data_27621 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N, 13C assignment of DfdT337-K426. ; _BMRB_accession_number 27621 _BMRB_flat_file_name bmr27621.str _Entry_type original _Submission_date 2018-09-24 _Accession_date 2018-09-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone assignment' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Acharya Bidisha . . 2 Maiti Snigdha . . 3 De Soumya . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 94 "13C chemical shifts" 310 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-10 update BMRB 'update entry citation' 2019-03-28 original author 'original release' stop_ _Original_release_date 2018-09-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Dynamic Studies on Intrinsically Disordered Regions of Two Paralogous Transcription Factors Reveal Rigid Segments with Important Biological Functions ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30802457 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Maiti Snigdha . . 2 Acharya Bidisha . . 3 Boorla 'Veda Sheersh' S. . 4 Manna Bharat . . 5 Ghosh Amit . . 6 De Soumya . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 431 _Journal_issue 7 _Journal_ISSN 1089-8638 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1353 _Page_last 1369 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DFD mononer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DFD monomer' $DFD 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_DFD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DFD _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; TDGERIIYPWMKKIHVAGVA NGSYQPGMEPKRQRTAYTRH QILELEKEFHYNRYLTRRRR IEIAHTLVLSERQIKIWFQN RRMKWKKDNK ; loop_ _Residue_seq_code _Residue_label 1 THR 2 ASP 3 GLY 4 GLU 5 ARG 6 ILE 7 ILE 8 TYR 9 PRO 10 TRP 11 MET 12 LYS 13 LYS 14 ILE 15 HIS 16 VAL 17 ALA 18 GLY 19 VAL 20 ALA 21 ASN 22 GLY 23 SER 24 TYR 25 GLN 26 PRO 27 GLY 28 MET 29 GLU 30 PRO 31 LYS 32 ARG 33 GLN 34 ARG 35 THR 36 ALA 37 TYR 38 THR 39 ARG 40 HIS 41 GLN 42 ILE 43 LEU 44 GLU 45 LEU 46 GLU 47 LYS 48 GLU 49 PHE 50 HIS 51 TYR 52 ASN 53 ARG 54 TYR 55 LEU 56 THR 57 ARG 58 ARG 59 ARG 60 ARG 61 ILE 62 GLU 63 ILE 64 ALA 65 HIS 66 THR 67 LEU 68 VAL 69 LEU 70 SER 71 GLU 72 ARG 73 GLN 74 ILE 75 LYS 76 ILE 77 TRP 78 PHE 79 GLN 80 ASN 81 ARG 82 ARG 83 MET 84 LYS 85 TRP 86 LYS 87 LYS 88 ASP 89 ASN 90 LYS 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 $DFD 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $DFD 'recombinant technology' . Escherichia coli BL21(DE3) pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DFD 0.3 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.131 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 5.5 . pH pressure 1 . atm temperature 298 . 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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 $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DFD monomer' _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 1 THR H H 8.224 . . 2 1 1 THR C C 171.8 . . 3 1 1 THR CA C 61.2 . . 4 1 1 THR CB C 69.3 . . 5 1 1 THR N N 114.4 . . 6 2 2 ASP H H 8.383 . . 7 2 2 ASP C C 174.2 . . 8 2 2 ASP CA C 54.22 . . 9 2 2 ASP CB C 40.44 . . 10 2 2 ASP N N 122.6 . . 11 3 3 GLY H H 8.344 . . 12 3 3 GLY C C 171.6 . . 13 3 3 GLY CA C 44.86 . . 14 3 3 GLY N N 108.8 . . 15 4 4 GLU H H 8.175 . . 16 4 4 GLU C C 173.7 . . 17 4 4 GLU CA C 56.03 . . 18 4 4 GLU CB C 29.54 . . 19 4 4 GLU N N 120.3 . . 20 5 5 ARG H H 8.212 . . 21 5 5 ARG C C 173 . . 22 5 5 ARG CA C 55.58 . . 23 5 5 ARG CB C 29.98 . . 24 5 5 ARG CG C 26.43 . . 25 5 5 ARG CD C 42.83 . . 26 5 5 ARG N N 121.6 . . 27 6 6 ILE H H 7.999 . . 28 6 6 ILE C C 172.5 . . 29 6 6 ILE CA C 60.29 . . 30 6 6 ILE CB C 37.82 . . 31 6 6 ILE CG1 C 26.6 . . 32 6 6 ILE CG2 C 16.54 . . 33 6 6 ILE CD1 C 12.01 . . 34 6 6 ILE N N 122.8 . . 35 7 7 ILE H H 7.976 . . 36 7 7 ILE C C 172.7 . . 37 7 7 ILE CA C 59.62 . . 38 7 7 ILE CB C 37.58 . . 39 7 7 ILE CG1 C 26.23 . . 40 7 7 ILE CG2 C 16.81 . . 41 7 7 ILE CD1 C 11.68 . . 42 7 7 ILE N N 124.8 . . 43 8 8 TYR H H 7.708 . . 44 8 8 TYR C C 172.5 . . 45 8 8 TYR CA C 55.04 . . 46 8 8 TYR CB C 37.13 . . 47 8 8 TYR N N 125.2 . . 48 9 9 PRO C C 174.4 . . 49 9 9 PRO CA C 64.26 . . 50 9 9 PRO CB C 31.05 . . 51 9 9 PRO CG C 26.84 . . 52 9 9 PRO CD C 50.3 . . 53 10 10 TRP H H 7.076 . . 54 10 10 TRP HE1 H 10.26 . . 55 10 10 TRP C C 174 . . 56 10 10 TRP CA C 56.59 . . 57 10 10 TRP CB C 27.42 . . 58 10 10 TRP N N 114.5 . . 59 10 10 TRP NE1 N 130.8 . . 60 11 11 MET H H 7.551 . . 61 11 11 MET C C 173.4 . . 62 11 11 MET CA C 55.8 . . 63 11 11 MET CB C 32.17 . . 64 11 11 MET N N 121 . . 65 12 12 LYS H H 7.966 . . 66 12 12 LYS C C 173.8 . . 67 12 12 LYS CA C 56.02 . . 68 12 12 LYS CB C 32.02 . . 69 12 12 LYS CG C 24.18 . . 70 12 12 LYS CD C 28.39 . . 71 12 12 LYS N N 120.8 . . 72 13 13 LYS H H 8.259 . . 73 13 13 LYS C C 173.5 . . 74 13 13 LYS CA C 55.59 . . 75 13 13 LYS CB C 30.07 . . 76 13 13 LYS N N 121.5 . . 77 14 14 ILE C C 173 . . 78 14 14 ILE CA C 60.17 . . 79 14 14 ILE CB C 37.73 . . 80 14 14 ILE CG1 C 26.45 . . 81 15 15 HIS H H 7.996 . . 82 15 15 HIS C C 172 . . 83 15 15 HIS CA C 55.22 . . 84 15 15 HIS CB C 29.47 . . 85 15 15 HIS N N 123 . . 86 16 16 VAL H H 8.142 . . 87 16 16 VAL C C 172.9 . . 88 16 16 VAL CA C 61.55 . . 89 16 16 VAL CB C 32.3 . . 90 16 16 VAL CG1 C 20.22 . . 91 16 16 VAL CG2 C 19.53 . . 92 16 16 VAL N N 122.8 . . 93 17 17 ALA H H 8.406 . . 94 17 17 ALA C C 175.3 . . 95 17 17 ALA CA C 52.04 . . 96 17 17 ALA CB C 18.63 . . 97 17 17 ALA N N 127.8 . . 98 18 18 GLY H H 8.336 . . 99 18 18 GLY C C 171.4 . . 100 18 18 GLY CA C 44.69 . . 101 18 18 GLY N N 108.4 . . 102 19 19 VAL H H 7.923 . . 103 19 19 VAL C C 173.3 . . 104 19 19 VAL CA C 61.54 . . 105 19 19 VAL CB C 32.12 . . 106 19 19 VAL CG1 C 20.31 . . 107 19 19 VAL CG2 C 19.57 . . 108 19 19 VAL N N 119 . . 109 20 20 ALA H H 8.441 . . 110 20 20 ALA C C 174.8 . . 111 20 20 ALA CA C 51.94 . . 112 20 20 ALA CB C 18.41 . . 113 20 20 ALA N N 127.6 . . 114 21 21 ASN H H 8.392 . . 115 21 21 ASN HD21 H 7.616 . . 116 21 21 ASN HD22 H 6.934 . . 117 21 21 ASN C C 173.1 . . 118 21 21 ASN CA C 52.64 . . 119 21 21 ASN CB C 38.3 . . 120 21 21 ASN N N 118.3 . . 121 21 21 ASN ND2 N 112.7 . . 122 22 22 GLY H H 8.364 . . 123 22 22 GLY C C 174 . . 124 22 22 GLY CA C 44.9 . . 125 22 22 GLY N N 109.3 . . 126 23 23 SER H H 8.303 . . 127 23 23 SER C C 175.8 . . 128 23 23 SER CA C 57.97 . . 129 23 23 SER CB C 63.49 . . 130 23 23 SER N N 115.7 . . 131 24 24 TYR H H 8.162 . . 132 24 24 TYR C C 172.4 . . 133 24 24 TYR CA C 57.31 . . 134 24 24 TYR CB C 38.4 . . 135 24 24 TYR N N 122 . . 136 25 25 GLN H H 8.156 . . 137 25 25 GLN C C 170.5 . . 138 25 25 GLN CA C 52.46 . . 139 25 25 GLN CB C 28.6 . . 140 25 25 GLN N N 124.4 . . 141 26 26 PRO C C 174.8 . . 142 26 26 PRO CA C 63.1 . . 143 26 26 PRO CB C 31.2 . . 144 27 27 GLY H H 8.594 . . 145 27 27 GLY C C 171.7 . . 146 27 27 GLY CA C 44.71 . . 147 27 27 GLY N N 109.9 . . 148 28 28 MET H H 8.07 . . 149 28 28 MET C C 173.2 . . 150 28 28 MET CA C 54.33 . . 151 28 28 MET CB C 32.18 . . 152 28 28 MET N N 119.3 . . 153 29 29 GLU H H 8.554 . . 154 29 29 GLU C C 171.9 . . 155 29 29 GLU CA C 55.29 . . 156 29 29 GLU CB C 28.72 . . 157 29 29 GLU N N 123.2 . . 158 30 30 PRO C C 174.4 . . 159 30 30 PRO CA C 62.91 . . 160 30 30 PRO CB C 31.3 . . 161 30 30 PRO CG C 26.75 . . 162 30 30 PRO CD C 50.18 . . 163 31 31 LYS H H 8.373 . . 164 31 31 LYS C C 173.9 . . 165 31 31 LYS CA C 56.04 . . 166 31 31 LYS CB C 32.15 . . 167 31 31 LYS N N 120.8 . . 168 32 32 ARG H H 8.103 . . 169 32 32 ARG C C 173.5 . . 170 32 32 ARG CA C 55.73 . . 171 32 32 ARG CB C 30.13 . . 172 32 32 ARG CG C 25.35 . . 173 32 32 ARG CD C 42.79 . . 174 32 32 ARG N N 121.5 . . 175 33 33 GLN H H 8.374 . . 176 33 33 GLN HE21 H 7.538 . . 177 33 33 GLN HE22 H 6.873 . . 178 33 33 GLN C C 173.2 . . 179 33 33 GLN CA C 55.36 . . 180 33 33 GLN CB C 28.9 . . 181 33 33 GLN CG C 33.08 . . 182 33 33 GLN N N 121.5 . . 183 33 33 GLN NE2 N 112.3 . . 184 34 34 ARG H H 8.454 . . 185 34 34 ARG C C 173.6 . . 186 34 34 ARG CA C 55.77 . . 187 34 34 ARG CB C 30.13 . . 188 34 34 ARG CG C 26.48 . . 189 34 34 ARG CD C 42.81 . . 190 34 34 ARG N N 122.8 . . 191 35 35 THR H H 8.196 . . 192 35 35 THR C C 171 . . 193 35 35 THR CA C 61.23 . . 194 35 35 THR CB C 69.36 . . 195 35 35 THR CG2 C 20.99 . . 196 35 35 THR N N 116 . . 197 36 36 ALA H H 8.263 . . 198 36 36 ALA C C 174 . . 199 36 36 ALA CA C 51.77 . . 200 36 36 ALA CB C 18.96 . . 201 36 36 ALA N N 127.1 . . 202 37 37 TYR H H 7.845 . . 203 37 37 TYR C C 174.1 . . 204 37 37 TYR CA C 56.12 . . 205 37 37 TYR CB C 39.94 . . 206 37 37 TYR N N 117.5 . . 207 38 38 THR H H 9.167 . . 208 38 38 THR C C 172.4 . . 209 38 38 THR CA C 59.88 . . 210 38 38 THR CB C 70.43 . . 211 38 38 THR N N 114.3 . . 212 39 39 ARG H H 8.855 . . 213 39 39 ARG C C 173 . . 214 39 39 ARG CA C 59.58 . . 215 39 39 ARG CB C 28.69 . . 216 39 39 ARG N N 121.4 . . 217 40 40 HIS H H 8.299 . . 218 40 40 HIS C C 173 . . 219 40 40 HIS CA C 58.63 . . 220 40 40 HIS CB C 29.02 . . 221 40 40 HIS N N 115.8 . . 222 41 41 GLN H H 7.721 . . 223 41 41 GLN C C 174.5 . . 224 41 41 GLN CA C 58.81 . . 225 41 41 GLN CB C 26.69 . . 226 41 41 GLN CG C 34.33 . . 227 41 41 GLN N N 116 . . 228 42 42 ILE H H 8.189 . . 229 42 42 ILE C C 174.7 . . 230 42 42 ILE CA C 64.02 . . 231 42 42 ILE CB C 36.69 . . 232 42 42 ILE N N 117.1 . . 233 43 43 LEU H H 8.181 . . 234 43 43 LEU C C 176.4 . . 235 43 43 LEU CA C 57.82 . . 236 43 43 LEU CB C 41 . . 237 43 43 LEU N N 118.7 . . 238 44 44 GLU H H 7.704 . . 239 44 44 GLU C C 176.9 . . 240 44 44 GLU CA C 58.2 . . 241 44 44 GLU CB C 29.41 . . 242 44 44 GLU N N 117.8 . . 243 45 45 LEU H H 8.283 . . 244 45 45 LEU C C 175.2 . . 245 45 45 LEU CA C 57.83 . . 246 45 45 LEU N N 123.8 . . 247 46 46 GLU H H 8.097 . . 248 46 46 GLU C C 175 . . 249 46 46 GLU CA C 58.22 . . 250 46 46 GLU CB C 28.63 . . 251 46 46 GLU N N 116 . . 252 47 47 LYS H H 8.127 . . 253 47 47 LYS C C 175.9 . . 254 47 47 LYS CA C 58.78 . . 255 47 47 LYS CB C 31.64 . . 256 47 47 LYS CG C 24.15 . . 257 47 47 LYS CD C 28.82 . . 258 47 47 LYS N N 119.6 . . 259 48 48 GLU H H 7.977 . . 260 48 48 GLU C C 176.1 . . 261 48 48 GLU CA C 58.65 . . 262 48 48 GLU CB C 28.03 . . 263 48 48 GLU N N 120.2 . . 264 49 49 PHE H H 8.933 . . 265 49 49 PHE C C 173.1 . . 266 49 49 PHE CA C 59.85 . . 267 49 49 PHE CB C 38.64 . . 268 49 49 PHE N N 120.9 . . 269 50 50 HIS H H 7.814 . . 270 50 50 HIS C C 173.4 . . 271 50 50 HIS CA C 52.69 . . 272 50 50 HIS CB C 27.71 . . 273 50 50 HIS N N 114.3 . . 274 51 51 TYR H H 7.626 . . 275 51 51 TYR C C 173.6 . . 276 51 51 TYR CA C 59.14 . . 277 51 51 TYR CB C 38.2 . . 278 51 51 TYR N N 118.2 . . 279 52 52 ASN H H 8.385 . . 280 52 52 ASN C C 175.8 . . 281 52 52 ASN CA C 52.37 . . 282 52 52 ASN CB C 39.88 . . 283 52 52 ASN N N 117 . . 284 53 53 ARG H H 8.126 . . 285 53 53 ARG C C 171.8 . . 286 53 53 ARG CA C 56.22 . . 287 53 53 ARG CB C 29.63 . . 288 53 53 ARG N N 120.9 . . 289 54 54 TYR H H 7.649 . . 290 54 54 TYR C C 172.2 . . 291 54 54 TYR CA C 55.96 . . 292 54 54 TYR CB C 40.01 . . 293 54 54 TYR N N 114.3 . . 294 55 55 LEU H H 8.328 . . 295 55 55 LEU C C 174.8 . . 296 55 55 LEU CA C 52.78 . . 297 55 55 LEU CB C 43.32 . . 298 55 55 LEU CG C 25.5 . . 299 55 55 LEU CD1 C 22.89 . . 300 55 55 LEU N N 122.1 . . 301 56 56 THR H H 7.653 . . 302 56 56 THR C C 172.3 . . 303 56 56 THR CA C 59.74 . . 304 56 56 THR CB C 70.33 . . 305 56 56 THR CG2 C 21.6 . . 306 56 56 THR N N 112.7 . . 307 57 57 ARG H H 8.851 . . 308 57 57 ARG C C 175.4 . . 309 57 57 ARG CA C 59.14 . . 310 57 57 ARG CB C 28.73 . . 311 57 57 ARG CG C 26.42 . . 312 57 57 ARG CD C 42.56 . . 313 57 57 ARG N N 122.7 . . 314 58 58 ARG H H 8.491 . . 315 58 58 ARG C C 175.2 . . 316 58 58 ARG CA C 60.11 . . 317 58 58 ARG CB C 29.6 . . 318 58 58 ARG CD C 42.44 . . 319 58 58 ARG N N 116.1 . . 320 59 59 ARG H H 7.795 . . 321 59 59 ARG C C 175.1 . . 322 59 59 ARG CA C 56.86 . . 323 59 59 ARG CB C 29.17 . . 324 59 59 ARG CG C 26.01 . . 325 59 59 ARG CD C 42.28 . . 326 59 59 ARG N N 122.7 . . 327 60 60 ARG H H 8.445 . . 328 60 60 ARG C C 175.7 . . 329 60 60 ARG CA C 59.19 . . 330 60 60 ARG CB C 29.63 . . 331 60 60 ARG CG C 27.65 . . 332 60 60 ARG CD C 43.26 . . 333 60 60 ARG N N 119.3 . . 334 61 61 ILE H H 7.972 . . 335 61 61 ILE C C 175.4 . . 336 61 61 ILE CA C 61.53 . . 337 61 61 ILE CB C 37.63 . . 338 61 61 ILE N N 118 . . 339 62 62 GLU H H 7.728 . . 340 62 62 GLU C C 177.1 . . 341 62 62 GLU CA C 59.24 . . 342 62 62 GLU CB C 30.06 . . 343 62 62 GLU N N 120.8 . . 344 63 63 ILE H H 8.652 . . 345 63 63 ILE C C 174.9 . . 346 63 63 ILE CA C 64.3 . . 347 63 63 ILE CB C 37.11 . . 348 63 63 ILE CG1 C 27.91 . . 349 63 63 ILE CG2 C 17.39 . . 350 63 63 ILE N N 119.8 . . 351 64 64 ALA H H 8.359 . . 352 64 64 ALA C C 177.7 . . 353 64 64 ALA CA C 55.73 . . 354 64 64 ALA CB C 17.02 . . 355 64 64 ALA N N 124.3 . . 356 65 65 HIS H H 7.974 . . 357 65 65 HIS C C 175 . . 358 65 65 HIS CA C 57.72 . . 359 65 65 HIS CB C 27.97 . . 360 65 65 HIS N N 114.2 . . 361 66 66 THR H H 8.405 . . 362 66 66 THR C C 173.2 . . 363 66 66 THR CA C 65.55 . . 364 66 66 THR CB C 68.59 . . 365 66 66 THR N N 116 . . 366 67 67 LEU H H 8.686 . . 367 67 67 LEU C C 173.6 . . 368 67 67 LEU CA C 54.05 . . 369 67 67 LEU CB C 41.53 . . 370 67 67 LEU N N 117.4 . . 371 68 68 VAL H H 7.782 . . 372 68 68 VAL C C 171.4 . . 373 68 68 VAL CA C 62.97 . . 374 68 68 VAL CB C 32.10 . . 375 68 68 VAL N N 121 . . 376 69 69 LEU C C 172.9 . . 377 69 69 LEU CA C 51.95 . . 378 69 69 LEU CB C 62.97 . . 379 70 70 SER H H 8.803 . . 380 70 70 SER C C 173.2 . . 381 70 70 SER CA C 56.4 . . 382 70 70 SER CB C 64.74 . . 383 70 70 SER N N 115.2 . . 384 71 71 GLU H H 9.165 . . 385 71 71 GLU C C 175.9 . . 386 71 71 GLU CA C 60.68 . . 387 71 71 GLU CB C 29.25 . . 388 71 71 GLU N N 121.4 . . 389 72 72 ARG H H 8.365 . . 390 72 72 ARG C C 175.3 . . 391 72 72 ARG CA C 59 . . 392 72 72 ARG CB C 29.31 . . 393 72 72 ARG CG C 26.55 . . 394 72 72 ARG CD C 42.72 . . 395 72 72 ARG N N 118.6 . . 396 73 73 GLN H H 7.956 . . 397 73 73 GLN C C 177.4 . . 398 73 73 GLN CA C 58.6 . . 399 73 73 GLN CB C 28.85 . . 400 73 73 GLN N N 117.4 . . 401 74 74 ILE H H 7.989 . . 402 74 74 ILE C C 174.4 . . 403 74 74 ILE CA C 64.02 . . 404 74 74 ILE CB C 36.47 . . 405 74 74 ILE N N 120.8 . . 406 75 75 LYS H H 8.488 . . 407 75 75 LYS C C 177.5 . . 408 75 75 LYS CA C 59.6 . . 409 75 75 LYS CB C 32.43 . . 410 75 75 LYS N N 121 . . 411 76 76 ILE H H 8.466 . . 412 76 76 ILE C C 174.9 . . 413 76 76 ILE CA C 59.96 . . 414 76 76 ILE CB C 37.51 . . 415 76 76 ILE N N 119.4 . . 416 77 77 TRP C C 177.4 . . 417 77 77 TRP CA C 62.89 . . 418 77 77 TRP CB C 28.21 . . 419 78 78 PHE H H 9.058 . . 420 78 78 PHE C C 175.3 . . 421 78 78 PHE CA C 59.2 . . 422 78 78 PHE CB C 38.88 . . 423 78 78 PHE N N 119 . . 424 79 79 GLN H H 8.265 . . 425 79 79 GLN HE21 H 7.564 . . 426 79 79 GLN HE22 H 6.921 . . 427 79 79 GLN C C 176.4 . . 428 79 79 GLN CA C 59.01 . . 429 79 79 GLN CB C 27.78 . . 430 79 79 GLN CG C 33.09 . . 431 79 79 GLN N N 119 . . 432 79 79 GLN NE2 N 111.2 . . 433 80 80 ASN H H 8.268 . . 434 80 80 ASN HD21 H 7.394 . . 435 80 80 ASN HD22 H 6.916 . . 436 80 80 ASN C C 175.1 . . 437 80 80 ASN CA C 55.13 . . 438 80 80 ASN CB C 37.14 . . 439 80 80 ASN N N 118.5 . . 440 80 80 ASN ND2 N 112.4 . . 441 81 81 ARG H H 8.36 . . 442 81 81 ARG C C 176.9 . . 443 81 81 ARG CA C 56.13 . . 444 81 81 ARG CB C 27.62 . . 445 81 81 ARG N N 123.6 . . 446 82 82 ARG C C 176 . . 447 82 82 ARG CA C 60.06 . . 448 82 82 ARG CB C 30.61 . . 449 83 83 MET H H 7.552 . . 450 83 83 MET C C 175.5 . . 451 83 83 MET CA C 57.76 . . 452 83 83 MET CB C 31.21 . . 453 83 83 MET N N 118.9 . . 454 84 84 LYS H H 7.552 . . 455 84 84 LYS C C 174.6 . . 456 84 84 LYS CA C 57.97 . . 457 84 84 LYS CB C 31.86 . . 458 84 84 LYS N N 120.6 . . 459 85 85 TRP H H 8.167 . . 460 85 85 TRP C C 176.3 . . 461 85 85 TRP CA C 55.91 . . 462 85 85 TRP CB C 28.25 . . 463 85 85 TRP N N 120.3 . . 464 86 86 LYS H H 8.221 . . 465 86 86 LYS C C 175.4 . . 466 86 86 LYS CA C 56.65 . . 467 86 86 LYS CB C 31.41 . . 468 86 86 LYS N N 119.2 . . 469 87 87 LYS H H 7.66 . . 470 87 87 LYS C C 174.7 . . 471 87 87 LYS CA C 57.4 . . 472 87 87 LYS CB C 32.06 . . 473 87 87 LYS CG C 23.98 . . 474 87 87 LYS CD C 28.37 . . 475 87 87 LYS N N 119.1 . . 476 88 88 ASP H H 8.202 . . 477 88 88 ASP C C 173.5 . . 478 88 88 ASP CA C 54.21 . . 479 88 88 ASP CB C 40.78 . . 480 88 88 ASP N N 117.9 . . 481 89 89 ASN H H 8.039 . . 482 89 89 ASN HD21 H 7.109 . . 483 89 89 ASN HD22 H 6.531 . . 484 89 89 ASN C C 170.8 . . 485 89 89 ASN CA C 52.87 . . 486 89 89 ASN CB C 37.83 . . 487 89 89 ASN N N 118.2 . . 488 89 89 ASN ND2 N 112.7 . . 489 90 90 LYS H H 7.46 . . 490 90 90 LYS C C 178.6 . . 491 90 90 LYS CA C 57.27 . . 492 90 90 LYS CB C 33.21 . . 493 90 90 LYS N N 123.6 . . stop_ save_