data_27461 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human TGIF1 c-term domain ; _BMRB_accession_number 27461 _BMRB_flat_file_name bmr27461.str _Entry_type original _Submission_date 2018-04-23 _Accession_date 2018-04-23 _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 'Sunol Moreno' David . . 2 Macias 'Maria J.' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 78 "13C chemical shifts" 149 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-11-07 update BMRB 'update entry citation' 2018-07-17 original author 'original release' stop_ _Original_release_date 2018-04-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; TGIF1 homeodomain interacts with Smad MH1 domain and represses TGF-beta signaling. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30060237 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Guca Ewelina . . 2 Sunol David . . 3 Ruiz Lidia . . 4 Konkol Agnieszka . . 5 Cordero Jorge . . 6 Torner Carles . . 7 Aragon Eric . . 8 Martin-Malpartida Pau . . 9 Riera Antoni . . 10 Macias Maria J. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 46 _Journal_issue 17 _Journal_ISSN 1362-4962 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9220 _Page_last 9235 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TGIF1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TGIF1 $TGIF1 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_TGIF1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TGIF1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; GAMGIKNFMPALEETPFHSC TAGPNPTLGRPLSPKPSSPG SVLARPSVICHTTVTALKDV PFSLCQSVGVGQNTDIQQIA AKNFTDTSLMYPED ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 254 GLY 2 255 ALA 3 256 MET 4 257 GLY 5 258 ILE 6 259 LYS 7 260 ASN 8 261 PHE 9 262 MET 10 263 PRO 11 264 ALA 12 265 LEU 13 266 GLU 14 267 GLU 15 268 THR 16 269 PRO 17 270 PHE 18 271 HIS 19 272 SER 20 273 CYS 21 274 THR 22 275 ALA 23 276 GLY 24 277 PRO 25 278 ASN 26 279 PRO 27 280 THR 28 281 LEU 29 282 GLY 30 283 ARG 31 284 PRO 32 285 LEU 33 286 SER 34 287 PRO 35 288 LYS 36 289 PRO 37 290 SER 38 291 SER 39 292 PRO 40 293 GLY 41 294 SER 42 295 VAL 43 296 LEU 44 297 ALA 45 298 ARG 46 299 PRO 47 300 SER 48 301 VAL 49 302 ILE 50 303 CYS 51 304 HIS 52 305 THR 53 306 THR 54 307 VAL 55 308 THR 56 309 ALA 57 310 LEU 58 311 LYS 59 312 ASP 60 313 VAL 61 314 PRO 62 315 PHE 63 316 SER 64 317 LEU 65 318 CYS 66 319 GLN 67 320 SER 68 321 VAL 69 322 GLY 70 323 VAL 71 324 GLY 72 325 GLN 73 326 ASN 74 327 THR 75 328 ASP 76 329 ILE 77 330 GLN 78 331 GLN 79 332 ILE 80 333 ALA 81 334 ALA 82 335 LYS 83 336 ASN 84 337 PHE 85 338 THR 86 339 ASP 87 340 THR 88 341 SER 89 342 LEU 90 343 MET 91 344 TYR 92 345 PRO 93 346 GLU 94 347 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP Q15583 TGIF1 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TGIF1 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 $TGIF1 'recombinant technology' . Escherichia coli . petM11 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 $TGIF1 100 mM '[U-100% 13C; U-100% 15N]' D2O 10 '% v/v' [U-2H] 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 80 mM 'natural abundance' TCEP 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_blanquito _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_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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.25 . 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 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HN(CO)CACB' 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 TGIF1 _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 1 256 3 MET H H 8.392 0.000 1 2 256 3 MET CA C 55.302 0.001 1 3 256 3 MET CB C 32.505 0.058 1 4 256 3 MET N N 119.758 0.002 1 5 257 4 GLY H H 8.258 0.000 1 6 257 4 GLY CA C 45.058 0.006 1 7 257 4 GLY N N 110.237 0.007 1 8 258 5 ILE H H 7.844 0.000 1 9 258 5 ILE CA C 60.880 0.006 1 10 258 5 ILE CB C 38.452 0.008 1 11 258 5 ILE N N 120.203 0.009 1 12 259 6 LYS H H 8.260 0.001 1 13 259 6 LYS CA C 56.041 0.006 1 14 259 6 LYS CB C 32.760 0.011 1 15 259 6 LYS N N 125.441 0.011 1 16 260 7 ASN H H 8.210 0.001 1 17 260 7 ASN CA C 52.913 0.020 1 18 260 7 ASN CB C 38.701 0.000 1 19 260 7 ASN N N 119.826 0.009 1 20 261 8 PHE H H 8.022 0.002 1 21 261 8 PHE CA C 57.604 0.003 1 22 261 8 PHE CB C 39.358 0.020 1 23 261 8 PHE N N 120.495 0.007 1 24 262 9 MET H H 7.980 0.001 1 25 262 9 MET CA C 52.503 0.000 1 26 262 9 MET CB C 32.379 0.000 1 27 262 9 MET N N 124.074 0.008 1 28 264 11 ALA H H 8.221 0.001 1 29 264 11 ALA CA C 51.971 0.015 1 30 264 11 ALA CB C 18.956 0.019 1 31 264 11 ALA N N 124.129 0.016 1 32 265 12 LEU H H 8.090 0.000 1 33 265 12 LEU CA C 54.920 0.016 1 34 265 12 LEU CB C 42.204 0.004 1 35 265 12 LEU N N 121.812 0.002 1 36 266 13 GLU H H 8.242 0.001 1 37 266 13 GLU CA C 56.118 0.001 1 38 266 13 GLU CB C 30.181 0.002 1 39 266 13 GLU N N 121.598 0.004 1 40 267 14 GLU H H 8.269 0.002 1 41 267 14 GLU CA C 56.027 0.002 1 42 267 14 GLU CB C 30.292 0.009 1 43 267 14 GLU N N 122.392 0.025 1 44 268 15 THR H H 8.165 0.001 1 45 268 15 THR CA C 59.498 0.000 1 46 268 15 THR CB C 69.477 0.000 1 47 268 15 THR N N 117.974 0.012 1 48 270 17 PHE H H 8.092 0.001 1 49 270 17 PHE N N 120.271 0.020 1 50 273 20 CYS H H 8.427 0.003 1 51 273 20 CYS CA C 58.387 0.022 1 52 273 20 CYS CB C 27.802 0.003 1 53 273 20 CYS N N 121.388 0.058 1 54 274 21 THR H H 8.097 0.002 1 55 274 21 THR CA C 61.720 0.035 1 56 274 21 THR CB C 69.469 0.013 1 57 274 21 THR N N 116.374 0.039 1 58 275 22 ALA H H 8.131 0.001 1 59 275 22 ALA CA C 52.301 0.026 1 60 275 22 ALA CB C 19.339 0.004 1 61 275 22 ALA N N 126.538 0.008 1 62 276 23 GLY H H 8.021 0.001 1 63 276 23 GLY CA C 44.204 0.000 1 64 276 23 GLY N N 108.392 0.007 1 65 278 25 ASN H H 8.419 0.001 1 66 278 25 ASN CA C 51.130 0.000 1 67 278 25 ASN CB C 38.513 0.000 1 68 278 25 ASN N N 119.765 0.011 1 69 280 27 THR H H 8.078 0.001 1 70 280 27 THR CA C 62.066 0.027 1 71 280 27 THR CB C 69.353 0.007 1 72 280 27 THR N N 113.772 0.014 1 73 281 28 LEU H H 7.894 0.001 1 74 281 28 LEU CA C 55.093 0.012 1 75 281 28 LEU CB C 42.075 0.017 1 76 281 28 LEU N N 124.085 0.014 1 77 282 29 GLY H H 8.218 0.000 1 78 282 29 GLY CA C 44.885 0.009 1 79 282 29 GLY N N 109.530 0.004 1 80 283 30 ARG H H 7.905 0.001 1 81 283 30 ARG CA C 53.629 0.000 1 82 283 30 ARG CB C 29.941 0.000 1 83 283 30 ARG N N 121.291 0.010 1 84 285 32 LEU H H 8.282 0.001 1 85 285 32 LEU CA C 54.849 0.010 1 86 285 32 LEU CB C 42.119 0.001 1 87 285 32 LEU N N 122.494 0.019 1 88 286 33 SER H H 8.167 0.000 1 89 286 33 SER CA C 56.090 0.000 1 90 286 33 SER CB C 63.020 0.000 1 91 286 33 SER N N 117.958 0.012 1 92 288 35 LYS H H 8.269 0.001 1 93 288 35 LYS CA C 53.999 0.000 1 94 288 35 LYS CB C 32.148 0.000 1 95 288 35 LYS N N 123.077 0.042 1 96 290 37 SER H H 8.324 0.001 1 97 290 37 SER CA C 58.114 0.001 1 98 290 37 SER CB C 63.627 0.000 1 99 290 37 SER N N 116.536 0.007 1 100 291 38 SER H H 8.207 0.001 1 101 291 38 SER CA C 56.138 0.000 1 102 291 38 SER CB C 63.119 0.000 1 103 291 38 SER N N 118.442 0.017 1 104 293 40 GLY H H 8.339 0.002 1 105 293 40 GLY CA C 45.022 0.006 1 106 293 40 GLY N N 109.055 0.022 1 107 294 41 SER H H 7.939 0.001 1 108 294 41 SER CA C 58.141 0.001 1 109 294 41 SER CB C 63.682 0.009 1 110 294 41 SER N N 115.502 0.011 1 111 295 42 VAL H H 8.003 0.001 1 112 295 42 VAL CA C 62.155 0.016 1 113 295 42 VAL CB C 32.421 0.071 1 114 295 42 VAL N N 121.875 0.033 1 115 296 43 LEU H H 8.081 0.001 1 116 296 43 LEU CA C 54.701 0.010 1 117 296 43 LEU CB C 42.116 0.003 1 118 296 43 LEU N N 125.771 0.016 1 119 297 44 ALA H H 8.062 0.003 1 120 297 44 ALA CA C 52.018 0.031 1 121 297 44 ALA CB C 18.991 0.014 1 122 297 44 ALA N N 125.196 0.014 1 123 298 45 ARG H H 8.117 0.001 1 124 298 45 ARG CA C 53.578 0.000 1 125 298 45 ARG CB C 29.972 0.000 1 126 298 45 ARG N N 121.574 0.009 1 127 300 47 SER H H 8.300 0.003 1 128 300 47 SER CA C 58.163 0.001 1 129 300 47 SER CB C 63.557 0.001 1 130 300 47 SER N N 116.444 0.010 1 131 301 48 VAL H H 8.004 0.002 1 132 301 48 VAL CA C 61.894 0.001 1 133 301 48 VAL CB C 32.657 0.001 1 134 301 48 VAL N N 122.004 0.018 1 135 302 49 ILE H H 8.099 0.001 1 136 302 49 ILE CA C 60.602 0.029 1 137 302 49 ILE CB C 38.226 0.001 1 138 302 49 ILE N N 125.044 0.012 1 139 303 50 CYS H H 8.301 0.001 1 140 303 50 CYS CA C 58.120 0.000 1 141 303 50 CYS CB C 27.832 0.000 1 142 303 50 CYS N N 124.570 0.011 1 143 305 52 THR H H 8.034 0.004 1 144 305 52 THR CA C 61.587 0.000 1 145 305 52 THR CB C 69.585 0.000 1 146 305 52 THR N N 115.948 0.004 1 147 306 53 THR H H 8.110 0.003 1 148 306 53 THR CA C 61.764 0.004 1 149 306 53 THR CB C 69.641 0.002 1 150 306 53 THR N N 117.489 0.011 1 151 307 54 VAL H H 8.134 0.001 1 152 307 54 VAL CA C 62.138 0.000 1 153 307 54 VAL CB C 32.503 0.019 1 154 307 54 VAL N N 123.335 0.012 1 155 308 55 THR H H 8.089 0.000 1 156 308 55 THR CA C 61.821 0.062 1 157 308 55 THR CB C 69.542 0.015 1 158 308 55 THR N N 119.153 0.019 1 159 309 56 ALA H H 8.185 0.000 1 160 309 56 ALA CA C 52.107 0.027 1 161 309 56 ALA CB C 19.007 0.026 1 162 309 56 ALA N N 127.012 0.017 1 163 310 57 LEU H H 8.066 0.001 1 164 310 57 LEU CA C 54.998 0.039 1 165 310 57 LEU CB C 41.995 0.025 1 166 310 57 LEU N N 121.815 0.001 1 167 311 58 LYS H H 8.077 0.001 1 168 311 58 LYS CA C 56.141 0.024 1 169 311 58 LYS CB C 32.886 0.012 1 170 311 58 LYS N N 121.367 0.011 1 171 312 59 ASP H H 8.110 0.001 1 172 312 59 ASP CA C 54.161 0.000 1 173 312 59 ASP CB C 40.882 0.011 1 174 312 59 ASP N N 120.892 0.015 1 175 313 60 VAL H H 7.852 0.001 1 176 313 60 VAL CA C 59.810 0.000 1 177 313 60 VAL CB C 32.424 0.000 1 178 313 60 VAL N N 121.600 0.009 1 179 314 61 PRO CA C 62.985 0.000 1 180 315 62 PHE H H 8.153 0.001 1 181 315 62 PHE CA C 58.114 0.014 1 182 315 62 PHE CB C 39.226 0.011 1 183 315 62 PHE N N 120.717 0.014 1 184 316 63 SER H H 7.890 0.000 1 185 316 63 SER CA C 57.743 0.000 1 186 316 63 SER CB C 63.695 0.005 1 187 316 63 SER N N 117.030 0.010 1 188 317 64 LEU H H 8.080 0.002 1 189 317 64 LEU CA C 55.153 0.020 1 190 317 64 LEU CB C 42.095 0.021 1 191 317 64 LEU N N 123.997 0.011 1 192 318 65 CYS H H 8.092 0.001 1 193 318 65 CYS CA C 58.545 0.027 1 194 318 65 CYS CB C 27.563 0.019 1 195 318 65 CYS N N 119.527 0.009 1 196 319 66 GLN H H 8.255 0.001 1 197 319 66 GLN CA C 55.709 0.015 1 198 319 66 GLN CB C 29.287 0.003 1 199 319 66 GLN N N 122.611 0.014 1 200 320 67 SER H H 8.178 0.000 1 201 320 67 SER CA C 58.050 0.067 1 202 320 67 SER CB C 63.601 0.038 1 203 320 67 SER N N 117.220 0.012 1 204 321 68 VAL H H 8.024 0.001 1 205 321 68 VAL CA C 62.166 0.006 1 206 321 68 VAL CB C 32.537 0.035 1 207 321 68 VAL N N 121.443 0.018 1 208 322 69 GLY H H 8.294 0.000 1 209 322 69 GLY CA C 44.965 0.004 1 210 322 69 GLY N N 112.354 0.004 1 211 323 70 VAL H H 7.907 0.000 1 212 323 70 VAL CA C 62.209 0.018 1 213 323 70 VAL CB C 32.374 0.013 1 214 323 70 VAL N N 119.053 0.004 1 215 324 71 GLY H H 8.414 0.001 1 216 324 71 GLY CA C 45.065 0.007 1 217 324 71 GLY N N 112.493 0.007 1 218 325 72 GLN H H 8.092 0.001 1 219 325 72 GLN CA C 55.406 0.028 1 220 325 72 GLN CB C 29.385 0.011 1 221 325 72 GLN N N 119.498 0.015 1 222 326 73 ASN H H 8.424 0.001 1 223 326 73 ASN CA C 53.226 0.003 1 224 326 73 ASN CB C 38.535 0.015 1 225 326 73 ASN N N 119.966 0.034 1 226 327 74 THR H H 8.021 0.000 1 227 327 74 THR CA C 61.798 0.036 1 228 327 74 THR CB C 69.370 0.003 1 229 327 74 THR N N 113.974 0.006 1 230 328 75 ASP H H 8.221 0.002 1 231 328 75 ASP CA C 54.385 0.002 1 232 328 75 ASP CB C 40.681 0.018 1 233 328 75 ASP N N 122.816 0.039 1 234 329 76 ILE H H 7.880 0.000 1 235 329 76 ILE CA C 61.423 0.009 1 236 329 76 ILE CB C 38.300 0.015 1 237 329 76 ILE N N 120.696 0.012 1 238 330 77 GLN H H 8.216 0.000 1 239 330 77 GLN CA C 56.040 0.001 1 240 330 77 GLN CB C 28.963 0.002 1 241 330 77 GLN N N 123.334 0.022 1 242 331 78 GLN H H 8.169 0.001 1 243 331 78 GLN CA C 55.883 0.017 1 244 331 78 GLN CB C 29.025 0.007 1 245 331 78 GLN N N 121.341 0.002 1 246 332 79 ILE H H 7.986 0.001 1 247 332 79 ILE CA C 61.294 0.020 1 248 332 79 ILE CB C 38.408 0.011 1 249 332 79 ILE N N 122.094 0.008 1 250 333 80 ALA H H 8.149 0.001 1 251 333 80 ALA CA C 52.395 0.008 1 252 333 80 ALA CB C 18.846 0.004 1 253 333 80 ALA N N 127.549 0.010 1 254 334 81 ALA H H 8.024 0.001 1 255 334 81 ALA CA C 52.345 0.001 1 256 334 81 ALA CB C 18.894 0.006 1 257 334 81 ALA N N 123.107 0.007 1 258 335 82 LYS H H 8.022 0.000 1 259 335 82 LYS CA C 56.125 0.000 1 260 335 82 LYS CB C 32.709 0.030 1 261 335 82 LYS N N 120.057 0.016 1 262 336 83 ASN H H 8.132 0.001 1 263 336 83 ASN CA C 52.830 0.012 1 264 336 83 ASN CB C 38.716 0.024 1 265 336 83 ASN N N 119.146 0.010 1 266 337 84 PHE H H 8.049 0.001 1 267 337 84 PHE CA C 57.796 0.016 1 268 337 84 PHE CB C 39.307 0.035 1 269 337 84 PHE N N 120.718 0.009 1 270 338 85 THR H H 7.930 0.001 1 271 338 85 THR CA C 61.823 0.043 1 272 338 85 THR CB C 69.704 0.009 1 273 338 85 THR N N 115.699 0.000 1 274 339 86 ASP H H 8.137 0.001 1 275 339 86 ASP CA C 54.034 0.014 1 276 339 86 ASP CB C 40.811 0.008 1 277 339 86 ASP N N 123.011 0.014 1 278 340 87 THR H H 8.086 0.000 1 279 340 87 THR CA C 62.232 0.000 1 280 340 87 THR CB C 69.067 0.002 1 281 340 87 THR N N 115.362 0.014 1 282 341 88 SER H H 8.230 0.001 1 283 341 88 SER CA C 59.258 0.026 1 284 341 88 SER CB C 63.345 0.012 1 285 341 88 SER N N 118.279 0.007 1 286 342 89 LEU H H 7.738 0.001 1 287 342 89 LEU CA C 54.842 0.001 1 288 342 89 LEU CB C 41.829 0.008 1 289 342 89 LEU N N 122.635 0.009 1 290 343 90 MET H H 7.794 0.001 1 291 343 90 MET CA C 55.172 0.000 1 292 343 90 MET CB C 32.965 0.010 1 293 343 90 MET N N 119.834 0.010 1 294 344 91 TYR H H 7.957 0.000 1 295 344 91 TYR CA C 55.235 0.000 1 296 344 91 TYR CB C 38.002 0.000 1 297 344 91 TYR N N 121.089 0.033 1 298 346 93 GLU H H 8.361 0.000 1 299 346 93 GLU CA C 56.129 0.005 1 300 346 93 GLU CB C 30.415 0.008 1 301 346 93 GLU N N 121.327 0.001 1 302 347 94 ASP H H 7.821 0.001 1 303 347 94 ASP CA C 55.727 0.000 1 304 347 94 ASP CB C 41.905 0.000 1 305 347 94 ASP N N 126.637 0.007 1 stop_ save_