data_26744 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the m1A22 tRNA methyltransferase TrmK from Bacillus subtilis ; _BMRB_accession_number 26744 _BMRB_flat_file_name bmr26744.str _Entry_type original _Submission_date 2016-02-11 _Accession_date 2016-02-11 _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 Degut Clement . . 2 Barraud Pierre . . 3 Larue Valery . . 4 Tisne Carine . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 222 "13C chemical shifts" 660 "15N chemical shifts" 222 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-26 update BMRB 'update entry citation' 2016-07-14 original author 'original release' stop_ _Original_release_date 2016-07-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone resonance assignments of the m1A22 tRNA methyltransferase TrmK from Bacillus subtilis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27098549 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Degut Clement . . 2 Barraud Pierre . . 3 Larue Valery . . 4 Tisne Carine . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 253 _Page_last 257 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TrmK _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TrmK $TrmK stop_ _System_molecular_weight 26000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'm1A22 tRNA methyltransferase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TrmK _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TrmK _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'tRNA m1A22 methyltransferase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 241 _Mol_residue_sequence ; GSHMNELKLSKRLQTVAEYI PNGAVMADIGSDHAYLPSYA VLNHKASGAIAGEITDGPFL SAKRQVEKSGLNSHISVRQG DGLEVIKKGEADAITIAGMG GALIAHILEAGKDKLTGKER LILQPNIHAVHIREWLYKER YALIDEVILEEDGKSYEVLV AEAGDRDAAYDGISLSAGML VGPFLAKEKNAVFLKKWTQE LQHTQSIYEQISQAADTEQN KQKLKELADRMELLKEVIDH G ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 ASN 6 3 GLU 7 4 LEU 8 5 LYS 9 6 LEU 10 7 SER 11 8 LYS 12 9 ARG 13 10 LEU 14 11 GLN 15 12 THR 16 13 VAL 17 14 ALA 18 15 GLU 19 16 TYR 20 17 ILE 21 18 PRO 22 19 ASN 23 20 GLY 24 21 ALA 25 22 VAL 26 23 MET 27 24 ALA 28 25 ASP 29 26 ILE 30 27 GLY 31 28 SER 32 29 ASP 33 30 HIS 34 31 ALA 35 32 TYR 36 33 LEU 37 34 PRO 38 35 SER 39 36 TYR 40 37 ALA 41 38 VAL 42 39 LEU 43 40 ASN 44 41 HIS 45 42 LYS 46 43 ALA 47 44 SER 48 45 GLY 49 46 ALA 50 47 ILE 51 48 ALA 52 49 GLY 53 50 GLU 54 51 ILE 55 52 THR 56 53 ASP 57 54 GLY 58 55 PRO 59 56 PHE 60 57 LEU 61 58 SER 62 59 ALA 63 60 LYS 64 61 ARG 65 62 GLN 66 63 VAL 67 64 GLU 68 65 LYS 69 66 SER 70 67 GLY 71 68 LEU 72 69 ASN 73 70 SER 74 71 HIS 75 72 ILE 76 73 SER 77 74 VAL 78 75 ARG 79 76 GLN 80 77 GLY 81 78 ASP 82 79 GLY 83 80 LEU 84 81 GLU 85 82 VAL 86 83 ILE 87 84 LYS 88 85 LYS 89 86 GLY 90 87 GLU 91 88 ALA 92 89 ASP 93 90 ALA 94 91 ILE 95 92 THR 96 93 ILE 97 94 ALA 98 95 GLY 99 96 MET 100 97 GLY 101 98 GLY 102 99 ALA 103 100 LEU 104 101 ILE 105 102 ALA 106 103 HIS 107 104 ILE 108 105 LEU 109 106 GLU 110 107 ALA 111 108 GLY 112 109 LYS 113 110 ASP 114 111 LYS 115 112 LEU 116 113 THR 117 114 GLY 118 115 LYS 119 116 GLU 120 117 ARG 121 118 LEU 122 119 ILE 123 120 LEU 124 121 GLN 125 122 PRO 126 123 ASN 127 124 ILE 128 125 HIS 129 126 ALA 130 127 VAL 131 128 HIS 132 129 ILE 133 130 ARG 134 131 GLU 135 132 TRP 136 133 LEU 137 134 TYR 138 135 LYS 139 136 GLU 140 137 ARG 141 138 TYR 142 139 ALA 143 140 LEU 144 141 ILE 145 142 ASP 146 143 GLU 147 144 VAL 148 145 ILE 149 146 LEU 150 147 GLU 151 148 GLU 152 149 ASP 153 150 GLY 154 151 LYS 155 152 SER 156 153 TYR 157 154 GLU 158 155 VAL 159 156 LEU 160 157 VAL 161 158 ALA 162 159 GLU 163 160 ALA 164 161 GLY 165 162 ASP 166 163 ARG 167 164 ASP 168 165 ALA 169 166 ALA 170 167 TYR 171 168 ASP 172 169 GLY 173 170 ILE 174 171 SER 175 172 LEU 176 173 SER 177 174 ALA 178 175 GLY 179 176 MET 180 177 LEU 181 178 VAL 182 179 GLY 183 180 PRO 184 181 PHE 185 182 LEU 186 183 ALA 187 184 LYS 188 185 GLU 189 186 LYS 190 187 ASN 191 188 ALA 192 189 VAL 193 190 PHE 194 191 LEU 195 192 LYS 196 193 LYS 197 194 TRP 198 195 THR 199 196 GLN 200 197 GLU 201 198 LEU 202 199 GLN 203 200 HIS 204 201 THR 205 202 GLN 206 203 SER 207 204 ILE 208 205 TYR 209 206 GLU 210 207 GLN 211 208 ILE 212 209 SER 213 210 GLN 214 211 ALA 215 212 ALA 216 213 ASP 217 214 THR 218 215 GLU 219 216 GLN 220 217 ASN 221 218 LYS 222 219 GLN 223 220 LYS 224 221 LEU 225 222 LYS 226 223 GLU 227 224 LEU 228 225 ALA 229 226 ASP 230 227 ARG 231 228 MET 232 229 GLU 233 230 LEU 234 231 LEU 235 232 LYS 236 233 GLU 237 234 VAL 238 235 ILE 239 236 ASP 240 237 HIS 241 238 GLY 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 _Gene_mnemonic $TrmK 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis YqfN 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 $TrmK 'recombinant technology' . Escherichia coli BL21(DE3) pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_TrmK-2H _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TrmK 800 uM '[U-13C; U-15N; U-2H]' stop_ save_ save_TrmK-DSS _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TrmK 200 uM '[U-99% 13C; U-99% 15N]' DSS 1 mM 'natural abundance' stop_ save_ save_TrmK-15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TrmK 800 uM '[U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_GIF_950 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ save_Gif_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_LCRB_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 $TrmK-2H save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $TrmK-2H save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $TrmK-2H save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $TrmK-DSS save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $TrmK-2H save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $TrmK-2H save_ save_3D_HN(CO)CACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $TrmK-2H save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $TrmK-2H save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $TrmK-15N save_ save_3D_HN(CACO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CACO)NH' _Sample_label $TrmK-2H save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $TrmK-15N save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 8.0 . pH pressure 1 . atm temperature 288 . 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_ _Software_label $TOPSPIN $NMRPipe $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HN(CO)CACB' '3D HNCO' '3D 1H-15N NOESY' '3D HN(CACO)NH' stop_ loop_ _Sample_label $TrmK-2H $TrmK-DSS $TrmK-15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TrmK _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 4 MET C C 175.969 0.1 . 2 1 4 MET CA C 55.489 0.1 . 3 1 4 MET CB C 31.923 0.1 . 4 2 5 ASN H H 8.505 0.01 . 5 2 5 ASN C C 174.932 0.1 . 6 2 5 ASN CA C 53.086 0.1 . 7 2 5 ASN CB C 38.032 0.1 . 8 2 5 ASN N N 119.945 0.05 . 9 3 6 GLU H H 8.297 0.01 . 10 3 6 GLU C C 175.750 0.1 . 11 3 6 GLU CA C 56.202 0.1 . 12 3 6 GLU CB C 29.393 0.1 . 13 3 6 GLU N N 121.041 0.05 . 14 4 7 LEU H H 8.044 0.01 . 15 4 7 LEU C C 175.962 0.1 . 16 4 7 LEU CA C 54.703 0.1 . 17 4 7 LEU CB C 41.177 0.1 . 18 4 7 LEU N N 123.691 0.05 . 19 5 8 LYS H H 7.980 0.01 . 20 5 8 LYS C C 175.063 0.1 . 21 5 8 LYS CA C 54.612 0.1 . 22 5 8 LYS CB C 32.077 0.1 . 23 5 8 LYS N N 125.747 0.05 . 24 6 9 LEU H H 8.166 0.01 . 25 6 9 LEU C C 177.282 0.1 . 26 6 9 LEU CA C 53.220 0.1 . 27 6 9 LEU CB C 43.015 0.1 . 28 6 9 LEU N N 124.553 0.05 . 29 7 10 SER H H 7.948 0.01 . 30 7 10 SER C C 174.280 0.1 . 31 7 10 SER CA C 57.095 0.1 . 32 7 10 SER CB C 62.629 0.1 . 33 7 10 SER N N 119.394 0.05 . 34 8 11 LYS H H 10.255 0.01 . 35 8 11 LYS C C 181.048 0.1 . 36 8 11 LYS CA C 59.078 0.1 . 37 8 11 LYS CB C 30.582 0.1 . 38 8 11 LYS N N 125.280 0.05 . 39 9 12 ARG H H 8.876 0.01 . 40 9 12 ARG C C 176.720 0.1 . 41 9 12 ARG CA C 58.984 0.1 . 42 9 12 ARG CB C 29.105 0.1 . 43 9 12 ARG N N 120.688 0.05 . 44 10 13 LEU H H 7.086 0.01 . 45 10 13 LEU C C 179.005 0.1 . 46 10 13 LEU CA C 56.499 0.1 . 47 10 13 LEU CB C 40.288 0.1 . 48 10 13 LEU N N 117.416 0.05 . 49 11 14 GLN H H 8.718 0.01 . 50 11 14 GLN C C 178.738 0.1 . 51 11 14 GLN CA C 58.983 0.1 . 52 11 14 GLN CB C 27.754 0.1 . 53 11 14 GLN N N 121.920 0.05 . 54 12 15 THR H H 7.852 0.01 . 55 12 15 THR C C 175.720 0.1 . 56 12 15 THR CA C 66.631 0.1 . 57 12 15 THR CB C 67.471 0.1 . 58 12 15 THR N N 116.024 0.05 . 59 13 16 VAL H H 7.068 0.01 . 60 13 16 VAL C C 177.347 0.1 . 61 13 16 VAL CA C 66.246 0.1 . 62 13 16 VAL CB C 30.453 0.1 . 63 13 16 VAL N N 120.161 0.05 . 64 14 17 ALA H H 7.879 0.01 . 65 14 17 ALA C C 179.186 0.1 . 66 14 17 ALA CA C 53.437 0.1 . 67 14 17 ALA CB C 16.881 0.1 . 68 14 17 ALA N N 117.494 0.05 . 69 15 18 GLU H H 7.449 0.01 . 70 15 18 GLU C C 177.731 0.1 . 71 15 18 GLU CA C 57.507 0.1 . 72 15 18 GLU CB C 28.310 0.1 . 73 15 18 GLU N N 115.961 0.05 . 74 16 19 TYR H H 7.397 0.01 . 75 16 19 TYR C C 175.345 0.1 . 76 16 19 TYR CA C 58.481 0.1 . 77 16 19 TYR CB C 39.081 0.1 . 78 16 19 TYR N N 114.762 0.05 . 79 17 20 ILE H H 7.349 0.01 . 80 17 20 ILE CA C 59.759 0.1 . 81 17 20 ILE CB C 37.718 0.1 . 82 17 20 ILE N N 123.728 0.05 . 83 18 21 PRO C C 175.750 0.1 . 84 18 21 PRO CA C 62.186 0.1 . 85 18 21 PRO CB C 31.161 0.1 . 86 19 22 ASN H H 8.493 0.01 . 87 19 22 ASN C C 177.723 0.1 . 88 19 22 ASN CA C 54.997 0.1 . 89 19 22 ASN CB C 37.843 0.1 . 90 19 22 ASN N N 121.026 0.05 . 91 20 23 GLY H H 8.760 0.01 . 92 20 23 GLY C C 174.880 0.1 . 93 20 23 GLY CA C 44.864 0.1 . 94 20 23 GLY N N 114.034 0.05 . 95 21 24 ALA H H 8.077 0.01 . 96 21 24 ALA C C 178.450 0.1 . 97 21 24 ALA CA C 52.289 0.1 . 98 21 24 ALA CB C 19.628 0.1 . 99 21 24 ALA N N 124.592 0.05 . 100 22 25 VAL H H 9.315 0.01 . 101 22 25 VAL C C 176.770 0.1 . 102 22 25 VAL CA C 62.625 0.1 . 103 22 25 VAL CB C 30.800 0.1 . 104 22 25 VAL N N 121.769 0.05 . 105 23 26 MET H H 8.197 0.01 . 106 23 26 MET C C 173.301 0.1 . 107 23 26 MET CA C 51.758 0.1 . 108 23 26 MET CB C 35.003 0.1 . 109 23 26 MET N N 125.303 0.05 . 110 24 27 ALA H H 8.858 0.01 . 111 24 27 ALA C C 173.434 0.1 . 112 24 27 ALA CA C 49.659 0.1 . 113 24 27 ALA CB C 20.625 0.1 . 114 24 27 ALA N N 125.284 0.05 . 115 25 28 ASP H H 8.895 0.01 . 116 25 28 ASP C C 175.145 0.1 . 117 25 28 ASP CA C 51.820 0.1 . 118 25 28 ASP CB C 42.641 0.1 . 119 25 28 ASP N N 122.963 0.05 . 120 26 29 ILE H H 8.637 0.01 . 121 26 29 ILE C C 175.934 0.1 . 122 26 29 ILE CA C 58.097 0.1 . 123 26 29 ILE CB C 34.366 0.1 . 124 26 29 ILE N N 128.458 0.05 . 125 27 30 GLY H H 7.912 0.01 . 126 27 30 GLY CA C 46.522 0.1 . 127 27 30 GLY N N 119.464 0.05 . 128 28 31 SER C C 177.767 0.1 . 129 28 31 SER CA C 57.875 0.1 . 130 28 31 SER CB C 62.707 0.1 . 131 29 32 ASP H H 9.067 0.01 . 132 29 32 ASP CA C 54.233 0.1 . 133 29 32 ASP CB C 38.856 0.1 . 134 29 32 ASP N N 131.253 0.05 . 135 31 34 ALA C C 178.529 0.1 . 136 31 34 ALA CA C 52.760 0.1 . 137 31 34 ALA CB C 16.403 0.1 . 138 32 35 TYR H H 8.280 0.01 . 139 32 35 TYR C C 178.082 0.1 . 140 32 35 TYR CA C 59.932 0.1 . 141 32 35 TYR CB C 35.709 0.1 . 142 32 35 TYR N N 123.780 0.05 . 143 33 36 LEU H H 9.850 0.01 . 144 33 36 LEU CA C 59.583 0.1 . 145 33 36 LEU CB C 37.455 0.1 . 146 33 36 LEU N N 120.187 0.05 . 147 34 37 PRO C C 176.827 0.1 . 148 34 37 PRO CA C 65.453 0.1 . 149 34 37 PRO CB C 30.120 0.1 . 150 35 38 SER H H 7.576 0.01 . 151 35 38 SER C C 174.292 0.1 . 152 35 38 SER CA C 62.825 0.1 . 153 35 38 SER CB C 61.906 0.1 . 154 35 38 SER N N 113.484 0.05 . 155 36 39 TYR H H 8.726 0.01 . 156 36 39 TYR C C 178.187 0.1 . 157 36 39 TYR CA C 61.183 0.1 . 158 36 39 TYR CB C 38.410 0.1 . 159 36 39 TYR N N 123.292 0.05 . 160 37 40 ALA H H 8.783 0.01 . 161 37 40 ALA C C 179.508 0.1 . 162 37 40 ALA CA C 54.681 0.1 . 163 37 40 ALA CB C 18.031 0.1 . 164 37 40 ALA N N 120.646 0.05 . 165 38 41 VAL H H 8.191 0.01 . 166 38 41 VAL CA C 64.849 0.1 . 167 38 41 VAL N N 119.336 0.05 . 168 43 46 ALA H H 6.903 0.01 . 169 43 46 ALA C C 177.073 0.1 . 170 43 46 ALA CA C 49.143 0.1 . 171 43 46 ALA CB C 20.922 0.1 . 172 43 46 ALA N N 116.916 0.05 . 173 44 47 SER H H 8.576 0.01 . 174 44 47 SER C C 174.857 0.1 . 175 44 47 SER CA C 58.789 0.1 . 176 44 47 SER CB C 63.163 0.1 . 177 44 47 SER N N 116.597 0.05 . 178 45 48 GLY H H 7.525 0.01 . 179 45 48 GLY C C 171.388 0.1 . 180 45 48 GLY CA C 44.153 0.1 . 181 45 48 GLY N N 107.368 0.05 . 182 46 49 ALA H H 8.832 0.01 . 183 46 49 ALA C C 175.244 0.1 . 184 46 49 ALA CA C 50.221 0.1 . 185 46 49 ALA CB C 24.455 0.1 . 186 46 49 ALA N N 119.337 0.05 . 187 47 50 ILE H H 8.991 0.01 . 188 47 50 ILE C C 173.938 0.1 . 189 47 50 ILE CA C 59.912 0.1 . 190 47 50 ILE CB C 41.228 0.1 . 191 47 50 ILE N N 124.245 0.05 . 192 48 51 ALA H H 9.131 0.01 . 193 48 51 ALA C C 174.934 0.1 . 194 48 51 ALA CA C 49.157 0.1 . 195 48 51 ALA CB C 19.371 0.1 . 196 48 51 ALA N N 130.629 0.05 . 197 49 52 GLY H H 9.085 0.01 . 198 49 52 GLY C C 173.987 0.1 . 199 49 52 GLY CA C 45.217 0.1 . 200 49 52 GLY N N 111.028 0.05 . 201 50 53 GLU H H 8.914 0.01 . 202 50 53 GLU C C 175.551 0.1 . 203 50 53 GLU CA C 52.525 0.1 . 204 50 53 GLU CB C 30.510 0.1 . 205 50 53 GLU N N 123.365 0.05 . 206 51 54 ILE H H 9.100 0.01 . 207 51 54 ILE CA C 63.163 0.1 . 208 51 54 ILE CB C 38.164 0.1 . 209 51 54 ILE N N 121.582 0.05 . 210 52 55 THR H H 7.062 0.01 . 211 52 55 THR C C 175.155 0.1 . 212 52 55 THR CA C 59.778 0.1 . 213 52 55 THR CB C 70.687 0.1 . 214 52 55 THR N N 108.796 0.05 . 215 53 56 ASP H H 8.346 0.01 . 216 53 56 ASP C C 177.819 0.1 . 217 53 56 ASP CA C 57.905 0.1 . 218 53 56 ASP CB C 40.461 0.1 . 219 53 56 ASP N N 119.760 0.05 . 220 54 57 GLY H H 8.904 0.01 . 221 54 57 GLY CA C 47.945 0.1 . 222 54 57 GLY N N 107.949 0.05 . 223 55 58 PRO C C 179.518 0.1 . 224 55 58 PRO CA C 63.937 0.1 . 225 55 58 PRO CB C 31.613 0.1 . 226 56 59 PHE H H 7.728 0.01 . 227 56 59 PHE C C 175.502 0.1 . 228 56 59 PHE CA C 61.111 0.1 . 229 56 59 PHE CB C 38.505 0.1 . 230 56 59 PHE N N 118.850 0.05 . 231 57 60 LEU H H 8.437 0.01 . 232 57 60 LEU C C 180.327 0.1 . 233 57 60 LEU CA C 57.397 0.1 . 234 57 60 LEU CB C 40.380 0.1 . 235 57 60 LEU N N 120.637 0.05 . 236 58 61 SER H H 8.437 0.01 . 237 58 61 SER C C 177.382 0.1 . 238 58 61 SER CA C 61.084 0.1 . 239 58 61 SER CB C 61.263 0.1 . 240 58 61 SER N N 114.873 0.05 . 241 59 62 ALA H H 7.731 0.01 . 242 59 62 ALA C C 178.287 0.1 . 243 59 62 ALA CA C 54.483 0.1 . 244 59 62 ALA CB C 17.799 0.1 . 245 59 62 ALA N N 125.671 0.05 . 246 60 63 LYS H H 8.157 0.01 . 247 60 63 LYS C C 179.351 0.1 . 248 60 63 LYS CA C 59.813 0.1 . 249 60 63 LYS CB C 31.089 0.1 . 250 60 63 LYS N N 119.008 0.05 . 251 61 64 ARG H H 8.075 0.01 . 252 61 64 ARG C C 178.489 0.1 . 253 61 64 ARG CA C 58.538 0.1 . 254 61 64 ARG CB C 29.162 0.1 . 255 61 64 ARG N N 118.268 0.05 . 256 62 65 GLN H H 7.551 0.01 . 257 62 65 GLN C C 178.593 0.1 . 258 62 65 GLN CA C 58.206 0.1 . 259 62 65 GLN CB C 27.508 0.1 . 260 62 65 GLN N N 120.839 0.05 . 261 63 66 VAL H H 8.019 0.01 . 262 63 66 VAL C C 177.820 0.1 . 263 63 66 VAL CA C 66.773 0.1 . 264 63 66 VAL CB C 30.832 0.1 . 265 63 66 VAL N N 120.632 0.05 . 266 64 67 GLU H H 8.040 0.01 . 267 64 67 GLU C C 180.917 0.1 . 268 64 67 GLU CA C 58.947 0.1 . 269 64 67 GLU CB C 28.838 0.1 . 270 64 67 GLU N N 119.971 0.05 . 271 65 68 LYS H H 8.552 0.01 . 272 65 68 LYS C C 178.712 0.1 . 273 65 68 LYS CA C 58.600 0.1 . 274 65 68 LYS CB C 30.973 0.1 . 275 65 68 LYS N N 121.820 0.05 . 276 66 69 SER H H 7.780 0.01 . 277 66 69 SER C C 174.296 0.1 . 278 66 69 SER CA C 58.848 0.1 . 279 66 69 SER CB C 63.822 0.1 . 280 66 69 SER N N 112.487 0.05 . 281 67 70 GLY H H 7.858 0.01 . 282 67 70 GLY C C 176.762 0.1 . 283 67 70 GLY CA C 46.142 0.1 . 284 67 70 GLY N N 110.169 0.05 . 285 68 71 LEU H H 7.833 0.01 . 286 68 71 LEU C C 177.458 0.1 . 287 68 71 LEU CA C 53.873 0.1 . 288 68 71 LEU CB C 42.215 0.1 . 289 68 71 LEU N N 118.019 0.05 . 290 69 72 ASN H H 8.686 0.01 . 291 69 72 ASN CA C 56.073 0.1 . 292 69 72 ASN CB C 37.258 0.1 . 293 69 72 ASN N N 120.810 0.05 . 294 70 73 SER H H 8.583 0.01 . 295 70 73 SER C C 174.492 0.1 . 296 70 73 SER CA C 59.720 0.1 . 297 70 73 SER CB C 62.049 0.1 . 298 70 73 SER N N 112.130 0.05 . 299 71 74 HIS H H 7.665 0.01 . 300 71 74 HIS C C 173.741 0.1 . 301 71 74 HIS CA C 56.410 0.1 . 302 71 74 HIS CB C 33.451 0.1 . 303 71 74 HIS N N 117.574 0.05 . 304 72 75 ILE H H 7.690 0.01 . 305 72 75 ILE C C 173.721 0.1 . 306 72 75 ILE CA C 59.450 0.1 . 307 72 75 ILE CB C 38.481 0.1 . 308 72 75 ILE N N 118.665 0.05 . 309 73 76 SER H H 8.272 0.01 . 310 73 76 SER C C 173.944 0.1 . 311 73 76 SER CA C 55.553 0.1 . 312 73 76 SER CB C 63.169 0.1 . 313 73 76 SER N N 121.197 0.05 . 314 74 77 VAL H H 8.818 0.01 . 315 74 77 VAL C C 175.602 0.1 . 316 74 77 VAL CA C 61.567 0.1 . 317 74 77 VAL CB C 30.338 0.1 . 318 74 77 VAL N N 130.753 0.05 . 319 75 78 ARG H H 8.979 0.01 . 320 75 78 ARG C C 173.401 0.1 . 321 75 78 ARG CA C 54.550 0.1 . 322 75 78 ARG CB C 34.849 0.1 . 323 75 78 ARG N N 127.178 0.05 . 324 76 79 GLN H H 8.666 0.01 . 325 76 79 GLN C C 175.775 0.1 . 326 76 79 GLN CA C 52.746 0.1 . 327 76 79 GLN CB C 27.871 0.1 . 328 76 79 GLN N N 124.174 0.05 . 329 77 80 GLY H H 8.581 0.01 . 330 77 80 GLY C C 170.462 0.1 . 331 77 80 GLY CA C 44.462 0.1 . 332 77 80 GLY N N 115.410 0.05 . 333 78 81 ASP H H 8.664 0.01 . 334 78 81 ASP C C 177.006 0.1 . 335 78 81 ASP CA C 52.918 0.1 . 336 78 81 ASP CB C 40.443 0.1 . 337 78 81 ASP N N 119.385 0.05 . 338 79 82 GLY H H 7.722 0.01 . 339 79 82 GLY C C 175.206 0.1 . 340 79 82 GLY CA C 46.686 0.1 . 341 79 82 GLY N N 114.092 0.05 . 342 80 83 LEU H H 9.378 0.01 . 343 80 83 LEU C C 176.166 0.1 . 344 80 83 LEU CA C 55.630 0.1 . 345 80 83 LEU CB C 38.912 0.1 . 346 80 83 LEU N N 124.807 0.05 . 347 81 84 GLU H H 8.024 0.01 . 348 81 84 GLU C C 177.137 0.1 . 349 81 84 GLU CA C 58.534 0.1 . 350 81 84 GLU CB C 29.462 0.1 . 351 81 84 GLU N N 119.924 0.05 . 352 82 85 VAL H H 6.241 0.01 . 353 82 85 VAL C C 175.615 0.1 . 354 82 85 VAL CA C 61.513 0.1 . 355 82 85 VAL CB C 30.538 0.1 . 356 82 85 VAL N N 102.190 0.05 . 357 83 86 ILE H H 7.209 0.01 . 358 83 86 ILE C C 174.487 0.1 . 359 83 86 ILE CA C 58.998 0.1 . 360 83 86 ILE CB C 39.460 0.1 . 361 83 86 ILE N N 114.077 0.05 . 362 84 87 LYS H H 8.701 0.01 . 363 84 87 LYS C C 177.008 0.1 . 364 84 87 LYS CA C 53.855 0.1 . 365 84 87 LYS CB C 32.349 0.1 . 366 84 87 LYS N N 121.204 0.05 . 367 85 88 LYS H H 8.778 0.01 . 368 85 88 LYS C C 178.520 0.1 . 369 85 88 LYS CA C 57.918 0.1 . 370 85 88 LYS CB C 31.612 0.1 . 371 85 88 LYS N N 124.780 0.05 . 372 86 89 GLY H H 9.143 0.01 . 373 86 89 GLY C C 174.425 0.1 . 374 86 89 GLY CA C 45.342 0.1 . 375 86 89 GLY N N 116.960 0.05 . 376 87 90 GLU H H 8.018 0.01 . 377 87 90 GLU C C 176.113 0.1 . 378 87 90 GLU CA C 58.124 0.1 . 379 87 90 GLU CB C 30.832 0.1 . 380 87 90 GLU N N 121.699 0.05 . 381 88 91 ALA H H 8.724 0.01 . 382 88 91 ALA C C 175.632 0.1 . 383 88 91 ALA CA C 49.861 0.1 . 384 88 91 ALA CB C 20.492 0.1 . 385 88 91 ALA N N 119.215 0.05 . 386 89 92 ASP H H 8.888 0.01 . 387 89 92 ASP C C 176.231 0.1 . 388 89 92 ASP CA C 54.387 0.1 . 389 89 92 ASP CB C 42.857 0.1 . 390 89 92 ASP N N 117.289 0.05 . 391 90 93 ALA H H 7.852 0.01 . 392 90 93 ALA C C 174.422 0.1 . 393 90 93 ALA CA C 50.062 0.1 . 394 90 93 ALA CB C 20.236 0.1 . 395 90 93 ALA N N 120.318 0.05 . 396 91 94 ILE H H 8.990 0.01 . 397 91 94 ILE C C 174.063 0.1 . 398 91 94 ILE CA C 58.657 0.1 . 399 91 94 ILE CB C 39.461 0.1 . 400 91 94 ILE N N 125.155 0.05 . 401 92 95 THR H H 9.506 0.01 . 402 92 95 THR C C 173.918 0.1 . 403 92 95 THR CA C 58.044 0.1 . 404 92 95 THR CB C 69.065 0.1 . 405 92 95 THR N N 119.246 0.05 . 406 93 96 ILE H H 7.886 0.01 . 407 93 96 ILE C C 173.684 0.1 . 408 93 96 ILE CA C 61.579 0.1 . 409 93 96 ILE CB C 38.025 0.1 . 410 93 96 ILE N N 119.435 0.05 . 411 94 97 ALA H H 9.702 0.01 . 412 94 97 ALA C C 176.668 0.1 . 413 94 97 ALA CA C 49.264 0.1 . 414 94 97 ALA CB C 22.367 0.1 . 415 94 97 ALA N N 130.942 0.05 . 416 95 98 GLY H H 8.047 0.01 . 417 95 98 GLY C C 174.223 0.1 . 418 95 98 GLY CA C 46.834 0.1 . 419 95 98 GLY N N 105.700 0.05 . 420 96 99 MET H H 6.766 0.01 . 421 96 99 MET C C 176.135 0.1 . 422 96 99 MET CA C 52.889 0.1 . 423 96 99 MET CB C 38.002 0.1 . 424 96 99 MET N N 113.453 0.05 . 425 97 100 GLY H H 9.033 0.01 . 426 97 100 GLY C C 174.174 0.1 . 427 97 100 GLY CA C 45.966 0.1 . 428 97 100 GLY N N 110.245 0.05 . 429 98 101 GLY H H 8.671 0.01 . 430 98 101 GLY C C 175.486 0.1 . 431 98 101 GLY CA C 47.946 0.1 . 432 98 101 GLY N N 110.340 0.05 . 433 99 102 ALA H H 9.310 0.01 . 434 99 102 ALA C C 180.174 0.1 . 435 99 102 ALA CA C 55.005 0.1 . 436 99 102 ALA CB C 16.744 0.1 . 437 99 102 ALA N N 123.400 0.05 . 438 100 103 LEU H H 7.447 0.01 . 439 100 103 LEU C C 178.799 0.1 . 440 100 103 LEU CA C 57.139 0.1 . 441 100 103 LEU CB C 39.971 0.1 . 442 100 103 LEU N N 122.217 0.05 . 443 101 104 ILE H H 8.016 0.01 . 444 101 104 ILE C C 177.105 0.1 . 445 101 104 ILE CA C 66.742 0.1 . 446 101 104 ILE CB C 39.975 0.1 . 447 101 104 ILE N N 118.940 0.05 . 448 102 105 ALA H H 8.000 0.01 . 449 102 105 ALA C C 178.475 0.1 . 450 102 105 ALA CA C 54.945 0.1 . 451 102 105 ALA CB C 16.782 0.1 . 452 102 105 ALA N N 119.375 0.05 . 453 103 106 HIS H H 7.958 0.01 . 454 103 106 HIS C C 176.982 0.1 . 455 103 106 HIS CA C 58.965 0.1 . 456 103 106 HIS CB C 28.131 0.1 . 457 103 106 HIS N N 117.937 0.05 . 458 104 107 ILE H H 8.343 0.01 . 459 104 107 ILE C C 179.450 0.1 . 460 104 107 ILE CA C 64.593 0.1 . 461 104 107 ILE CB C 37.305 0.1 . 462 104 107 ILE N N 122.064 0.05 . 463 105 108 LEU H H 7.554 0.01 . 464 105 108 LEU C C 176.560 0.1 . 465 105 108 LEU CA C 57.249 0.1 . 466 105 108 LEU CB C 37.068 0.1 . 467 105 108 LEU N N 121.769 0.05 . 468 106 109 GLU H H 7.615 0.01 . 469 106 109 GLU C C 180.024 0.1 . 470 106 109 GLU CA C 58.674 0.1 . 471 106 109 GLU CB C 28.380 0.1 . 472 106 109 GLU N N 117.179 0.05 . 473 107 110 ALA H H 8.426 0.01 . 474 107 110 ALA C C 179.344 0.1 . 475 107 110 ALA CA C 53.654 0.1 . 476 107 110 ALA CB C 17.112 0.1 . 477 107 110 ALA N N 119.961 0.05 . 478 108 111 GLY H H 7.501 0.01 . 479 108 111 GLY C C 175.362 0.1 . 480 108 111 GLY CA C 44.740 0.1 . 481 108 111 GLY N N 104.494 0.05 . 482 109 112 LYS H H 7.190 0.01 . 483 109 112 LYS C C 178.175 0.1 . 484 109 112 LYS CA C 59.630 0.1 . 485 109 112 LYS CB C 30.649 0.1 . 486 109 112 LYS N N 120.980 0.05 . 487 110 113 ASP H H 8.676 0.01 . 488 110 113 ASP C C 177.574 0.1 . 489 110 113 ASP CA C 55.342 0.1 . 490 110 113 ASP CB C 39.230 0.1 . 491 110 113 ASP N N 119.257 0.05 . 492 111 114 LYS H H 8.395 0.01 . 493 111 114 LYS C C 175.562 0.1 . 494 111 114 LYS CA C 54.555 0.1 . 495 111 114 LYS CB C 31.447 0.1 . 496 111 114 LYS N N 117.695 0.05 . 497 112 115 LEU H H 7.375 0.01 . 498 112 115 LEU CA C 53.002 0.1 . 499 112 115 LEU CB C 40.539 0.1 . 500 112 115 LEU N N 118.128 0.05 . 501 113 116 THR C C 178.174 0.1 . 502 114 117 GLY H H 8.295 0.01 . 503 114 117 GLY C C 175.033 0.1 . 504 114 117 GLY CA C 44.793 0.1 . 505 114 117 GLY N N 108.840 0.05 . 506 115 118 LYS H H 8.094 0.01 . 507 115 118 LYS CA C 55.562 0.1 . 508 115 118 LYS CB C 31.624 0.1 . 509 115 118 LYS N N 120.338 0.05 . 510 117 120 ARG C C 174.569 0.1 . 511 117 120 ARG CA C 55.142 0.1 . 512 117 120 ARG CB C 31.573 0.1 . 513 118 121 LEU H H 9.204 0.01 . 514 118 121 LEU C C 175.467 0.1 . 515 118 121 LEU CA C 52.781 0.1 . 516 118 121 LEU CB C 42.498 0.1 . 517 118 121 LEU N N 128.216 0.05 . 518 119 122 ILE H H 9.021 0.01 . 519 119 122 ILE C C 173.671 0.1 . 520 119 122 ILE CA C 60.909 0.1 . 521 119 122 ILE CB C 37.883 0.1 . 522 119 122 ILE N N 124.173 0.05 . 523 120 123 LEU H H 9.260 0.01 . 524 120 123 LEU C C 175.263 0.1 . 525 120 123 LEU CA C 52.010 0.1 . 526 120 123 LEU CB C 42.894 0.1 . 527 120 123 LEU N N 125.583 0.05 . 528 121 124 GLN H H 9.329 0.01 . 529 121 124 GLN CA C 51.814 0.1 . 530 121 124 GLN CB C 30.113 0.1 . 531 121 124 GLN N N 124.092 0.05 . 532 122 125 PRO C C 178.632 0.1 . 533 122 125 PRO CA C 59.873 0.1 . 534 122 125 PRO CB C 31.277 0.1 . 535 123 126 ASN H H 8.633 0.01 . 536 123 126 ASN C C 174.276 0.1 . 537 123 126 ASN CA C 53.684 0.1 . 538 123 126 ASN CB C 37.621 0.1 . 539 123 126 ASN N N 122.188 0.05 . 540 124 127 ILE H H 7.212 0.01 . 541 124 127 ILE C C 173.510 0.1 . 542 124 127 ILE CA C 59.832 0.1 . 543 124 127 ILE CB C 39.517 0.1 . 544 124 127 ILE N N 112.744 0.05 . 545 125 128 HIS H H 8.694 0.01 . 546 125 128 HIS C C 175.410 0.1 . 547 125 128 HIS CA C 55.889 0.1 . 548 125 128 HIS CB C 27.901 0.1 . 549 125 128 HIS N N 121.072 0.05 . 550 126 129 ALA H H 9.686 0.01 . 551 126 129 ALA C C 179.316 0.1 . 552 126 129 ALA CA C 55.145 0.1 . 553 126 129 ALA CB C 18.253 0.1 . 554 126 129 ALA N N 123.583 0.05 . 555 127 130 VAL H H 8.712 0.01 . 556 127 130 VAL C C 175.116 0.1 . 557 127 130 VAL CA C 62.903 0.1 . 558 127 130 VAL CB C 30.512 0.1 . 559 127 130 VAL N N 119.390 0.05 . 560 128 131 HIS H H 6.773 0.01 . 561 128 131 HIS C C 179.867 0.1 . 562 128 131 HIS CA C 57.970 0.1 . 563 128 131 HIS CB C 29.426 0.1 . 564 128 131 HIS N N 118.756 0.05 . 565 129 132 ILE H H 7.871 0.01 . 566 129 132 ILE C C 177.356 0.1 . 567 129 132 ILE CA C 64.227 0.1 . 568 129 132 ILE CB C 37.150 0.1 . 569 129 132 ILE N N 118.034 0.05 . 570 130 133 ARG H H 7.807 0.01 . 571 130 133 ARG C C 179.919 0.1 . 572 130 133 ARG CA C 61.614 0.1 . 573 130 133 ARG CB C 27.279 0.1 . 574 130 133 ARG N N 119.217 0.05 . 575 131 134 GLU H H 8.574 0.01 . 576 131 134 GLU C C 178.738 0.1 . 577 131 134 GLU CA C 59.543 0.1 . 578 131 134 GLU CB C 29.331 0.1 . 579 131 134 GLU N N 119.369 0.05 . 580 132 135 TRP H H 7.436 0.01 . 581 132 135 TRP C C 177.178 0.1 . 582 132 135 TRP CA C 62.978 0.1 . 583 132 135 TRP CB C 28.646 0.1 . 584 132 135 TRP N N 123.372 0.05 . 585 133 136 LEU H H 9.111 0.01 . 586 133 136 LEU C C 178.045 0.1 . 587 133 136 LEU CA C 57.193 0.1 . 588 133 136 LEU CB C 40.920 0.1 . 589 133 136 LEU N N 116.361 0.05 . 590 134 137 TYR H H 7.823 0.01 . 591 134 137 TYR C C 179.770 0.1 . 592 134 137 TYR CA C 62.163 0.1 . 593 134 137 TYR CB C 39.404 0.1 . 594 134 137 TYR N N 117.584 0.05 . 595 135 138 LYS H H 7.871 0.01 . 596 135 138 LYS C C 177.820 0.1 . 597 135 138 LYS CA C 58.667 0.1 . 598 135 138 LYS CB C 30.603 0.1 . 599 135 138 LYS N N 121.634 0.05 . 600 136 139 GLU H H 7.396 0.01 . 601 136 139 GLU C C 174.204 0.1 . 602 136 139 GLU CA C 54.538 0.1 . 603 136 139 GLU CB C 27.401 0.1 . 604 136 139 GLU N N 116.115 0.05 . 605 137 140 ARG H H 7.578 0.01 . 606 137 140 ARG C C 174.529 0.1 . 607 137 140 ARG CA C 57.874 0.1 . 608 137 140 ARG CB C 24.344 0.1 . 609 137 140 ARG N N 112.917 0.05 . 610 138 141 TYR H H 8.512 0.01 . 611 138 141 TYR C C 174.489 0.1 . 612 138 141 TYR CA C 58.648 0.1 . 613 138 141 TYR CB C 40.836 0.1 . 614 138 141 TYR N N 116.409 0.05 . 615 139 142 ALA H H 8.986 0.01 . 616 139 142 ALA C C 177.452 0.1 . 617 139 142 ALA CA C 50.102 0.1 . 618 139 142 ALA CB C 19.386 0.1 . 619 139 142 ALA N N 122.070 0.05 . 620 140 143 LEU H H 8.078 0.01 . 621 140 143 LEU C C 176.825 0.1 . 622 140 143 LEU CA C 54.319 0.1 . 623 140 143 LEU CB C 42.250 0.1 . 624 140 143 LEU N N 123.574 0.05 . 625 141 144 ILE H H 9.221 0.01 . 626 141 144 ILE C C 175.556 0.1 . 627 141 144 ILE CA C 60.532 0.1 . 628 141 144 ILE CB C 37.929 0.1 . 629 141 144 ILE N N 119.390 0.05 . 630 142 145 ASP H H 7.377 0.01 . 631 142 145 ASP C C 173.987 0.1 . 632 142 145 ASP CA C 52.794 0.1 . 633 142 145 ASP CB C 42.246 0.1 . 634 142 145 ASP N N 118.557 0.05 . 635 143 146 GLU H H 7.839 0.01 . 636 143 146 GLU C C 174.705 0.1 . 637 143 146 GLU CA C 54.991 0.1 . 638 143 146 GLU CB C 37.534 0.1 . 639 143 146 GLU N N 115.205 0.05 . 640 144 147 VAL H H 8.981 0.01 . 641 144 147 VAL C C 174.580 0.1 . 642 144 147 VAL CA C 59.930 0.1 . 643 144 147 VAL CB C 35.927 0.1 . 644 144 147 VAL N N 119.719 0.05 . 645 145 148 ILE H H 9.195 0.01 . 646 145 148 ILE C C 172.783 0.1 . 647 145 148 ILE CA C 59.319 0.1 . 648 145 148 ILE CB C 38.946 0.1 . 649 145 148 ILE N N 123.975 0.05 . 650 146 149 LEU H H 8.737 0.01 . 651 146 149 LEU C C 173.593 0.1 . 652 146 149 LEU CA C 52.929 0.1 . 653 146 149 LEU CB C 44.106 0.1 . 654 146 149 LEU N N 126.395 0.05 . 655 147 150 GLU H H 8.621 0.01 . 656 147 150 GLU C C 175.571 0.1 . 657 147 150 GLU CA C 53.775 0.1 . 658 147 150 GLU CB C 31.853 0.1 . 659 147 150 GLU N N 120.620 0.05 . 660 148 151 GLU H H 9.110 0.01 . 661 148 151 GLU C C 175.591 0.1 . 662 148 151 GLU CA C 56.046 0.1 . 663 148 151 GLU CB C 31.797 0.1 . 664 148 151 GLU N N 124.680 0.05 . 665 149 152 ASP H H 9.538 0.01 . 666 149 152 ASP C C 175.871 0.1 . 667 149 152 ASP CA C 55.135 0.1 . 668 149 152 ASP CB C 39.344 0.1 . 669 149 152 ASP N N 128.087 0.05 . 670 150 153 GLY H H 8.801 0.01 . 671 150 153 GLY C C 173.764 0.1 . 672 150 153 GLY CA C 45.121 0.1 . 673 150 153 GLY N N 103.928 0.05 . 674 151 154 LYS H H 7.680 0.01 . 675 151 154 LYS C C 174.084 0.1 . 676 151 154 LYS CA C 54.068 0.1 . 677 151 154 LYS CB C 34.166 0.1 . 678 151 154 LYS N N 121.942 0.05 . 679 152 155 SER H H 8.054 0.01 . 680 152 155 SER C C 173.575 0.1 . 681 152 155 SER CA C 56.197 0.1 . 682 152 155 SER CB C 64.892 0.1 . 683 152 155 SER N N 115.948 0.05 . 684 153 156 TYR H H 9.103 0.01 . 685 153 156 TYR C C 173.593 0.1 . 686 153 156 TYR CA C 57.187 0.1 . 687 153 156 TYR CB C 41.572 0.1 . 688 153 156 TYR N N 118.734 0.05 . 689 154 157 GLU H H 7.996 0.01 . 690 154 157 GLU C C 175.849 0.1 . 691 154 157 GLU CA C 54.077 0.1 . 692 154 157 GLU CB C 32.415 0.1 . 693 154 157 GLU N N 120.653 0.05 . 694 155 158 VAL H H 9.203 0.01 . 695 155 158 VAL C C 173.684 0.1 . 696 155 158 VAL CA C 61.210 0.1 . 697 155 158 VAL CB C 33.606 0.1 . 698 155 158 VAL N N 119.968 0.05 . 699 156 159 LEU H H 9.483 0.01 . 700 156 159 LEU C C 174.609 0.1 . 701 156 159 LEU CA C 54.637 0.1 . 702 156 159 LEU CB C 44.284 0.1 . 703 156 159 LEU N N 127.859 0.05 . 704 157 160 VAL H H 7.816 0.01 . 705 157 160 VAL C C 174.761 0.1 . 706 157 160 VAL CA C 60.470 0.1 . 707 157 160 VAL CB C 32.130 0.1 . 708 157 160 VAL N N 120.898 0.05 . 709 158 161 ALA H H 9.573 0.01 . 710 158 161 ALA C C 175.247 0.1 . 711 158 161 ALA CA C 50.489 0.1 . 712 158 161 ALA CB C 25.473 0.1 . 713 158 161 ALA N N 130.444 0.05 . 714 159 162 GLU H H 8.849 0.01 . 715 159 162 GLU C C 174.483 0.1 . 716 159 162 GLU CA C 54.651 0.1 . 717 159 162 GLU CB C 33.754 0.1 . 718 159 162 GLU N N 117.726 0.05 . 719 160 163 ALA H H 9.208 0.01 . 720 160 163 ALA C C 177.853 0.1 . 721 160 163 ALA CA C 53.381 0.1 . 722 160 163 ALA CB C 17.511 0.1 . 723 160 163 ALA N N 125.489 0.05 . 724 161 164 GLY H H 7.782 0.01 . 725 161 164 GLY C C 170.706 0.1 . 726 161 164 GLY CA C 45.448 0.1 . 727 161 164 GLY N N 108.862 0.05 . 728 162 165 ASP H H 8.567 0.01 . 729 162 165 ASP C C 177.278 0.1 . 730 162 165 ASP CA C 53.084 0.1 . 731 162 165 ASP CB C 40.367 0.1 . 732 162 165 ASP N N 121.313 0.05 . 733 163 166 ARG H H 8.884 0.01 . 734 163 166 ARG C C 175.960 0.1 . 735 163 166 ARG CA C 57.208 0.1 . 736 163 166 ARG CB C 29.200 0.1 . 737 163 166 ARG N N 127.306 0.05 . 738 164 167 ASP H H 8.048 0.01 . 739 164 167 ASP C C 179.142 0.1 . 740 164 167 ASP CA C 56.182 0.1 . 741 164 167 ASP CB C 42.258 0.1 . 742 164 167 ASP N N 116.994 0.05 . 743 165 168 ALA H H 7.373 0.01 . 744 165 168 ALA C C 180.161 0.1 . 745 165 168 ALA CA C 55.798 0.1 . 746 165 168 ALA CB C 17.063 0.1 . 747 165 168 ALA N N 126.189 0.05 . 748 166 169 ALA H H 9.005 0.01 . 749 166 169 ALA C C 177.820 0.1 . 750 166 169 ALA CA C 53.175 0.1 . 751 166 169 ALA CB C 18.841 0.1 . 752 166 169 ALA N N 117.837 0.05 . 753 167 170 TYR H H 7.385 0.01 . 754 167 170 TYR C C 174.118 0.1 . 755 167 170 TYR CA C 57.795 0.1 . 756 167 170 TYR CB C 37.350 0.1 . 757 167 170 TYR N N 113.556 0.05 . 758 168 171 ASP H H 7.084 0.01 . 759 168 171 ASP C C 177.666 0.1 . 760 168 171 ASP CA C 55.540 0.1 . 761 168 171 ASP CB C 40.697 0.1 . 762 168 171 ASP N N 119.733 0.05 . 763 169 172 GLY H H 8.818 0.01 . 764 169 172 GLY C C 173.092 0.1 . 765 169 172 GLY CA C 45.091 0.1 . 766 169 172 GLY N N 113.826 0.05 . 767 170 173 ILE H H 7.948 0.01 . 768 170 173 ILE C C 172.701 0.1 . 769 170 173 ILE CA C 59.046 0.1 . 770 170 173 ILE CB C 40.756 0.1 . 771 170 173 ILE N N 121.698 0.05 . 772 171 174 SER H H 8.631 0.01 . 773 171 174 SER C C 175.801 0.1 . 774 171 174 SER CA C 58.264 0.1 . 775 171 174 SER CB C 62.574 0.1 . 776 171 174 SER N N 121.347 0.05 . 777 172 175 LEU H H 8.612 0.01 . 778 172 175 LEU C C 179.297 0.1 . 779 172 175 LEU CA C 58.075 0.1 . 780 172 175 LEU CB C 40.561 0.1 . 781 172 175 LEU N N 126.306 0.05 . 782 173 176 SER H H 8.304 0.01 . 783 173 176 SER C C 177.050 0.1 . 784 173 176 SER CA C 61.601 0.1 . 785 173 176 SER CB C 61.814 0.1 . 786 173 176 SER N N 111.472 0.05 . 787 174 177 ALA H H 7.685 0.01 . 788 174 177 ALA C C 179.394 0.1 . 789 174 177 ALA CA C 54.879 0.1 . 790 174 177 ALA CB C 16.842 0.1 . 791 174 177 ALA N N 124.213 0.05 . 792 175 178 GLY H H 8.948 0.01 . 793 175 178 GLY C C 176.510 0.1 . 794 175 178 GLY CA C 46.990 0.1 . 795 175 178 GLY N N 105.259 0.05 . 796 176 179 MET H H 9.003 0.01 . 797 176 179 MET C C 177.295 0.1 . 798 176 179 MET CA C 58.812 0.1 . 799 176 179 MET CB C 31.072 0.1 . 800 176 179 MET N N 121.398 0.05 . 801 177 180 LEU H H 7.030 0.01 . 802 177 180 LEU C C 177.886 0.1 . 803 177 180 LEU CA C 57.724 0.1 . 804 177 180 LEU CB C 40.972 0.1 . 805 177 180 LEU N N 119.604 0.05 . 806 178 181 VAL H H 7.632 0.01 . 807 178 181 VAL C C 175.116 0.1 . 808 178 181 VAL CA C 60.963 0.1 . 809 178 181 VAL CB C 31.180 0.1 . 810 178 181 VAL N N 107.582 0.05 . 811 179 182 GLY H H 7.807 0.01 . 812 179 182 GLY CA C 43.468 0.1 . 813 179 182 GLY N N 112.971 0.05 . 814 180 183 PRO C C 180.418 0.1 . 815 180 183 PRO CA C 64.217 0.1 . 816 180 183 PRO CB C 30.446 0.1 . 817 181 184 PHE H H 8.594 0.01 . 818 181 184 PHE C C 180.252 0.1 . 819 181 184 PHE CA C 61.392 0.1 . 820 181 184 PHE CB C 36.495 0.1 . 821 181 184 PHE N N 119.208 0.05 . 822 182 185 LEU H H 7.536 0.01 . 823 182 185 LEU C C 179.657 0.1 . 824 182 185 LEU CA C 57.249 0.1 . 825 182 185 LEU CB C 38.458 0.1 . 826 182 185 LEU N N 120.919 0.05 . 827 183 186 ALA H H 8.480 0.01 . 828 183 186 ALA C C 178.540 0.1 . 829 183 186 ALA CA C 53.439 0.1 . 830 183 186 ALA CB C 17.518 0.1 . 831 183 186 ALA N N 120.392 0.05 . 832 184 187 LYS H H 6.775 0.01 . 833 184 187 LYS C C 177.990 0.1 . 834 184 187 LYS CA C 57.977 0.1 . 835 184 187 LYS CB C 31.805 0.1 . 836 184 187 LYS N N 116.714 0.05 . 837 185 188 GLU H H 7.349 0.01 . 838 185 188 GLU C C 176.402 0.1 . 839 185 188 GLU CA C 57.637 0.1 . 840 185 188 GLU CB C 29.672 0.1 . 841 185 188 GLU N N 120.585 0.05 . 842 186 189 LYS H H 7.946 0.01 . 843 186 189 LYS C C 174.486 0.1 . 844 186 189 LYS CA C 56.408 0.1 . 845 186 189 LYS CB C 30.538 0.1 . 846 186 189 LYS N N 118.355 0.05 . 847 187 190 ASN H H 8.927 0.01 . 848 187 190 ASN C C 174.906 0.1 . 849 187 190 ASN CA C 51.957 0.1 . 850 187 190 ASN CB C 37.309 0.1 . 851 187 190 ASN N N 117.916 0.05 . 852 188 191 ALA H H 8.393 0.01 . 853 188 191 ALA C C 181.017 0.1 . 854 188 191 ALA CA C 55.280 0.1 . 855 188 191 ALA CB C 18.099 0.1 . 856 188 191 ALA N N 118.567 0.05 . 857 189 192 VAL H H 7.809 0.01 . 858 189 192 VAL C C 178.266 0.1 . 859 189 192 VAL CA C 65.606 0.1 . 860 189 192 VAL CB C 30.400 0.1 . 861 189 192 VAL N N 121.072 0.05 . 862 190 193 PHE H H 8.624 0.01 . 863 190 193 PHE C C 177.022 0.1 . 864 190 193 PHE CA C 61.796 0.1 . 865 190 193 PHE CB C 38.751 0.1 . 866 190 193 PHE N N 123.367 0.05 . 867 191 194 LEU H H 8.765 0.01 . 868 191 194 LEU C C 180.483 0.1 . 869 191 194 LEU CA C 57.498 0.1 . 870 191 194 LEU CB C 40.971 0.1 . 871 191 194 LEU N N 118.176 0.05 . 872 192 195 LYS H H 7.986 0.01 . 873 192 195 LYS C C 178.025 0.1 . 874 192 195 LYS CA C 59.504 0.1 . 875 192 195 LYS CB C 31.166 0.1 . 876 192 195 LYS N N 122.686 0.05 . 877 193 196 LYS H H 7.850 0.01 . 878 193 196 LYS C C 180.038 0.1 . 879 193 196 LYS CA C 58.946 0.1 . 880 193 196 LYS CB C 31.297 0.1 . 881 193 196 LYS N N 119.854 0.05 . 882 194 197 TRP H H 7.826 0.01 . 883 194 197 TRP C C 178.371 0.1 . 884 194 197 TRP CA C 59.120 0.1 . 885 194 197 TRP CB C 28.148 0.1 . 886 194 197 TRP N N 118.174 0.05 . 887 195 198 THR H H 8.384 0.01 . 888 195 198 THR C C 175.596 0.1 . 889 195 198 THR CA C 67.260 0.1 . 890 195 198 THR CB C 68.026 0.1 . 891 195 198 THR N N 118.731 0.05 . 892 196 199 GLN H H 8.621 0.01 . 893 196 199 GLN C C 178.909 0.1 . 894 196 199 GLN CA C 58.787 0.1 . 895 196 199 GLN CB C 26.903 0.1 . 896 196 199 GLN N N 122.024 0.05 . 897 197 200 GLU H H 7.815 0.01 . 898 197 200 GLU C C 180.072 0.1 . 899 197 200 GLU CA C 58.407 0.1 . 900 197 200 GLU CB C 28.206 0.1 . 901 197 200 GLU N N 120.370 0.05 . 902 198 201 LEU H H 8.576 0.01 . 903 198 201 LEU C C 177.596 0.1 . 904 198 201 LEU CA C 58.733 0.1 . 905 198 201 LEU CB C 39.730 0.1 . 906 198 201 LEU N N 125.489 0.05 . 907 199 202 GLN H H 8.005 0.01 . 908 199 202 GLN C C 179.499 0.1 . 909 199 202 GLN CA C 58.682 0.1 . 910 199 202 GLN CB C 26.986 0.1 . 911 199 202 GLN N N 119.257 0.05 . 912 200 203 HIS H H 8.678 0.01 . 913 200 203 HIS C C 177.480 0.1 . 914 200 203 HIS CA C 58.558 0.1 . 915 200 203 HIS CB C 28.715 0.1 . 916 200 203 HIS N N 120.006 0.05 . 917 201 204 THR H H 8.545 0.01 . 918 201 204 THR C C 177.400 0.1 . 919 201 204 THR CA C 67.250 0.1 . 920 201 204 THR CB C 67.865 0.1 . 921 201 204 THR N N 117.523 0.05 . 922 202 205 GLN H H 7.683 0.01 . 923 202 205 GLN C C 178.452 0.1 . 924 202 205 GLN CA C 58.798 0.1 . 925 202 205 GLN CB C 27.011 0.1 . 926 202 205 GLN N N 121.983 0.05 . 927 203 206 SER H H 8.003 0.01 . 928 203 206 SER C C 177.479 0.1 . 929 203 206 SER CA C 61.359 0.1 . 930 203 206 SER CB C 62.008 0.1 . 931 203 206 SER N N 116.164 0.05 . 932 204 207 ILE H H 7.903 0.01 . 933 204 207 ILE C C 177.915 0.1 . 934 204 207 ILE CA C 63.728 0.1 . 935 204 207 ILE CB C 36.108 0.1 . 936 204 207 ILE N N 123.281 0.05 . 937 205 208 TYR H H 8.616 0.01 . 938 205 208 TYR C C 178.428 0.1 . 939 205 208 TYR CA C 61.852 0.1 . 940 205 208 TYR CB C 37.989 0.1 . 941 205 208 TYR N N 122.396 0.05 . 942 206 209 GLU H H 8.502 0.01 . 943 206 209 GLU C C 179.132 0.1 . 944 206 209 GLU CA C 59.096 0.1 . 945 206 209 GLU CB C 28.486 0.1 . 946 206 209 GLU N N 120.171 0.05 . 947 207 210 GLN H H 7.707 0.01 . 948 207 210 GLN C C 179.841 0.1 . 949 207 210 GLN CA C 58.682 0.1 . 950 207 210 GLN CB C 28.025 0.1 . 951 207 210 GLN N N 119.475 0.05 . 952 208 211 ILE H H 8.703 0.01 . 953 208 211 ILE C C 179.211 0.1 . 954 208 211 ILE CA C 63.358 0.1 . 955 208 211 ILE CB C 35.811 0.1 . 956 208 211 ILE N N 121.186 0.05 . 957 209 212 SER H H 8.342 0.01 . 958 209 212 SER C C 174.571 0.1 . 959 209 212 SER CA C 61.330 0.1 . 960 209 212 SER CB C 62.117 0.1 . 961 209 212 SER N N 117.347 0.05 . 962 210 213 GLN H H 7.104 0.01 . 963 210 213 GLN C C 175.813 0.1 . 964 210 213 GLN CA C 55.082 0.1 . 965 210 213 GLN CB C 28.335 0.1 . 966 210 213 GLN N N 117.432 0.05 . 967 211 214 ALA H H 7.328 0.01 . 968 211 214 ALA C C 176.159 0.1 . 969 211 214 ALA CA C 50.752 0.1 . 970 211 214 ALA CB C 18.941 0.1 . 971 211 214 ALA N N 124.162 0.05 . 972 212 215 ALA H H 8.018 0.01 . 973 212 215 ALA C C 178.246 0.1 . 974 212 215 ALA CA C 52.455 0.1 . 975 212 215 ALA CB C 18.477 0.1 . 976 212 215 ALA N N 120.976 0.05 . 977 213 216 ASP H H 8.631 0.01 . 978 213 216 ASP C C 176.179 0.1 . 979 213 216 ASP CA C 53.699 0.1 . 980 213 216 ASP CB C 39.013 0.1 . 981 213 216 ASP N N 122.922 0.05 . 982 214 217 THR H H 7.626 0.01 . 983 214 217 THR C C 175.316 0.1 . 984 214 217 THR CA C 59.486 0.1 . 985 214 217 THR CB C 71.132 0.1 . 986 214 217 THR N N 113.582 0.05 . 987 215 218 GLU H H 8.980 0.01 . 988 215 218 GLU C C 179.027 0.1 . 989 215 218 GLU CA C 58.999 0.1 . 990 215 218 GLU CB C 28.279 0.1 . 991 215 218 GLU N N 122.659 0.05 . 992 216 219 GLN H H 8.451 0.01 . 993 216 219 GLN C C 178.655 0.1 . 994 216 219 GLN CA C 58.542 0.1 . 995 216 219 GLN CB C 27.475 0.1 . 996 216 219 GLN N N 118.315 0.05 . 997 217 220 ASN H H 7.874 0.01 . 998 217 220 ASN C C 177.163 0.1 . 999 217 220 ASN CA C 54.825 0.1 . 1000 217 220 ASN CB C 36.927 0.1 . 1001 217 220 ASN N N 120.479 0.05 . 1002 218 221 LYS H H 8.395 0.01 . 1003 218 221 LYS C C 180.027 0.1 . 1004 218 221 LYS CA C 59.786 0.1 . 1005 218 221 LYS CB C 31.287 0.1 . 1006 218 221 LYS N N 121.629 0.05 . 1007 219 222 GLN H H 7.960 0.01 . 1008 219 222 GLN C C 178.469 0.1 . 1009 219 222 GLN CA C 58.131 0.1 . 1010 219 222 GLN CB C 26.782 0.1 . 1011 219 222 GLN N N 119.646 0.05 . 1012 220 223 LYS H H 7.833 0.01 . 1013 220 223 LYS C C 179.065 0.1 . 1014 220 223 LYS CA C 58.290 0.1 . 1015 220 223 LYS CB C 30.977 0.1 . 1016 220 223 LYS N N 121.603 0.05 . 1017 221 224 LEU H H 8.386 0.01 . 1018 221 224 LEU C C 178.974 0.1 . 1019 221 224 LEU CA C 58.039 0.1 . 1020 221 224 LEU CB C 40.251 0.1 . 1021 221 224 LEU N N 118.877 0.05 . 1022 222 225 LYS H H 7.545 0.01 . 1023 222 225 LYS C C 178.508 0.1 . 1024 222 225 LYS CA C 58.987 0.1 . 1025 222 225 LYS CB C 31.012 0.1 . 1026 222 225 LYS N N 120.278 0.05 . 1027 223 226 GLU H H 7.862 0.01 . 1028 223 226 GLU C C 180.924 0.1 . 1029 223 226 GLU CA C 58.826 0.1 . 1030 223 226 GLU CB C 28.780 0.1 . 1031 223 226 GLU N N 119.504 0.05 . 1032 224 227 LEU H H 8.565 0.01 . 1033 224 227 LEU C C 178.607 0.1 . 1034 224 227 LEU CA C 57.384 0.1 . 1035 224 227 LEU CB C 42.148 0.1 . 1036 224 227 LEU N N 121.367 0.05 . 1037 225 228 ALA H H 8.912 0.01 . 1038 225 228 ALA C C 181.101 0.1 . 1039 225 228 ALA CA C 55.080 0.1 . 1040 225 228 ALA CB C 17.138 0.1 . 1041 225 228 ALA N N 123.853 0.05 . 1042 226 229 ASP H H 8.486 0.01 . 1043 226 229 ASP C C 178.922 0.1 . 1044 226 229 ASP CA C 56.814 0.1 . 1045 226 229 ASP CB C 39.135 0.1 . 1046 226 229 ASP N N 120.018 0.05 . 1047 227 230 ARG H H 7.817 0.01 . 1048 227 230 ARG C C 178.410 0.1 . 1049 227 230 ARG CA C 58.706 0.1 . 1050 227 230 ARG CB C 28.648 0.1 . 1051 227 230 ARG N N 122.348 0.05 . 1052 228 231 MET H H 8.492 0.01 . 1053 228 231 MET C C 177.728 0.1 . 1054 228 231 MET CA C 60.099 0.1 . 1055 228 231 MET CB C 32.509 0.1 . 1056 228 231 MET N N 117.458 0.05 . 1057 229 232 GLU H H 7.850 0.01 . 1058 229 232 GLU C C 179.473 0.1 . 1059 229 232 GLU CA C 58.929 0.1 . 1060 229 232 GLU CB C 28.412 0.1 . 1061 229 232 GLU N N 118.201 0.05 . 1062 230 233 LEU H H 7.584 0.01 . 1063 230 233 LEU C C 179.026 0.1 . 1064 230 233 LEU CA C 57.570 0.1 . 1065 230 233 LEU CB C 41.276 0.1 . 1066 230 233 LEU N N 120.310 0.05 . 1067 231 234 LEU H H 7.974 0.01 . 1068 231 234 LEU C C 179.263 0.1 . 1069 231 234 LEU CA C 56.911 0.1 . 1070 231 234 LEU CB C 41.233 0.1 . 1071 231 234 LEU N N 116.816 0.05 . 1072 232 235 LYS H H 8.436 0.01 . 1073 232 235 LYS C C 178.502 0.1 . 1074 232 235 LYS CA C 59.495 0.1 . 1075 232 235 LYS CB C 31.355 0.1 . 1076 232 235 LYS N N 118.963 0.05 . 1077 233 236 GLU H H 7.392 0.01 . 1078 233 236 GLU C C 178.554 0.1 . 1079 233 236 GLU CA C 58.590 0.1 . 1080 233 236 GLU CB C 28.425 0.1 . 1081 233 236 GLU N N 117.936 0.05 . 1082 234 237 VAL H H 7.317 0.01 . 1083 234 237 VAL C C 176.944 0.1 . 1084 234 237 VAL CA C 63.445 0.1 . 1085 234 237 VAL CB C 31.693 0.1 . 1086 234 237 VAL N N 113.945 0.05 . 1087 235 238 ILE H H 7.996 0.01 . 1088 235 238 ILE C C 176.287 0.1 . 1089 235 238 ILE CA C 61.473 0.1 . 1090 235 238 ILE CB C 37.567 0.1 . 1091 235 238 ILE N N 116.518 0.05 . 1092 236 239 ASP H H 7.931 0.01 . 1093 236 239 ASP C C 175.929 0.1 . 1094 236 239 ASP CA C 54.531 0.1 . 1095 236 239 ASP CB C 40.500 0.1 . 1096 236 239 ASP N N 121.537 0.05 . 1097 237 240 HIS H H 8.087 0.01 . 1098 237 240 HIS C C 174.538 0.1 . 1099 237 240 HIS CA C 55.576 0.1 . 1100 237 240 HIS CB C 29.279 0.1 . 1101 237 240 HIS N N 119.419 0.05 . 1102 238 241 GLY H H 8.244 0.01 . 1103 238 241 GLY CA C 45.771 0.1 . 1104 238 241 GLY N N 117.103 0.05 . stop_ save_