data_nef_c16510_2ke1 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 1XWH BMRB 6374 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 11 CYS SG 3 1 ZN ZN 1 14 CYS SG 3 1 ZN ZN 1 23 CYS SG 3 2 ZN ZN 1 26 CYS SG 3 2 ZN ZN 1 31 HIS ND1 3 1 ZN ZN 1 34 CYS SG 3 1 ZN ZN 1 49 CYS SG 3 2 ZN ZN 1 52 CYS SG 3 2 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 289 GLY start . false 2 A 290 ALA middle . . 3 A 291 MET middle . . 4 A 292 ALA middle . . 5 A 293 GLN middle . . 6 A 294 LYS middle . . 7 A 295 ASN middle . . 8 A 296 GLU middle . . 9 A 297 ASP middle . . 10 A 298 GLU middle . . 11 A 299 CYS middle -HG . 12 A 300 ALA middle . . 13 A 301 VAL middle . . 14 A 302 CYS middle -HG . 15 A 303 ARG middle . . 16 A 304 ASP middle . . 17 A 305 GLY middle . false 18 A 306 GLY middle . false 19 A 307 GLU middle . . 20 A 308 LEU middle . . 21 A 309 ILE middle . . 22 A 310 CYS middle . . 23 A 311 CYS middle -HG . 24 A 312 ASP middle . . 25 A 313 GLY middle . false 26 A 314 CYS middle -HG . 27 A 315 PRO middle . false 28 A 316 ARG middle . . 29 A 317 ALA middle . . 30 A 318 PHE middle . . 31 A 319 HIS middle -HD1 . 32 A 320 LEU middle . . 33 A 321 ALA middle . . 34 A 322 CYS middle -HG . 35 A 323 LEU middle . . 36 A 324 SER middle . . 37 A 325 PRO middle . true 38 A 326 PRO middle . false 39 A 327 LEU middle . . 40 A 328 ARG middle . . 41 A 329 GLU middle . . 42 A 330 ILE middle . . 43 A 331 PRO middle . false 44 A 332 SER middle . . 45 A 333 GLY middle . false 46 A 334 THR middle . . 47 A 335 TRP middle . . 48 A 336 ARG middle . . 49 A 337 CYS middle -HG . 50 A 338 SER middle . . 51 A 339 SER middle . . 52 A 340 CYS middle -HG . 53 A 341 LEU middle . . 54 A 342 GLN middle . . 55 A 343 ALA middle . . 56 A 344 THR middle . . 57 A 345 VAL middle . . 58 A 346 GLN middle . . 59 A 347 GLU middle . . 60 A 348 VAL middle . . 61 A 349 GLN middle . . 62 A 350 PRO middle . false 63 A 351 ARG middle . . 64 A 352 ALA middle . . 65 A 353 GLU middle . . 66 A 354 GLU end . . 67 B 1 ALA start . . 68 B 2 ARG middle . . 69 B 3 THR middle . . 70 B 4 LYS middle . . 71 B 5 GLN middle . . 72 B 6 THR middle . . 73 B 7 ALA middle . . 74 B 8 ARG middle . . 75 B 9 LYS middle . . 76 B 10 SER end . . 77 C 1 ZN . . . 78 C 2 ZN . . . stop_ save_ save_aire-phd1_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode aire-phd1_chem_shift_list loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 290 ALA HA H 1 4.271 0.022 A 290 ALA HB% H 1 1.341 0.007 A 290 ALA C C 13 177.708 0.000 A 290 ALA CA C 13 52.378 0.000 A 290 ALA CB C 13 19.125 0.000 A 291 MET H H 1 8.425 0.053 A 291 MET HA H 1 4.405 0.009 A 291 MET HBy H 1 2.008 0.020 A 291 MET HBx H 1 2.003 0.017 A 291 MET HGy H 1 2.583 0.010 A 291 MET HGx H 1 2.534 0.000 A 291 MET C C 13 175.822 0.000 A 291 MET CA C 13 55.473 0.090 A 291 MET CB C 13 32.848 0.840 A 291 MET CG C 13 32.399 0.000 A 291 MET N N 15 120.166 0.153 A 292 ALA H H 1 8.326 0.002 A 292 ALA HA H 1 4.242 0.014 A 292 ALA HB% H 1 1.327 0.015 A 292 ALA C C 13 177.322 0.000 A 292 ALA CA C 13 52.378 0.000 A 292 ALA CB C 13 19.125 0.000 A 292 ALA N N 15 125.892 0.093 A 293 GLN H H 1 8.222 0.017 A 293 GLN HA H 1 4.153 0.018 A 293 GLN HBy H 1 1.940 0.016 A 293 GLN HBx H 1 1.934 0.012 A 293 GLN HE21 H 1 7.386 0.007 A 293 GLN HE22 H 1 6.731 0.007 A 293 GLN HGy H 1 2.256 0.014 A 293 GLN HGx H 1 2.234 0.017 A 293 GLN C C 13 175.177 0.000 A 293 GLN CA C 13 55.698 0.217 A 293 GLN CB C 13 29.275 0.000 A 293 GLN CG C 13 33.601 0.075 A 293 GLN N N 15 120.230 0.087 A 293 GLN NE2 N 15 112.499 0.048 A 294 LYS H H 1 8.259 0.022 A 294 LYS HA H 1 4.357 0.013 A 294 LYS HBy H 1 1.730 0.027 A 294 LYS HBx H 1 1.669 0.021 A 294 LYS HDx H 1 1.628 0.024 A 294 LYS HDy H 1 1.629 0.022 A 294 LYS HEy H 1 2.941 0.012 A 294 LYS HEx H 1 2.939 0.011 A 294 LYS HGy H 1 1.357 0.016 A 294 LYS HGx H 1 1.351 0.019 A 294 LYS C C 13 175.907 0.000 A 294 LYS CA C 13 56.152 0.077 A 294 LYS CB C 13 33.289 0.162 A 294 LYS CD C 13 29.144 0.184 A 294 LYS CE C 13 42.028 0.074 A 294 LYS CG C 13 24.545 0.071 A 294 LYS N N 15 123.638 0.076 A 295 ASN H H 1 8.190 0.005 A 295 ASN HA H 1 5.275 0.013 A 295 ASN HBy H 1 2.557 0.011 A 295 ASN HBx H 1 2.344 0.020 A 295 ASN HD21 H 1 7.513 0.008 A 295 ASN HD22 H 1 6.865 0.001 A 295 ASN C C 13 175.377 0.000 A 295 ASN CA C 13 53.710 0.093 A 295 ASN CB C 13 42.980 0.078 A 295 ASN N N 15 118.641 0.132 A 295 ASN ND2 N 15 112.783 0.080 A 296 GLU H H 1 9.042 0.009 A 296 GLU HA H 1 3.989 0.008 A 296 GLU HBy H 1 2.112 0.028 A 296 GLU HBx H 1 2.078 0.013 A 296 GLU HGy H 1 2.371 0.011 A 296 GLU HGx H 1 2.296 0.049 A 296 GLU C C 13 175.587 0.000 A 296 GLU CA C 13 56.861 0.116 A 296 GLU CB C 13 31.142 0.060 A 296 GLU CG C 13 37.455 0.052 A 296 GLU N N 15 119.788 0.063 A 297 ASP H H 1 8.461 0.008 A 297 ASP HA H 1 4.490 0.018 A 297 ASP HBy H 1 2.907 0.012 A 297 ASP HBx H 1 2.377 0.008 A 297 ASP C C 13 174.190 0.000 A 297 ASP CA C 13 54.356 0.059 A 297 ASP CB C 13 41.879 0.105 A 297 ASP N N 15 116.364 0.090 A 298 GLU H H 1 6.969 0.012 A 298 GLU HA H 1 4.084 0.017 A 298 GLU HBy H 1 1.454 0.026 A 298 GLU HBx H 1 1.412 0.018 A 298 GLU HGy H 1 1.902 0.007 A 298 GLU HGx H 1 1.718 0.006 A 298 GLU C C 13 171.930 0.000 A 298 GLU CA C 13 53.633 0.142 A 298 GLU CB C 13 32.621 0.125 A 298 GLU CG C 13 34.965 0.200 A 298 GLU N N 15 116.028 0.079 A 299 CYS H H 1 8.197 0.016 A 299 CYS HA H 1 4.061 0.027 A 299 CYS HBy H 1 3.321 0.013 A 299 CYS HBx H 1 1.936 0.017 A 299 CYS C C 13 177.575 0.000 A 299 CYS CA C 13 57.402 0.072 A 299 CYS CB C 13 31.391 0.096 A 299 CYS N N 15 122.053 0.083 A 300 ALA H H 1 8.872 0.009 A 300 ALA HA H 1 3.956 0.030 A 300 ALA HB% H 1 1.254 0.027 A 300 ALA C C 13 178.193 0.000 A 300 ALA CA C 13 54.626 0.077 A 300 ALA CB C 13 18.814 0.087 A 300 ALA N N 15 132.681 0.066 A 301 VAL H H 1 8.960 0.016 A 301 VAL HA H 1 4.012 0.022 A 301 VAL HB H 1 2.321 0.011 A 301 VAL HGx% H 1 1.096 0.012 A 301 VAL HGy% H 1 1.305 0.011 A 301 VAL C C 13 176.920 0.000 A 301 VAL CA C 13 65.282 0.097 A 301 VAL CB C 13 33.256 0.068 A 301 VAL CGx C 13 20.457 0.106 A 301 VAL CGy C 13 21.444 0.106 A 301 VAL N N 15 119.548 0.164 A 302 CYS H H 1 8.009 0.010 A 302 CYS HA H 1 4.886 0.008 A 302 CYS HBy H 1 3.303 0.008 A 302 CYS HBx H 1 2.905 0.014 A 302 CYS C C 13 175.968 0.000 A 302 CYS CA C 13 59.182 0.142 A 302 CYS CB C 13 31.116 0.072 A 302 CYS N N 15 117.099 0.067 A 303 ARG H H 1 8.056 0.009 A 303 ARG HA H 1 3.993 0.015 A 303 ARG HBy H 1 2.111 0.020 A 303 ARG HBx H 1 1.975 0.014 A 303 ARG HD2 H 1 3.097 0.013 A 303 ARG HD3 H 1 3.097 0.013 A 303 ARG HGy H 1 1.577 0.014 A 303 ARG HGx H 1 1.374 0.015 A 303 ARG C C 13 176.054 0.000 A 303 ARG CA C 13 56.829 0.089 A 303 ARG CB C 13 25.740 0.079 A 303 ARG CD C 13 42.328 0.091 A 303 ARG CG C 13 26.440 0.087 A 303 ARG N N 15 117.025 0.109 A 304 ASP H H 1 8.156 0.005 A 304 ASP HA H 1 5.285 0.009 A 304 ASP HBy H 1 2.921 0.012 A 304 ASP HBx H 1 2.739 0.011 A 304 ASP C C 13 177.426 0.000 A 304 ASP CA C 13 51.763 0.082 A 304 ASP CB C 13 44.221 0.154 A 304 ASP N N 15 118.971 0.105 A 305 GLY H H 1 9.088 0.009 A 305 GLY HAy H 1 4.115 0.017 A 305 GLY HAx H 1 3.878 0.016 A 305 GLY C C 13 172.564 0.000 A 305 GLY CA C 13 43.946 0.076 A 305 GLY N N 15 108.736 0.077 A 306 GLY H H 1 7.730 0.011 A 306 GLY HAy H 1 4.575 0.011 A 306 GLY HAx H 1 3.726 0.025 A 306 GLY C C 13 171.854 0.000 A 306 GLY CA C 13 43.966 0.076 A 306 GLY N N 15 110.312 0.086 A 307 GLU H H 1 8.757 0.018 A 307 GLU HA H 1 4.618 0.018 A 307 GLU HBy H 1 2.083 0.025 A 307 GLU HBx H 1 2.034 0.011 A 307 GLU HGy H 1 2.065 0.028 A 307 GLU HGx H 1 1.975 0.044 A 307 GLU C C 13 175.078 0.000 A 307 GLU CA C 13 56.441 0.128 A 307 GLU CB C 13 29.887 0.087 A 307 GLU CG C 13 36.445 0.071 A 307 GLU N N 15 125.258 0.064 A 308 LEU H H 1 8.829 0.009 A 308 LEU HA H 1 4.848 0.018 A 308 LEU HBy H 1 1.236 0.013 A 308 LEU HBx H 1 1.005 0.023 A 308 LEU HDx% H 1 0.191 0.017 A 308 LEU HDy% H 1 -0.208 0.013 A 308 LEU HG H 1 1.254 0.012 A 308 LEU C C 13 176.527 0.000 A 308 LEU CA C 13 52.579 0.160 A 308 LEU CB C 13 44.869 0.088 A 308 LEU CDy C 13 26.092 0.149 A 308 LEU CDx C 13 22.650 0.071 A 308 LEU CG C 13 25.685 0.126 A 308 LEU N N 15 127.072 0.067 A 309 ILE H H 1 9.462 0.011 A 309 ILE HA H 1 4.716 0.016 A 309 ILE HB H 1 1.154 0.015 A 309 ILE HD1% H 1 -0.426 0.010 A 309 ILE HG1y H 1 1.134 0.011 A 309 ILE HG1x H 1 0.619 0.018 A 309 ILE HG2% H 1 0.350 0.015 A 309 ILE C C 13 174.421 0.000 A 309 ILE CA C 13 59.710 0.026 A 309 ILE CB C 13 40.483 0.086 A 309 ILE CD1 C 13 13.907 0.084 A 309 ILE CG1 C 13 28.314 0.087 A 309 ILE CG2 C 13 15.407 0.108 A 309 ILE N N 15 120.110 0.130 A 310 CYS H H 1 8.045 0.008 A 310 CYS HA H 1 4.509 0.009 A 310 CYS HBy H 1 2.661 0.018 A 310 CYS HBx H 1 2.629 0.024 A 310 CYS CA C 13 58.705 0.080 A 310 CYS CB C 13 30.070 0.161 A 310 CYS N N 15 123.296 0.075 A 311 CYS H H 1 8.571 0.009 A 311 CYS HA H 1 4.789 0.014 A 311 CYS HBy H 1 3.790 0.014 A 311 CYS HBx H 1 2.849 0.016 A 311 CYS C C 13 176.360 0.000 A 311 CYS CA C 13 61.680 0.000 A 311 CYS CB C 13 30.195 0.081 A 311 CYS N N 15 125.883 0.045 A 312 ASP H H 1 9.121 0.012 A 312 ASP HA H 1 4.950 0.012 A 312 ASP HBy H 1 2.879 0.022 A 312 ASP HBx H 1 2.565 0.019 A 312 ASP C C 13 176.486 0.000 A 312 ASP CA C 13 56.382 0.237 A 312 ASP CB C 13 41.738 0.075 A 312 ASP N N 15 125.234 0.081 A 313 GLY H H 1 10.880 0.005 A 313 GLY HAy H 1 4.353 0.007 A 313 GLY HAx H 1 3.965 0.010 A 313 GLY C C 13 172.117 0.000 A 313 GLY CA C 13 45.559 0.070 A 313 GLY N N 15 116.622 0.043 A 314 CYS H H 1 8.089 0.006 A 314 CYS HA H 1 4.879 0.005 A 314 CYS HBy H 1 3.136 0.012 A 314 CYS HBx H 1 2.642 0.015 A 314 CYS CA C 13 57.740 0.078 A 314 CYS CB C 13 30.472 0.082 A 314 CYS N N 15 124.926 0.109 A 315 PRO HA H 1 4.743 0.005 A 315 PRO HBy H 1 2.411 0.030 A 315 PRO HBx H 1 1.934 0.013 A 315 PRO HDy H 1 3.725 0.009 A 315 PRO HDx H 1 3.471 0.019 A 315 PRO HG2 H 1 1.908 0.000 A 315 PRO HG3 H 1 1.908 0.000 A 315 PRO C C 13 177.233 0.000 A 315 PRO CA C 13 63.900 0.000 A 315 PRO CB C 13 32.950 0.071 A 315 PRO CD C 13 50.843 0.092 A 316 ARG H H 1 8.965 0.021 A 316 ARG HA H 1 4.013 0.047 A 316 ARG HBy H 1 1.864 0.017 A 316 ARG HBx H 1 1.416 0.019 A 316 ARG HDy H 1 3.476 0.012 A 316 ARG HDx H 1 3.108 0.016 A 316 ARG HGy H 1 2.065 0.014 A 316 ARG HGx H 1 1.637 0.013 A 316 ARG C C 13 174.497 0.000 A 316 ARG CA C 13 58.724 0.167 A 316 ARG CB C 13 32.360 0.075 A 316 ARG CD C 13 44.543 0.075 A 316 ARG CG C 13 29.888 0.132 A 316 ARG N N 15 121.163 0.131 A 317 ALA H H 1 8.895 0.027 A 317 ALA HA H 1 5.304 0.016 A 317 ALA HB% H 1 1.044 0.018 A 317 ALA C C 13 175.274 0.000 A 317 ALA CA C 13 50.537 0.072 A 317 ALA CB C 13 23.578 0.075 A 317 ALA N N 15 124.292 0.072 A 318 PHE H H 1 8.819 0.018 A 318 PHE HA H 1 5.646 0.018 A 318 PHE HBy H 1 3.056 0.014 A 318 PHE HBx H 1 2.371 0.015 A 318 PHE HDx H 1 7.235 0.025 A 318 PHE HDy H 1 7.235 0.025 A 318 PHE HEx H 1 7.247 0.031 A 318 PHE HEy H 1 7.247 0.031 A 318 PHE HZ H 1 7.356 0.033 A 318 PHE C C 13 176.756 0.000 A 318 PHE CA C 13 56.810 0.097 A 318 PHE CB C 13 45.183 0.092 A 318 PHE CDx C 13 132.482 0.094 A 318 PHE CDy C 13 132.482 0.094 A 318 PHE CZ C 13 129.781 0.165 A 318 PHE N N 15 113.433 0.085 A 319 HIS H H 1 8.833 0.008 A 319 HIS HA H 1 4.934 0.012 A 319 HIS HBy H 1 3.623 0.033 A 319 HIS HBx H 1 3.550 0.025 A 319 HIS HD2 H 1 7.405 0.024 A 319 HIS HE1 H 1 7.297 0.030 A 319 HIS HE2 H 1 11.328 0.021 A 319 HIS C C 13 177.655 0.000 A 319 HIS CA C 13 58.388 0.069 A 319 HIS CB C 13 30.518 0.073 A 319 HIS CD2 C 13 118.827 0.117 A 319 HIS CE1 C 13 139.043 0.056 A 319 HIS N N 15 121.205 0.065 A 320 LEU H H 1 9.053 0.010 A 320 LEU HA H 1 3.801 0.021 A 320 LEU HBy H 1 1.793 0.012 A 320 LEU HBx H 1 1.525 0.011 A 320 LEU HDx% H 1 0.604 0.026 A 320 LEU HDy% H 1 0.501 0.015 A 320 LEU HG H 1 1.592 0.026 A 320 LEU C C 13 179.524 0.000 A 320 LEU CA C 13 59.304 0.071 A 320 LEU CB C 13 40.131 0.113 A 320 LEU CDy C 13 24.792 0.131 A 320 LEU CDx C 13 23.277 0.106 A 320 LEU CG C 13 28.093 0.053 A 320 LEU N N 15 124.717 0.082 A 321 ALA H H 1 8.323 0.007 A 321 ALA HA H 1 4.303 0.010 A 321 ALA HB% H 1 1.446 0.011 A 321 ALA C C 13 178.430 0.000 A 321 ALA CA C 13 52.991 0.320 A 321 ALA CB C 13 18.685 0.113 A 321 ALA N N 15 114.356 0.080 A 322 CYS H H 1 7.565 0.008 A 322 CYS HA H 1 4.354 0.017 A 322 CYS HBy H 1 3.296 0.011 A 322 CYS HBx H 1 3.044 0.020 A 322 CYS C C 13 175.111 0.000 A 322 CYS CA C 13 61.308 0.075 A 322 CYS CB C 13 30.803 0.071 A 322 CYS N N 15 115.498 0.050 A 323 LEU H H 1 6.725 0.029 A 323 LEU HA H 1 4.068 0.016 A 323 LEU HBy H 1 1.825 0.024 A 323 LEU HBx H 1 1.369 0.017 A 323 LEU HDx% H 1 0.744 0.013 A 323 LEU HDy% H 1 0.438 0.016 A 323 LEU HG H 1 1.803 0.022 A 323 LEU C C 13 175.050 0.000 A 323 LEU CA C 13 55.168 0.096 A 323 LEU CB C 13 43.927 0.091 A 323 LEU CDy C 13 26.751 0.092 A 323 LEU CDx C 13 23.550 0.095 A 323 LEU CG C 13 27.006 0.085 A 323 LEU N N 15 120.664 0.065 A 324 SER H H 1 7.941 0.004 A 324 SER HA H 1 4.737 0.007 A 324 SER HBy H 1 3.737 0.009 A 324 SER HBx H 1 3.609 0.005 A 324 SER CA C 13 54.265 0.053 A 324 SER CB C 13 64.620 0.070 A 324 SER N N 15 113.346 0.083 A 325 PRO HA H 1 5.056 0.020 A 325 PRO HBy H 1 2.387 0.013 A 325 PRO HBx H 1 2.026 0.014 A 325 PRO HDy H 1 3.613 0.013 A 325 PRO HDx H 1 3.446 0.008 A 325 PRO HGy H 1 1.907 0.007 A 325 PRO HGx H 1 1.812 0.002 A 325 PRO CA C 13 62.479 0.106 A 325 PRO CB C 13 33.122 0.088 A 325 PRO CD C 13 50.125 0.194 A 325 PRO CG C 13 24.785 0.118 A 326 PRO HA H 1 4.283 0.020 A 326 PRO HBy H 1 2.238 0.012 A 326 PRO HBx H 1 1.733 0.039 A 326 PRO HDy H 1 3.746 0.023 A 326 PRO HDx H 1 3.646 0.054 A 326 PRO HG2 H 1 2.069 0.019 A 326 PRO HG3 H 1 2.069 0.019 A 326 PRO C C 13 177.339 0.000 A 326 PRO CA C 13 63.072 0.147 A 326 PRO CB C 13 32.388 0.063 A 326 PRO CD C 13 50.099 0.127 A 326 PRO CG C 13 27.699 0.074 A 327 LEU H H 1 7.307 0.010 A 327 LEU HA H 1 4.543 0.007 A 327 LEU HBy H 1 1.457 0.016 A 327 LEU HBx H 1 1.456 0.015 A 327 LEU HDx% H 1 0.801 0.013 A 327 LEU HDy% H 1 0.644 0.005 A 327 LEU HG H 1 1.684 0.016 A 327 LEU C C 13 176.608 0.000 A 327 LEU CA C 13 53.624 0.091 A 327 LEU CB C 13 44.574 0.074 A 327 LEU CDy C 13 25.074 0.000 A 327 LEU CDx C 13 22.764 0.142 A 327 LEU CG C 13 27.010 0.115 A 327 LEU N N 15 120.923 0.079 A 328 ARG H H 1 8.667 0.006 A 328 ARG HA H 1 4.246 0.013 A 328 ARG HB2 H 1 1.872 0.012 A 328 ARG HB3 H 1 1.872 0.012 A 328 ARG HD2 H 1 3.149 0.011 A 328 ARG HD3 H 1 3.149 0.011 A 328 ARG HG2 H 1 1.654 0.029 A 328 ARG HG3 H 1 1.654 0.029 A 328 ARG C C 13 175.562 0.000 A 328 ARG CA C 13 56.218 0.004 A 328 ARG CD C 13 42.920 0.000 A 328 ARG N N 15 118.984 0.096 A 329 GLU H H 1 7.333 0.008 A 329 GLU HA H 1 4.434 0.021 A 329 GLU HBy H 1 1.917 0.017 A 329 GLU HBx H 1 1.734 0.010 A 329 GLU HG2 H 1 1.999 0.000 A 329 GLU HG3 H 1 1.999 0.000 A 329 GLU C C 13 174.600 0.000 A 329 GLU CA C 13 53.653 0.075 A 329 GLU CB C 13 32.755 0.024 A 329 GLU N N 15 115.519 0.081 A 330 ILE H H 1 8.676 0.009 A 330 ILE HA H 1 3.795 0.011 A 330 ILE HB H 1 1.692 0.020 A 330 ILE HD1% H 1 0.737 0.010 A 330 ILE HG1y H 1 1.526 0.016 A 330 ILE HG1x H 1 0.870 0.014 A 330 ILE HG2% H 1 0.745 0.008 A 330 ILE CA C 13 59.297 0.073 A 330 ILE CB C 13 38.204 0.240 A 330 ILE CD1 C 13 13.304 0.066 A 330 ILE CG1 C 13 28.106 0.100 A 330 ILE CG2 C 13 17.653 0.072 A 330 ILE N N 15 124.004 0.093 A 331 PRO HA H 1 4.462 0.021 A 331 PRO HBy H 1 2.344 0.010 A 331 PRO HBx H 1 1.917 0.015 A 331 PRO HDx H 1 3.068 0.011 A 331 PRO HDy H 1 3.797 0.017 A 331 PRO HGy H 1 1.820 0.028 A 331 PRO HGx H 1 1.748 0.017 A 331 PRO C C 13 176.040 0.000 A 331 PRO CA C 13 62.781 0.091 A 331 PRO CB C 13 32.522 0.155 A 331 PRO CD C 13 50.844 0.088 A 331 PRO CG C 13 27.333 0.134 A 332 SER H H 1 8.565 0.014 A 332 SER HA H 1 4.321 0.007 A 332 SER HB2 H 1 3.854 0.002 A 332 SER HB3 H 1 3.854 0.002 A 332 SER C C 13 175.904 0.000 A 332 SER CA C 13 58.677 0.071 A 332 SER CB C 13 63.973 0.083 A 332 SER N N 15 116.694 0.130 A 333 GLY H H 1 8.522 0.007 A 333 GLY HAy H 1 4.066 0.012 A 333 GLY HAx H 1 4.060 0.013 A 333 GLY C C 13 173.825 0.000 A 333 GLY CA C 13 44.637 0.000 A 333 GLY N N 15 110.742 0.023 A 334 THR H H 1 8.093 0.012 A 334 THR HA H 1 4.342 0.011 A 334 THR HB H 1 4.109 0.016 A 334 THR HG2% H 1 1.197 0.010 A 334 THR C C 13 173.821 0.000 A 334 THR CA C 13 62.624 0.198 A 334 THR CB C 13 69.625 0.077 A 334 THR CG2 C 13 20.821 0.096 A 334 THR N N 15 114.167 0.113 A 335 TRP H H 1 8.940 0.006 A 335 TRP HA H 1 4.567 0.010 A 335 TRP HBy H 1 3.324 0.020 A 335 TRP HBx H 1 2.871 0.012 A 335 TRP HD1 H 1 7.222 0.016 A 335 TRP HE1 H 1 9.785 0.013 A 335 TRP HE3 H 1 7.491 0.019 A 335 TRP HH2 H 1 6.314 0.018 A 335 TRP HZ2 H 1 7.096 0.010 A 335 TRP HZ3 H 1 6.674 0.027 A 335 TRP C C 13 172.739 0.000 A 335 TRP CA C 13 59.611 0.073 A 335 TRP CB C 13 32.056 0.144 A 335 TRP CD1 C 13 126.159 0.136 A 335 TRP CE3 C 13 121.395 0.120 A 335 TRP CH2 C 13 123.560 0.173 A 335 TRP CZ2 C 13 114.387 0.070 A 335 TRP CZ3 C 13 119.482 0.146 A 335 TRP N N 15 128.718 0.111 A 335 TRP NE1 N 15 128.240 0.023 A 336 ARG H H 1 6.830 0.021 A 336 ARG HA H 1 5.174 0.024 A 336 ARG HBy H 1 1.261 0.020 A 336 ARG HBx H 1 1.096 0.009 A 336 ARG HDy H 1 2.888 0.019 A 336 ARG HDx H 1 2.852 0.018 A 336 ARG HGy H 1 1.449 0.015 A 336 ARG HGx H 1 1.242 0.023 A 336 ARG C C 13 173.514 0.000 A 336 ARG CA C 13 52.719 0.059 A 336 ARG CB C 13 34.814 0.096 A 336 ARG CD C 13 43.612 0.073 A 336 ARG CG C 13 28.297 0.076 A 336 ARG N N 15 124.292 0.079 A 337 CYS H H 1 9.123 0.013 A 337 CYS HA H 1 3.652 0.014 A 337 CYS HBy H 1 3.178 0.017 A 337 CYS HBx H 1 2.665 0.013 A 337 CYS C C 13 174.624 0.000 A 337 CYS CA C 13 57.420 0.073 A 337 CYS CB C 13 33.275 0.129 A 337 CYS N N 15 124.327 0.052 A 338 SER H H 1 8.187 0.012 A 338 SER HA H 1 3.905 0.018 A 338 SER HB2 H 1 3.878 0.000 A 338 SER HB3 H 1 3.878 0.000 A 338 SER C C 13 176.922 0.000 A 338 SER CA C 13 61.757 0.087 A 338 SER N N 15 111.845 0.100 A 339 SER H H 1 8.208 0.011 A 339 SER HA H 1 4.288 0.014 A 339 SER HBy H 1 3.938 0.026 A 339 SER HBx H 1 3.920 0.020 A 339 SER C C 13 177.027 0.000 A 339 SER CA C 13 62.122 0.071 A 339 SER CB C 13 63.112 0.000 A 339 SER N N 15 119.087 0.107 A 340 CYS H H 1 8.335 0.008 A 340 CYS HA H 1 3.869 0.014 A 340 CYS HBy H 1 2.817 0.011 A 340 CYS HBx H 1 2.648 0.018 A 340 CYS C C 13 178.037 0.000 A 340 CYS CA C 13 65.241 0.064 A 340 CYS CB C 13 28.614 0.091 A 340 CYS N N 15 125.985 0.122 A 341 LEU H H 1 8.065 0.011 A 341 LEU HA H 1 3.948 0.019 A 341 LEU HBy H 1 1.500 0.014 A 341 LEU HBx H 1 1.429 0.057 A 341 LEU HDx% H 1 0.633 0.012 A 341 LEU HDy% H 1 0.633 0.011 A 341 LEU HG H 1 1.386 0.012 A 341 LEU C C 13 178.450 0.000 A 341 LEU CA C 13 56.766 0.107 A 341 LEU CB C 13 42.085 0.070 A 341 LEU CDy C 13 25.074 0.000 A 341 LEU CDx C 13 23.113 0.079 A 341 LEU CG C 13 26.414 0.074 A 341 LEU N N 15 119.565 0.084 A 342 GLN H H 1 7.637 0.006 A 342 GLN HA H 1 4.123 0.014 A 342 GLN HBy H 1 2.085 0.014 A 342 GLN HBx H 1 2.077 0.020 A 342 GLN HE21 H 1 7.418 0.002 A 342 GLN HE22 H 1 6.801 0.000 A 342 GLN HGy H 1 2.410 0.020 A 342 GLN HGx H 1 2.386 0.020 A 342 GLN C C 13 176.202 0.000 A 342 GLN CA C 13 56.789 0.074 A 342 GLN CB C 13 28.636 0.060 A 342 GLN CG C 13 34.139 0.140 A 342 GLN N N 15 118.355 0.089 A 342 GLN NE2 N 15 112.088 0.020 A 343 ALA H H 1 7.674 0.021 A 343 ALA HA H 1 4.264 0.006 A 343 ALA HB% H 1 1.383 0.009 A 343 ALA C C 13 177.986 0.000 A 343 ALA CB C 13 19.197 0.075 A 343 ALA N N 15 122.512 0.050 A 344 THR H H 1 7.873 0.011 A 344 THR HA H 1 4.240 0.028 A 344 THR HB H 1 4.159 0.015 A 344 THR HG2% H 1 1.153 0.011 A 344 THR C C 13 174.624 0.000 A 344 THR CA C 13 62.472 0.062 A 344 THR CB C 13 70.018 0.018 A 344 THR CG2 C 13 21.367 0.053 A 344 THR N N 15 112.775 0.038 A 345 VAL H H 1 7.997 0.007 A 345 VAL HA H 1 4.042 0.010 A 345 VAL HB H 1 2.030 0.011 A 345 VAL HG1% H 1 0.880 0.010 A 345 VAL HG2% H 1 0.880 0.010 A 345 VAL C C 13 175.968 0.000 A 345 VAL CA C 13 62.410 0.075 A 345 VAL CB C 13 32.704 0.086 A 345 VAL CGx C 13 21.077 0.000 A 345 VAL CGy C 13 21.102 0.035 A 345 VAL N N 15 122.723 0.103 A 346 GLN H H 1 8.355 0.002 A 346 GLN HA H 1 4.275 0.011 A 346 GLN HB2 H 1 1.909 0.000 A 346 GLN HB3 H 1 1.909 0.000 A 346 GLN HE21 H 1 7.502 0.003 A 346 GLN HE22 H 1 6.818 0.002 A 346 GLN HG2 H 1 2.303 0.006 A 346 GLN HG3 H 1 2.303 0.006 A 346 GLN C C 13 175.674 0.000 A 346 GLN CB C 13 29.142 0.000 A 346 GLN CG C 13 33.626 0.071 A 346 GLN N N 15 123.866 0.089 A 346 GLN NE2 N 15 112.594 0.011 A 347 GLU H H 1 8.396 0.001 A 347 GLU HA H 1 4.247 0.020 A 347 GLU HBy H 1 2.191 0.016 A 347 GLU HBx H 1 1.948 0.009 A 347 GLU HGy H 1 2.245 0.016 A 347 GLU HGx H 1 2.186 0.014 A 347 GLU C C 13 176.231 0.000 A 347 GLU CB C 13 29.666 0.000 A 347 GLU CG C 13 36.077 0.113 A 347 GLU N N 15 122.926 0.116 A 348 VAL H H 1 8.239 0.006 A 348 VAL HA H 1 4.038 0.007 A 348 VAL HB H 1 2.004 0.020 A 348 VAL HGx% H 1 0.873 0.015 A 348 VAL HGy% H 1 0.878 0.005 A 348 VAL C C 13 175.873 0.000 A 348 VAL CA C 13 62.410 0.075 A 348 VAL CB C 13 32.726 0.109 A 348 VAL CG1 C 13 21.077 0.000 A 348 VAL CG2 C 13 21.077 0.000 A 348 VAL N N 15 122.042 0.100 A 349 GLN H H 1 8.454 0.006 A 349 GLN HA H 1 4.579 0.018 A 349 GLN HBy H 1 2.020 0.029 A 349 GLN HBx H 1 1.881 0.005 A 349 GLN HGy H 1 2.351 0.007 A 349 GLN HGx H 1 2.308 0.006 A 349 GLN CA C 13 53.272 0.130 A 349 GLN CB C 13 28.885 0.000 A 349 GLN CG C 13 33.601 0.075 A 349 GLN N N 15 125.674 0.094 A 350 PRO HA H 1 4.344 0.037 A 350 PRO HBy H 1 2.244 0.015 A 350 PRO HBx H 1 1.835 0.007 A 350 PRO HDy H 1 3.769 0.035 A 350 PRO HDx H 1 3.621 0.006 A 350 PRO HG2 H 1 1.989 0.026 A 350 PRO HG3 H 1 1.989 0.026 A 350 PRO C C 13 176.601 0.000 A 350 PRO CA C 13 63.127 0.062 A 350 PRO CB C 13 32.228 0.168 A 350 PRO CD C 13 50.122 0.000 A 350 PRO CG C 13 27.492 0.168 A 351 ARG H H 1 8.430 0.002 A 351 ARG HA H 1 4.248 0.013 A 351 ARG HB2 H 1 1.730 0.000 A 351 ARG HB3 H 1 1.730 0.000 A 351 ARG HD2 H 1 3.149 0.011 A 351 ARG HD3 H 1 3.149 0.011 A 351 ARG HG2 H 1 1.620 0.000 A 351 ARG HG3 H 1 1.620 0.000 A 351 ARG C C 13 175.872 0.000 A 351 ARG CA C 13 56.217 0.004 A 351 ARG CD C 13 42.920 0.000 A 351 ARG N N 15 122.042 0.100 A 352 ALA H H 1 8.438 0.003 A 352 ALA HA H 1 4.254 0.003 A 352 ALA HB% H 1 1.341 0.006 A 352 ALA C C 13 177.444 0.000 A 352 ALA CA C 13 52.378 0.000 A 352 ALA CB C 13 19.125 0.000 A 352 ALA N N 15 126.572 0.065 A 353 GLU H H 1 8.399 0.001 A 353 GLU HA H 1 4.246 0.011 A 353 GLU HB2 H 1 1.885 0.015 A 353 GLU HB3 H 1 1.885 0.015 A 353 GLU HG2 H 1 2.049 0.000 A 353 GLU HG3 H 1 2.049 0.000 A 353 GLU C C 13 175.486 0.000 A 353 GLU CA C 13 56.460 0.075 A 353 GLU N N 15 120.660 0.116 A 354 GLU H H 1 7.970 0.003 A 354 GLU HA H 1 4.231 0.000 A 354 GLU N N 15 126.768 0.153 B 1 ALA HA H 1 4.281 0.007 B 1 ALA HB% H 1 1.448 0.014 B 2 ARG H H 1 9.763 0.007 B 2 ARG HA H 1 4.217 0.005 B 2 ARG HBx H 1 1.656 0.013 B 2 ARG HBy H 1 1.763 0.010 B 2 ARG HDx H 1 2.956 0.008 B 2 ARG HDy H 1 2.958 0.009 B 2 ARG HE H 1 7.163 0.012 B 2 ARG HGx H 1 1.455 0.013 B 2 ARG HGy H 1 1.660 0.009 B 3 THR H H 1 8.081 0.004 B 3 THR HA H 1 5.507 0.016 B 3 THR HB H 1 4.062 0.006 B 3 THR HG1 H 1 4.500 0.006 B 3 THR HG2% H 1 0.978 0.013 B 4 LYS H H 1 8.860 0.023 B 4 LYS HA H 1 4.622 0.007 B 4 LYS HB2 H 1 1.620 0.012 B 4 LYS HB3 H 1 1.620 0.012 B 4 LYS HD2 H 1 1.390 0.017 B 4 LYS HD3 H 1 1.390 0.017 B 4 LYS HE2 H 1 2.933 0.015 B 4 LYS HE3 H 1 2.933 0.015 B 4 LYS HG2 H 1 1.499 0.013 B 4 LYS HG3 H 1 1.499 0.013 B 5 GLN H H 1 8.400 0.006 B 5 GLN HA H 1 5.148 0.011 B 5 GLN HB2 H 1 1.872 0.009 B 5 GLN HB3 H 1 1.872 0.009 B 5 GLN HE21 H 1 6.793 0.005 B 5 GLN HE22 H 1 7.553 0.004 B 5 GLN HG2 H 1 2.177 0.003 B 5 GLN HG3 H 1 2.177 0.003 B 6 THR H H 1 9.201 0.015 B 6 THR HA H 1 4.670 0.011 B 6 THR HB H 1 4.503 0.014 B 6 THR HG2% H 1 1.038 0.021 B 7 ALA H H 1 8.432 0.005 B 7 ALA HA H 1 4.169 0.004 B 7 ALA HB% H 1 1.317 0.004 B 8 ARG H H 1 8.334 0.019 B 8 ARG HA H 1 4.215 0.020 B 8 ARG HBx H 1 1.655 0.013 B 8 ARG HBy H 1 1.922 0.016 B 8 ARG HD2 H 1 3.124 0.013 B 8 ARG HD3 H 1 3.124 0.013 B 8 ARG HE H 1 7.214 0.006 B 8 ARG HGx H 1 1.456 0.011 B 8 ARG HGy H 1 1.653 0.015 B 9 LYS H H 1 8.242 0.008 B 9 LYS HA H 1 4.087 0.001 B 9 LYS HBx H 1 1.570 0.007 B 9 LYS HBy H 1 1.763 0.005 B 9 LYS HE2 H 1 3.149 0.008 B 9 LYS HE3 H 1 3.149 0.008 B 9 LYS HGx H 1 1.570 0.007 B 9 LYS HGy H 1 1.656 0.017 B 10 SER H H 1 8.054 0.004 B 10 SER HA H 1 4.216 0.009 B 10 SER HB2 H 1 3.777 0.003 B 10 SER HB3 H 1 3.777 0.003 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 C 1 ZN ZN A 299 CYS SG 1.0 1.5 2.5 2 2 C 1 ZN ZN A 302 CYS SG 1.0 1.5 2.5 3 3 C 1 ZN ZN A 322 CYS SG 1.0 1.5 2.5 4 4 C 1 ZN ZN A 319 HIS ND1 1.0 1.5 2.5 5 5 4 1 ZN ZN A 311 CYS SG 1.0 1.5 2.5 6 6 4 1 ZN ZN A 314 CYS SG 1.0 1.5 2.5 7 7 4 1 ZN ZN A 337 CYS SG 1.0 1.5 2.5 8 8 4 1 ZN ZN A 340 CYS SG 1.0 1.5 2.5 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_9 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_9 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 309 ILE N A 318 PHE O 1.0 2.8 3.3 2 2 A 318 PHE O A 309 ILE H 1.0 1.8 2.3 3 3 A 318 PHE N A 309 ILE O 1.0 2.8 3.3 4 4 A 309 ILE O A 318 PHE H 1.0 1.8 2.3 5 5 A 311 CYS N A 316 ARG O 1.0 2.8 3.3 6 6 A 316 ARG O A 311 CYS H 1.0 1.8 2.3 7 7 A 319 HIS O A 323 LEU N 1.0 2.8 3.3 8 8 A 319 HIS O A 323 LEU H 1.0 1.8 2.3 stop_ save_ save_CNS/XPLOR_dihedral_7 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_7 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 293 GLN C A 294 LYS N A 294 LYS CA A 294 LYS C 1.0 -149.00 -71.00 PHI 2 2 A 294 LYS C A 295 ASN N A 295 ASN CA A 295 ASN C 1.0 -177.50 -102.50 PHI 3 3 A 295 ASN C A 296 GLU N A 296 GLU CA A 296 GLU C 1.0 -111.31 -49.31 PHI 4 4 A 296 GLU C A 297 ASP N A 297 ASP CA A 297 ASP C 1.0 -131.85 -69.85 PHI 5 5 A 297 ASP C A 298 GLU N A 298 GLU CA A 298 GLU C 1.0 -155.37 -113.37 PHI 6 6 A 298 GLU C A 299 CYS N A 299 CYS CA A 299 CYS C 1.0 -87.58 -45.58 PHI 7 7 A 301 VAL C A 302 CYS N A 302 CYS CA A 302 CYS C 1.0 -136.58 -94.58 PHI 8 8 A 303 ARG C A 304 ASP N A 304 ASP CA A 304 ASP C 1.0 -135.67 -73.67 PHI 9 9 A 310 CYS C A 311 CYS N A 311 CYS CA A 311 CYS C 1.0 -73.87 -51.87 PHI 10 10 A 311 CYS C A 312 ASP N A 312 ASP CA A 312 ASP C 1.0 -58.12 -47.12 PHI 11 11 A 313 GLY C A 314 CYS N A 314 CYS CA A 314 CYS C 1.0 -135.82 -93.82 PHI 12 12 A 314 CYS C A 315 PRO N A 315 PRO CA A 315 PRO C 1.0 -78.80 -36.80 PHI 13 13 A 315 PRO C A 316 ARG N A 316 ARG CA A 316 ARG C 1.0 -77.80 -35.80 PHI 14 14 A 318 PHE C A 319 HIS N A 319 HIS CA A 319 HIS C 1.0 -108.97 -86.97 PHI 15 15 A 321 ALA C A 322 CYS N A 322 CYS CA A 322 CYS C 1.0 -94.18 -52.18 PHI 16 16 A 322 CYS C A 323 LEU N A 323 LEU CA A 323 LEU C 1.0 -83.73 -41.73 PHI 17 17 A 323 LEU C A 324 SER N A 324 SER CA A 324 SER C 1.0 -138.34 -116.34 PHI 18 18 A 324 SER C A 325 PRO N A 325 PRO CA A 325 PRO C 1.0 -96.31 -54.31 PHI 19 19 A 325 PRO C A 326 PRO N A 326 PRO CA A 326 PRO C 1.0 -90.15 -48.15 PHI 20 20 A 326 PRO C A 327 LEU N A 327 LEU CA A 327 LEU C 1.0 -119.59 -57.59 PHI 21 21 A 327 LEU C A 328 ARG N A 328 ARG CA A 328 ARG C 1.0 -99.79 -57.79 PHI 22 22 A 328 ARG C A 329 GLU N A 329 GLU CA A 329 GLU C 1.0 -160.27 -118.27 PHI 23 23 A 329 GLU C A 330 ILE N A 330 ILE CA A 330 ILE C 1.0 -95.06 -53.06 PHI 24 24 A 330 ILE C A 331 PRO N A 331 PRO CA A 331 PRO C 1.0 -108.02 -46.02 PHI 25 25 A 332 SER C A 333 GLY N A 333 GLY CA A 333 GLY C 1.0 143.42 205.42 PHI 26 26 A 333 GLY C A 334 THR N A 334 THR CA A 334 THR C 1.0 -129.20 -67.20 PHI 27 27 A 334 THR C A 335 TRP N A 335 TRP CA A 335 TRP C 1.0 -107.13 -85.13 PHI 28 28 A 335 TRP C A 336 ARG N A 336 ARG CA A 336 ARG C 1.0 -135.98 -113.98 PHI 29 29 A 336 ARG C A 337 CYS N A 337 CYS CA A 337 CYS C 1.0 -89.52 -67.52 PHI 30 30 A 338 SER C A 339 SER N A 339 SER CA A 339 SER C 1.0 -60.21 -49.21 PHI 31 31 A 339 SER C A 340 CYS N A 340 CYS CA A 340 CYS C 1.0 -65.41 -54.41 PHI 32 32 A 340 CYS C A 341 LEU N A 341 LEU CA A 341 LEU C 1.0 -83.41 -41.41 PHI 33 33 A 341 LEU C A 342 GLN N A 342 GLN CA A 342 GLN C 1.0 -116.23 -54.23 PHI 34 34 A 342 GLN C A 343 ALA N A 343 ALA CA A 343 ALA C 1.0 -136.11 -54.11 PHI 35 35 A 294 LYS N A 294 LYS CA A 294 LYS C A 295 ASN N 1.0 95.50 152.50 PSI 36 36 A 295 ASN N A 295 ASN CA A 295 ASN C A 296 GLU N 1.0 136.50 175.50 PSI 37 37 A 296 GLU N A 296 GLU CA A 296 GLU C A 297 ASP N 1.0 100.14 162.14 PSI 38 38 A 297 ASP N A 297 ASP CA A 297 ASP C A 298 GLU N 1.0 1.09 63.09 PSI 39 39 A 298 GLU N A 298 GLU CA A 298 GLU C A 299 CYS N 1.0 113.29 155.29 PSI 40 40 A 299 CYS N A 299 CYS CA A 299 CYS C A 300 ALA N 1.0 139.39 181.39 PSI 41 41 A 302 CYS N A 302 CYS CA A 302 CYS C A 303 ARG N 1.0 -12.27 29.73 PSI 42 42 A 304 ASP N A 304 ASP CA A 304 ASP C A 305 GLY N 1.0 126.09 188.09 PSI 43 43 A 308 LEU N A 308 LEU CA A 308 LEU C A 309 ILE N 1.0 138.51 160.51 PSI 44 44 A 309 ILE N A 309 ILE CA A 309 ILE C A 310 CYS N 1.0 101.40 123.40 PSI 45 45 A 310 CYS N A 310 CYS CA A 310 CYS C A 311 CYS N 1.0 124.85 146.85 PSI 46 46 A 311 CYS N A 311 CYS CA A 311 CYS C A 312 ASP N 1.0 141.48 163.48 PSI 47 47 A 312 ASP N A 312 ASP CA A 312 ASP C A 313 GLY N 1.0 -80.68 -69.68 PSI 48 48 A 314 CYS N A 314 CYS CA A 314 CYS C A 315 PRO N 1.0 89.43 131.43 PSI 49 49 A 315 PRO N A 315 PRO CA A 315 PRO C A 316 ARG N 1.0 -38.17 3.83 PSI 50 50 A 316 ARG N A 316 ARG CA A 316 ARG C A 317 ALA N 1.0 122.08 164.08 PSI 51 51 A 317 ALA N A 317 ALA CA A 317 ALA C A 318 PHE N 1.0 140.37 162.37 PSI 52 52 A 318 PHE N A 318 PHE CA A 318 PHE C A 319 HIS N 1.0 153.03 175.03 PSI 53 53 A 319 HIS N A 319 HIS CA A 319 HIS C A 320 LEU N 1.0 146.44 168.44 PSI 54 54 A 320 LEU N A 320 LEU CA A 320 LEU C A 321 ALA N 1.0 -63.00 -52.00 PSI 55 55 A 321 ALA N A 321 ALA CA A 321 ALA C A 322 CYS N 1.0 -39.34 -8.34 PSI 56 56 A 322 CYS N A 322 CYS CA A 322 CYS C A 323 LEU N 1.0 -56.86 -14.86 PSI 57 57 A 323 LEU N A 323 LEU CA A 323 LEU C A 324 SER N 1.0 125.88 167.88 PSI 58 58 A 324 SER N A 324 SER CA A 324 SER C A 325 PRO N 1.0 98.32 120.32 PSI 59 59 A 325 PRO N A 325 PRO CA A 325 PRO C A 326 PRO N 1.0 129.76 171.76 PSI 60 60 A 326 PRO N A 326 PRO CA A 326 PRO C A 327 LEU N 1.0 124.64 166.64 PSI 61 61 A 327 LEU N A 327 LEU CA A 327 LEU C A 328 ARG N 1.0 106.27 168.27 PSI 62 62 A 328 ARG N A 328 ARG CA A 328 ARG C A 329 GLU N 1.0 -60.60 -18.60 PSI 63 63 A 329 GLU N A 329 GLU CA A 329 GLU C A 330 ILE N 1.0 139.69 181.69 PSI 64 64 A 330 ILE N A 330 ILE CA A 330 ILE C A 331 PRO N 1.0 99.32 141.32 PSI 65 65 A 331 PRO N A 331 PRO CA A 331 PRO C A 332 SER N 1.0 110.29 172.29 PSI 66 66 A 333 GLY N A 333 GLY CA A 333 GLY C A 334 THR N 1.0 -173.64 -111.64 PSI 67 67 A 334 THR N A 334 THR CA A 334 THR C A 335 TRP N 1.0 74.20 136.20 PSI 68 68 A 335 TRP N A 335 TRP CA A 335 TRP C A 336 ARG N 1.0 128.22 150.22 PSI 69 69 A 336 ARG N A 336 ARG CA A 336 ARG C A 337 CYS N 1.0 120.09 142.09 PSI 70 70 A 337 CYS N A 337 CYS CA A 337 CYS C A 338 SER N 1.0 -186.51 -164.51 PSI 71 71 A 338 SER N A 338 SER CA A 338 SER C A 339 SER N 1.0 -46.81 -35.81 PSI 72 72 A 339 SER N A 339 SER CA A 339 SER C A 340 CYS N 1.0 -54.19 -43.19 PSI 73 73 A 340 CYS N A 340 CYS CA A 340 CYS C A 341 LEU N 1.0 -54.47 -43.47 PSI 74 74 A 341 LEU N A 341 LEU CA A 341 LEU C A 342 GLN N 1.0 -52.43 -10.43 PSI 75 75 A 342 GLN N A 342 GLN CA A 342 GLN C A 343 ALA N 1.0 -37.36 24.64 PSI 76 76 A 343 ALA N A 343 ALA CA A 343 ALA C A 344 THR N 1.0 -14.37 67.63 PSI 77 77 A 307 GLU C A 308 LEU N A 308 LEU CA A 308 LEU C 1.0 -150.00 -90.00 PHI 78 78 A 308 LEU C A 309 ILE N A 309 ILE CA A 309 ILE C 1.0 -150.00 -90.00 PHI 79 79 A 309 ILE C A 310 CYS N A 310 CYS CA A 310 CYS C 1.0 -150.00 -90.00 PHI 80 80 A 316 ARG C A 317 ALA N A 317 ALA CA A 317 ALA C 1.0 -150.00 -90.00 PHI 81 81 A 317 ALA C A 318 PHE N A 318 PHE CA A 318 PHE C 1.0 -150.00 -90.00 PHI 82 82 A 319 HIS C A 320 LEU N A 320 LEU CA A 320 LEU C 1.0 -90.00 -30.00 PHI 83 83 A 320 LEU C A 321 ALA N A 321 ALA CA A 321 ALA C 1.0 -90.00 -30.00 PHI 84 84 A 337 CYS C A 338 SER N A 338 SER CA A 338 SER C 1.0 -90.00 -30.00 PHI 85 85 A 297 ASP N A 297 ASP CA A 297 ASP CB A 297 ASP CG 1.0 -100.00 -20.00 CHI1 86 86 A 312 ASP N A 312 ASP CA A 312 ASP CB A 312 ASP CG 1.0 140.00 220.00 CHI1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_11 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_11 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 320 LEU N A 320 LEU H 1.0 . . . 2 2 A 321 ALA N A 321 ALA H 1.0 . . . 3 3 A 309 ILE N A 309 ILE H 1.0 . . . 4 4 A 351 ARG N A 351 ARG H 1.0 . . . 5 5 A 295 ASN N A 295 ASN H 1.0 . . . 6 6 A 314 CYS N A 314 CYS H 1.0 . . . 7 7 A 318 PHE N A 318 PHE H 1.0 . . . 8 8 A 304 ASP N A 304 ASP H 1.0 . . . 9 9 A 332 SER N A 332 SER H 1.0 . . . 10 10 A 343 ALA N A 343 ALA H 1.0 . . . 11 11 A 316 ARG N A 316 ARG H 1.0 . . . 12 12 A 345 VAL N A 345 VAL H 1.0 . . . 13 13 A 328 ARG N A 328 ARG H 1.0 . . . 14 14 A 349 GLN N A 349 GLN H 1.0 . . . 15 15 A 308 LEU N A 308 LEU H 1.0 . . . 16 16 A 302 CYS N A 302 CYS H 1.0 . . . 17 17 A 347 GLU N A 347 GLU H 1.0 . . . 18 18 A 337 CYS N A 337 CYS H 1.0 . . . 19 19 A 312 ASP N A 312 ASP H 1.0 . . . 20 20 A 298 GLU N A 298 GLU H 1.0 . . . 21 21 A 319 HIS N A 319 HIS H 1.0 . . . 22 22 A 323 LEU N A 323 LEU H 1.0 . . . 23 23 A 299 CYS N A 299 CYS H 1.0 . . . 24 24 A 341 LEU N A 341 LEU H 1.0 . . . 25 25 A 336 ARG N A 336 ARG H 1.0 . . . 26 26 A 310 CYS N A 310 CYS H 1.0 . . . 27 27 A 330 ILE N A 330 ILE H 1.0 . . . 28 28 A 334 THR N A 334 THR H 1.0 . . . 29 29 A 301 VAL N A 301 VAL H 1.0 . . . 30 30 A 311 CYS N A 311 CYS H 1.0 . . . 31 31 A 353 GLU N A 353 GLU H 1.0 . . . 32 32 A 317 ALA N A 317 ALA H 1.0 . . . 33 33 A 294 LYS N A 294 LYS H 1.0 . . . 34 34 A 338 SER N A 338 SER H 1.0 . . . 35 35 A 327 LEU N A 327 LEU H 1.0 . . . 36 36 A 352 ALA N A 352 ALA H 1.0 . . . 37 37 A 291 MET N A 291 MET H 1.0 . . . 38 38 A 324 SER N A 324 SER H 1.0 . . . 39 39 A 329 GLU N A 329 GLU H 1.0 . . . 40 40 A 300 ALA N A 300 ALA H 1.0 . . . 41 41 A 335 TRP N A 335 TRP H 1.0 . . . 42 42 A 303 ARG N A 303 ARG H 1.0 . . . 43 43 A 296 GLU N A 296 GLU H 1.0 . . . 44 44 A 340 CYS N A 340 CYS H 1.0 . . . 45 45 A 348 VAL N A 348 VAL H 1.0 . . . 46 46 A 292 ALA N A 292 ALA H 1.0 . . . 47 47 A 322 CYS N A 322 CYS H 1.0 . . . 48 48 A 344 THR N A 344 THR H 1.0 . . . 49 49 A 333 GLY N A 333 GLY H 1.0 . . . 50 50 A 354 GLU N A 354 GLU H 1.0 . . . 51 51 A 307 GLU N A 307 GLU H 1.0 . . . 52 52 A 293 GLN N A 293 GLN H 1.0 . . . stop_ save_