data_27622 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of HOX protein SCR ; _BMRB_accession_number 27622 _BMRB_flat_file_name bmr27622.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 . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Maiti Snigdha . . 2 Acharya Bidisha . . 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" 142 "13C chemical shifts" 280 "15N chemical shifts" 85 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 'SCR monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SCR monomer' $SCR 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_SCR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SCR _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; KKNPPQIYPWMKRVHLGTST VNANGETKRQRTSYTRYQTL ELEKEFHFNRYLTRRRRIEI AHALSLTERQIKIWFQNRRM KWKKEHK ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 LYS 3 ASN 4 PRO 5 PRO 6 GLN 7 ILE 8 TYR 9 PRO 10 TRP 11 MET 12 LYS 13 ARG 14 VAL 15 HIS 16 LEU 17 GLY 18 THR 19 SER 20 THR 21 VAL 22 ASN 23 ALA 24 ASN 25 GLY 26 GLU 27 THR 28 LYS 29 ARG 30 GLN 31 ARG 32 THR 33 SER 34 TYR 35 THR 36 ARG 37 TYR 38 GLN 39 THR 40 LEU 41 GLU 42 LEU 43 GLU 44 LYS 45 GLU 46 PHE 47 HIS 48 PHE 49 ASN 50 ARG 51 TYR 52 LEU 53 THR 54 ARG 55 ARG 56 ARG 57 ARG 58 ILE 59 GLU 60 ILE 61 ALA 62 HIS 63 ALA 64 LEU 65 SER 66 LEU 67 THR 68 GLU 69 ARG 70 GLN 71 ILE 72 LYS 73 ILE 74 TRP 75 PHE 76 GLN 77 ASN 78 ARG 79 ARG 80 MET 81 LYS 82 TRP 83 LYS 84 LYS 85 GLU 86 HIS 87 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 $SCR '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 $SCR 'recombinant technology' . Escherichia coli BL21(DE3) 'pET28 (a+)' 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 $SCR 0.36 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 . 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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '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 'SCR 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 LYS H H 8.341 . . 2 1 1 LYS HA H 4.293 . . 3 1 1 LYS HB2 H 1.753 . . 4 1 1 LYS HG2 H 1.426 . . 5 1 1 LYS C C 173.5 . . 6 1 1 LYS CA C 53.75 . . 7 1 1 LYS CB C 30.3 . . 8 1 1 LYS CG C 21.86 . . 9 1 1 LYS CD C 26.02 . . 10 1 1 LYS N N 123.4 . . 11 2 2 LYS H H 8.291 . . 12 2 2 LYS C C 173.2 . . 13 2 2 LYS CA C 53.43 . . 14 2 2 LYS CB C 30.59 . . 15 2 2 LYS N N 122.8 . . 16 3 3 ASN H H 8.483 . . 17 3 3 ASN HA H 4.95 . . 18 3 3 ASN HB2 H 2.643 . . 19 3 3 ASN C C 170 . . 20 3 3 ASN CA C 48.83 . . 21 3 3 ASN CB C 35.91 . . 22 3 3 ASN N N 121.4 . . 23 5 5 PRO C C 173.9 . . 24 5 5 PRO CA C 60.33 . . 25 5 5 PRO CB C 29.32 . . 26 6 6 GLN H H 8.232 . . 27 6 6 GLN HA H 4.197 . . 28 6 6 GLN HB2 H 1.837 . . 29 6 6 GLN HG2 H 2.183 . . 30 6 6 GLN HE21 H 7.349 . . 31 6 6 GLN HE22 H 6.804 . . 32 6 6 GLN C C 172.4 . . 33 6 6 GLN CA C 52.85 . . 34 6 6 GLN CB C 26.83 . . 35 6 6 GLN CG C 30.97 . . 36 6 6 GLN N N 120.4 . . 37 6 6 GLN NE2 N 112.3 . . 38 7 7 ILE H H 7.893 . . 39 7 7 ILE HA H 4.059 . . 40 7 7 ILE HB H 1.652 . . 41 7 7 ILE HD1 H 0.693 . . 42 7 7 ILE C C 172.7 . . 43 7 7 ILE CA C 57.82 . . 44 7 7 ILE CB C 35.84 . . 45 7 7 ILE CG1 C 23.99 . . 46 7 7 ILE CG2 C 14.63 . . 47 7 7 ILE CD1 C 9.841 . . 48 7 7 ILE N N 121.6 . . 49 8 8 TYR H H 7.796 . . 50 8 8 TYR HA H 4.632 . . 51 8 8 TYR HB2 H 2.231 . . 52 8 8 TYR HB3 H 2.029 . . 53 8 8 TYR C C 172.4 . . 54 8 8 TYR CA C 52.71 . . 55 8 8 TYR CB C 40.17 . . 56 8 8 TYR N N 124.8 . . 57 9 9 PRO CA C 61.9 . . 58 9 9 PRO CB C 29.01 . . 59 10 10 TRP H H 7.148 . . 60 10 10 TRP HA H 4.621 . . 61 10 10 TRP HB2 H 3.35 . . 62 10 10 TRP HE1 H 10.2 . . 63 10 10 TRP C C 173.9 . . 64 10 10 TRP CA C 54.54 . . 65 10 10 TRP CB C 25.58 . . 66 10 10 TRP N N 115.5 . . 67 10 10 TRP NE1 N 130.6 . . 68 11 11 MET H H 7.556 . . 69 11 11 MET HA H 4.275 . . 70 11 11 MET C C 173.2 . . 71 11 11 MET CA C 53.76 . . 72 11 11 MET CB C 30.01 . . 73 11 11 MET N N 121.1 . . 74 12 12 LYS H H 7.858 . . 75 12 12 LYS C C 173.6 . . 76 12 12 LYS CA C 53.97 . . 77 12 12 LYS CB C 30.11 . . 78 12 12 LYS N N 121.1 . . 79 13 13 ARG H H 8.129 . . 80 13 13 ARG C C 173.4 . . 81 13 13 ARG CA C 53.69 . . 82 13 13 ARG CB C 28.08 . . 83 13 13 ARG N N 121.6 . . 84 14 14 VAL C C 175.9 . . 85 14 14 VAL CA C 58.7 . . 86 14 14 VAL CB C 27.19 . . 87 15 15 HIS H H 8.291 . . 88 15 15 HIS C C 173.1 . . 89 15 15 HIS CA C 53.29 . . 90 15 15 HIS CB C 27.36 . . 91 15 15 HIS N N 118.7 . . 92 16 16 LEU H H 8.283 . . 93 16 16 LEU HA H 4.349 . . 94 16 16 LEU HB2 H 1.605 . . 95 16 16 LEU HD1 H 0.875 . . 96 16 16 LEU C C 175 . . 97 16 16 LEU CA C 52.53 . . 98 16 16 LEU CB C 39.82 . . 99 16 16 LEU CG C 23.98 . . 100 16 16 LEU CD1 C 21.85 . . 101 16 16 LEU CD2 C 20.37 . . 102 16 16 LEU N N 124.5 . . 103 17 17 GLY H H 8.364 . . 104 17 17 GLY HA2 H 3.981 . . 105 17 17 GLY C C 171.6 . . 106 17 17 GLY CA C 42.72 . . 107 17 17 GLY N N 109.5 . . 108 18 18 THR H H 8.034 . . 109 18 18 THR HA H 4.398 . . 110 18 18 THR HG2 H 1.198 . . 111 18 18 THR C C 172.1 . . 112 18 18 THR CA C 59.21 . . 113 18 18 THR CB C 67.26 . . 114 18 18 THR CG2 C 18.77 . . 115 18 18 THR N N 113.3 . . 116 19 19 SER H H 8.374 . . 117 19 19 SER HA H 4.567 . . 118 19 19 SER HB2 H 3.889 . . 119 19 19 SER C C 172 . . 120 19 19 SER CA C 55.75 . . 121 19 19 SER CB C 61.38 . . 122 19 19 SER N N 118.1 . . 123 20 20 THR H H 8.215 . . 124 20 20 THR HA H 4.378 . . 125 20 20 THR HG2 H 1.194 . . 126 20 20 THR C C 171.8 . . 127 20 20 THR CA C 59.54 . . 128 20 20 THR CB C 67.14 . . 129 20 20 THR CG2 C 18.9 . . 130 20 20 THR N N 116.2 . . 131 21 21 VAL H H 8.085 . . 132 21 21 VAL HA H 4.117 . . 133 21 21 VAL HB H 2.049 . . 134 21 21 VAL HG2 H 0.91 . . 135 21 21 VAL C C 173 . . 136 21 21 VAL CA C 59.76 . . 137 21 21 VAL CB C 30.08 . . 138 21 21 VAL CG1 C 17.89 . . 139 21 21 VAL N N 122 . . 140 22 22 ASN H H 8.447 . . 141 22 22 ASN HA H 4.715 . . 142 22 22 ASN HB2 H 2.78 . . 143 22 22 ASN C C 171.8 . . 144 22 22 ASN CA C 50.39 . . 145 22 22 ASN CB C 36.44 . . 146 22 22 ASN N N 122.6 . . 147 23 23 ALA H H 8.195 . . 148 23 23 ALA C C 173.7 . . 149 23 23 ALA CA C 51.19 . . 150 23 23 ALA CB C 16.79 . . 151 23 23 ALA N N 125 . . 152 24 24 ASN H H 7.984 . . 153 24 24 ASN C C 176.6 . . 154 24 24 ASN CA C 52.33 . . 155 24 24 ASN CB C 38.42 . . 156 24 24 ASN N N 123.3 . . 157 25 25 GLY H H 8.23 . . 158 25 25 GLY C C 172 . . 159 25 25 GLY CA C 43.06 . . 160 25 25 GLY N N 108.8 . . 161 26 26 GLU H H 8.509 . . 162 26 26 GLU C C 174.7 . . 163 26 26 GLU CA C 54.51 . . 164 26 26 GLU CB C 27.41 . . 165 26 26 GLU N N 120.8 . . 166 27 27 THR H H 8.156 . . 167 27 27 THR HA H 4.24 . . 168 27 27 THR HG2 H 1.215 . . 169 27 27 THR C C 172.4 . . 170 27 27 THR CA C 60.2 . . 171 27 27 THR CB C 66.89 . . 172 27 27 THR N N 114.9 . . 173 28 28 LYS H H 8.163 . . 174 28 28 LYS C C 174 . . 175 28 28 LYS CA C 54.08 . . 176 28 28 LYS CB C 29.95 . . 177 28 28 LYS N N 122.9 . . 178 29 29 ARG H H 8.114 . . 179 29 29 ARG C C 173.7 . . 180 29 29 ARG CA C 58.74 . . 181 29 29 ARG CB C 28.05 . . 182 29 29 ARG N N 121.2 . . 183 31 31 ARG CA C 54.06 . . 184 31 31 ARG CB C 27.91 . . 185 32 32 THR H H 8.193 . . 186 32 32 THR C C 171.3 . . 187 32 32 THR CA C 59.25 . . 188 32 32 THR CB C 67.41 . . 189 32 32 THR N N 115.7 . . 190 33 33 SER H H 8.164 . . 191 33 33 SER C C 170.5 . . 192 33 33 SER CA C 55.44 . . 193 33 33 SER CB C 61.58 . . 194 33 33 SER N N 118.9 . . 195 34 34 TYR H H 8.074 . . 196 34 34 TYR C C 174.3 . . 197 34 34 TYR CA C 54.42 . . 198 34 34 TYR CB C 37.44 . . 199 34 34 TYR N N 120.9 . . 200 35 35 THR H H 9.142 . . 201 35 35 THR HA H 4.463 . . 202 35 35 THR C C 173 . . 203 35 35 THR CA C 58.35 . . 204 35 35 THR CB C 68.6 . . 205 35 35 THR N N 114.8 . . 206 36 36 ARG H H 9.023 . . 207 36 36 ARG C C 175.3 . . 208 36 36 ARG CA C 57.28 . . 209 36 36 ARG CB C 26.75 . . 210 36 36 ARG N N 123.2 . . 211 37 37 TYR H H 8.316 . . 212 37 37 TYR C C 174.3 . . 213 37 37 TYR CA C 58.89 . . 214 37 37 TYR CB C 36.03 . . 215 37 37 TYR N N 118.1 . . 216 38 38 GLN H H 7.681 . . 217 38 38 GLN HE21 H 7.668 . . 218 38 38 GLN HE22 H 6.76 . . 219 38 38 GLN C C 174.7 . . 220 38 38 GLN CA C 56.51 . . 221 38 38 GLN CB C 25.05 . . 222 38 38 GLN CG C 32.03 . . 223 38 38 GLN N N 116 . . 224 38 38 GLN NE2 N 111 . . 225 39 39 THR H H 8.442 . . 226 39 39 THR HA H 4.302 . . 227 39 39 THR HB H 3.392 . . 228 39 39 THR HG2 H 1.311 . . 229 39 39 THR C C 174.7 . . 230 39 39 THR CA C 64.88 . . 231 39 39 THR CB C 66.09 . . 232 39 39 THR N N 113.3 . . 233 40 40 LEU H H 8.155 . . 234 40 40 LEU C C 177.9 . . 235 40 40 LEU CA C 55.81 . . 236 40 40 LEU CB C 39.13 . . 237 40 40 LEU N N 121.1 . . 238 41 41 GLU H H 7.701 . . 239 41 41 GLU C C 177 . . 240 41 41 GLU CA C 56 . . 241 41 41 GLU CB C 27.38 . . 242 41 41 GLU N N 118.8 . . 243 42 42 LEU H H 8.124 . . 244 42 42 LEU C C 175.1 . . 245 42 42 LEU CA C 55.76 . . 246 42 42 LEU CB C 34.85 . . 247 42 42 LEU N N 123.5 . . 248 43 43 GLU H H 8.171 . . 249 43 43 GLU C C 177.2 . . 250 43 43 GLU CA C 56.6 . . 251 43 43 GLU CB C 26.35 . . 252 43 43 GLU N N 119.2 . . 253 44 44 LYS H H 7.729 . . 254 44 44 LYS C C 176.6 . . 255 44 44 LYS CA C 57.24 . . 256 44 44 LYS CB C 29.56 . . 257 44 44 LYS N N 120.5 . . 258 45 45 GLU H H 7.848 . . 259 45 45 GLU C C 176.1 . . 260 45 45 GLU CA C 56.56 . . 261 45 45 GLU CB C 25.96 . . 262 45 45 GLU CG C 32.78 . . 263 45 45 GLU N N 120.2 . . 264 46 46 PHE H H 8.874 . . 265 46 46 PHE HA H 4.442 . . 266 46 46 PHE HB2 H 3.101 . . 267 46 46 PHE C C 173 . . 268 46 46 PHE CA C 57.98 . . 269 46 46 PHE CB C 36.57 . . 270 46 46 PHE N N 121.1 . . 271 47 47 HIS H H 7.703 . . 272 47 47 HIS C C 173.5 . . 273 47 47 HIS CA C 55.81 . . 274 47 47 HIS CB C 25.88 . . 275 47 47 HIS N N 113.4 . . 276 48 48 PHE H H 7.597 . . 277 48 48 PHE C C 173.5 . . 278 48 48 PHE CA C 57.01 . . 279 48 48 PHE CB C 37.1 . . 280 48 48 PHE N N 118.2 . . 281 49 49 ASN H H 8.376 . . 282 49 49 ASN HD21 H 7.987 . . 283 49 49 ASN HD22 H 7.251 . . 284 49 49 ASN C C 170.3 . . 285 49 49 ASN CA C 50.43 . . 286 49 49 ASN CB C 37.95 . . 287 49 49 ASN N N 117 . . 288 49 49 ASN ND2 N 115.5 . . 289 50 50 ARG H H 8.092 . . 290 50 50 ARG C C 171.8 . . 291 50 50 ARG CA C 54.44 . . 292 50 50 ARG CB C 27.66 . . 293 50 50 ARG N N 120.7 . . 294 51 51 TYR H H 7.569 . . 295 51 51 TYR C C 172.2 . . 296 51 51 TYR CA C 54.21 . . 297 51 51 TYR CB C 38.05 . . 298 51 51 TYR N N 114.2 . . 299 52 52 LEU H H 8.294 . . 300 52 52 LEU C C 175.6 . . 301 52 52 LEU CA C 50.71 . . 302 52 52 LEU CB C 41.56 . . 303 52 52 LEU N N 122 . . 304 53 53 THR H H 7.567 . . 305 53 53 THR C C 172.4 . . 306 53 53 THR CA C 57.93 . . 307 53 53 THR CB C 68.3 . . 308 53 53 THR N N 112.2 . . 309 54 54 ARG H H 8.811 . . 310 54 54 ARG C C 175.3 . . 311 54 54 ARG CA C 57.66 . . 312 54 54 ARG CB C 26.59 . . 313 54 54 ARG N N 122.7 . . 314 55 55 ARG H H 8.249 . . 315 55 55 ARG C C 175.7 . . 316 55 55 ARG CA C 56.55 . . 317 55 55 ARG CB C 27.07 . . 318 55 55 ARG CG C 23.89 . . 319 55 55 ARG CD C 40.5 . . 320 55 55 ARG N N 116 . . 321 56 56 ARG H H 7.652 . . 322 56 56 ARG C C 175.1 . . 323 56 56 ARG CA C 54.62 . . 324 56 56 ARG CB C 27.04 . . 325 56 56 ARG N N 119.2 . . 326 57 57 ARG H H 8.416 . . 327 57 57 ARG C C 175 . . 328 57 57 ARG CA C 58.09 . . 329 57 57 ARG CB C 27.73 . . 330 57 57 ARG N N 119.3 . . 331 58 58 ILE H H 7.893 . . 332 58 58 ILE C C 175.4 . . 333 58 58 ILE CA C 62.79 . . 334 58 58 ILE CB C 35.5 . . 335 58 58 ILE CG1 C 26.54 . . 336 58 58 ILE CG2 C 14.35 . . 337 58 58 ILE CD1 C 10.68 . . 338 58 58 ILE N N 118.1 . . 339 59 59 GLU H H 7.766 . . 340 59 59 GLU C C 177.8 . . 341 59 59 GLU CA C 57.15 . . 342 59 59 GLU CB C 27.39 . . 343 59 59 GLU N N 120.5 . . 344 60 60 ILE H H 8.617 . . 345 60 60 ILE HD1 H 0.696 . . 346 60 60 ILE C C 174.6 . . 347 60 60 ILE CA C 62.18 . . 348 60 60 ILE CB C 35.19 . . 349 60 60 ILE CG1 C 25.65 . . 350 60 60 ILE CG2 C 15.23 . . 351 60 60 ILE CD1 C 11.46 . . 352 60 60 ILE N N 120.8 . . 353 61 61 ALA H H 8.306 . . 354 61 61 ALA C C 177.4 . . 355 61 61 ALA CA C 53.95 . . 356 61 61 ALA CB C 14.67 . . 357 61 61 ALA N N 124.1 . . 358 62 62 HIS H H 7.973 . . 359 62 62 HIS C C 175.3 . . 360 62 62 HIS CA C 55.74 . . 361 62 62 HIS CB C 26.08 . . 362 62 62 HIS N N 113.9 . . 363 63 63 ALA H H 8.201 . . 364 63 63 ALA C C 177.2 . . 365 63 63 ALA CA C 52.44 . . 366 63 63 ALA CB C 15.8 . . 367 63 63 ALA N N 122 . . 368 64 64 LEU H H 8.3 . . 369 64 64 LEU C C 173.8 . . 370 64 64 LEU CA C 51.64 . . 371 64 64 LEU CB C 40.11 . . 372 64 64 LEU N N 113.5 . . 373 65 65 SER H H 7.826 . . 374 65 65 SER C C 171 . . 375 65 65 SER CA C 56.4 . . 376 65 65 SER CB C 58.72 . . 377 65 65 SER N N 114.5 . . 378 66 66 LEU H H 8.148 . . 379 66 66 LEU C C 173.6 . . 380 66 66 LEU CA C 49.8 . . 381 66 66 LEU CB C 44.78 . . 382 66 66 LEU N N 119.8 . . 383 67 67 THR H H 8.709 . . 384 67 67 THR HG2 H 1.329 . . 385 67 67 THR C C 173.6 . . 386 67 67 THR CA C 57.75 . . 387 67 67 THR CB C 68.59 . . 388 67 67 THR N N 109.4 . . 389 68 68 GLU H H 9.091 . . 390 68 68 GLU HA H 3.684 . . 391 68 68 GLU HB2 H 2.026 . . 392 68 68 GLU C C 175.9 . . 393 68 68 GLU CA C 58.55 . . 394 68 68 GLU CB C 27.23 . . 395 68 68 GLU N N 120.4 . . 396 69 69 ARG C C 175.3 . . 397 69 69 ARG CA C 57.01 . . 398 69 69 ARG CB C 27.24 . . 399 70 70 GLN H H 7.929 . . 400 70 70 GLN C C 175.9 . . 401 70 70 GLN CA C 56.86 . . 402 70 70 GLN CB C 27.55 . . 403 70 70 GLN N N 117.3 . . 404 71 71 ILE H H 7.993 . . 405 71 71 ILE C C 174.1 . . 406 71 71 ILE CA C 59.96 . . 407 71 71 ILE CB C 32.37 . . 408 71 71 ILE CG1 C 25.23 . . 409 71 71 ILE CG2 C 16.2 . . 410 71 71 ILE CD1 C 10.2 . . 411 71 71 ILE N N 120.7 . . 412 72 72 LYS H H 8.534 . . 413 72 72 LYS C C 177.6 . . 414 72 72 LYS CA C 57.71 . . 415 72 72 LYS CB C 30.44 . . 416 72 72 LYS N N 121.4 . . 417 73 73 ILE H H 8.525 . . 418 73 73 ILE C C 174.9 . . 419 73 73 ILE CA C 61.79 . . 420 73 73 ILE CB C 35.5 . . 421 73 73 ILE CG1 C 26.24 . . 422 73 73 ILE CG2 C 14.48 . . 423 73 73 ILE CD1 C 10.16 . . 424 73 73 ILE N N 119.4 . . 425 74 74 TRP H H 8.103 . . 426 74 74 TRP C C 177.6 . . 427 74 74 TRP CA C 60.8 . . 428 74 74 TRP CB C 26.49 . . 429 74 74 TRP N N 122.1 . . 430 75 75 PHE H H 9.022 . . 431 75 75 PHE HA H 3.83 . . 432 75 75 PHE HB2 H 3.538 . . 433 75 75 PHE HB3 H 3.254 . . 434 75 75 PHE C C 175.3 . . 435 75 75 PHE CA C 61.17 . . 436 75 75 PHE CB C 36.91 . . 437 75 75 PHE N N 119 . . 438 76 76 GLN H H 8.259 . . 439 76 76 GLN HE21 H 7.524 . . 440 76 76 GLN HE22 H 6.867 . . 441 76 76 GLN C C 176.5 . . 442 76 76 GLN CA C 57.1 . . 443 76 76 GLN CB C 25.71 . . 444 76 76 GLN CG C 31.05 . . 445 76 76 GLN N N 119.5 . . 446 76 76 GLN NE2 N 111.1 . . 447 77 77 ASN H H 8.282 . . 448 77 77 ASN HA H 4.36 . . 449 77 77 ASN HB2 H 2.64 . . 450 77 77 ASN HB3 H 2.449 . . 451 77 77 ASN C C 175.2 . . 452 77 77 ASN CA C 53.09 . . 453 77 77 ASN CB C 35.06 . . 454 77 77 ASN N N 118.7 . . 455 78 78 ARG H H 8.362 . . 456 78 78 ARG C C 177.1 . . 457 78 78 ARG CA C 53.81 . . 458 78 78 ARG CB C 25.62 . . 459 78 78 ARG N N 123.8 . . 460 79 79 ARG H H 8.388 . . 461 79 79 ARG C C 176.2 . . 462 79 79 ARG CA C 58.34 . . 463 79 79 ARG CB C 28.77 . . 464 79 79 ARG N N 119.5 . . 465 80 80 MET H H 7.563 . . 466 80 80 MET HA H 4.312 . . 467 80 80 MET HB2 H 2.246 . . 468 80 80 MET HG2 H 2.716 . . 469 80 80 MET C C 175.7 . . 470 80 80 MET CA C 56.04 . . 471 80 80 MET CB C 29.07 . . 472 80 80 MET N N 119.6 . . 473 81 81 LYS H H 7.522 . . 474 81 81 LYS C C 175.2 . . 475 81 81 LYS CA C 56.61 . . 476 81 81 LYS CB C 29.7 . . 477 81 81 LYS N N 120.7 . . 478 82 82 TRP H H 8.243 . . 479 82 82 TRP C C 175.7 . . 480 82 82 TRP CA C 57.88 . . 481 82 82 TRP CB C 26.8 . . 482 82 82 TRP N N 120.1 . . 483 83 83 LYS H H 8.344 . . 484 83 83 LYS C C 174.9 . . 485 83 83 LYS CA C 56.28 . . 486 83 83 LYS CB C 29.86 . . 487 83 83 LYS N N 119.6 . . 488 84 84 LYS H H 7.565 . . 489 84 84 LYS C C 175 . . 490 84 84 LYS CA C 55.63 . . 491 84 84 LYS CB C 30.53 . . 492 84 84 LYS N N 117 . . 493 85 85 GLU H H 8.123 . . 494 85 85 GLU C C 173.5 . . 495 85 85 GLU CA C 53.95 . . 496 85 85 GLU CB C 28.11 . . 497 85 85 GLU N N 116 . . 498 86 86 HIS H H 7.968 . . 499 86 86 HIS C C 170.3 . . 500 86 86 HIS CA C 53.02 . . 501 86 86 HIS CB C 24.48 . . 502 86 86 HIS N N 117.1 . . 503 87 87 LYS H H 7.37 . . 504 87 87 LYS C C 178.5 . . 505 87 87 LYS CA C 54.97 . . 506 87 87 LYS CB C 31.47 . . 507 87 87 LYS N N 123.7 . . stop_ save_