data_27619 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignments of the bacterial tRNA-(N1G37) methyltransferase (TrmD) ; _BMRB_accession_number 27619 _BMRB_flat_file_name bmr27619.str _Entry_type original _Submission_date 2018-09-19 _Accession_date 2018-09-19 _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 Li Yan . . 2 Ng 'Hui Qi' . . 3 Kang CongBao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 223 "13C chemical shifts" 584 "15N chemical shifts" 223 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-10-11 update BMRB 'update entry citation' 2019-07-10 original author 'original release' stop_ _Original_release_date 2018-09-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone resonance assignment for the full length tRNA-(N ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31175551 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Yan . . 2 Zhong Wenhe . . 3 Koay 'Ann Zhufang' Z. . 4 Ng 'Hui Qi' Q. . 5 Nah Qianhui . . 6 Wong 'Yee Hwa' H. . 7 Hill Jeffrey . . 8 Lescar Julien . . 9 Dedon Peter C. . 10 Kang CongBao . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 13 _Journal_issue 2 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 327 _Page_last 332 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'bacterial tRNA-(N1G37) methyltransferase (TrmD)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'bacterial tRNA-(N1G37) methyltransferase (TrmD)' $bacterial_tRNA-(N1G37)_methyltransferase_(TrmD) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_bacterial_tRNA-(N1G37)_methyltransferase_(TrmD) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common bacterial_tRNA-(N1G37)_methyltransferase_(TrmD) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 258 _Mol_residue_sequence ; MDKRLWVGVVSIFPEMFRAI SDYGITSRAVKQGLLTLTCW NPRVYTEDRHQTVDDRPFGG GPGMVMKIKPLEGALADARQ AAGGRKAKVIYLSPQGRQLT QAGVRELAEEEALILIAGRY EGIDERFIEEHVDEEWSIGD YVLSGGELPAMVLVDAVTRL LPGALGHADSAEEDSFTDGL LDCPHYTRPEVYADKRVPEV LLSGNHEHIRRWRLQQALGR TWERRADLLDSRSLSGEEQK LLAEYIRQRDDSHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 LYS 4 ARG 5 LEU 6 TRP 7 VAL 8 GLY 9 VAL 10 VAL 11 SER 12 ILE 13 PHE 14 PRO 15 GLU 16 MET 17 PHE 18 ARG 19 ALA 20 ILE 21 SER 22 ASP 23 TYR 24 GLY 25 ILE 26 THR 27 SER 28 ARG 29 ALA 30 VAL 31 LYS 32 GLN 33 GLY 34 LEU 35 LEU 36 THR 37 LEU 38 THR 39 CYS 40 TRP 41 ASN 42 PRO 43 ARG 44 VAL 45 TYR 46 THR 47 GLU 48 ASP 49 ARG 50 HIS 51 GLN 52 THR 53 VAL 54 ASP 55 ASP 56 ARG 57 PRO 58 PHE 59 GLY 60 GLY 61 GLY 62 PRO 63 GLY 64 MET 65 VAL 66 MET 67 LYS 68 ILE 69 LYS 70 PRO 71 LEU 72 GLU 73 GLY 74 ALA 75 LEU 76 ALA 77 ASP 78 ALA 79 ARG 80 GLN 81 ALA 82 ALA 83 GLY 84 GLY 85 ARG 86 LYS 87 ALA 88 LYS 89 VAL 90 ILE 91 TYR 92 LEU 93 SER 94 PRO 95 GLN 96 GLY 97 ARG 98 GLN 99 LEU 100 THR 101 GLN 102 ALA 103 GLY 104 VAL 105 ARG 106 GLU 107 LEU 108 ALA 109 GLU 110 GLU 111 GLU 112 ALA 113 LEU 114 ILE 115 LEU 116 ILE 117 ALA 118 GLY 119 ARG 120 TYR 121 GLU 122 GLY 123 ILE 124 ASP 125 GLU 126 ARG 127 PHE 128 ILE 129 GLU 130 GLU 131 HIS 132 VAL 133 ASP 134 GLU 135 GLU 136 TRP 137 SER 138 ILE 139 GLY 140 ASP 141 TYR 142 VAL 143 LEU 144 SER 145 GLY 146 GLY 147 GLU 148 LEU 149 PRO 150 ALA 151 MET 152 VAL 153 LEU 154 VAL 155 ASP 156 ALA 157 VAL 158 THR 159 ARG 160 LEU 161 LEU 162 PRO 163 GLY 164 ALA 165 LEU 166 GLY 167 HIS 168 ALA 169 ASP 170 SER 171 ALA 172 GLU 173 GLU 174 ASP 175 SER 176 PHE 177 THR 178 ASP 179 GLY 180 LEU 181 LEU 182 ASP 183 CYS 184 PRO 185 HIS 186 TYR 187 THR 188 ARG 189 PRO 190 GLU 191 VAL 192 TYR 193 ALA 194 ASP 195 LYS 196 ARG 197 VAL 198 PRO 199 GLU 200 VAL 201 LEU 202 LEU 203 SER 204 GLY 205 ASN 206 HIS 207 GLU 208 HIS 209 ILE 210 ARG 211 ARG 212 TRP 213 ARG 214 LEU 215 GLN 216 GLN 217 ALA 218 LEU 219 GLY 220 ARG 221 THR 222 TRP 223 GLU 224 ARG 225 ARG 226 ALA 227 ASP 228 LEU 229 LEU 230 ASP 231 SER 232 ARG 233 SER 234 LEU 235 SER 236 GLY 237 GLU 238 GLU 239 GLN 240 LYS 241 LEU 242 LEU 243 ALA 244 GLU 245 TYR 246 ILE 247 ARG 248 GLN 249 ARG 250 ASP 251 ASP 252 SER 253 HIS 254 HIS 255 HIS 256 HIS 257 HIS 258 HIS 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 $bacterial_tRNA-(N1G37)_methyltransferase_(TrmD) Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $bacterial_tRNA-(N1G37)_methyltransferase_(TrmD) 'recombinant technology' . Escherichia coli . pET29b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, pH 7.2, 150 mM KCl, 1 mM DTT.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $bacterial_tRNA-(N1G37)_methyltransferase_(TrmD) 0.5 mM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 20 mM 'natural abundance' 'potassium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Johnson, One Moon Scientific' . . 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 170 . mM pH 7.2 . pH pressure 1 . atm temperature 310 . 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal indirect . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 internal 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 $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCA' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'bacterial tRNA-(N1G37) methyltransferase (TrmD)' _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 3 3 LYS H H 8.190 0.020 1 2 3 3 LYS C C 174.632 0.3 1 3 3 3 LYS CA C 56.075 0.3 1 4 3 3 LYS CB C 32.478 0.3 1 5 3 3 LYS N N 123.313 0.3 1 6 4 4 ARG H H 8.186 0.020 1 7 4 4 ARG C C 175.155 0.3 1 8 4 4 ARG CA C 54.291 0.3 1 9 4 4 ARG CB C 32.585 0.3 1 10 4 4 ARG N N 122.963 0.3 1 11 5 5 LEU H H 8.662 0.020 1 12 5 5 LEU C C 173.939 0.3 1 13 5 5 LEU CA C 54.291 0.3 1 14 5 5 LEU CB C 45.123 0.3 1 15 5 5 LEU N N 123.016 0.3 1 16 6 6 TRP H H 8.136 0.020 1 17 6 6 TRP C C 174.673 0.3 1 18 6 6 TRP CA C 57.371 0.3 1 19 6 6 TRP CB C 32.478 0.3 1 20 6 6 TRP N N 131.089 0.3 1 21 7 7 VAL H H 8.796 0.020 1 22 7 7 VAL C C 173.956 0.3 1 23 7 7 VAL CA C 60.250 0.3 1 24 7 7 VAL N N 127.241 0.3 1 25 8 8 GLY H H 9.061 0.020 1 26 8 8 GLY C C 172.082 0.3 1 27 8 8 GLY CA C 43.570 0.3 1 28 8 8 GLY N N 117.783 0.3 1 29 9 9 VAL H H 9.178 0.020 1 30 9 9 VAL C C 174.595 0.3 1 31 9 9 VAL CA C 60.066 0.3 1 32 9 9 VAL CB C 33.094 0.3 1 33 9 9 VAL N N 124.243 0.3 1 34 10 10 VAL H H 9.223 0.020 1 35 10 10 VAL CA C 60.566 0.3 1 36 10 10 VAL N N 129.182 0.3 1 37 11 11 SER H H 8.186 0.020 1 38 11 11 SER CA C 57.342 0.3 1 39 11 11 SER CB C 61.772 0.3 1 40 11 11 SER N N 120.579 0.3 1 41 12 12 ILE H H 7.996 0.020 1 42 12 12 ILE CA C 59.719 0.3 1 43 12 12 ILE CB C 37.807 0.3 1 44 12 12 ILE N N 120.951 0.3 1 45 13 13 PHE H H 8.120 0.020 1 46 13 13 PHE CA C 60.955 0.3 1 47 13 13 PHE N N 120.768 0.3 1 48 15 15 GLU H H 9.252 0.020 1 49 15 15 GLU CA C 58.894 0.3 1 50 15 15 GLU CB C 27.837 0.3 1 51 15 15 GLU N N 117.831 0.3 1 52 16 16 MET H H 7.829 0.020 1 53 16 16 MET C C 177.371 0.3 1 54 16 16 MET CA C 59.617 0.3 1 55 16 16 MET CB C 32.264 0.3 1 56 16 16 MET N N 118.487 0.3 1 57 17 17 PHE H H 7.535 0.020 1 58 17 17 PHE C C 176.404 0.3 1 59 17 17 PHE CA C 60.676 0.3 1 60 17 17 PHE CB C 36.811 0.3 1 61 17 17 PHE N N 112.767 0.3 1 62 18 18 ARG H H 7.481 0.020 1 63 18 18 ARG C C 177.654 0.3 1 64 18 18 ARG CA C 58.171 0.3 1 65 18 18 ARG CB C 28.986 0.3 1 66 18 18 ARG N N 123.233 0.3 1 67 19 19 ALA H H 7.514 0.020 1 68 19 19 ALA C C 177.277 0.3 1 69 19 19 ALA CA C 55.040 0.3 1 70 19 19 ALA CB C 17.583 0.3 1 71 19 19 ALA N N 117.841 0.3 1 72 20 20 ILE H H 6.908 0.020 1 73 20 20 ILE C C 177.560 0.3 1 74 20 20 ILE CA C 59.755 0.3 1 75 20 20 ILE CB C 38.517 0.3 1 76 20 20 ILE N N 102.664 0.3 1 77 21 21 SER H H 8.608 0.020 1 78 21 21 SER C C 176.190 0.3 1 79 21 21 SER CA C 61.136 0.3 1 80 21 21 SER CB C 63.018 0.3 1 81 21 21 SER N N 117.934 0.3 1 82 22 22 ASP H H 7.962 0.020 1 83 22 22 ASP C C 174.797 0.3 1 84 22 22 ASP CA C 54.496 0.3 1 85 22 22 ASP CB C 40.675 0.3 1 86 22 22 ASP N N 117.971 0.3 1 87 23 23 TYR H H 6.467 0.020 1 88 23 23 TYR C C 175.553 0.3 1 89 23 23 TYR CA C 56.341 0.3 1 90 23 23 TYR CB C 41.598 0.3 1 91 23 23 TYR N N 116.292 0.3 1 92 24 24 GLY H H 7.861 0.020 1 93 24 24 GLY C C 176.308 0.3 1 94 24 24 GLY CA C 44.629 0.3 1 95 24 24 GLY N N 104.588 0.3 1 96 25 25 ILE H H 8.669 0.020 1 97 25 25 ILE C C 178.812 0.3 1 98 25 25 ILE CA C 63.349 0.3 1 99 25 25 ILE CB C 36.461 0.3 1 100 25 25 ILE N N 122.111 0.3 1 101 26 26 THR H H 8.332 0.020 1 102 26 26 THR C C 176.309 0.3 1 103 26 26 THR CA C 64.818 0.3 1 104 26 26 THR CB C 66.032 0.3 1 105 26 26 THR N N 114.006 0.3 1 106 27 27 SER H H 6.668 0.020 1 107 27 27 SER C C 177.371 0.3 1 108 27 27 SER CA C 60.728 0.3 1 109 27 27 SER CB C 62.937 0.3 1 110 27 27 SER N N 116.910 0.3 1 111 28 28 ARG H H 7.408 0.020 1 112 28 28 ARG C C 178.261 0.3 1 113 28 28 ARG CA C 58.872 0.3 1 114 28 28 ARG CB C 28.728 0.3 1 115 28 28 ARG N N 122.780 0.3 1 116 29 29 ALA H H 8.167 0.020 1 117 29 29 ALA C C 180.677 0.3 1 118 29 29 ALA CA C 54.974 0.3 1 119 29 29 ALA CB C 17.877 0.3 1 120 29 29 ALA N N 122.273 0.3 1 121 30 30 VAL H H 8.231 0.020 1 122 30 30 VAL C C 181.149 0.3 1 123 30 30 VAL CA C 64.671 0.3 1 124 30 30 VAL CB C 30.890 0.3 1 125 30 30 VAL N N 121.850 0.3 1 126 31 31 LYS H H 8.240 0.020 1 127 31 31 LYS C C 178.930 0.3 1 128 31 31 LYS CA C 59.243 0.3 1 129 31 31 LYS CB C 31.399 0.3 1 130 31 31 LYS N N 122.882 0.3 1 131 32 32 GLN H H 8.070 0.020 1 132 32 32 GLN C C 176.356 0.3 1 133 32 32 GLN CA C 55.735 0.3 1 134 32 32 GLN CB C 29.555 0.3 1 135 32 32 GLN N N 114.733 0.3 1 136 33 33 GLY H H 7.863 0.020 1 137 33 33 GLY C C 174.467 0.3 1 138 33 33 GLY CA C 45.155 0.3 1 139 33 33 GLY N N 107.643 0.3 1 140 34 34 LEU H H 8.141 0.020 1 141 34 34 LEU C C 174.608 0.3 1 142 34 34 LEU CA C 56.144 0.3 1 143 34 34 LEU CB C 42.387 0.3 1 144 34 34 LEU N N 120.765 0.3 1 145 35 35 LEU H H 6.884 0.020 1 146 35 35 LEU C C 175.317 0.3 1 147 35 35 LEU CA C 52.234 0.3 1 148 35 35 LEU CB C 45.798 0.3 1 149 35 35 LEU N N 118.405 0.3 1 150 36 36 THR H H 8.279 0.020 1 151 36 36 THR C C 171.161 0.3 1 152 36 36 THR CA C 62.006 0.3 1 153 36 36 THR CB C 70.130 0.3 1 154 36 36 THR N N 123.385 0.3 1 155 37 37 LEU H H 8.676 0.020 1 156 37 37 LEU C C 175.011 0.3 1 157 37 37 LEU CA C 52.988 0.3 1 158 37 37 LEU CB C 43.925 0.3 1 159 37 37 LEU N N 129.341 0.3 1 160 39 39 CYS H H 8.109 0.020 1 161 39 39 CYS CA C 56.032 0.3 1 162 39 39 CYS CB C 30.496 0.3 1 163 39 39 CYS N N 120.353 0.3 1 164 40 40 TRP H H 8.811 0.020 1 165 40 40 TRP CA C 56.731 0.3 1 166 40 40 TRP CB C 28.318 0.3 1 167 40 40 TRP N N 125.685 0.3 1 168 41 41 ASN H H 9.009 0.020 1 169 41 41 ASN C C 175.507 0.3 1 170 41 41 ASN CA C 49.171 0.3 1 171 41 41 ASN CB C 40.077 0.3 1 172 41 41 ASN N N 123.276 0.3 1 173 42 42 PRO C C 177.159 0.3 1 174 42 42 PRO CA C 64.384 0.3 1 175 42 42 PRO CB C 31.646 0.3 1 176 43 43 ARG H H 8.232 0.020 1 177 43 43 ARG C C 178.623 0.3 1 178 43 43 ARG CA C 58.309 0.3 1 179 43 43 ARG CB C 29.194 0.3 1 180 43 43 ARG N N 114.646 0.3 1 181 44 44 VAL H H 7.726 0.020 1 182 44 44 VAL C C 176.379 0.3 1 183 44 44 VAL CA C 62.609 0.3 1 184 44 44 VAL CB C 28.211 0.3 1 185 44 44 VAL N N 114.241 0.3 1 186 45 45 TYR H H 7.651 0.020 1 187 45 45 TYR C C 175.742 0.3 1 188 45 45 TYR CA C 58.170 0.3 1 189 45 45 TYR CB C 37.249 0.3 1 190 45 45 TYR N N 121.239 0.3 1 191 46 46 THR H H 7.526 0.020 1 192 46 46 THR C C 174.524 0.3 1 193 46 46 THR CA C 61.387 0.3 1 194 46 46 THR CB C 69.810 0.3 1 195 46 46 THR N N 112.945 0.3 1 196 47 47 GLU H H 8.468 0.020 1 197 47 47 GLU CA C 56.479 0.3 1 198 47 47 GLU CB C 29.864 0.3 1 199 47 47 GLU N N 123.046 0.3 1 200 48 48 ASP H H 8.173 0.020 1 201 48 48 ASP C C 178.199 0.3 1 202 48 48 ASP CA C 58.414 0.3 1 203 48 48 ASP CB C 40.984 0.3 1 204 48 48 ASP N N 121.203 0.3 1 205 49 49 ARG H H 8.475 0.020 1 206 49 49 ARG C C 177.467 0.3 1 207 49 49 ARG CA C 58.208 0.3 1 208 49 49 ARG CB C 27.970 0.3 1 209 49 49 ARG N N 119.362 0.3 1 210 50 50 HIS H H 7.851 0.020 1 211 50 50 HIS CA C 58.173 0.3 1 212 50 50 HIS CB C 31.605 0.3 1 213 50 50 HIS N N 120.957 0.3 1 214 51 51 GLN H H 8.155 0.020 1 215 51 51 GLN CA C 55.799 0.3 1 216 51 51 GLN CB C 31.902 0.3 1 217 51 51 GLN N N 121.514 0.3 1 218 52 52 THR H H 8.308 0.020 1 219 52 52 THR CA C 61.457 0.3 1 220 52 52 THR CB C 69.660 0.3 1 221 52 52 THR N N 115.973 0.3 1 222 53 53 VAL H H 8.211 0.020 1 223 53 53 VAL C C 175.813 0.3 1 224 53 53 VAL CA C 62.075 0.3 1 225 53 53 VAL CB C 32.008 0.3 1 226 53 53 VAL N N 121.565 0.3 1 227 54 54 ASP H H 8.290 0.020 1 228 54 54 ASP C C 175.742 0.3 1 229 54 54 ASP CA C 54.094 0.3 1 230 54 54 ASP CB C 40.943 0.3 1 231 54 54 ASP N N 123.539 0.3 1 232 55 55 ASP H H 8.230 0.020 1 233 55 55 ASP C C 176.025 0.3 1 234 55 55 ASP CA C 53.953 0.3 1 235 55 55 ASP CB C 40.569 0.3 1 236 55 55 ASP N N 120.900 0.3 1 237 56 56 ARG H H 8.083 0.020 1 238 56 56 ARG C C 174.609 0.3 1 239 56 56 ARG CA C 53.967 0.3 1 240 56 56 ARG CB C 29.156 0.3 1 241 56 56 ARG N N 121.757 0.3 1 242 59 59 GLY H H 8.116 0.020 1 243 59 59 GLY CA C 45.562 0.3 1 244 59 59 GLY N N 108.347 0.3 1 245 60 60 GLY H H 7.678 0.020 1 246 60 60 GLY C C 174.279 0.3 1 247 60 60 GLY CA C 44.473 0.3 1 248 60 60 GLY N N 106.793 0.3 1 249 61 61 GLY H H 8.375 0.020 1 250 61 61 GLY C C 171.891 0.3 1 251 61 61 GLY CA C 43.936 0.3 1 252 61 61 GLY N N 109.122 0.3 1 253 63 63 GLY H H 8.550 0.020 1 254 63 63 GLY CA C 45.191 0.3 1 255 63 63 GLY N N 109.457 0.3 1 256 64 64 MET H H 8.110 0.020 1 257 64 64 MET C C 176.072 0.3 1 258 64 64 MET CA C 55.254 0.3 1 259 64 64 MET CB C 32.299 0.3 1 260 64 64 MET N N 120.395 0.3 1 261 65 65 VAL H H 8.086 0.020 1 262 65 65 VAL CA C 62.085 0.3 1 263 65 65 VAL CB C 31.983 0.3 1 264 65 65 VAL N N 121.312 0.3 1 265 66 66 MET H H 8.388 0.020 1 266 66 66 MET C C 175.842 0.3 1 267 66 66 MET CA C 54.995 0.3 1 268 66 66 MET CB C 32.264 0.3 1 269 66 66 MET N N 124.117 0.3 1 270 68 68 ILE H H 8.120 0.020 1 271 68 68 ILE CA C 62.981 0.3 1 272 68 68 ILE CB C 37.500 0.3 1 273 68 68 ILE N N 120.476 0.3 1 274 69 69 LYS H H 7.938 0.020 1 275 69 69 LYS CA C 57.486 0.3 1 276 69 69 LYS N N 121.648 0.3 1 277 72 72 GLU H H 8.189 0.020 1 278 72 72 GLU C C 179.874 0.3 1 279 72 72 GLU CA C 59.339 0.3 1 280 72 72 GLU CB C 28.803 0.3 1 281 72 72 GLU N N 115.968 0.3 1 282 73 73 GLY H H 8.248 0.020 1 283 73 73 GLY C C 175.152 0.3 1 284 73 73 GLY CA C 46.572 0.3 1 285 73 73 GLY N N 109.026 0.3 1 286 74 74 ALA H H 7.433 0.020 1 287 74 74 ALA C C 178.623 0.3 1 288 74 74 ALA CA C 54.069 0.3 1 289 74 74 ALA CB C 17.751 0.3 1 290 74 74 ALA N N 125.228 0.3 1 291 75 75 LEU H H 8.031 0.020 1 292 75 75 LEU C C 177.843 0.3 1 293 75 75 LEU CA C 57.185 0.3 1 294 75 75 LEU CB C 41.084 0.3 1 295 75 75 LEU N N 117.050 0.3 1 296 76 76 ALA H H 7.970 0.020 1 297 76 76 ALA C C 181.149 0.3 1 298 76 76 ALA CA C 54.659 0.3 1 299 76 76 ALA CB C 16.833 0.3 1 300 76 76 ALA N N 120.803 0.3 1 301 77 77 ASP H H 7.554 0.020 1 302 77 77 ASP C C 178.528 0.3 1 303 77 77 ASP CA C 56.395 0.3 1 304 77 77 ASP CB C 39.077 0.3 1 305 77 77 ASP N N 120.550 0.3 1 306 78 78 ALA H H 7.681 0.020 1 307 78 78 ALA C C 178.717 0.3 1 308 78 78 ALA CA C 54.406 0.3 1 309 78 78 ALA CB C 16.190 0.3 1 310 78 78 ALA N N 125.199 0.3 1 311 79 79 ARG H H 8.270 0.020 1 312 79 79 ARG C C 180.110 0.3 1 313 79 79 ARG CA C 59.313 0.3 1 314 79 79 ARG CB C 29.263 0.3 1 315 79 79 ARG N N 115.286 0.3 1 316 80 80 GLN H H 7.784 0.020 1 317 80 80 GLN C C 179.024 0.3 1 318 80 80 GLN CA C 58.191 0.3 1 319 80 80 GLN CB C 27.549 0.3 1 320 80 80 GLN N N 119.331 0.3 1 321 81 81 ALA H H 7.850 0.020 1 322 81 81 ALA C C 178.316 0.3 1 323 81 81 ALA CA C 53.917 0.3 1 324 81 81 ALA CB C 19.030 0.3 1 325 81 81 ALA N N 123.807 0.3 1 326 82 82 ALA H H 7.293 0.020 1 327 82 82 ALA C C 179.733 0.3 1 328 82 82 ALA CA C 52.416 0.3 1 329 82 82 ALA CB C 15.614 0.3 1 330 82 82 ALA N N 120.923 0.3 1 331 83 83 GLY H H 7.360 0.020 1 332 83 83 GLY C C 175.247 0.3 1 333 83 83 GLY CA C 46.540 0.3 1 334 83 83 GLY N N 106.787 0.3 1 335 85 85 ARG H H 7.094 0.020 1 336 85 85 ARG C C 175.554 0.3 1 337 85 85 ARG CA C 55.281 0.3 1 338 85 85 ARG CB C 30.912 0.3 1 339 85 85 ARG N N 120.026 0.3 1 340 86 86 LYS H H 8.798 0.020 1 341 86 86 LYS C C 175.388 0.3 1 342 86 86 LYS CA C 55.755 0.3 1 343 86 86 LYS CB C 30.656 0.3 1 344 86 86 LYS N N 124.771 0.3 1 345 87 87 ALA H H 8.181 0.020 1 346 87 87 ALA C C 176.875 0.3 1 347 87 87 ALA CA C 50.174 0.3 1 348 87 87 ALA CB C 19.512 0.3 1 349 87 87 ALA N N 129.387 0.3 1 350 88 88 LYS H H 8.011 0.020 1 351 88 88 LYS C C 174.915 0.3 1 352 88 88 LYS CA C 55.014 0.3 1 353 88 88 LYS CB C 33.815 0.3 1 354 88 88 LYS N N 124.145 0.3 1 355 89 89 VAL H H 10.152 0.020 1 356 89 89 VAL C C 176.072 0.3 1 357 89 89 VAL CA C 61.864 0.3 1 358 89 89 VAL CB C 31.018 0.3 1 359 89 89 VAL N N 128.398 0.3 1 360 90 90 ILE H H 9.806 0.020 1 361 90 90 ILE C C 174.679 0.3 1 362 90 90 ILE CA C 58.117 0.3 1 363 90 90 ILE CB C 40.329 0.3 1 364 90 90 ILE N N 130.771 0.3 1 365 91 91 TYR H H 8.790 0.020 1 366 91 91 TYR CA C 54.583 0.3 1 367 91 91 TYR CB C 41.611 0.3 1 368 91 91 TYR N N 128.291 0.3 1 369 92 92 LEU H H 7.560 0.020 1 370 92 92 LEU CA C 52.632 0.3 1 371 92 92 LEU CB C 38.820 0.3 1 372 92 92 LEU N N 132.171 0.3 1 373 93 93 SER H H 8.248 0.020 1 374 93 93 SER CA C 54.644 0.3 1 375 93 93 SER CB C 65.378 0.3 1 376 93 93 SER N N 121.023 0.3 1 377 94 94 PRO C C 177.442 0.3 1 378 94 94 PRO CA C 63.544 0.3 1 379 94 94 PRO CB C 31.023 0.3 1 380 95 95 GLN H H 7.749 0.020 1 381 95 95 GLN C C 176.025 0.3 1 382 95 95 GLN CA C 55.108 0.3 1 383 95 95 GLN CB C 28.085 0.3 1 384 95 95 GLN N N 115.623 0.3 1 385 96 96 GLY H H 7.552 0.020 1 386 96 96 GLY C C 171.869 0.3 1 387 96 96 GLY CA C 44.120 0.3 1 388 96 96 GLY N N 106.285 0.3 1 389 97 97 ARG H H 7.621 0.020 1 390 97 97 ARG C C 176.096 0.3 1 391 97 97 ARG CA C 56.038 0.3 1 392 97 97 ARG CB C 29.472 0.3 1 393 97 97 ARG N N 122.126 0.3 1 394 98 98 GLN H H 8.573 0.020 1 395 98 98 GLN C C 177.182 0.3 1 396 98 98 GLN CA C 56.136 0.3 1 397 98 98 GLN CB C 28.085 0.3 1 398 98 98 GLN N N 126.270 0.3 1 399 99 99 LEU H H 9.259 0.020 1 400 99 99 LEU C C 174.467 0.3 1 401 99 99 LEU CA C 56.789 0.3 1 402 99 99 LEU CB C 41.908 0.3 1 403 99 99 LEU N N 130.411 0.3 1 404 100 100 THR H H 7.359 0.020 1 405 100 100 THR CA C 59.127 0.3 1 406 100 100 THR CB C 73.515 0.3 1 407 100 100 THR N N 115.957 0.3 1 408 101 101 GLN H H 9.454 0.020 1 409 101 101 GLN C C 178.039 0.3 1 410 101 101 GLN CA C 58.700 0.3 1 411 101 101 GLN CB C 26.601 0.3 1 412 101 101 GLN N N 124.977 0.3 1 413 102 102 ALA H H 8.362 0.020 1 414 102 102 ALA C C 180.866 0.3 1 415 102 102 ALA CA C 54.989 0.3 1 416 102 102 ALA N N 120.500 0.3 1 417 103 103 GLY H H 7.720 0.020 1 418 103 103 GLY C C 175.053 0.3 1 419 103 103 GLY CA C 46.796 0.3 1 420 103 103 GLY N N 108.448 0.3 1 421 104 104 VAL H H 8.161 0.020 1 422 104 104 VAL C C 177.513 0.3 1 423 104 104 VAL CA C 66.444 0.3 1 424 104 104 VAL CB C 29.952 0.3 1 425 104 104 VAL N N 123.027 0.3 1 426 105 105 ARG H H 7.997 0.020 1 427 105 105 ARG C C 179.048 0.3 1 428 105 105 ARG CA C 59.463 0.3 1 429 105 105 ARG CB C 29.421 0.3 1 430 105 105 ARG N N 116.797 0.3 1 431 106 106 GLU H H 7.493 0.020 1 432 106 106 GLU C C 180.724 0.3 1 433 106 106 GLU CA C 59.083 0.3 1 434 106 106 GLU CB C 29.156 0.3 1 435 106 106 GLU N N 118.850 0.3 1 436 107 107 LEU H H 8.304 0.020 1 437 107 107 LEU C C 178.316 0.3 1 438 107 107 LEU CA C 57.513 0.3 1 439 107 107 LEU CB C 41.197 0.3 1 440 107 107 LEU N N 123.121 0.3 1 441 108 108 ALA H H 8.019 0.020 1 442 108 108 ALA C C 177.631 0.3 1 443 108 108 ALA CA C 52.860 0.3 1 444 108 108 ALA CB C 17.865 0.3 1 445 108 108 ALA N N 117.789 0.3 1 446 109 109 GLU H H 7.302 0.020 1 447 109 109 GLU C C 178.174 0.3 1 448 109 109 GLU CA C 56.236 0.3 1 449 109 109 GLU CB C 29.341 0.3 1 450 109 109 GLU N N 114.878 0.3 1 451 110 110 GLU H H 7.572 0.020 1 452 110 110 GLU C C 176.002 0.3 1 453 110 110 GLU CA C 55.305 0.3 1 454 110 110 GLU CB C 28.586 0.3 1 455 110 110 GLU N N 118.984 0.3 1 456 111 111 GLU H H 8.992 0.020 1 457 111 111 GLU C C 177.725 0.3 1 458 111 111 GLU CA C 57.199 0.3 1 459 111 111 GLU CB C 30.352 0.3 1 460 111 111 GLU N N 118.497 0.3 1 461 112 112 ALA H H 7.959 0.020 1 462 112 112 ALA C C 175.057 0.3 1 463 112 112 ALA CA C 50.421 0.3 1 464 112 112 ALA CB C 21.441 0.3 1 465 112 112 ALA N N 120.742 0.3 1 466 113 113 LEU H H 9.047 0.020 1 467 113 113 LEU C C 175.789 0.3 1 468 113 113 LEU CA C 52.713 0.3 1 469 113 113 LEU CB C 45.966 0.3 1 470 113 113 LEU N N 120.411 0.3 1 471 114 114 ILE H H 9.114 0.020 1 472 114 114 ILE C C 174.136 0.3 1 473 114 114 ILE CA C 59.759 0.3 1 474 114 114 ILE CB C 38.720 0.3 1 475 114 114 ILE N N 122.891 0.3 1 476 115 115 LEU H H 9.349 0.020 1 477 115 115 LEU CA C 52.245 0.3 1 478 115 115 LEU CB C 41.909 0.3 1 479 115 115 LEU N N 126.386 0.3 1 480 116 116 ILE H H 9.593 0.020 1 481 116 116 ILE CA C 60.914 0.3 1 482 116 116 ILE CB C 37.206 0.3 1 483 116 116 ILE N N 123.996 0.3 1 484 117 117 ALA H H 8.420 0.020 1 485 117 117 ALA C C 175.550 0.3 1 486 117 117 ALA CA C 50.972 0.3 1 487 117 117 ALA CB C 18.440 0.3 1 488 117 117 ALA N N 130.856 0.3 1 489 118 118 GLY H H 8.278 0.020 1 490 118 118 GLY C C 172.530 0.3 1 491 118 118 GLY CA C 44.830 0.3 1 492 118 118 GLY N N 109.247 0.3 1 493 119 119 ARG H H 8.229 0.020 1 494 119 119 ARG CA C 55.251 0.3 1 495 119 119 ARG CB C 29.994 0.3 1 496 119 119 ARG N N 120.344 0.3 1 497 121 121 GLU H H 8.747 0.020 1 498 121 121 GLU CA C 57.347 0.3 1 499 121 121 GLU N N 122.371 0.3 1 500 123 123 ILE H H 7.639 0.020 1 501 123 123 ILE C C 174.349 0.3 1 502 123 123 ILE CA C 61.184 0.3 1 503 123 123 ILE CB C 37.255 0.3 1 504 123 123 ILE N N 120.001 0.3 1 505 124 124 ASP H H 7.639 0.020 1 506 124 124 ASP CA C 52.945 0.3 1 507 124 124 ASP CB C 41.693 0.3 1 508 124 124 ASP N N 126.254 0.3 1 509 125 125 GLU H H 8.016 0.020 1 510 125 125 GLU C C 178.670 0.3 1 511 125 125 GLU CA C 59.380 0.3 1 512 125 125 GLU CB C 29.171 0.3 1 513 125 125 GLU N N 116.971 0.3 1 514 126 126 ARG H H 8.261 0.020 1 515 126 126 ARG C C 178.292 0.3 1 516 126 126 ARG CA C 58.426 0.3 1 517 126 126 ARG CB C 28.491 0.3 1 518 126 126 ARG N N 120.498 0.3 1 519 127 127 PHE H H 7.870 0.020 1 520 127 127 PHE C C 177.560 0.3 1 521 127 127 PHE CA C 61.213 0.3 1 522 127 127 PHE CB C 38.693 0.3 1 523 127 127 PHE N N 118.334 0.3 1 524 128 128 ILE H H 7.784 0.020 1 525 128 128 ILE CA C 63.359 0.3 1 526 128 128 ILE CB C 36.547 0.3 1 527 128 128 ILE N N 119.040 0.3 1 528 129 129 GLU H H 8.003 0.020 1 529 129 129 GLU C C 178.717 0.3 1 530 129 129 GLU CA C 58.818 0.3 1 531 129 129 GLU CB C 29.049 0.3 1 532 129 129 GLU N N 118.764 0.3 1 533 130 130 GLU H H 7.805 0.020 1 534 130 130 GLU C C 178.221 0.3 1 535 130 130 GLU CA C 58.025 0.3 1 536 130 130 GLU CB C 29.776 0.3 1 537 130 130 GLU N N 116.041 0.3 1 538 131 131 HIS H H 7.786 0.020 1 539 131 131 HIS C C 175.482 0.3 1 540 131 131 HIS CA C 56.857 0.3 1 541 131 131 HIS CB C 32.882 0.3 1 542 131 131 HIS N N 113.071 0.3 1 543 132 132 VAL H H 7.654 0.020 1 544 132 132 VAL C C 175.199 0.3 1 545 132 132 VAL CA C 61.999 0.3 1 546 132 132 VAL CB C 31.939 0.3 1 547 132 132 VAL N N 118.629 0.3 1 548 133 133 ASP H H 8.846 0.020 1 549 133 133 ASP CA C 57.231 0.3 1 550 133 133 ASP CB C 42.167 0.3 1 551 133 133 ASP N N 125.949 0.3 1 552 134 134 GLU H H 7.950 0.020 1 553 134 134 GLU C C 173.876 0.3 1 554 134 134 GLU CA C 54.952 0.3 1 555 134 134 GLU CB C 34.610 0.3 1 556 134 134 GLU N N 116.637 0.3 1 557 135 135 GLU H H 8.456 0.020 1 558 135 135 GLU C C 176.167 0.3 1 559 135 135 GLU CA C 54.687 0.3 1 560 135 135 GLU CB C 32.458 0.3 1 561 135 135 GLU N N 122.954 0.3 1 562 136 136 TRP H H 8.502 0.020 1 563 136 136 TRP C C 173.900 0.3 1 564 136 136 TRP CA C 56.490 0.3 1 565 136 136 TRP N N 123.477 0.3 1 566 137 137 SER H H 9.183 0.020 1 567 137 137 SER C C 175.883 0.3 1 568 137 137 SER CA C 55.045 0.3 1 569 137 137 SER CB C 65.796 0.3 1 570 137 137 SER N N 116.197 0.3 1 571 138 138 ILE H H 8.744 0.020 1 572 138 138 ILE C C 175.860 0.3 1 573 138 138 ILE CA C 62.467 0.3 1 574 138 138 ILE CB C 36.412 0.3 1 575 138 138 ILE N N 116.711 0.3 1 576 139 139 GLY H H 7.690 0.020 1 577 139 139 GLY C C 171.609 0.3 1 578 139 139 GLY CA C 45.203 0.3 1 579 139 139 GLY N N 108.853 0.3 1 580 140 140 ASP H H 8.656 0.020 1 581 140 140 ASP C C 174.939 0.3 1 582 140 140 ASP CA C 52.936 0.3 1 583 140 140 ASP CB C 39.979 0.3 1 584 140 140 ASP N N 121.526 0.3 1 585 141 141 TYR H H 6.873 0.020 1 586 141 141 TYR CA C 53.662 0.3 1 587 141 141 TYR CB C 38.821 0.3 1 588 141 141 TYR N N 116.636 0.3 1 589 142 142 VAL H H 8.779 0.020 1 590 142 142 VAL C C 175.199 0.3 1 591 142 142 VAL CA C 63.064 0.3 1 592 142 142 VAL CB C 32.034 0.3 1 593 142 142 VAL N N 123.116 0.3 1 594 143 143 LEU H H 7.932 0.020 1 595 143 143 LEU C C 178.434 0.3 1 596 143 143 LEU CA C 52.245 0.3 1 597 143 143 LEU CB C 43.824 0.3 1 598 143 143 LEU N N 126.170 0.3 1 599 144 144 SER H H 11.336 0.020 1 600 144 144 SER CA C 60.156 0.3 1 601 144 144 SER CB C 62.696 0.3 1 602 144 144 SER N N 119.213 0.3 1 603 145 145 GLY H H 7.292 0.020 1 604 145 145 GLY C C 174.585 0.3 1 605 145 145 GLY CA C 44.855 0.3 1 606 145 145 GLY N N 106.843 0.3 1 607 146 146 GLY H H 8.674 0.020 1 608 146 146 GLY C C 174.396 0.3 1 609 146 146 GLY CA C 45.661 0.3 1 610 146 146 GLY N N 107.885 0.3 1 611 147 147 GLU H H 9.258 0.020 1 612 147 147 GLU C C 177.961 0.3 1 613 147 147 GLU CA C 63.151 0.3 1 614 147 147 GLU CB C 28.513 0.3 1 615 147 147 GLU N N 125.519 0.3 1 616 148 148 LEU H H 9.200 0.020 1 617 148 148 LEU C C 177.443 0.3 1 618 148 148 LEU CA C 58.890 0.3 1 619 148 148 LEU CB C 37.756 0.3 1 620 148 148 LEU N N 117.176 0.3 1 621 149 149 PRO C C 176.285 0.3 1 622 149 149 PRO CA C 66.323 0.3 1 623 149 149 PRO CB C 30.534 0.3 1 624 150 150 ALA H H 8.042 0.020 1 625 150 150 ALA C C 178.481 0.3 1 626 150 150 ALA CA C 55.102 0.3 1 627 150 150 ALA CB C 17.173 0.3 1 628 150 150 ALA N N 118.237 0.3 1 629 151 151 MET H H 8.120 0.020 1 630 151 151 MET C C 177.017 0.3 1 631 151 151 MET CA C 60.648 0.3 1 632 151 151 MET N N 116.570 0.3 1 633 152 152 VAL H H 8.311 0.020 1 634 152 152 VAL C C 176.167 0.3 1 635 152 152 VAL CA C 66.330 0.3 1 636 152 152 VAL CB C 30.871 0.3 1 637 152 152 VAL N N 120.049 0.3 1 638 153 153 LEU H H 7.859 0.020 1 639 153 153 LEU C C 178.150 0.3 1 640 153 153 LEU CA C 58.957 0.3 1 641 153 153 LEU CB C 41.158 0.3 1 642 153 153 LEU N N 118.969 0.3 1 643 154 154 VAL H H 8.062 0.020 1 644 154 154 VAL C C 178.812 0.3 1 645 154 154 VAL CA C 67.009 0.3 1 646 154 154 VAL CB C 30.549 0.3 1 647 154 154 VAL N N 116.515 0.3 1 648 155 155 ASP H H 8.648 0.020 1 649 155 155 ASP C C 176.970 0.3 1 650 155 155 ASP CA C 58.675 0.3 1 651 155 155 ASP CB C 42.551 0.3 1 652 155 155 ASP N N 124.432 0.3 1 653 156 156 ALA H H 8.212 0.020 1 654 156 156 ALA C C 180.701 0.3 1 655 156 156 ALA CA C 54.920 0.3 1 656 156 156 ALA CB C 17.320 0.3 1 657 156 156 ALA N N 118.478 0.3 1 658 157 157 VAL H H 8.187 0.020 1 659 157 157 VAL C C 178.316 0.3 1 660 157 157 VAL CA C 64.884 0.3 1 661 157 157 VAL CB C 31.192 0.3 1 662 157 157 VAL N N 113.357 0.3 1 663 158 158 THR H H 8.267 0.020 1 664 158 158 THR C C 176.450 0.3 1 665 158 158 THR CA C 67.308 0.3 1 666 158 158 THR CB C 66.542 0.3 1 667 158 158 THR N N 118.590 0.3 1 668 159 159 ARG H H 7.448 0.020 1 669 159 159 ARG C C 176.379 0.3 1 670 159 159 ARG CA C 58.178 0.3 1 671 159 159 ARG CB C 28.942 0.3 1 672 159 159 ARG N N 115.984 0.3 1 673 160 160 LEU H H 7.426 0.020 1 674 160 160 LEU C C 178.150 0.3 1 675 160 160 LEU CA C 54.226 0.3 1 676 160 160 LEU CB C 40.459 0.3 1 677 160 160 LEU N N 117.269 0.3 1 678 161 161 LEU H H 7.737 0.020 1 679 161 161 LEU CA C 53.324 0.3 1 680 161 161 LEU CB C 39.778 0.3 1 681 161 161 LEU N N 123.305 0.3 1 682 162 162 PRO C C 177.536 0.3 1 683 162 162 PRO CA C 63.972 0.3 1 684 162 162 PRO CB C 30.539 0.3 1 685 163 163 GLY H H 8.558 0.020 1 686 163 163 GLY C C 175.624 0.3 1 687 163 163 GLY CA C 45.013 0.3 1 688 163 163 GLY N N 110.439 0.3 1 689 164 164 ALA H H 8.046 0.020 1 690 164 164 ALA C C 178.056 0.3 1 691 164 164 ALA CA C 53.865 0.3 1 692 164 164 ALA CB C 18.747 0.3 1 693 164 164 ALA N N 123.867 0.3 1 694 165 165 LEU H H 8.067 0.020 1 695 165 165 LEU CA C 54.383 0.3 1 696 165 165 LEU CB C 41.248 0.3 1 697 165 165 LEU N N 117.036 0.3 1 698 166 166 GLY H H 7.988 0.020 1 699 166 166 GLY C C 173.757 0.3 1 700 166 166 GLY CA C 44.864 0.3 1 701 166 166 GLY N N 108.306 0.3 1 702 167 167 HIS H H 8.225 0.020 1 703 167 167 HIS C C 175.696 0.3 1 704 167 167 HIS CA C 57.418 0.3 1 705 167 167 HIS CB C 37.771 0.3 1 706 167 167 HIS N N 124.868 0.3 1 707 168 168 ALA H H 8.113 0.020 1 708 168 168 ALA CA C 52.331 0.3 1 709 168 168 ALA CB C 18.664 0.3 1 710 168 168 ALA N N 125.556 0.3 1 711 169 169 ASP H H 8.449 0.020 1 712 169 169 ASP C C 176.378 0.3 1 713 169 169 ASP CA C 54.290 0.3 1 714 169 169 ASP CB C 40.909 0.3 1 715 169 169 ASP N N 119.929 0.3 1 716 170 170 SER H H 8.169 0.020 1 717 170 170 SER C C 174.465 0.3 1 718 170 170 SER CA C 58.136 0.3 1 719 170 170 SER CB C 63.667 0.3 1 720 170 170 SER N N 116.097 0.3 1 721 171 171 ALA H H 8.408 0.020 1 722 171 171 ALA C C 178.007 0.3 1 723 171 171 ALA CA C 52.369 0.3 1 724 171 171 ALA CB C 18.519 0.3 1 725 171 171 ALA N N 126.194 0.3 1 726 172 172 GLU H H 8.332 0.020 1 727 172 172 GLU C C 176.874 0.3 1 728 172 172 GLU CA C 56.490 0.3 1 729 172 172 GLU CB C 29.495 0.3 1 730 172 172 GLU N N 120.060 0.3 1 731 173 173 GLU H H 8.372 0.020 1 732 173 173 GLU C C 176.472 0.3 1 733 173 173 GLU CA C 56.472 0.3 1 734 173 173 GLU CB C 29.565 0.3 1 735 173 173 GLU N N 121.534 0.3 1 736 174 174 ASP H H 8.344 0.020 1 737 174 174 ASP C C 176.546 0.3 1 738 174 174 ASP CA C 54.250 0.3 1 739 174 174 ASP CB C 40.911 0.3 1 740 174 174 ASP N N 121.658 0.3 1 741 175 175 SER H H 8.318 0.020 1 742 175 175 SER C C 175.386 0.3 1 743 175 175 SER CA C 58.585 0.3 1 744 175 175 SER CB C 63.521 0.3 1 745 175 175 SER N N 116.834 0.3 1 746 176 176 PHE H H 8.159 0.020 1 747 176 176 PHE C C 176.310 0.3 1 748 176 176 PHE CA C 58.387 0.3 1 749 176 176 PHE CB C 38.367 0.3 1 750 176 176 PHE N N 121.763 0.3 1 751 177 177 THR H H 7.955 0.020 1 752 177 177 THR C C 174.260 0.3 1 753 177 177 THR CA C 61.504 0.3 1 754 177 177 THR CB C 68.247 0.3 1 755 177 177 THR N N 113.194 0.3 1 756 178 178 ASP H H 7.946 0.020 1 757 178 178 ASP CA C 55.295 0.3 1 758 178 178 ASP CB C 40.548 0.3 1 759 178 178 ASP N N 122.995 0.3 1 760 179 179 GLY H H 8.567 0.020 1 761 179 179 GLY C C 172.697 0.3 1 762 179 179 GLY CA C 45.294 0.3 1 763 179 179 GLY N N 111.756 0.3 1 764 180 180 LEU H H 7.595 0.020 1 765 180 180 LEU C C 177.892 0.3 1 766 180 180 LEU CA C 52.507 0.3 1 767 180 180 LEU CB C 44.183 0.3 1 768 180 180 LEU N N 117.368 0.3 1 769 181 181 LEU H H 7.914 0.020 1 770 181 181 LEU CA C 54.498 0.3 1 771 181 181 LEU CB C 39.976 0.3 1 772 181 181 LEU N N 119.708 0.3 1 773 182 182 ASP H H 7.712 0.020 1 774 182 182 ASP CA C 53.022 0.3 1 775 182 182 ASP CB C 41.493 0.3 1 776 182 182 ASP N N 115.998 0.3 1 777 183 183 CYS H H 8.214 0.020 1 778 183 183 CYS CA C 54.430 0.3 1 779 183 183 CYS CB C 27.341 0.3 1 780 183 183 CYS N N 117.272 0.3 1 781 185 185 HIS H H 8.382 0.020 1 782 185 185 HIS CA C 61.676 0.3 1 783 185 185 HIS N N 118.834 0.3 1 784 186 186 TYR H H 9.097 0.020 1 785 186 186 TYR C C 177.488 0.3 1 786 186 186 TYR CA C 59.616 0.3 1 787 186 186 TYR CB C 38.948 0.3 1 788 186 186 TYR N N 123.827 0.3 1 789 190 190 GLU H H 8.653 0.020 1 790 190 190 GLU C C 176.595 0.3 1 791 190 190 GLU CA C 56.696 0.3 1 792 190 190 GLU CB C 29.134 0.3 1 793 190 190 GLU N N 120.857 0.3 1 794 191 191 VAL H H 7.928 0.020 1 795 191 191 VAL C C 174.930 0.3 1 796 191 191 VAL CA C 62.088 0.3 1 797 191 191 VAL CB C 32.019 0.3 1 798 191 191 VAL N N 120.346 0.3 1 799 192 192 TYR H H 8.095 0.020 1 800 192 192 TYR C C 178.264 0.3 1 801 192 192 TYR CA C 57.483 0.3 1 802 192 192 TYR CB C 38.032 0.3 1 803 192 192 TYR N N 123.126 0.3 1 804 194 194 ASP H H 8.291 0.020 1 805 194 194 ASP CA C 55.563 0.3 1 806 194 194 ASP CB C 39.910 0.3 1 807 194 194 ASP N N 111.333 0.3 1 808 195 195 LYS H H 8.290 0.020 1 809 195 195 LYS C C 175.871 0.3 1 810 195 195 LYS CA C 55.288 0.3 1 811 195 195 LYS CB C 32.152 0.3 1 812 195 195 LYS N N 121.346 0.3 1 813 196 196 ARG H H 8.993 0.020 1 814 196 196 ARG C C 176.601 0.3 1 815 196 196 ARG CA C 54.546 0.3 1 816 196 196 ARG CB C 31.123 0.3 1 817 196 196 ARG N N 128.808 0.3 1 818 197 197 VAL H H 7.858 0.020 1 819 197 197 VAL CA C 60.290 0.3 1 820 197 197 VAL CB C 31.460 0.3 1 821 197 197 VAL N N 125.290 0.3 1 822 199 199 GLU H H 8.245 0.020 1 823 199 199 GLU C C 178.952 0.3 1 824 199 199 GLU CA C 59.265 0.3 1 825 199 199 GLU CB C 28.672 0.3 1 826 199 199 GLU N N 125.977 0.3 1 827 200 200 VAL H H 8.156 0.020 1 828 200 200 VAL C C 177.314 0.3 1 829 200 200 VAL CA C 63.874 0.3 1 830 200 200 VAL CB C 29.618 0.3 1 831 200 200 VAL N N 119.362 0.3 1 832 201 201 LEU H H 6.906 0.020 1 833 201 201 LEU CA C 55.920 0.3 1 834 201 201 LEU CB C 39.821 0.3 1 835 201 201 LEU N N 118.164 0.3 1 836 202 202 LEU H H 7.225 0.020 1 837 202 202 LEU CA C 54.189 0.3 1 838 202 202 LEU CB C 40.330 0.3 1 839 202 202 LEU N N 117.272 0.3 1 840 203 203 SER H H 7.654 0.020 1 841 203 203 SER C C 175.915 0.3 1 842 203 203 SER CA C 59.650 0.3 1 843 203 203 SER CB C 65.002 0.3 1 844 203 203 SER N N 113.330 0.3 1 845 204 204 GLY H H 8.167 0.020 1 846 204 204 GLY C C 172.956 0.3 1 847 204 204 GLY CA C 45.385 0.3 1 848 204 204 GLY N N 110.824 0.3 1 849 205 205 ASN H H 8.110 0.020 1 850 205 205 ASN CA C 51.669 0.3 1 851 205 205 ASN CB C 37.567 0.3 1 852 205 205 ASN N N 119.345 0.3 1 853 206 206 HIS H H 8.952 0.020 1 854 206 206 HIS CA C 52.238 0.3 1 855 206 206 HIS N N 118.680 0.3 1 856 207 207 GLU H H 9.645 0.020 1 857 207 207 GLU CA C 53.880 0.3 1 858 207 207 GLU CB C 28.552 0.3 1 859 207 207 GLU N N 121.833 0.3 1 860 208 208 HIS H H 8.745 0.020 1 861 208 208 HIS CA C 63.030 0.3 1 862 208 208 HIS CB C 32.398 0.3 1 863 208 208 HIS N N 122.195 0.3 1 864 213 213 ARG H H 7.920 0.020 1 865 213 213 ARG CA C 60.886 0.3 1 866 213 213 ARG CB C 32.696 0.3 1 867 213 213 ARG N N 115.472 0.3 1 868 214 214 LEU H H 8.367 0.020 1 869 214 214 LEU CA C 57.177 0.3 1 870 214 214 LEU CB C 41.338 0.3 1 871 214 214 LEU N N 128.415 0.3 1 872 215 215 GLN H H 8.657 0.020 1 873 215 215 GLN C C 177.467 0.3 1 874 215 215 GLN CA C 59.743 0.3 1 875 215 215 GLN CB C 29.092 0.3 1 876 215 215 GLN N N 119.010 0.3 1 877 216 216 GLN H H 8.442 0.020 1 878 216 216 GLN CA C 57.280 0.3 1 879 216 216 GLN CB C 27.461 0.3 1 880 216 216 GLN N N 115.913 0.3 1 881 217 217 ALA H H 8.232 0.020 1 882 217 217 ALA C C 181.646 0.3 1 883 217 217 ALA CA C 55.323 0.3 1 884 217 217 ALA CB C 18.176 0.3 1 885 217 217 ALA N N 123.208 0.3 1 886 218 218 LEU H H 8.792 0.020 1 887 218 218 LEU C C 178.276 0.3 1 888 218 218 LEU CA C 58.144 0.3 1 889 218 218 LEU CB C 41.488 0.3 1 890 218 218 LEU N N 122.115 0.3 1 891 219 219 GLY H H 8.268 0.020 1 892 219 219 GLY C C 175.528 0.3 1 893 219 219 GLY CA C 45.735 0.3 1 894 219 219 GLY N N 107.636 0.3 1 895 220 220 ARG H H 8.497 0.020 1 896 220 220 ARG C C 178.845 0.3 1 897 220 220 ARG CA C 58.860 0.3 1 898 220 220 ARG CB C 29.352 0.3 1 899 220 220 ARG N N 120.516 0.3 1 900 221 221 THR H H 7.852 0.020 1 901 221 221 THR CA C 59.627 0.3 1 902 221 221 THR N N 118.436 0.3 1 903 222 222 TRP H H 8.618 0.020 1 904 222 222 TRP CA C 61.704 0.3 1 905 222 222 TRP N N 123.056 0.3 1 906 223 223 GLU H H 8.412 0.020 1 907 223 223 GLU CA C 59.032 0.3 1 908 223 223 GLU CB C 30.491 0.3 1 909 223 223 GLU N N 115.124 0.3 1 910 224 224 ARG H H 7.978 0.020 1 911 224 224 ARG CA C 57.456 0.3 1 912 224 224 ARG CB C 32.248 0.3 1 913 224 224 ARG N N 114.896 0.3 1 914 225 225 ARG H H 8.946 0.020 1 915 225 225 ARG CA C 50.972 0.3 1 916 225 225 ARG CB C 29.693 0.3 1 917 225 225 ARG N N 123.612 0.3 1 918 226 226 ALA H H 8.529 0.020 1 919 226 226 ALA C C 179.707 0.3 1 920 226 226 ALA CA C 55.563 0.3 1 921 226 226 ALA CB C 16.847 0.3 1 922 226 226 ALA N N 125.424 0.3 1 923 227 227 ASP H H 8.887 0.020 1 924 227 227 ASP C C 179.025 0.3 1 925 227 227 ASP CA C 55.748 0.3 1 926 227 227 ASP CB C 38.986 0.3 1 927 227 227 ASP N N 115.315 0.3 1 928 228 228 LEU H H 8.018 0.020 1 929 228 228 LEU C C 179.993 0.3 1 930 228 228 LEU CA C 56.744 0.3 1 931 228 228 LEU CB C 39.834 0.3 1 932 228 228 LEU N N 121.059 0.3 1 933 229 229 LEU H H 7.491 0.020 1 934 229 229 LEU CA C 55.769 0.3 1 935 229 229 LEU CB C 40.436 0.3 1 936 229 229 LEU N N 117.858 0.3 1 937 230 230 ASP H H 7.757 0.020 1 938 230 230 ASP CA C 56.433 0.3 1 939 230 230 ASP CB C 40.396 0.3 1 940 230 230 ASP N N 118.746 0.3 1 941 231 231 SER H H 7.581 0.020 1 942 231 231 SER CA C 62.705 0.3 1 943 231 231 SER N N 118.547 0.3 1 944 232 232 ARG H H 8.845 0.020 1 945 232 232 ARG CA C 57.306 0.3 1 946 232 232 ARG N N 127.146 0.3 1 947 233 233 SER H H 8.531 0.020 1 948 233 233 SER CA C 57.358 0.3 1 949 233 233 SER CB C 62.748 0.3 1 950 233 233 SER N N 120.050 0.3 1 951 234 234 LEU H H 8.557 0.020 1 952 234 234 LEU CA C 54.373 0.3 1 953 234 234 LEU CB C 42.147 0.3 1 954 234 234 LEU N N 126.781 0.3 1 955 235 235 SER H H 9.325 0.020 1 956 235 235 SER CA C 56.799 0.3 1 957 235 235 SER CB C 65.036 0.3 1 958 235 235 SER N N 121.680 0.3 1 959 237 237 GLU H H 8.427 0.020 1 960 237 237 GLU CA C 58.867 0.3 1 961 237 237 GLU CB C 29.564 0.3 1 962 237 237 GLU N N 122.281 0.3 1 963 238 238 GLU H H 7.872 0.020 1 964 238 238 GLU C C 178.553 0.3 1 965 238 238 GLU CA C 58.961 0.3 1 966 238 238 GLU CB C 29.352 0.3 1 967 238 238 GLU N N 119.686 0.3 1 968 239 239 GLN H H 8.777 0.020 1 969 239 239 GLN C C 179.424 0.3 1 970 239 239 GLN CA C 59.215 0.3 1 971 239 239 GLN CB C 27.679 0.3 1 972 239 239 GLN N N 117.846 0.3 1 973 240 240 LYS H H 7.688 0.020 1 974 240 240 LYS C C 179.544 0.3 1 975 240 240 LYS CA C 59.169 0.3 1 976 240 240 LYS CB C 31.545 0.3 1 977 240 240 LYS N N 120.498 0.3 1 978 241 241 LEU H H 8.270 0.020 1 979 241 241 LEU C C 180.597 0.3 1 980 241 241 LEU CA C 57.313 0.3 1 981 241 241 LEU CB C 41.413 0.3 1 982 241 241 LEU N N 120.049 0.3 1 983 242 242 LEU H H 8.646 0.020 1 984 242 242 LEU C C 177.154 0.3 1 985 242 242 LEU CA C 57.299 0.3 1 986 242 242 LEU CB C 40.557 0.3 1 987 242 242 LEU N N 122.123 0.3 1 988 243 243 ALA H H 8.061 0.020 1 989 243 243 ALA C C 180.988 0.3 1 990 243 243 ALA CA C 54.977 0.3 1 991 243 243 ALA CB C 16.839 0.3 1 992 243 243 ALA N N 121.058 0.3 1 993 244 244 GLU H H 7.855 0.020 1 994 244 244 GLU C C 177.700 0.3 1 995 244 244 GLU CA C 58.678 0.3 1 996 244 244 GLU CB C 29.164 0.3 1 997 244 244 GLU N N 117.971 0.3 1 998 245 245 TYR H H 7.877 0.020 1 999 245 245 TYR C C 177.935 0.3 1 1000 245 245 TYR CA C 61.204 0.3 1 1001 245 245 TYR CB C 37.466 0.3 1 1002 245 245 TYR N N 122.095 0.3 1 1003 246 246 ILE H H 8.298 0.020 1 1004 246 246 ILE C C 178.624 0.3 1 1005 246 246 ILE CA C 65.199 0.3 1 1006 246 246 ILE CB C 37.711 0.3 1 1007 246 246 ILE N N 120.156 0.3 1 1008 247 247 ARG H H 7.840 0.020 1 1009 247 247 ARG C C 178.577 0.3 1 1010 247 247 ARG CA C 58.517 0.3 1 1011 247 247 ARG CB C 29.275 0.3 1 1012 247 247 ARG N N 119.615 0.3 1 1013 248 248 GLN H H 7.787 0.020 1 1014 248 248 GLN C C 177.511 0.3 1 1015 248 248 GLN CA C 57.040 0.3 1 1016 248 248 GLN CB C 27.534 0.3 1 1017 248 248 GLN N N 117.023 0.3 1 1018 249 249 ARG H H 7.561 0.020 1 1019 249 249 ARG C C 177.181 0.3 1 1020 249 249 ARG CA C 56.799 0.3 1 1021 249 249 ARG CB C 29.206 0.3 1 1022 249 249 ARG N N 120.153 0.3 1 1023 250 250 ASP H H 8.068 0.020 1 1024 250 250 ASP CA C 54.911 0.3 1 1025 250 250 ASP CB C 40.586 0.3 1 1026 250 250 ASP N N 120.961 0.3 1 1027 251 251 ASP H H 8.224 0.020 1 1028 251 251 ASP CA C 56.010 0.3 1 1029 251 251 ASP CB C 40.817 0.3 1 1030 251 251 ASP N N 121.377 0.3 1 stop_ save_