLU CB C 29.624 0.567 1 620 130 134 GLU N N 121.896 0.125 1 621 131 135 GLU H H 8.123 0.006 1 622 131 135 GLU C C 176.31 0.167 1 623 131 135 GLU CA C 56.39 0.184 1 624 131 135 GLU CB C 29.707 0.567 1 625 131 135 GLU N N 121.334 0.125 1 626 132 136 ASP H H 8.161 0.006 1 627 132 136 ASP C C 176.452 0.167 1 628 132 136 ASP CA C 54.116 0.184 1 629 132 136 ASP CB C 41.005 0.567 1 630 132 136 ASP N N 121.334 0.125 1 631 133 137 GLU H H 8.258 0.006 1 632 133 137 GLU C C 176.282 0.167 1 633 133 137 GLU CA C 56.612 0.184 1 634 133 137 GLU CB C 29.047 0.567 1 635 133 137 GLU N N 121.805 0.125 1 636 134 138 ALA H H 8.097 0.006 1 637 134 138 ALA C C 177.702 0.167 1 638 134 138 ALA CA C 52.141 0.184 1 639 134 138 ALA CB C 18.573 0.567 1 640 134 138 ALA N N 123.896 0.125 1 641 135 139 GLY H H 7.993 0.006 1 642 135 139 GLY C C 174.048 0.167 1 643 135 139 GLY CA C 45.106 0.184 1 644 135 139 GLY N N 107.404 0.125 1 645 136 140 GLY H H 7.532 0.006 1 646 136 140 GLY C C 172.135 0.167 1 647 136 140 GLY CA C 43.709 0.184 1 648 136 140 GLY N N 107.403 0.125 1 649 138 142 MET H H 8.575 0.006 1 650 138 142 MET C C 174.464 0.167 1 651 138 142 MET CA C 54.617 0.184 1 652 138 142 MET CB C 34.29 0.567 1 653 138 142 MET N N 123.448 0.125 1 654 139 143 THR H H 8.494 0.006 1 655 139 143 THR C C 172.214 0.167 1 656 139 143 THR CA C 58.81 0.184 1 657 139 143 THR CB C 68.715 0.567 1 658 139 143 THR N N 119.88 0.125 1 659 141 145 GLU H H 8.421 0.006 1 660 141 145 GLU C C 176.757 0.167 1 661 141 145 GLU CA C 55.028 0.184 1 662 141 145 GLU CB C 29.26 0.567 1 663 141 145 GLU N N 122.762 0.125 1 664 148 152 GLY H H 8.026 0.006 1 665 148 152 GLY C C 175.487 0.167 1 666 148 152 GLY CA C 44.468 0.184 1 667 148 152 GLY N N 103.777 0.125 1 668 149 153 MET H H 7.348 0.006 1 669 149 153 MET C C 176.055 0.167 1 670 149 153 MET CA C 56.379 0.184 1 671 149 153 MET CB C 34.243 0.567 1 672 149 153 MET N N 119.847 0.125 1 673 150 154 THR H H 8.568 0.006 1 674 150 154 THR C C 176.531 0.167 1 675 150 154 THR CA C 60.025 0.184 1 676 150 154 THR CB C 71.024 0.567 1 677 150 154 THR N N 111.208 0.125 1 678 151 155 VAL H H 8.556 0.006 1 679 151 155 VAL C C 177.858 0.167 1 680 151 155 VAL CA C 67.226 0.184 1 681 151 155 VAL CB C 30.861 0.567 1 682 151 155 VAL N N 123.373 0.125 1 683 152 156 GLU H H 8.911 0.006 1 684 152 156 GLU C C 178.895 0.167 1 685 152 156 GLU CA C 59.356 0.184 1 686 152 156 GLU CB C 28.552 0.567 1 687 152 156 GLU N N 119.15 0.125 1 688 153 157 GLU H H 7.661 0.006 1 689 153 157 GLU C C 177.209 0.167 1 690 153 157 GLU CA C 59.13 0.184 1 691 153 157 GLU CB C 29.177 0.567 1 692 153 157 GLU N N 119.162 0.125 1 693 171 175 ILE H H 8.352 0.006 1 694 171 175 ILE C C 174.635 0.167 1 695 171 175 ILE CA C 59.758 0.184 1 696 171 175 ILE CB C 38.991 0.567 1 697 171 175 ILE N N 121.771 0.125 1 698 176 180 GLU H H 9.031 0.006 1 699 176 180 GLU C C 176.672 0.167 1 700 176 180 GLU CA C 58.718 0.184 1 701 176 180 GLU CB C 27.892 0.567 1 702 176 180 GLU N N 117.897 0.125 1 703 177 181 LYS H H 7.905 0.006 1 704 177 181 LYS C C 176.396 0.167 1 705 177 181 LYS CA C 54.724 0.184 1 706 177 181 LYS CB C 31.569 0.567 1 707 177 181 LYS N N 119.005 0.125 1 708 178 182 GLY H H 7.87 0.006 1 709 178 182 GLY C C 174.521 0.167 1 710 178 182 GLY CA C 44.545 0.184 1 711 178 182 GLY N N 107.014 0.125 1 712 179 183 ARG H H 8.611 0.006 1 713 179 183 ARG C C 176.277 0.167 1 714 179 183 ARG CA C 55.992 0.184 1 715 179 183 ARG CB C 28.8 0.567 1 716 179 183 ARG N N 121.946 0.125 1 717 180 184 LEU H H 7.481 0.006 1 718 180 184 LEU C C 175.854 0.167 1 719 180 184 LEU CA C 55.948 0.184 1 720 180 184 LEU CB C 41.877 0.567 1 721 180 184 LEU N N 121.964 0.125 1 722 181 185 LYS H H 9.464 0.006 1 723 181 185 LYS C C 175.854 0.167 1 724 181 185 LYS CA C 53.644 0.184 1 725 181 185 LYS CB C 32.841 0.567 1 726 181 185 LYS N N 126.139 0.125 1 727 182 186 GLY H H 7.564 0.006 1 728 182 186 GLY C C 170.8 0.167 1 729 182 186 GLY CA C 46.352 0.184 1 730 182 186 GLY N N 103.131 0.125 1 731 183 187 VAL H H 8.352 0.006 1 732 183 187 VAL C C 172.362 0.167 1 733 183 187 VAL CA C 59.782 0.184 1 734 183 187 VAL CB C 35.067 0.567 1 735 183 187 VAL N N 117.583 0.125 1 736 195 199 ARG H H 8.405 0.006 1 737 195 199 ARG C C 176.822 0.167 1 738 195 199 ARG CA C 55.909 0.184 1 739 195 199 ARG CB C 29.212 0.567 1 740 195 199 ARG N N 114.34 0.125 1 741 196 200 THR H H 7.875 0.006 1 742 196 200 THR C C 173.499 0.167 1 743 196 200 THR CA C 63.625 0.184 1 744 196 200 THR CB C 69.191 0.567 1 745 196 200 THR N N 118.546 0.125 1 746 197 201 ARG H H 8.65 0.006 1 747 197 201 ARG C C 178.563 0.167 1 748 197 201 ARG CA C 55.498 0.184 1 749 197 201 ARG CB C 29.872 0.567 1 750 197 201 ARG N N 125.147 0.125 1 751 200 204 GLU H H 7.662 0.006 1 752 200 204 GLU C C 177.56 0.167 1 753 200 204 GLU CA C 57.564 0.184 1 754 200 204 GLU CB C 29.707 0.567 1 755 200 204 GLU N N 112.962 0.125 1 756 201 205 ILE H H 7.176 0.006 1 757 201 205 ILE C C 175.799 0.167 1 758 201 205 ILE CA C 60.39 0.184 1 759 201 205 ILE CB C 39.058 0.567 1 760 201 205 ILE N N 109.512 0.125 1 761 202 206 MET H H 7.493 0.006 1 762 202 206 MET C C 172.533 0.167 1 763 202 206 MET CA C 55.103 0.184 1 764 202 206 MET CB C 31.521 0.567 1 765 202 206 MET N N 119.604 0.125 1 766 203 207 ASN H H 8.997 0.006 1 767 203 207 ASN C C 175.345 0.167 1 768 203 207 ASN CA C 49.285 0.184 1 769 203 207 ASN CB C 38.331 0.567 1 770 203 207 ASN N N 120.937 0.125 1 771 205 209 LYS H H 7.85 0.006 1 772 205 209 LYS C C 174.606 0.167 1 773 205 209 LYS CA C 54.829 0.184 1 774 205 209 LYS CB C 29.212 0.567 1 775 205 209 LYS N N 123.497 0.125 1 776 206 210 VAL H H 7.252 0.006 1 777 206 210 VAL C C 174.152 0.167 1 778 206 210 VAL CA C 59.44 0.184 1 779 206 210 VAL CB C 32.728 0.567 1 780 206 210 VAL N N 120.959 0.125 1 781 207 211 VAL H H 7.85 0.006 1 782 207 211 VAL C C 173.669 0.167 1 783 207 211 VAL CA C 62.091 0.184 1 784 207 211 VAL CB C 30.249 0.567 1 785 207 211 VAL N N 128.834 0.125 1 786 208 212 TYR H H 7.063 0.006 1 787 208 212 TYR C C 173.243 0.167 1 788 208 212 TYR CA C 54.495 0.184 1 789 208 212 TYR CB C 41.252 0.567 1 790 208 212 TYR N N 120.641 0.125 1 791 209 213 VAL H H 8.288 0.006 1 792 209 213 VAL C C 174.01 0.167 1 793 209 213 VAL CA C 58.627 0.184 1 794 209 213 VAL CB C 33.583 0.567 1 795 209 213 VAL N N 111.645 0.125 1 796 210 214 ARG H H 8.349 0.006 1 797 210 214 ARG C C 179.633 0.167 1 798 210 214 ARG CA C 53.766 0.184 1 799 210 214 ARG CB C 32.888 0.567 1 800 210 214 ARG N N 118.64 0.125 1 801 211 215 THR H H 8.11 0.006 1 802 211 215 THR C C 175.032 0.167 1 803 211 215 THR CA C 63.884 0.184 1 804 211 215 THR CB C 67.972 0.567 1 805 211 215 THR N N 112.833 0.125 1 806 212 216 ASP H H 7.789 0.006 1 807 212 216 ASP C C 176.396 0.167 1 808 212 216 ASP CA C 52.399 0.184 1 809 212 216 ASP CB C 39.356 0.567 1 810 212 216 ASP N N 116.209 0.125 1 811 213 217 THR H H 7.424 0.006 1 812 213 217 THR C C 174.095 0.167 1 813 213 217 THR CA C 64.143 0.184 1 814 213 217 THR CB C 68.467 0.567 1 815 213 217 THR N N 120.334 0.125 1 816 214 218 ASP H H 8.708 0.006 1 817 214 218 ASP C C 177.162 0.167 1 818 214 218 ASP CA C 54.556 0.184 1 819 214 218 ASP CB C 41.548 0.567 1 820 214 218 ASP N N 128.397 0.125 1 821 215 219 GLN H H 8.743 0.006 1 822 215 219 GLN C C 177.716 0.167 1 823 215 219 GLN CA C 59.448 0.184 1 824 215 219 GLN CB C 27.81 0.567 1 825 215 219 GLN N N 123.448 0.125 1 826 216 220 GLU H H 8.727 0.006 1 827 216 220 GLU C C 178.98 0.167 1 828 216 220 GLU CA C 59.25 0.184 1 829 216 220 GLU CB C 27.973 0.567 1 830 216 220 GLU N N 118.896 0.125 1 831 217 221 GLU H H 7.43 0.006 1 832 217 221 GLU C C 178.696 0.167 1 833 217 221 GLU CA C 58.233 0.184 1 834 217 221 GLU N N 120.896 0.125 1 835 218 222 VAL H H 7.694 0.006 1 836 218 222 VAL C C 177.418 0.167 1 837 218 222 VAL CA C 66.812 0.184 1 838 218 222 VAL CB C 30.531 0.567 1 839 218 222 VAL N N 120.079 0.125 1 840 219 223 ALA H H 7.977 0.006 1 841 219 223 ALA C C 180.312 0.167 1 842 219 223 ALA CA C 54.865 0.184 1 843 219 223 ALA CB C 17.501 0.567 1 844 219 223 ALA N N 119.333 0.125 1 845 220 224 ARG H H 7.709 0.006 1 846 220 224 ARG C C 178.111 0.167 1 847 220 224 ARG CA C 58.931 0.184 1 848 220 224 ARG CB C 28.93 0.567 1 849 220 224 ARG N N 119.378 0.125 1 850 221 225 LEU H H 7.932 0.006 1 851 221 225 LEU C C 179.494 0.167 1 852 221 225 LEU CA C 57.979 0.184 1 853 221 225 LEU CB C 41.665 0.567 1 854 221 225 LEU N N 120.771 0.125 1 855 222 226 MET H H 8.034 0.006 1 856 222 226 MET C C 178.422 0.167 1 857 222 226 MET CA C 59.934 0.184 1 858 222 226 MET CB C 31.274 0.567 1 859 222 226 MET N N 115.958 0.125 1 860 223 227 ALA H H 7.757 0.006 1 861 223 227 ALA C C 180.372 0.167 1 862 223 227 ALA CA C 54.07 0.184 1 863 223 227 ALA CB C 17.914 0.567 1 864 223 227 ALA N N 119.953 0.125 1 865 224 228 ASP H H 8.587 0.006 1 866 224 228 ASP C C 177.873 0.167 1 867 224 228 ASP CA C 56.282 0.184 1 868 224 228 ASP CB C 39.603 0.567 1 869 224 228 ASP N N 118.583 0.125 1 870 225 229 TYR H H 7.468 0.006 1 871 225 229 TYR C C 174.123 0.167 1 872 225 229 TYR CA C 57.685 0.184 1 873 225 229 TYR CB C 37.871 0.567 1 874 225 229 TYR N N 115.143 0.125 1 875 226 230 ASP H H 7.53 0.006 1 876 226 230 ASP C C 175.004 0.167 1 877 226 230 ASP CA C 54.769 0.184 1 878 226 230 ASP CB C 38.201 0.567 1 879 226 230 ASP N N 118.565 0.125 1 880 227 231 PHE H H 8.065 0.006 1 881 227 231 PHE C C 176.367 0.167 1 882 227 231 PHE CA C 56.014 0.184 1 883 227 231 PHE CB C 41.912 0.567 1 884 227 231 PHE N N 116.783 0.125 1 885 228 232 THR H H 8.657 0.006 1 886 228 232 THR C C 174.01 0.167 1 887 228 232 THR CA C 61.848 0.184 1 888 228 232 THR CB C 69.127 0.567 1 889 228 232 THR N N 109.523 0.125 1 890 229 233 VAL H H 7.397 0.006 1 891 229 233 VAL C C 174.549 0.167 1 892 229 233 VAL CA C 60.086 0.184 1 893 229 233 VAL CB C 34.325 0.567 1 894 229 233 VAL N N 120.048 0.125 1 895 230 234 LEU H H 8.658 0.006 1 896 230 234 LEU C C 172.987 0.167 1 897 230 234 LEU CA C 51.122 0.184 1 898 230 234 LEU CB C 44.963 0.567 1 899 230 234 LEU N N 124.624 0.125 1 900 232 236 VAL H H 8.008 0.006 1 901 232 236 VAL C C 175.884 0.167 1 902 232 236 VAL CA C 59.663 0.184 1 903 232 236 VAL CB C 32.346 0.567 1 904 232 236 VAL N N 120.584 0.125 1 905 233 237 VAL H H 8.701 0.006 1 906 233 237 VAL C C 175.316 0.167 1 907 233 237 VAL CA C 56.93 0.184 1 908 233 237 VAL CB C 33.913 0.567 1 909 233 237 VAL N N 119.333 0.125 1 910 234 238 ASP H H 8.028 0.006 1 911 234 238 ASP C C 178.639 0.167 1 912 234 238 ASP CA C 51.37 0.184 1 913 234 238 ASP CB C 40.758 0.567 1 914 234 238 ASP N N 119.709 0.125 1 915 235 239 GLU H H 8.892 0.006 1 916 235 239 GLU C C 177.361 0.167 1 917 235 239 GLU CA C 58.931 0.184 1 918 235 239 GLU CB C 27.975 0.567 1 919 235 239 GLU N N 117.021 0.125 1 920 236 240 GLU H H 7.874 0.006 1 921 236 240 GLU C C 176.339 0.167 1 922 236 240 GLU CA C 55.271 0.184 1 923 236 240 GLU CB C 29.342 0.567 1 924 236 240 GLU N N 118.325 0.125 1 925 237 241 GLY H H 8.015 0.006 1 926 237 241 GLY C C 174.691 0.167 1 927 237 241 GLY CA C 44.499 0.184 1 928 237 241 GLY N N 107.805 0.125 1 929 238 242 ARG H H 8.536 0.006 1 930 238 242 ARG C C 175.856 0.167 1 931 238 242 ARG CA C 55.704 0.184 1 932 238 242 ARG CB C 28.888 0.567 1 933 238 242 ARG N N 122.146 0.125 1 934 239 243 LEU H H 7.417 0.006 1 935 239 243 LEU C C 176.623 0.167 1 936 239 243 LEU CA C 55.301 0.184 1 937 239 243 LEU CB C 41.912 0.567 1 938 239 243 LEU N N 122.521 0.125 1 939 240 244 VAL H H 8.912 0.006 1 940 240 244 VAL C C 175.713 0.167 1 941 240 244 VAL CA C 60.74 0.184 1 942 240 244 VAL CB C 33.006 0.567 1 943 240 244 VAL N N 121.64 0.125 1 944 241 245 GLY H H 7.265 0.006 1 945 241 245 GLY C C 169.948 0.167 1 946 241 245 GLY CA C 44.994 0.184 1 947 241 245 GLY N N 108.771 0.125 1 948 242 246 ILE H H 8.085 0.006 1 949 242 246 ILE C C 175.118 0.167 1 950 242 246 ILE CA C 58.658 0.184 1 951 242 246 ILE CB C 42.207 0.567 1 952 242 246 ILE N N 112.578 0.125 1 953 243 247 VAL H H 8.936 0.006 1 954 243 247 VAL C C 173.328 0.167 1 955 243 247 VAL CA C 59.646 0.184 1 956 243 247 VAL CB C 33.913 0.567 1 957 243 247 VAL N N 121.34 0.125 1 958 244 248 THR H H 8.511 0.006 1 959 244 248 THR C C 176.197 0.167 1 960 244 248 THR CA C 59.448 0.184 1 961 244 248 THR CB C 72.013 0.567 1 962 244 248 THR N N 116.021 0.125 1 963 250 254 ASP H H 8.086 0.006 1 964 250 254 ASP C C 176.503 0.167 1 965 250 254 ASP CA C 54.515 0.184 1 966 250 254 ASP CB C 40.015 0.567 1 967 250 254 ASP N N 120.058 0.125 1 968 251 255 VAL H H 7.714 0.006 1 969 251 255 VAL C C 176.39 0.167 1 970 251 255 VAL CA C 62.395 0.184 1 971 251 255 VAL CB C 31.604 0.567 1 972 251 255 VAL N N 119.26 0.125 1 973 252 256 LEU H H 7.987 0.006 1 974 252 256 LEU C C 177.561 0.167 1 975 252 256 LEU CA C 55.103 0.184 1 976 252 256 LEU CB C 41.252 0.567 1 977 252 256 LEU N N 124.519 0.125 1 978 253 257 GLU H H 8.133 0.006 1 979 253 257 GLU C C 176.164 0.167 1 980 253 257 GLU CA C 56.075 0.184 1 981 253 257 GLU CB C 29.177 0.567 1 982 253 257 GLU N N 121.688 0.125 1 983 254 258 ALA H H 7.977 0.006 1 984 254 258 ALA C C 177.674 0.167 1 985 254 258 ALA CA C 52.159 0.184 1 986 254 258 ALA CB C 18.656 0.567 1 987 254 258 ALA N N 125.272 0.125 1 988 255 259 GLU H H 8.136 0.006 1 989 255 259 GLU C C 176.112 0.167 1 990 255 259 GLU CA C 55.977 0.184 1 991 255 259 GLU CB C 29.377 0.567 1 992 255 259 GLU N N 120.396 0.125 1 993 256 260 ALA H H 8.151 0.006 1 994 256 260 ALA C C 177.674 0.167 1 995 256 260 ALA CA C 52.004 0.184 1 996 256 260 ALA CB C 18.573 0.567 1 997 256 260 ALA N N 125.793 0.125 1 998 257 261 THR H H 8.015 0.006 1 999 257 261 THR C C 174.351 0.167 1 1000 257 261 THR CA C 61.21 0.184 1 1001 257 261 THR CB C 69.539 0.567 1 1002 257 261 THR N N 114.145 0.125 1 1003 258 262 GLU H H 8.256 0.006 1 1004 258 262 GLU C C 175.174 0.167 1 1005 258 262 GLU CA C 55.953 0.184 1 1006 258 262 GLU CB C 29.872 0.567 1 1007 258 262 GLU N N 123.584 0.125 1 1008 259 263 ASP H H 7.875 0.006 1 1009 259 263 ASP C C 180.599 0.167 1 1010 259 263 ASP CA C 55.498 0.184 1 1011 259 263 ASP CB C 41.218 0.567 1 1012 259 263 ASP N N 127.147 0.125 1 stop_ save_