data_nef_c19027_2m4y 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 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 1 MET start . . 2 A 2 THR middle . . 3 A 3 ALA middle . . 4 A 4 TYR middle . . 5 A 5 ARG middle . . 6 A 6 CYS middle . . 7 A 7 PRO middle . false 8 A 8 VAL middle . . 9 A 9 CYS middle . . 10 A 10 ASP middle . . 11 A 11 TYR middle . . 12 A 12 THR middle . . 13 A 13 TYR middle . . 14 A 14 ASP middle . . 15 A 15 GLU middle . . 16 A 16 GLY middle . false 17 A 17 LYS middle . . 18 A 18 GLY middle . false 19 A 19 ASP middle . . 20 A 20 PRO middle . false 21 A 21 ARG middle . . 22 A 22 GLU middle . . 23 A 23 GLY middle . false 24 A 24 PHE middle . . 25 A 25 PRO middle . false 26 A 26 ALA middle . . 27 A 27 GLY middle . false 28 A 28 THR middle . . 29 A 29 ARG middle . . 30 A 30 TRP middle . . 31 A 31 ASP middle . . 32 A 32 GLN middle . . 33 A 33 ILE middle . . 34 A 34 PRO middle . false 35 A 35 ASP middle . . 36 A 36 ASP middle . . 37 A 37 TRP middle . . 38 A 38 CYS middle . . 39 A 39 CYS middle . . 40 A 40 PRO middle . false 41 A 41 ASP middle . . 42 A 42 CYS middle . . 43 A 43 SER middle . . 44 A 44 VAL middle . . 45 A 45 ARG middle . . 46 A 46 GLU middle . . 47 A 47 LYS middle . . 48 A 48 VAL middle . . 49 A 49 ASP middle . . 50 A 50 PHE middle . . 51 A 51 GLU middle . . 52 A 52 ARG middle . . 53 A 53 MET middle . . 54 A 54 GLY middle . false 55 A 55 GLY middle . false 56 A 56 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 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 1 MET HA H 1 4.532 0.05 A 1 MET HB3 H 1 1.986 0.05 A 1 MET HE% H 1 2.376 0.05 A 1 MET HG3 H 1 2.536 0.05 A 1 MET C C 13 175.970 0.10 A 1 MET CA C 13 56.739 0.10 A 1 MET CB C 13 34.430 0.10 A 2 THR H H 1 9.154 0.05 A 2 THR HA H 1 4.410 0.05 A 2 THR HB H 1 3.855 0.05 A 2 THR HG2% H 1 0.887 0.05 A 2 THR C C 13 171.369 0.10 A 2 THR CA C 13 61.966 0.10 A 2 THR CB C 13 71.197 0.10 A 2 THR CG2 C 13 21.765 0.10 A 2 THR N N 15 119.701 0.10 A 3 ALA H H 1 8.067 0.05 A 3 ALA HA H 1 5.485 0.05 A 3 ALA HB% H 1 1.083 0.05 A 3 ALA C C 13 174.550 0.10 A 3 ALA CA C 13 51.136 0.10 A 3 ALA CB C 13 23.236 0.10 A 3 ALA N N 15 125.223 0.10 A 4 TYR H H 1 9.008 0.05 A 4 TYR HA H 1 4.834 0.05 A 4 TYR HB2 H 1 2.060 0.05 A 4 TYR HB3 H 1 2.247 0.05 A 4 TYR HD1 H 1 6.141 0.05 A 4 TYR HD2 H 1 6.141 0.05 A 4 TYR C C 13 174.331 0.10 A 4 TYR CA C 13 57.792 0.10 A 4 TYR CB C 13 44.073 0.10 A 4 TYR N N 15 119.327 0.10 A 5 ARG H H 1 9.374 0.05 A 5 ARG HA H 1 5.482 0.05 A 5 ARG HB2 H 1 1.669 0.05 A 5 ARG HB3 H 1 1.496 0.05 A 5 ARG HD2 H 1 3.049 0.05 A 5 ARG HD3 H 1 2.972 0.05 A 5 ARG HG3 H 1 1.279 0.05 A 5 ARG C C 13 174.456 0.10 A 5 ARG CA C 13 54.571 0.10 A 5 ARG CB C 13 36.478 0.10 A 5 ARG CD C 13 44.308 0.10 A 5 ARG CG C 13 27.434 0.10 A 5 ARG N N 15 122.617 0.10 A 6 CYS H H 1 9.180 0.05 A 6 CYS HA H 1 3.306 0.05 A 6 CYS CA C 13 57.218 0.10 A 6 CYS CB C 13 32.612 0.10 A 6 CYS N N 15 131.493 0.10 A 7 PRO HA H 1 4.383 0.05 A 7 PRO HB2 H 1 2.176 0.05 A 7 PRO HD3 H 1 3.496 0.05 A 7 PRO HG2 H 1 1.939 0.05 A 7 PRO HG3 H 1 2.002 0.05 A 7 PRO C C 13 177.281 0.10 A 7 PRO CA C 13 64.699 0.10 A 7 PRO CB C 13 33.138 0.10 A 7 PRO CD C 13 50.625 0.10 A 7 PRO CG C 13 28.106 0.10 A 8 VAL H H 1 9.396 0.05 A 8 VAL HA H 1 3.865 0.05 A 8 VAL HB H 1 2.241 0.05 A 8 VAL HG1% H 1 0.748 0.05 A 8 VAL HG2% H 1 0.699 0.05 A 8 VAL C C 13 177.405 0.10 A 8 VAL CA C 13 66.224 0.10 A 8 VAL CB C 13 33.281 0.10 A 8 VAL CG1 C 13 24.123 0.10 A 8 VAL CG2 C 13 21.845 0.10 A 8 VAL N N 15 125.048 0.10 A 9 CYS H H 1 8.536 0.05 A 9 CYS HA H 1 4.843 0.05 A 9 CYS HB2 H 1 2.401 0.05 A 9 CYS HB3 H 1 3.186 0.05 A 9 CYS C C 13 176.232 0.10 A 9 CYS CA C 13 59.872 0.10 A 9 CYS CB C 13 33.899 0.10 A 9 CYS N N 15 121.339 0.10 A 10 ASP H H 1 7.829 0.05 A 10 ASP HA H 1 4.231 0.05 A 10 ASP HB3 H 1 2.854 0.05 A 10 ASP C C 13 175.398 0.10 A 10 ASP CA C 13 58.005 0.10 A 10 ASP CB C 13 41.320 0.10 A 10 ASP N N 15 118.066 0.10 A 11 TYR H H 1 9.158 0.05 A 11 TYR HA H 1 4.163 0.05 A 11 TYR HB2 H 1 3.240 0.05 A 11 TYR HB3 H 1 3.076 0.05 A 11 TYR HD1 H 1 7.330 0.05 A 11 TYR HD2 H 1 7.330 0.05 A 11 TYR C C 13 174.865 0.10 A 11 TYR CA C 13 62.639 0.10 A 11 TYR CB C 13 40.242 0.10 A 11 TYR N N 15 127.926 0.10 A 12 THR H H 1 7.803 0.05 A 12 THR HA H 1 5.097 0.05 A 12 THR HB H 1 3.646 0.05 A 12 THR HG2% H 1 0.851 0.05 A 12 THR C C 13 172.419 0.10 A 12 THR CA C 13 61.689 0.10 A 12 THR CB C 13 72.538 0.10 A 12 THR CG2 C 13 21.473 0.10 A 12 THR N N 15 122.867 0.10 A 13 TYR H H 1 9.633 0.05 A 13 TYR HA H 1 4.498 0.05 A 13 TYR HB2 H 1 3.095 0.05 A 13 TYR HB3 H 1 3.342 0.05 A 13 TYR HD1 H 1 7.190 0.05 A 13 TYR HD2 H 1 7.190 0.05 A 13 TYR C C 13 172.434 0.10 A 13 TYR CA C 13 58.937 0.10 A 13 TYR CB C 13 41.423 0.10 A 13 TYR N N 15 128.551 0.10 A 14 ASP H H 1 8.871 0.05 A 14 ASP HA H 1 4.772 0.05 A 14 ASP HB2 H 1 2.116 0.05 A 14 ASP HB3 H 1 2.587 0.05 A 14 ASP C C 13 175.913 0.10 A 14 ASP CA C 13 52.819 0.10 A 14 ASP CB C 13 44.883 0.10 A 14 ASP N N 15 130.010 0.10 A 15 GLU H H 1 8.513 0.05 A 15 GLU HA H 1 3.871 0.05 A 15 GLU HB2 H 1 1.893 0.05 A 15 GLU HB3 H 1 2.121 0.05 A 15 GLU HG2 H 1 2.842 0.05 A 15 GLU HG3 H 1 2.760 0.05 A 15 GLU C C 13 177.377 0.10 A 15 GLU CA C 13 59.851 0.10 A 15 GLU CB C 13 33.567 0.10 A 15 GLU CG C 13 38.382 0.10 A 15 GLU N N 15 124.543 0.10 A 16 GLY H H 1 8.415 0.05 A 16 GLY HA3 H 1 3.710 0.05 A 16 GLY C C 13 175.805 0.10 A 16 GLY CA C 13 47.481 0.10 A 16 GLY N N 15 101.955 0.10 A 17 LYS H H 1 7.518 0.05 A 17 LYS HA H 1 4.243 0.05 A 17 LYS HB3 H 1 1.853 0.05 A 17 LYS HD2 H 1 1.554 0.05 A 17 LYS HD3 H 1 1.737 0.05 A 17 LYS HE3 H 1 2.873 0.05 A 17 LYS HG3 H 1 1.280 0.05 A 17 LYS C C 13 178.731 0.10 A 17 LYS CA C 13 57.830 0.10 A 17 LYS CB C 13 35.378 0.10 A 17 LYS CD C 13 29.711 0.10 A 17 LYS CE C 13 42.915 0.10 A 17 LYS CG C 13 25.737 0.10 A 17 LYS N N 15 118.967 0.10 A 18 GLY H H 1 8.340 0.05 A 18 GLY HA3 H 1 3.873 0.05 A 18 GLY C C 13 174.014 0.10 A 18 GLY CA C 13 45.196 0.10 A 18 GLY N N 15 105.920 0.10 A 19 ASP H H 1 9.398 0.05 A 19 ASP HA H 1 4.999 0.05 A 19 ASP CA C 13 53.849 0.10 A 19 ASP CB C 13 42.778 0.10 A 19 ASP N N 15 115.186 0.10 A 20 PRO HA H 1 4.085 0.05 A 20 PRO HB2 H 1 2.358 0.05 A 20 PRO HB3 H 1 2.004 0.05 A 20 PRO HD2 H 1 3.742 0.05 A 20 PRO HG3 H 1 2.143 0.05 A 20 PRO C C 13 179.781 0.10 A 20 PRO CA C 13 65.698 0.10 A 20 PRO CB C 13 33.153 0.10 A 20 PRO CD C 13 51.827 0.10 A 20 PRO CG C 13 28.126 0.10 A 21 ARG H H 1 8.130 0.05 A 21 ARG HA H 1 4.035 0.05 A 21 ARG HB3 H 1 2.043 0.05 A 21 ARG HD3 H 1 3.254 0.05 A 21 ARG HG3 H 1 1.702 0.05 A 21 ARG C C 13 178.035 0.10 A 21 ARG CA C 13 60.027 0.10 A 21 ARG CB C 13 30.792 0.10 A 21 ARG CD C 13 44.383 0.10 A 21 ARG CG C 13 28.047 0.10 A 21 ARG N N 15 119.558 0.10 A 22 GLU H H 1 7.351 0.05 A 22 GLU HA H 1 4.088 0.05 A 22 GLU HB2 H 1 1.580 0.05 A 22 GLU HB3 H 1 2.064 0.05 A 22 GLU HG2 H 1 2.531 0.05 A 22 GLU HG3 H 1 2.211 0.05 A 22 GLU C C 13 175.223 0.10 A 22 GLU CA C 13 55.606 0.10 A 22 GLU CB C 13 32.615 0.10 A 22 GLU CG C 13 37.631 0.10 A 22 GLU N N 15 115.743 0.10 A 23 GLY H H 1 7.418 0.05 A 23 GLY HA2 H 1 3.486 0.05 A 23 GLY HA3 H 1 3.772 0.05 A 23 GLY C C 13 173.653 0.10 A 23 GLY CA C 13 46.150 0.10 A 23 GLY N N 15 104.201 0.10 A 24 PHE H H 1 7.332 0.05 A 24 PHE HA H 1 5.348 0.05 A 24 PHE HB2 H 1 2.910 0.05 A 24 PHE HB3 H 1 3.039 0.05 A 24 PHE HD1 H 1 6.802 0.05 A 24 PHE HD2 H 1 6.802 0.05 A 24 PHE HE1 H 1 6.548 0.05 A 24 PHE HE2 H 1 6.548 0.05 A 24 PHE CA C 13 52.426 0.10 A 24 PHE CB C 13 40.179 0.10 A 24 PHE CD1 C 13 132.219 0.10 A 24 PHE CD2 C 13 132.219 0.10 A 24 PHE N N 15 119.913 0.10 A 25 PRO HA H 1 4.380 0.05 A 25 PRO HB2 H 1 1.837 0.05 A 25 PRO HB3 H 1 2.293 0.05 A 25 PRO HD2 H 1 3.954 0.05 A 25 PRO HD3 H 1 3.783 0.05 A 25 PRO HG3 H 1 1.795 0.05 A 25 PRO C C 13 176.423 0.10 A 25 PRO CA C 13 63.164 0.10 A 25 PRO CB C 13 33.773 0.10 A 25 PRO CD C 13 52.308 0.10 A 25 PRO CG C 13 27.978 0.10 A 26 ALA H H 1 8.807 0.05 A 26 ALA HA H 1 3.410 0.05 A 26 ALA HB% H 1 1.260 0.05 A 26 ALA C C 13 177.828 0.10 A 26 ALA CA C 13 55.354 0.10 A 26 ALA CB C 13 18.850 0.10 A 26 ALA N N 15 125.017 0.10 A 27 GLY H H 1 8.047 0.05 A 27 GLY HA2 H 1 3.487 0.05 A 27 GLY HA3 H 1 4.159 0.05 A 27 GLY C C 13 174.600 0.10 A 27 GLY CA C 13 46.388 0.10 A 27 GLY N N 15 112.134 0.10 A 28 THR H H 1 7.629 0.05 A 28 THR HA H 1 3.864 0.05 A 28 THR HB H 1 4.185 0.05 A 28 THR HG2% H 1 0.776 0.05 A 28 THR C C 13 174.146 0.10 A 28 THR CA C 13 65.904 0.10 A 28 THR CB C 13 68.895 0.10 A 28 THR CG2 C 13 21.564 0.10 A 28 THR N N 15 117.918 0.10 A 29 ARG H H 1 8.621 0.05 A 29 ARG HA H 1 4.233 0.05 A 29 ARG HB2 H 1 1.995 0.05 A 29 ARG HB3 H 1 1.737 0.05 A 29 ARG HD2 H 1 3.102 0.05 A 29 ARG HD3 H 1 3.191 0.05 A 29 ARG HG3 H 1 1.525 0.05 A 29 ARG C C 13 177.469 0.10 A 29 ARG CA C 13 56.070 0.10 A 29 ARG CB C 13 32.377 0.10 A 29 ARG CD C 13 43.691 0.10 A 29 ARG CG C 13 28.413 0.10 A 29 ARG N N 15 129.298 0.10 A 30 TRP H H 1 10.310 0.05 A 30 TRP HA H 1 3.985 0.05 A 30 TRP HB2 H 1 2.991 0.05 A 30 TRP HB3 H 1 2.857 0.05 A 30 TRP HD1 H 1 6.523 0.05 A 30 TRP C C 13 178.407 0.10 A 30 TRP CA C 13 60.243 0.10 A 30 TRP CB C 13 32.213 0.10 A 30 TRP CD1 C 13 126.582 0.10 A 30 TRP N N 15 123.961 0.10 A 31 ASP H H 1 8.042 0.05 A 31 ASP HA H 1 4.093 0.05 A 31 ASP HB2 H 1 2.584 0.05 A 31 ASP HB3 H 1 2.474 0.05 A 31 ASP C C 13 176.435 0.10 A 31 ASP CA C 13 56.056 0.10 A 31 ASP CB C 13 40.739 0.10 A 31 ASP N N 15 111.781 0.10 A 32 GLN H H 1 7.787 0.05 A 32 GLN HA H 1 3.949 0.05 A 32 GLN HB3 H 1 1.959 0.05 A 32 GLN HE21 H 1 7.564 0.05 A 32 GLN HE22 H 1 6.730 0.05 A 32 GLN HG2 H 1 2.141 0.05 A 32 GLN HG3 H 1 2.149 0.05 A 32 GLN C C 13 175.655 0.10 A 32 GLN CA C 13 56.282 0.10 A 32 GLN CB C 13 30.867 0.10 A 32 GLN CD C 13 180.620 0.10 A 32 GLN CG C 13 36.189 0.10 A 32 GLN N N 15 117.006 0.10 A 32 GLN NE2 N 15 112.925 0.10 A 33 ILE H H 1 6.746 0.05 A 33 ILE HA H 1 3.306 0.05 A 33 ILE HB H 1 0.446 0.05 A 33 ILE HD1% H 1 -1.207 0.05 A 33 ILE HG12 H 1 0.195 0.05 A 33 ILE HG13 H 1 -0.763 0.05 A 33 ILE HG2% H 1 -0.535 0.05 A 33 ILE CA C 13 59.158 0.10 A 33 ILE CB C 13 38.472 0.10 A 33 ILE CD1 C 13 11.044 0.10 A 33 ILE CG1 C 13 27.359 0.10 A 33 ILE CG2 C 13 15.168 0.10 A 33 ILE N N 15 125.130 0.10 A 34 PRO HA H 1 4.067 0.05 A 34 PRO HB2 H 1 2.262 0.05 A 34 PRO HB3 H 1 1.910 0.05 A 34 PRO HD2 H 1 3.642 0.05 A 34 PRO HD3 H 1 3.211 0.05 A 34 PRO HG3 H 1 2.058 0.05 A 34 PRO C C 13 176.375 0.10 A 34 PRO CA C 13 64.319 0.10 A 34 PRO CB C 13 33.598 0.10 A 34 PRO CD C 13 52.151 0.10 A 34 PRO CG C 13 28.552 0.10 A 35 ASP H H 1 8.323 0.05 A 35 ASP HA H 1 4.070 0.05 A 35 ASP HB2 H 1 2.368 0.05 A 35 ASP HB3 H 1 2.507 0.05 A 35 ASP C C 13 175.841 0.10 A 35 ASP CA C 13 57.984 0.10 A 35 ASP CB C 13 41.663 0.10 A 35 ASP N N 15 119.176 0.10 A 36 ASP H H 1 8.035 0.05 A 36 ASP HA H 1 4.484 0.05 A 36 ASP HB2 H 1 2.387 0.05 A 36 ASP HB3 H 1 2.830 0.05 A 36 ASP C C 13 175.704 0.10 A 36 ASP CA C 13 53.225 0.10 A 36 ASP CB C 13 40.353 0.10 A 36 ASP N N 15 113.960 0.10 A 37 TRP H H 1 7.524 0.05 A 37 TRP HA H 1 4.175 0.05 A 37 TRP HB2 H 1 2.946 0.05 A 37 TRP HB3 H 1 2.797 0.05 A 37 TRP HD1 H 1 7.261 0.05 A 37 TRP HE1 H 1 10.238 0.05 A 37 TRP C C 13 174.365 0.10 A 37 TRP CA C 13 60.445 0.10 A 37 TRP CB C 13 30.338 0.10 A 37 TRP CD1 C 13 127.095 0.10 A 37 TRP N N 15 123.373 0.10 A 38 CYS H H 1 6.987 0.05 A 38 CYS HA H 1 4.553 0.05 A 38 CYS HB2 H 1 2.207 0.05 A 38 CYS HB3 H 1 2.409 0.05 A 38 CYS C C 13 170.825 0.10 A 38 CYS CA C 13 56.470 0.10 A 38 CYS CB C 13 31.776 0.10 A 38 CYS N N 15 122.179 0.10 A 39 CYS H H 1 8.053 0.05 A 39 CYS HA H 1 3.585 0.05 A 39 CYS HB3 H 1 2.809 0.05 A 39 CYS CA C 13 58.215 0.10 A 39 CYS CB C 13 32.590 0.10 A 39 CYS N N 15 122.613 0.10 A 40 PRO HA H 1 3.989 0.05 A 40 PRO HB2 H 1 1.544 0.05 A 40 PRO HB3 H 1 2.066 0.05 A 40 PRO HD2 H 1 2.584 0.05 A 40 PRO HD3 H 1 3.096 0.05 A 40 PRO HG2 H 1 1.354 0.05 A 40 PRO HG3 H 1 1.566 0.05 A 40 PRO C C 13 176.898 0.10 A 40 PRO CA C 13 64.560 0.10 A 40 PRO CB C 13 33.524 0.10 A 40 PRO CD C 13 52.344 0.10 A 40 PRO CG C 13 28.050 0.10 A 41 ASP H H 1 8.514 0.05 A 41 ASP HA H 1 4.673 0.05 A 41 ASP HB2 H 1 2.989 0.05 A 41 ASP HB3 H 1 2.863 0.05 A 41 ASP C C 13 177.521 0.10 A 41 ASP CA C 13 56.575 0.10 A 41 ASP CB C 13 42.949 0.10 A 41 ASP N N 15 122.580 0.10 A 42 CYS H H 1 8.489 0.05 A 42 CYS HA H 1 4.575 0.05 A 42 CYS HB2 H 1 2.909 0.05 A 42 CYS HB3 H 1 2.753 0.05 A 42 CYS C C 13 176.608 0.10 A 42 CYS CA C 13 60.702 0.10 A 42 CYS CB C 13 32.325 0.10 A 42 CYS N N 15 120.989 0.10 A 43 SER H H 1 7.259 0.05 A 43 SER HA H 1 4.552 0.05 A 43 SER HB2 H 1 3.807 0.05 A 43 SER HB3 H 1 3.952 0.05 A 43 SER C C 13 174.781 0.10 A 43 SER CA C 13 60.651 0.10 A 43 SER CB C 13 63.609 0.10 A 43 SER N N 15 114.015 0.10 A 44 VAL H H 1 8.640 0.05 A 44 VAL HA H 1 4.391 0.05 A 44 VAL HB H 1 2.364 0.05 A 44 VAL HG2% H 1 0.839 0.05 A 44 VAL C C 13 176.216 0.10 A 44 VAL CA C 13 63.184 0.10 A 44 VAL CB C 13 33.595 0.10 A 44 VAL CG2 C 13 21.707 0.10 A 44 VAL N N 15 113.888 0.10 A 45 ARG H H 1 6.674 0.05 A 45 ARG HA H 1 4.726 0.05 A 45 ARG HB2 H 1 2.073 0.05 A 45 ARG HB3 H 1 1.678 0.05 A 45 ARG HD2 H 1 3.426 0.05 A 45 ARG HD3 H 1 3.039 0.05 A 45 ARG HG3 H 1 1.405 0.05 A 45 ARG C C 13 174.378 0.10 A 45 ARG CA C 13 54.492 0.10 A 45 ARG CB C 13 34.247 0.10 A 45 ARG CD C 13 44.092 0.10 A 45 ARG CG C 13 27.889 0.10 A 45 ARG N N 15 119.350 0.10 A 46 GLU H H 1 9.287 0.05 A 46 GLU HA H 1 4.795 0.05 A 46 GLU HB2 H 1 1.881 0.05 A 46 GLU HB3 H 1 2.239 0.05 A 46 GLU C C 13 176.797 0.10 A 46 GLU CA C 13 55.819 0.10 A 46 GLU CB C 13 33.988 0.10 A 46 GLU CG C 13 37.707 0.10 A 46 GLU N N 15 122.707 0.10 A 47 LYS H H 1 8.229 0.05 A 47 LYS HA H 1 3.633 0.05 A 47 LYS HB2 H 1 1.642 0.05 A 47 LYS HB3 H 1 1.800 0.05 A 47 LYS HG2 H 1 0.677 0.05 A 47 LYS HG3 H 1 0.924 0.05 A 47 LYS C C 13 179.071 0.10 A 47 LYS CA C 13 61.748 0.10 A 47 LYS CB C 13 35.084 0.10 A 47 LYS CD C 13 30.577 0.10 A 47 LYS CE C 13 42.071 0.10 A 47 LYS CG C 13 25.859 0.10 A 47 LYS N N 15 121.213 0.10 A 48 VAL H H 1 7.813 0.05 A 48 VAL HA H 1 4.088 0.05 A 48 VAL HB H 1 2.273 0.05 A 48 VAL HG1% H 1 0.942 0.05 A 48 VAL C C 13 175.267 0.10 A 48 VAL CA C 13 65.023 0.10 A 48 VAL CB C 13 32.425 0.10 A 48 VAL CG1 C 13 21.238 0.10 A 48 VAL N N 15 112.335 0.10 A 49 ASP H H 1 8.360 0.05 A 49 ASP HA H 1 4.879 0.05 A 49 ASP HB3 H 1 2.909 0.05 A 49 ASP C C 13 177.232 0.10 A 49 ASP CA C 13 55.900 0.10 A 49 ASP CB C 13 44.292 0.10 A 49 ASP N N 15 118.790 0.10 A 50 PHE H H 1 8.227 0.05 A 50 PHE HA H 1 4.528 0.05 A 50 PHE HB2 H 1 4.029 0.05 A 50 PHE HB3 H 1 2.839 0.05 A 50 PHE HD1 H 1 7.350 0.05 A 50 PHE HD2 H 1 7.350 0.05 A 50 PHE HE1 H 1 7.140 0.05 A 50 PHE HE2 H 1 7.140 0.05 A 50 PHE C C 13 176.351 0.10 A 50 PHE CA C 13 60.576 0.10 A 50 PHE CB C 13 41.373 0.10 A 50 PHE N N 15 121.477 0.10 A 51 GLU H H 1 9.170 0.05 A 51 GLU HA H 1 4.583 0.05 A 51 GLU HB2 H 1 1.852 0.05 A 51 GLU HB3 H 1 1.922 0.05 A 51 GLU HG2 H 1 2.125 0.05 A 51 GLU HG3 H 1 2.218 0.05 A 51 GLU C C 13 175.785 0.10 A 51 GLU CA C 13 55.664 0.10 A 51 GLU CB C 13 33.082 0.10 A 51 GLU CG C 13 36.970 0.10 A 51 GLU N N 15 120.869 0.10 A 52 ARG H H 1 8.810 0.05 A 52 ARG HA H 1 3.657 0.05 A 52 ARG HB2 H 1 1.460 0.05 A 52 ARG HB3 H 1 1.569 0.05 A 52 ARG HD3 H 1 2.976 0.05 A 52 ARG HG2 H 1 1.199 0.05 A 52 ARG HG3 H 1 0.864 0.05 A 52 ARG C C 13 176.531 0.10 A 52 ARG CA C 13 57.361 0.10 A 52 ARG CB C 13 31.394 0.10 A 52 ARG CD C 13 44.376 0.10 A 52 ARG CG C 13 27.950 0.10 A 52 ARG N N 15 126.629 0.10 A 53 MET H H 1 8.561 0.05 A 53 MET HA H 1 4.358 0.05 A 53 MET HB2 H 1 1.894 0.05 A 53 MET HB3 H 1 1.672 0.05 A 53 MET HG3 H 1 2.192 0.05 A 53 MET C C 13 176.545 0.10 A 53 MET CA C 13 56.209 0.10 A 53 MET CB C 13 33.611 0.10 A 53 MET CG C 13 32.610 0.10 A 53 MET N N 15 127.146 0.10 A 54 GLY H H 1 8.286 0.05 A 54 GLY HA3 H 1 3.869 0.05 A 54 GLY C C 13 174.379 0.10 A 54 GLY CA C 13 46.320 0.10 A 54 GLY N N 15 109.727 0.10 A 55 GLY H H 1 8.242 0.05 A 55 GLY HA3 H 1 3.846 0.05 A 55 GLY C C 13 173.142 0.10 A 55 GLY CA C 13 46.222 0.10 A 55 GLY N N 15 109.085 0.10 A 56 LYS H H 1 7.867 0.05 A 56 LYS HA H 1 4.083 0.05 A 56 LYS HE3 H 1 2.874 0.05 A 56 LYS CA C 13 58.761 0.10 A 56 LYS CB C 13 34.759 0.10 A 56 LYS CD C 13 30.092 0.10 A 56 LYS CE C 13 41.833 0.10 A 56 LYS CG C 13 25.775 0.10 A 56 LYS N N 15 125.672 0.10 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 1 MET HA A 2 THR H 1.0 . 3.23 2 2 A 2 THR HA A 3 ALA H 1.0 . 3.30 3 3 A 3 ALA H A 3 ALA HB% 1.0 . 3.47 4 4 A 3 ALA H A 4 TYR H 1.0 . 4.36 5 5 A 4 TYR H A 4 TYR HD% 1.0 . 3.88 6 6 A 4 TYR H A 3 ALA HA 1.0 . 3.30 7 7 A 4 TYR H A 14 ASP HB2 1.0 . 4.53 8 8 A 3 ALA HB% A 4 TYR H 1.0 . 3.75 9 9 A 4 TYR HA A 5 ARG H 1.0 . 3.27 10 10 A 5 ARG H A 4 TYR HB3 1.0 . 3.87 11 11 A 5 ARG HA A 6 CYS H 1.0 . 3.35 12 12 A 6 CYS H A 50 PHE HD% 1.0 . 4.20 13 13 A 2 THR H A 2 THR HB 1.0 . 4.13 14 14 A 2 THR H A 2 THR HG2% 1.0 . 4.08 15 15 A 2 THR H A 3 ALA H 1.0 . 4.58 16 16 A 4 TYR H A 13 TYR H 1.0 . 5.13 17 17 A 8 VAL H A 9 CYS H 1.0 . 5.50 18 18 A 9 CYS H A 10 ASP H 1.0 . 3.50 19 19 A 42 CYS H A 42 CYS HB2 1.0 . 3.78 20 20 A 10 ASP H A 42 CYS HB2 1.0 . 4.09 21 21 A 11 TYR HA A 12 THR H 1.0 . 3.05 22 22 A 12 THR H A 12 THR HB 1.0 . 3.91 23 23 A 12 THR H A 12 THR HG2% 1.0 . 4.43 24 24 A 5 ARG HA A 13 TYR H 1.0 . 4.50 25 25 A 13 TYR H A 12 THR HA 1.0 . 3.23 26 26 A 13 TYR H A 12 THR HB 1.0 . 4.73 27 27 A 13 TYR H A 13 TYR HB3 1.0 . 4.07 28 28 A 13 TYR H A 13 TYR HB2 1.0 . 4.07 29 29 A 14 ASP HB2 A 13 TYR H 1.0 . 5.50 30 30 A 13 TYR H A 12 THR HG2% 1.0 . 4.13 31 31 A 14 ASP H A 15 GLU H 1.0 . 4.69 32 32 A 14 ASP H A 13 TYR HD% 1.0 . 4.77 33 33 A 14 ASP H A 13 TYR HA 1.0 . 3.16 34 34 A 14 ASP H A 14 ASP HB3 1.0 . 3.57 35 35 A 14 ASP HB2 A 14 ASP H 1.0 . 3.83 36 36 A 3 ALA HA A 15 GLU H 1.0 . 4.11 37 37 A 15 GLU H A 14 ASP HA 1.0 . 3.11 38 38 A 15 GLU H A 15 GLU HG2 1.0 . 4.48 39 39 A 14 ASP HB2 A 15 GLU H 1.0 . 4.13 40 40 A 15 GLU H A 30 TRP HD1 1.0 . 5.29 41 41 A 16 GLY H A 17 LYS H 1.0 . 3.68 42 42 A 14 ASP HA A 16 GLY H 1.0 . 4.72 43 43 A 17 LYS H A 18 GLY H 1.0 . 3.15 44 44 A 14 ASP HA A 17 LYS H 1.0 . 4.60 45 45 A 14 ASP HB3 A 17 LYS H 1.0 . 4.26 46 46 A 18 GLY H A 26 ALA HA 1.0 . 4.81 47 47 A 18 GLY H A 17 LYS HG3 1.0 . 4.72 48 48 A 21 ARG H A 22 GLU H 1.0 . 3.48 49 49 A 22 GLU H A 22 GLU HG2 1.0 . 4.48 50 50 A 21 ARG H A 23 GLY H 1.0 . 4.41 51 51 A 23 GLY H A 20 PRO HA 1.0 . 4.28 52 52 A 23 GLY H A 22 GLU HB3 1.0 . 4.80 53 53 A 23 GLY H A 22 GLU HB2 1.0 . 4.80 54 54 A 24 PHE H A 24 PHE HD% 1.0 . 4.48 55 55 A 20 PRO HA A 24 PHE H 1.0 . 3.85 56 56 A 24 PHE H A 22 GLU HB3 1.0 . 4.65 57 57 A 24 PHE H A 22 GLU HB2 1.0 . 4.65 58 58 A 25 PRO HA A 26 ALA H 1.0 . 3.25 59 59 A 26 ALA H A 25 PRO HB2 1.0 . 4.14 60 60 A 26 ALA H A 25 PRO HB3 1.0 . 4.08 61 61 A 26 ALA H A 26 ALA HB% 1.0 . 3.33 62 62 A 18 GLY H A 27 GLY H 1.0 . 5.17 63 63 A 26 ALA HB% A 27 GLY H 1.0 . 3.97 64 64 A 31 ASP H A 33 ILE H 1.0 . 4.79 65 65 A 31 ASP H A 31 ASP HB2 1.0 . 4.18 66 66 A 31 ASP H A 29 ARG HB2 1.0 . 3.94 67 67 A 31 ASP H A 29 ARG HB3 1.0 . 3.94 68 68 A 28 THR H A 29 ARG H 1.0 . 4.58 69 69 A 27 GLY H A 28 THR H 1.0 . 3.70 70 70 A 28 THR H A 28 THR HB 1.0 . 3.37 71 71 A 28 THR H A 28 THR HG2% 1.0 . 4.33 72 72 A 29 ARG H A 28 THR HA 1.0 . 3.19 73 73 A 29 ARG H A 28 THR HG2% 1.0 . 3.90 74 74 A 30 TRP HD1 A 30 TRP H 1.0 . 4.35 75 75 A 4 TYR HD% A 30 TRP H 1.0 . 5.50 76 76 A 30 TRP H A 29 ARG HA 1.0 . 3.33 77 77 A 31 ASP H A 32 GLN H 1.0 . 3.86 78 78 A 28 THR HG2% A 32 GLN H 1.0 . 4.72 79 79 A 32 GLN H A 33 ILE HB 1.0 . 5.07 80 80 A 33 ILE H A 32 GLN H 1.0 . 3.12 81 81 A 33 ILE H A 30 TRP HA 1.0 . 3.83 82 82 A 33 ILE H A 34 PRO HD2 1.0 . 4.86 83 83 A 33 ILE H A 28 THR HG2% 1.0 . 4.42 84 84 A 33 ILE H A 33 ILE HB 1.0 . 3.30 85 85 A 33 ILE H A 33 ILE HG13 1.0 . 4.15 86 86 A 33 ILE H A 33 ILE HD1% 1.0 . 4.74 87 87 A 33 ILE H A 33 ILE HG12 1.0 . 4.15 88 88 A 35 ASP H A 36 ASP H 1.0 . 3.79 89 89 A 35 ASP H A 34 PRO HA 1.0 . 3.00 90 90 A 35 ASP H A 34 PRO HB2 1.0 . 4.08 91 91 A 36 ASP H A 34 PRO HA 1.0 . 4.35 92 92 A 36 ASP H A 36 ASP HB3 1.0 . 3.97 93 93 A 36 ASP H A 36 ASP HB2 1.0 . 3.97 94 94 A 36 ASP H A 34 PRO HB2 1.0 . 3.92 95 95 A 36 ASP H A 37 TRP H 1.0 . 3.59 96 96 A 37 TRP H A 37 TRP HB2 1.0 . 3.15 97 97 A 34 PRO HB2 A 37 TRP H 1.0 . 3.99 98 98 A 37 TRP H A 33 ILE HG2% 1.0 . 4.93 99 99 A 37 TRP HD1 A 38 CYS H 1.0 . 4.02 100 100 A 38 CYS H A 37 TRP HA 1.0 . 3.15 101 101 A 37 TRP HB2 A 38 CYS H 1.0 . 4.39 102 102 A 38 CYS HA A 39 CYS H 1.0 . 3.33 103 103 A 40 PRO HD2 A 41 ASP H 1.0 . 3.92 104 104 A 41 ASP H A 40 PRO HG3 1.0 . 5.06 105 105 A 44 VAL H A 45 ARG H 1.0 . 5.50 106 106 A 45 ARG H A 43 SER H 1.0 . 4.67 107 107 A 45 ARG H A 43 SER HB3 1.0 . 5.10 108 108 A 45 ARG H A 44 VAL HB 1.0 . 4.51 109 109 A 45 ARG H A 45 ARG HB2 1.0 . 3.99 110 110 A 45 ARG H A 45 ARG HB3 1.0 . 4.08 111 111 A 46 GLU H A 46 GLU HB3 1.0 . 3.80 112 112 A 46 GLU H A 46 GLU HB2 1.0 . 3.80 113 113 A 46 GLU H A 45 ARG HA 1.0 . 3.45 114 114 A 46 GLU H A 47 LYS H 1.0 . 4.67 115 115 A 47 LYS H A 46 GLU HA 1.0 . 3.21 116 116 A 47 LYS H A 48 VAL HG1% 1.0 . 4.66 117 117 A 48 VAL HG1% A 50 PHE H 1.0 . 5.18 118 118 A 47 LYS H A 47 LYS HDx 1.0 . 5.33 119 119 A 47 LYS H A 47 LYS HDy 1.0 . 5.33 120 120 A 50 PHE H A 50 PHE HB2 1.0 . 3.29 121 121 A 4 TYR HD% A 50 PHE H 1.0 . 5.11 122 122 A 50 PHE HD% A 50 PHE H 1.0 . 3.46 123 123 A 48 VAL H A 48 VAL HB 1.0 . 3.38 124 124 A 48 VAL HG1% A 48 VAL H 1.0 . 3.22 125 125 A 46 GLU HA A 48 VAL H 1.0 . 4.99 126 126 A 48 VAL H A 49 ASP H 1.0 . 4.02 127 127 A 50 PHE HD% A 49 ASP H 1.0 . 4.46 128 128 A 48 VAL HG1% A 49 ASP H 1.0 . 3.81 129 129 A 50 PHE HA A 51 GLU H 1.0 . 3.31 130 130 A 51 GLU H A 6 CYS HA 1.0 . 5.17 131 131 A 51 GLU H A 50 PHE HB3 1.0 . 4.02 132 132 A 51 GLU H A 52 ARG H 1.0 . 5.12 133 133 A 50 PHE HD% A 51 GLU H 1.0 . 4.65 134 134 A 4 TYR HD% A 52 ARG H 1.0 . 4.76 135 135 A 52 ARG H A 51 GLU HA 1.0 . 3.06 136 136 A 52 ARG H A 52 ARG HB3 1.0 . 4.16 137 137 A 2 THR HG2% A 53 MET H 1.0 . 5.50 138 138 A 4 TYR HA A 53 MET H 1.0 . 4.18 139 139 A 53 MET H A 52 ARG HA 1.0 . 3.22 140 140 A 55 GLY H A 56 LYS H 1.0 . 5.08 141 141 A 15 GLU H A 15 GLU HG3 1.0 . 4.48 142 142 A 34 PRO HD2 A 37 TRP HB2 1.0 . 4.34 143 143 A 37 TRP HB2 A 34 PRO HD3 1.0 . 5.18 144 144 A 5 ARG HA A 50 PHE HD% 1.0 . 4.44 145 145 A 3 ALA HA A 4 TYR HB2 1.0 . 5.26 146 146 A 24 PHE HA A 24 PHE HE% 1.0 . 4.79 147 147 A 24 PHE HA A 25 PRO HD2 1.0 . 3.60 148 148 A 24 PHE HA A 25 PRO HD3 1.0 . 3.60 149 149 A 25 PRO HB3 A 24 PHE HA 1.0 . 5.34 150 150 A 3 ALA H A 2 THR HB 1.0 . 4.63 151 151 A 4 TYR HD% A 2 THR HB 1.0 . 4.69 152 152 A 3 ALA HB% A 15 GLU H 1.0 . 4.65 153 153 A 3 ALA HB% A 53 MET HA 1.0 . 5.29 154 154 A 3 ALA HB% A 2 THR HB 1.0 . 5.15 155 155 A 3 ALA HB% A 52 ARG HA 1.0 . 5.23 156 156 A 3 ALA HB% A 53 MET HB2 1.0 . 4.11 157 157 A 4 TYR HB3 A 50 PHE HD% 1.0 . 4.22 158 158 A 4 TYR HB3 A 50 PHE HB2 1.0 . 4.78 159 159 A 4 TYR HB3 A 50 PHE HB3 1.0 . 4.13 160 160 A 3 ALA H A 2 THR HG2% 1.0 . 3.86 161 161 A 2 THR HG2% A 15 GLU H 1.0 . 4.65 162 162 A 45 ARG HA A 45 ARG HD3 1.0 . 4.16 163 163 A 9 CYS H A 8 VAL HB 1.0 . 4.32 164 164 A 42 CYS HB2 A 9 CYS HB2 1.0 . 4.07 165 165 A 14 ASP HB3 A 17 LYS HA 1.0 . 5.07 166 166 A 40 PRO HD2 A 10 ASP HA 1.0 . 5.50 167 167 A 30 TRP HD1 A 15 GLU HA 1.0 . 4.72 168 168 A 25 PRO HB3 A 20 PRO HG3 1.0 . 4.13 169 169 A 26 ALA HA A 27 GLY H 1.0 . 3.38 170 170 A 29 ARG H A 28 THR HB 1.0 . 4.58 171 171 A 31 ASP H A 31 ASP HB3 1.0 . 4.18 172 172 A 32 GLN H A 32 GLN HG2 1.0 . 5.37 173 173 A 32 GLN H A 32 GLN HG3 1.0 . 5.37 174 174 A 33 ILE HB A 47 LYS HEx 1.0 . 4.55 175 175 A 33 ILE HD1% A 33 ILE HG2% 1.0 . 3.67 176 176 A 33 ILE HG2% A 33 ILE HG12 1.0 . 4.17 177 177 A 33 ILE HG2% A 34 PRO HD3 1.0 . 3.71 178 178 A 33 ILE HG2% A 37 TRP HB3 1.0 . 4.12 179 179 A 33 ILE H A 33 ILE HG2% 1.0 . 4.79 180 180 A 28 THR HG2% A 33 ILE HG12 1.0 . 4.80 181 181 A 28 THR HG2% A 33 ILE HG13 1.0 . 4.80 182 182 A 13 TYR HD% A 33 ILE HD1% 1.0 . 4.81 183 183 A 33 ILE HD1% A 24 PHE HE% 1.0 . 3.81 184 184 A 34 PRO HB2 A 35 ASP HA 1.0 . 5.08 185 185 A 37 TRP HA A 37 TRP HE1 1.0 . 5.50 186 186 A 1 MET HA A 2 THR HB 1.0 . 4.72 187 187 A 40 PRO HD2 A 43 SER H 1.0 . 4.88 188 188 A 39 CYS HA A 40 PRO HD3 1.0 . 3.73 189 189 A 40 PRO HD2 A 39 CYS HA 1.0 . 3.75 190 190 A 42 CYS H A 41 ASP HB2 1.0 . 5.08 191 191 A 42 CYS H A 41 ASP HB3 1.0 . 5.08 192 192 A 42 CYS HB3 A 9 CYS HB3 1.0 . 4.43 193 193 A 4 TYR HB3 A 52 ARG HA 1.0 . 5.30 194 194 A 4 TYR HD% A 52 ARG HA 1.0 . 4.31 195 195 A 52 ARG H A 52 ARG HB2 1.0 . 4.16 196 196 A 35 ASP H A 34 PRO HB3 1.0 . 4.23 197 197 A 22 GLU H A 22 GLU HG3 1.0 . 4.48 198 198 A 5 ARG HA A 12 THR HG2% 1.0 . 4.58 199 199 A 4 TYR HD% A 3 ALA HA 1.0 . 4.33 200 200 A 3 ALA HA A 14 ASP HA 1.0 . 3.48 201 201 A 3 ALA HA A 14 ASP HB2 1.0 . 4.64 202 202 A 3 ALA HA A 14 ASP H 1.0 . 5.50 203 203 A 50 PHE HD% A 12 THR HA 1.0 . 5.43 204 204 A 5 ARG HA A 12 THR HA 1.0 . 3.55 205 205 A 19 ASP HA A 20 PRO HD2 1.0 . 3.55 206 206 A 4 TYR HA A 52 ARG HA 1.0 . 3.78 207 207 A 4 TYR HD% A 4 TYR HA 1.0 . 4.21 208 208 A 50 PHE HA A 49 ASP HA 1.0 . 4.99 209 209 A 3 ALA HB% A 14 ASP HB3 1.0 . 4.67 210 210 A 3 ALA HB% A 14 ASP HB2 1.0 . 3.93 211 211 A 3 ALA HB% A 53 MET HB3 1.0 . 4.11 212 212 A 3 ALA HB% A 14 ASP HA 1.0 . 3.70 213 213 A 2 THR HA A 3 ALA HB% 1.0 . 4.65 214 214 A 50 PHE HD% A 4 TYR HB2 1.0 . 4.59 215 215 A 24 PHE HE% A 33 ILE HA 1.0 . 4.92 216 216 A 2 THR HA A 2 THR HG2% 1.0 . 3.57 217 217 A 29 ARG HB3 A 29 ARG HD2 1.0 . 4.20 218 218 A 8 VAL HA A 8 VAL HG2% 1.0 . 3.38 219 219 A 28 THR HG2% A 28 THR HA 1.0 . 3.31 220 220 A 28 THR HA A 24 PHE HB3 1.0 . 5.12 221 221 A 17 LYS HA A 17 LYS HD3 1.0 . 4.02 222 222 A 4 TYR HD% A 50 PHE HB2 1.0 . 4.78 223 223 A 11 TYR HA A 11 TYR HD% 1.0 . 4.20 224 224 A 13 TYR HD% A 13 TYR HA 1.0 . 3.85 225 225 A 20 PRO HA A 25 PRO HA 1.0 . 3.89 226 226 A 28 THR HB A 24 PHE HB3 1.0 . 4.01 227 227 A 28 THR HG2% A 24 PHE HB3 1.0 . 3.98 228 228 A 29 ARG HD2 A 29 ARG HB2 1.0 . 4.20 229 229 A 29 ARG HB3 A 29 ARG HD3 1.0 . 4.20 230 230 A 29 ARG HB2 A 29 ARG HD3 1.0 . 4.20 231 231 A 4 TYR HD% A 30 TRP HB2 1.0 . 4.44 232 232 A 4 TYR HD% A 30 TRP HB3 1.0 . 4.44 233 233 A 33 ILE HB A 47 LYS HEy 1.0 . 4.55 234 234 A 34 PRO HA A 33 ILE HG2% 1.0 . 5.10 235 235 A 33 ILE HG2% A 35 ASP HA 1.0 . 5.50 236 236 A 33 ILE HG2% A 33 ILE HA 1.0 . 3.78 237 237 A 37 TRP HB2 A 33 ILE HG2% 1.0 . 3.95 238 238 A 34 PRO HB2 A 33 ILE HG2% 1.0 . 4.58 239 239 A 33 ILE HG2% A 33 ILE HG13 1.0 . 4.17 240 240 A 30 TRP HA A 33 ILE HG12 1.0 . 5.23 241 241 A 30 TRP HA A 33 ILE HG13 1.0 . 5.23 242 242 A 30 TRP HA A 33 ILE HD1% 1.0 . 4.10 243 243 A 34 PRO HD2 A 33 ILE HD1% 1.0 . 5.12 244 244 A 33 ILE HD1% A 33 ILE HA 1.0 . 4.40 245 245 A 33 ILE HD1% A 24 PHE HB3 1.0 . 5.18 246 246 A 33 ILE HB A 33 ILE HD1% 1.0 . 3.80 247 247 A 37 TRP HD1 A 37 TRP HA 1.0 . 4.26 248 248 A 34 PRO HB2 A 37 TRP HB2 1.0 . 4.53 249 249 A 50 PHE HA A 6 CYS HA 1.0 . 4.99 250 250 A 50 PHE HD% A 50 PHE HA 1.0 . 4.34 251 251 A 42 CYS HB2 A 9 CYS HB3 1.0 . 4.07 252 252 A 45 ARG HA A 45 ARG HD2 1.0 . 4.16 253 253 A 47 LYS HA A 47 LYS HDy 1.0 . 4.65 254 254 A 47 LYS HA A 48 VAL HA 1.0 . 5.24 255 255 A 50 PHE HB2 A 47 LYS HA 1.0 . 5.50 256 256 A 50 PHE HD% A 47 LYS HA 1.0 . 4.33 257 257 A 47 LYS HA A 50 PHE HE% 1.0 . 4.58 258 258 A 50 PHE HB2 A 51 GLU HA 1.0 . 5.23 259 259 A 24 PHE HD% A 34 PRO HD3 1.0 . 5.50 260 260 A 24 PHE HD% A 28 THR HG2% 1.0 . 4.00 261 261 A 24 PHE HD% A 33 ILE HD1% 1.0 . 5.25 262 262 A 28 THR HG2% A 24 PHE HA 1.0 . 4.69 263 263 A 13 TYR HD% A 22 GLU HG3 1.0 . 5.17 264 264 A 13 TYR HD% A 22 GLU HG2 1.0 . 5.17 265 265 A 37 TRP HD1 A 39 CYS HA 1.0 . 5.26 266 266 A 43 SER H A 39 CYS HA 1.0 . 5.50 267 267 A 30 TRP HD1 A 30 TRP HA 1.0 . 4.35 268 268 A 2 THR HB A 30 TRP HD1 1.0 . 3.98 269 269 A 34 PRO HD3 A 24 PHE HE% 1.0 . 4.55 270 270 A 30 TRP HD1 A 15 GLU HG2 1.0 . 3.75 271 271 A 4 TYR HD% A 50 PHE HB3 1.0 . 4.07 272 272 A 30 TRP HD1 A 15 GLU HG3 1.0 . 3.75 273 273 A 30 TRP HD1 A 15 GLU HB3 1.0 . 4.93 274 274 A 30 TRP HD1 A 15 GLU HB2 1.0 . 4.93 275 275 A 4 TYR HD% A 2 THR HG2% 1.0 . 3.69 276 276 A 28 THR HG2% A 24 PHE HE% 1.0 . 4.69 277 277 A 33 ILE HG2% A 37 TRP HD1 1.0 . 5.31 278 278 A 33 ILE HG2% A 24 PHE HE% 1.0 . 4.41 279 279 A 3 ALA HA A 2 THR HG2% 1.0 . 4.45 280 280 A 12 THR HG2% A 12 THR HA 1.0 . 3.58 281 281 A 42 CYS HB2 A 43 SER H 1.0 . 5.24 282 282 A 43 SER H A 42 CYS HB3 1.0 . 5.46 283 283 A 4 TYR HD% A 50 PHE HE% 1.0 . 5.07 284 284 A 4 TYR HD% A 30 TRP HD1 1.0 . 4.47 285 285 A 24 PHE HD% A 24 PHE HA 1.0 . 3.81 286 286 A 4 TYR HD% A 50 PHE HD% 1.0 . 3.83 287 287 A 24 PHE H A 24 PHE HE% 1.0 . 5.20 288 288 A 42 CYS HB2 A 9 CYS HA 1.0 . 4.41 289 289 A 20 PRO HG3 A 19 ASP HA 1.0 . 4.78 290 290 A 37 TRP HB2 A 36 ASP HA 1.0 . 5.50 291 291 A 48 VAL HG1% A 48 VAL HA 1.0 . 3.24 292 292 A 8 VAL HA A 8 VAL HG1% 1.0 . 3.38 293 293 A 10 ASP HA A 40 PRO HG2 1.0 . 4.78 294 294 A 17 LYS HG3 A 17 LYS HA 1.0 . 3.21 295 295 A 17 LYS HA A 17 LYS HD2 1.0 . 4.02 296 296 A 34 PRO HD2 A 33 ILE HA 1.0 . 3.40 297 297 A 33 ILE HB A 30 TRP HA 1.0 . 4.69 298 298 A 47 LYS HA A 47 LYS HDx 1.0 . 4.65 299 299 A 33 ILE HB A 34 PRO HD2 1.0 . 4.94 300 300 A 34 PRO HD2 A 33 ILE HG2% 1.0 . 4.12 301 301 A 33 ILE HA A 33 ILE HG13 1.0 . 4.25 302 302 A 33 ILE HA A 33 ILE HG12 1.0 . 4.25 303 303 A 34 PRO HD3 A 33 ILE HA 1.0 . 3.56 304 304 A 42 CYS HB3 A 9 CYS HB2 1.0 . 4.43 305 305 A 28 THR HG2% A 33 ILE HD1% 1.0 . 4.13 306 306 A 3 ALA HB% A 2 THR HG2% 1.0 . 4.02 307 307 A 1 MET HE% A 1 MET HBx 1.0 . 3.74 308 307 A 1 MET HB3 A 1 MET HE% 1.0 . 3.74 309 308 A 2 THR H A 1 MET HBx 1.0 . 3.61 310 308 A 2 THR H A 1 MET HB3 1.0 . 3.61 311 309 A 16 GLY H A 1 MET HBx 1.0 . 4.39 312 309 A 16 GLY H A 1 MET HB3 1.0 . 4.39 313 310 A 1 MET HB3 A 16 GLY HAx 1.0 . 4.92 314 310 A 1 MET HBx A 16 GLY HAx 1.0 . 4.92 315 310 A 16 GLY HA3 A 1 MET HBx 1.0 . 4.92 316 310 A 1 MET HB3 A 16 GLY HA3 1.0 . 4.92 317 311 A 2 THR HB A 15 GLU HG3 1.0 . 4.55 318 311 A 2 THR HB A 15 GLU HG2 1.0 . 4.55 319 312 A 2 THR HG2% A 15 GLU HG3 1.0 . 4.50 320 312 A 2 THR HG2% A 15 GLU HG2 1.0 . 4.50 321 313 A 2 THR HG2% A 52 ARG HB2 1.0 . 4.51 322 313 A 2 THR HG2% A 52 ARG HB3 1.0 . 4.51 323 314 A 4 TYR HB2 A 30 TRP HB2 1.0 . 4.73 324 314 A 4 TYR HB2 A 30 TRP HB3 1.0 . 4.73 325 315 A 4 TYR HD% A 52 ARG HB2 1.0 . 4.27 326 315 A 4 TYR HD% A 52 ARG HB3 1.0 . 4.27 327 316 A 5 ARG H A 5 ARG HB2 1.0 . 3.53 328 316 A 5 ARG H A 5 ARG HB3 1.0 . 3.53 329 317 A 5 ARG HB3 A 5 ARG HD2 1.0 . 2.99 330 317 A 5 ARG HB2 A 5 ARG HD2 1.0 . 2.99 331 317 A 5 ARG HD3 A 5 ARG HB2 1.0 . 2.99 332 317 A 5 ARG HB3 A 5 ARG HD3 1.0 . 2.99 333 318 A 5 ARG HB3 A 53 MET HB2 1.0 . 4.58 334 318 A 5 ARG HB2 A 53 MET HB2 1.0 . 4.58 335 318 A 53 MET HB3 A 5 ARG HB2 1.0 . 4.58 336 318 A 5 ARG HB3 A 53 MET HB3 1.0 . 4.58 337 319 A 5 ARG HB2 A 53 MET HGx 1.0 . 3.52 338 319 A 5 ARG HB3 A 53 MET HGx 1.0 . 3.52 339 319 A 53 MET HG3 A 5 ARG HB2 1.0 . 3.52 340 319 A 5 ARG HB3 A 53 MET HG3 1.0 . 3.52 341 320 A 6 CYS H A 5 ARG HD2 1.0 . 4.41 342 320 A 6 CYS H A 5 ARG HD3 1.0 . 4.41 343 321 A 5 ARG HD2 A 7 PRO HDx 1.0 . 3.87 344 321 A 5 ARG HD3 A 7 PRO HDx 1.0 . 3.87 345 321 A 7 PRO HD3 A 5 ARG HD2 1.0 . 3.87 346 321 A 5 ARG HD3 A 7 PRO HD3 1.0 . 3.87 347 322 A 12 THR HG2% A 5 ARG HD2 1.0 . 3.66 348 322 A 12 THR HG2% A 5 ARG HD3 1.0 . 3.66 349 323 A 9 CYS H A 8 VAL HG2% 1.0 . 3.92 350 323 A 9 CYS H A 8 VAL HG1% 1.0 . 3.92 351 324 A 45 ARG HA A 8 VAL HG2% 1.0 . 5.44 352 324 A 45 ARG HA A 8 VAL HG1% 1.0 . 5.44 353 325 A 45 ARG HB3 A 8 VAL HG2% 1.0 . 3.99 354 325 A 45 ARG HB3 A 8 VAL HG1% 1.0 . 3.99 355 326 A 8 VAL HG2% A 45 ARG HGx 1.0 . 3.36 356 326 A 8 VAL HG1% A 45 ARG HGx 1.0 . 3.36 357 326 A 45 ARG HG3 A 8 VAL HG2% 1.0 . 3.36 358 326 A 8 VAL HG1% A 45 ARG HG3 1.0 . 3.36 359 327 A 8 VAL HG2% A 45 ARG HD3 1.0 . 4.15 360 327 A 8 VAL HG1% A 45 ARG HD3 1.0 . 4.15 361 327 A 45 ARG HD2 A 8 VAL HG2% 1.0 . 4.15 362 327 A 8 VAL HG1% A 45 ARG HD2 1.0 . 4.15 363 328 A 8 VAL HG2% A 49 ASP HBx 1.0 . 5.07 364 328 A 8 VAL HG1% A 49 ASP HBx 1.0 . 5.07 365 328 A 49 ASP HB3 A 8 VAL HG2% 1.0 . 5.07 366 328 A 8 VAL HG1% A 49 ASP HB3 1.0 . 5.07 367 329 A 9 CYS H A 9 CYS HB3 1.0 . 3.70 368 329 A 9 CYS H A 9 CYS HB2 1.0 . 3.70 369 330 A 10 ASP H A 9 CYS HB3 1.0 . 4.32 370 330 A 10 ASP H A 9 CYS HB2 1.0 . 4.32 371 331 A 42 CYS H A 9 CYS HB3 1.0 . 4.71 372 331 A 42 CYS H A 9 CYS HB2 1.0 . 4.71 373 332 A 42 CYS HA A 9 CYS HB3 1.0 . 4.07 374 332 A 9 CYS HB2 A 42 CYS HA 1.0 . 4.07 375 333 A 42 CYS HB2 A 9 CYS HB3 1.0 . 3.34 376 333 A 42 CYS HB2 A 9 CYS HB2 1.0 . 3.34 377 334 A 42 CYS HB3 A 9 CYS HB3 1.0 . 3.62 378 334 A 42 CYS HB3 A 9 CYS HB2 1.0 . 3.62 379 335 A 40 PRO HD2 A 10 ASP HBx 1.0 . 4.09 380 335 A 40 PRO HD2 A 10 ASP HB3 1.0 . 4.09 381 336 A 12 THR H A 11 TYR HB2 1.0 . 4.27 382 336 A 12 THR H A 11 TYR HB3 1.0 . 4.27 383 337 A 13 TYR H A 13 TYR HB2 1.0 . 3.52 384 337 A 13 TYR H A 13 TYR HB3 1.0 . 3.52 385 338 A 13 TYR HD% A 22 GLU HB3 1.0 . 4.55 386 338 A 13 TYR HD% A 22 GLU HB2 1.0 . 4.55 387 339 A 13 TYR HD% A 22 GLU HG3 1.0 . 4.32 388 339 A 13 TYR HD% A 22 GLU HG2 1.0 . 4.32 389 340 A 14 ASP H A 17 LYS HD3 1.0 . 4.69 390 340 A 14 ASP H A 17 LYS HD2 1.0 . 4.69 391 341 A 14 ASP HB2 A 17 LYS HD3 1.0 . 4.73 392 341 A 14 ASP HB2 A 17 LYS HD2 1.0 . 4.73 393 342 A 14 ASP HB3 A 17 LYS HBx 1.0 . 4.46 394 342 A 14 ASP HB3 A 17 LYS HB3 1.0 . 4.46 395 343 A 14 ASP HB3 A 17 LYS HD3 1.0 . 4.08 396 343 A 14 ASP HB3 A 17 LYS HD2 1.0 . 4.08 397 344 A 15 GLU H A 15 GLU HG3 1.0 . 3.74 398 344 A 15 GLU H A 15 GLU HG2 1.0 . 3.74 399 345 A 15 GLU HA A 15 GLU HG3 1.0 . 3.62 400 345 A 15 GLU HA A 15 GLU HG2 1.0 . 3.62 401 346 A 30 TRP HD1 A 15 GLU HB3 1.0 . 4.33 402 346 A 30 TRP HD1 A 15 GLU HB2 1.0 . 4.33 403 347 A 29 ARG HA A 15 GLU HG3 1.0 . 3.53 404 347 A 29 ARG HA A 15 GLU HG2 1.0 . 3.53 405 348 A 30 TRP HD1 A 15 GLU HG3 1.0 . 3.21 406 348 A 30 TRP HD1 A 15 GLU HG2 1.0 . 3.21 407 349 A 17 LYS H A 17 LYS HD3 1.0 . 4.25 408 349 A 17 LYS H A 17 LYS HD2 1.0 . 4.25 409 350 A 17 LYS HA A 17 LYS HD3 1.0 . 3.16 410 350 A 17 LYS HA A 17 LYS HD2 1.0 . 3.16 411 351 A 18 GLY H A 17 LYS HBx 1.0 . 3.93 412 351 A 18 GLY H A 17 LYS HB3 1.0 . 3.93 413 352 A 17 LYS HG3 A 17 LYS HD3 1.0 . 2.53 414 352 A 17 LYS HG3 A 17 LYS HD2 1.0 . 2.53 415 353 A 19 ASP H A 18 GLY HAx 1.0 . 2.95 416 353 A 18 GLY HA3 A 19 ASP H 1.0 . 2.95 417 354 A 26 ALA HA A 18 GLY HAx 1.0 . 3.52 418 354 A 26 ALA HA A 18 GLY HA3 1.0 . 3.52 419 355 A 26 ALA HB% A 18 GLY HAx 1.0 . 4.20 420 355 A 26 ALA HB% A 18 GLY HA3 1.0 . 4.20 421 356 A 27 GLY H A 18 GLY HAx 1.0 . 4.43 422 356 A 27 GLY H A 18 GLY HA3 1.0 . 4.43 423 357 A 19 ASP HA A 21 ARG HBx 1.0 . 4.47 424 357 A 19 ASP HA A 21 ARG HB3 1.0 . 4.47 425 358 A 19 ASP HA A 21 ARG HDx 1.0 . 4.47 426 358 A 19 ASP HA A 21 ARG HD3 1.0 . 4.47 427 359 A 20 PRO HA A 25 PRO HD3 1.0 . 4.27 428 359 A 20 PRO HA A 25 PRO HD2 1.0 . 4.27 429 360 A 25 PRO HA A 20 PRO HB2 1.0 . 3.72 430 360 A 25 PRO HA A 20 PRO HB3 1.0 . 3.72 431 361 A 25 PRO HB3 A 20 PRO HB2 1.0 . 2.95 432 361 A 25 PRO HB3 A 20 PRO HB3 1.0 . 2.95 433 362 A 20 PRO HD2 A 21 ARG HBx 1.0 . 4.30 434 362 A 20 PRO HD2 A 21 ARG HB3 1.0 . 4.30 435 363 A 21 ARG H A 21 ARG HBx 1.0 . 3.15 436 363 A 21 ARG H A 21 ARG HB3 1.0 . 3.15 437 364 A 21 ARG H A 21 ARG HGx 1.0 . 3.71 438 364 A 21 ARG H A 21 ARG HG3 1.0 . 3.71 439 365 A 21 ARG HA A 21 ARG HGx 1.0 . 3.51 440 365 A 21 ARG HG3 A 21 ARG HA 1.0 . 3.51 441 366 A 21 ARG HB3 A 21 ARG HDx 1.0 . 3.24 442 366 A 21 ARG HBx A 21 ARG HDx 1.0 . 3.24 443 366 A 21 ARG HD3 A 21 ARG HBx 1.0 . 3.24 444 366 A 21 ARG HB3 A 21 ARG HD3 1.0 . 3.24 445 367 A 22 GLU H A 21 ARG HGx 1.0 . 5.34 446 367 A 22 GLU H A 21 ARG HG3 1.0 . 5.34 447 368 A 22 GLU H A 21 ARG HDx 1.0 . 4.81 448 368 A 22 GLU H A 21 ARG HD3 1.0 . 4.81 449 369 A 22 GLU H A 22 GLU HB3 1.0 . 3.41 450 369 A 22 GLU H A 22 GLU HB2 1.0 . 3.41 451 370 A 22 GLU H A 22 GLU HG3 1.0 . 3.94 452 370 A 22 GLU H A 22 GLU HG2 1.0 . 3.94 453 371 A 22 GLU HA A 22 GLU HG3 1.0 . 3.08 454 371 A 22 GLU HG2 A 22 GLU HA 1.0 . 3.08 455 372 A 23 GLY H A 22 GLU HB3 1.0 . 4.13 456 372 A 23 GLY H A 22 GLU HB2 1.0 . 4.13 457 373 A 24 PHE H A 22 GLU HB3 1.0 . 4.09 458 373 A 24 PHE H A 22 GLU HB2 1.0 . 4.09 459 374 A 24 PHE HD% A 22 GLU HB3 1.0 . 4.75 460 374 A 24 PHE HD% A 22 GLU HB2 1.0 . 4.75 461 375 A 24 PHE HE% A 22 GLU HB3 1.0 . 5.34 462 375 A 24 PHE HE% A 22 GLU HB2 1.0 . 5.34 463 376 A 33 ILE HD1% A 22 GLU HB3 1.0 . 5.34 464 376 A 33 ILE HD1% A 22 GLU HB2 1.0 . 5.34 465 377 A 24 PHE HD% A 22 GLU HG3 1.0 . 5.34 466 377 A 24 PHE HD% A 22 GLU HG2 1.0 . 5.34 467 378 A 24 PHE HA A 23 GLY HA2 1.0 . 4.88 468 378 A 24 PHE HA A 23 GLY HA3 1.0 . 4.88 469 379 A 24 PHE HA A 25 PRO HGx 1.0 . 4.42 470 379 A 24 PHE HA A 25 PRO HG3 1.0 . 4.42 471 380 A 24 PHE HB2 A 25 PRO HD3 1.0 . 4.68 472 380 A 25 PRO HD2 A 24 PHE HB2 1.0 . 4.68 473 381 A 24 PHE HD% A 25 PRO HD3 1.0 . 4.99 474 381 A 24 PHE HD% A 25 PRO HD2 1.0 . 4.99 475 382 A 24 PHE HE% A 33 ILE HG13 1.0 . 4.91 476 382 A 24 PHE HE% A 33 ILE HG12 1.0 . 4.91 477 383 A 26 ALA HA A 27 GLY HA2 1.0 . 4.36 478 383 A 26 ALA HA A 27 GLY HA3 1.0 . 4.36 479 384 A 26 ALA HB% A 27 GLY HA2 1.0 . 4.31 480 384 A 26 ALA HB% A 27 GLY HA3 1.0 . 4.31 481 385 A 28 THR HA A 27 GLY HA2 1.0 . 4.32 482 385 A 28 THR HA A 27 GLY HA3 1.0 . 4.32 483 386 A 28 THR HA A 29 ARG HB2 1.0 . 4.75 484 386 A 28 THR HA A 29 ARG HB3 1.0 . 4.75 485 387 A 28 THR HA A 32 GLN HBx 1.0 . 4.37 486 387 A 28 THR HA A 32 GLN HB3 1.0 . 4.37 487 388 A 28 THR HG2% A 32 GLN HBx 1.0 . 3.35 488 388 A 28 THR HG2% A 32 GLN HB3 1.0 . 3.35 489 389 A 28 THR HG2% A 33 ILE HG13 1.0 . 4.09 490 389 A 28 THR HG2% A 33 ILE HG12 1.0 . 4.09 491 390 A 29 ARG H A 29 ARG HB2 1.0 . 3.23 492 390 A 29 ARG H A 29 ARG HB3 1.0 . 3.23 493 391 A 29 ARG H A 29 ARG HD3 1.0 . 4.72 494 391 A 29 ARG H A 29 ARG HD2 1.0 . 4.72 495 392 A 29 ARG HA A 29 ARG HGx 1.0 . 3.60 496 392 A 29 ARG HA A 29 ARG HG3 1.0 . 3.60 497 393 A 29 ARG HA A 29 ARG HD3 1.0 . 3.95 498 393 A 29 ARG HA A 29 ARG HD2 1.0 . 3.95 499 394 A 29 ARG HA A 30 TRP HB2 1.0 . 4.72 500 394 A 29 ARG HA A 30 TRP HB3 1.0 . 4.72 501 395 A 29 ARG HB3 A 29 ARG HD3 1.0 . 3.15 502 395 A 29 ARG HB2 A 29 ARG HD3 1.0 . 3.15 503 395 A 29 ARG HD2 A 29 ARG HB2 1.0 . 3.15 504 395 A 29 ARG HB3 A 29 ARG HD2 1.0 . 3.15 505 396 A 30 TRP H A 29 ARG HB2 1.0 . 3.78 506 396 A 30 TRP H A 29 ARG HB3 1.0 . 3.78 507 397 A 31 ASP H A 29 ARG HB2 1.0 . 3.40 508 397 A 31 ASP H A 29 ARG HB3 1.0 . 3.40 509 398 A 30 TRP H A 30 TRP HB2 1.0 . 3.07 510 398 A 30 TRP H A 30 TRP HB3 1.0 . 3.07 511 399 A 30 TRP HA A 33 ILE HG13 1.0 . 4.58 512 399 A 30 TRP HA A 33 ILE HG12 1.0 . 4.58 513 400 A 30 TRP HD1 A 30 TRP HB2 1.0 . 3.38 514 400 A 30 TRP HD1 A 30 TRP HB3 1.0 . 3.38 515 401 A 33 ILE HD1% A 30 TRP HB2 1.0 . 5.25 516 401 A 33 ILE HD1% A 30 TRP HB3 1.0 . 5.25 517 402 A 31 ASP H A 31 ASP HB3 1.0 . 3.32 518 402 A 31 ASP H A 31 ASP HB2 1.0 . 3.32 519 403 A 32 GLN H A 31 ASP HB3 1.0 . 4.44 520 403 A 32 GLN H A 31 ASP HB2 1.0 . 4.44 521 404 A 32 GLN H A 32 GLN HBx 1.0 . 3.69 522 404 A 32 GLN H A 32 GLN HB3 1.0 . 3.69 523 405 A 32 GLN H A 32 GLN HG2 1.0 . 4.52 524 405 A 32 GLN H A 32 GLN HG3 1.0 . 4.52 525 406 A 32 GLN H A 32 GLN HE22 1.0 . 4.51 526 406 A 32 GLN H A 32 GLN HE21 1.0 . 4.51 527 407 A 32 GLN HA A 32 GLN HG2 1.0 . 3.74 528 407 A 32 GLN HG3 A 32 GLN HA 1.0 . 3.74 529 408 A 32 GLN HA A 32 GLN HE22 1.0 . 4.88 530 408 A 32 GLN HE21 A 32 GLN HA 1.0 . 4.88 531 409 A 32 GLN HB3 A 32 GLN HG2 1.0 . 2.37 532 409 A 32 GLN HBx A 32 GLN HG2 1.0 . 2.37 533 409 A 32 GLN HG3 A 32 GLN HBx 1.0 . 2.37 534 409 A 32 GLN HB3 A 32 GLN HG3 1.0 . 2.37 535 410 A 33 ILE HA A 32 GLN HBx 1.0 . 4.60 536 410 A 33 ILE HA A 32 GLN HB3 1.0 . 4.60 537 411 A 33 ILE HD1% A 32 GLN HBx 1.0 . 5.23 538 411 A 33 ILE HD1% A 32 GLN HB3 1.0 . 5.23 539 412 A 33 ILE H A 33 ILE HG13 1.0 . 3.61 540 412 A 33 ILE H A 33 ILE HG12 1.0 . 3.61 541 413 A 33 ILE HG2% A 34 PRO HGx 1.0 . 4.65 542 413 A 33 ILE HG2% A 34 PRO HG3 1.0 . 4.65 543 414 A 33 ILE HG2% A 47 LYS HG2 1.0 . 5.34 544 414 A 33 ILE HG2% A 47 LYS HG3 1.0 . 5.34 545 415 A 33 ILE HG2% A 47 LYS HEy 1.0 . 3.86 546 415 A 33 ILE HG2% A 47 LYS HEx 1.0 . 3.86 547 416 A 35 ASP H A 35 ASP HB2 1.0 . 3.14 548 416 A 35 ASP H A 35 ASP HB3 1.0 . 3.14 549 417 A 35 ASP HA A 47 LYS HDy 1.0 . 4.13 550 417 A 35 ASP HA A 47 LYS HDx 1.0 . 4.13 551 418 A 35 ASP HA A 47 LYS HEy 1.0 . 4.13 552 418 A 35 ASP HA A 47 LYS HEx 1.0 . 4.13 553 419 A 36 ASP H A 36 ASP HB3 1.0 . 3.29 554 419 A 36 ASP H A 36 ASP HB2 1.0 . 3.29 555 420 A 37 TRP H A 36 ASP HB3 1.0 . 4.41 556 420 A 37 TRP H A 36 ASP HB2 1.0 . 4.41 557 421 A 37 TRP HB2 A 47 LYS HEy 1.0 . 4.90 558 421 A 37 TRP HB2 A 47 LYS HEx 1.0 . 4.90 559 422 A 38 CYS H A 38 CYS HB2 1.0 . 3.62 560 422 A 38 CYS H A 38 CYS HB3 1.0 . 3.62 561 423 A 39 CYS H A 39 CYS HBx 1.0 . 3.13 562 423 A 39 CYS H A 39 CYS HB3 1.0 . 3.13 563 424 A 43 SER H A 39 CYS HBx 1.0 . 3.63 564 424 A 43 SER H A 39 CYS HB3 1.0 . 3.63 565 425 A 41 ASP H A 41 ASP HB3 1.0 . 3.27 566 425 A 41 ASP H A 41 ASP HB2 1.0 . 3.27 567 426 A 42 CYS H A 41 ASP HB3 1.0 . 4.31 568 426 A 42 CYS H A 41 ASP HB2 1.0 . 4.31 569 427 A 45 ARG H A 44 VAL HG11 1.0 . 4.25 570 427 A 45 ARG H A 44 VAL HG2% 1.0 . 4.25 571 428 A 45 ARG H A 45 ARG HGx 1.0 . 4.83 572 428 A 45 ARG H A 45 ARG HG3 1.0 . 4.83 573 429 A 45 ARG HA A 45 ARG HD3 1.0 . 3.63 574 429 A 45 ARG HA A 45 ARG HD2 1.0 . 3.63 575 430 A 45 ARG HB2 A 49 ASP HBx 1.0 . 4.68 576 430 A 45 ARG HB2 A 49 ASP HB3 1.0 . 4.68 577 431 A 45 ARG HB3 A 45 ARG HD3 1.0 . 3.69 578 431 A 45 ARG HB3 A 45 ARG HD2 1.0 . 3.69 579 432 A 45 ARG HB3 A 49 ASP HBx 1.0 . 3.74 580 432 A 45 ARG HB3 A 49 ASP HB3 1.0 . 3.74 581 433 A 46 GLU H A 45 ARG HD3 1.0 . 4.92 582 433 A 46 GLU H A 45 ARG HD2 1.0 . 4.92 583 434 A 46 GLU H A 49 ASP HBx 1.0 . 4.13 584 434 A 46 GLU H A 49 ASP HB3 1.0 . 4.13 585 435 A 47 LYS H A 46 GLU HB3 1.0 . 3.43 586 435 A 47 LYS H A 46 GLU HB2 1.0 . 3.43 587 436 A 48 VAL HG1% A 46 GLU HB3 1.0 . 3.02 588 436 A 48 VAL HG1% A 46 GLU HB2 1.0 . 3.02 589 437 A 47 LYS H A 47 LYS HB2 1.0 . 3.14 590 437 A 47 LYS H A 47 LYS HB3 1.0 . 3.14 591 438 A 47 LYS H A 47 LYS HDy 1.0 . 4.62 592 438 A 47 LYS H A 47 LYS HDx 1.0 . 4.62 593 439 A 47 LYS HA A 47 LYS HDy 1.0 . 3.88 594 439 A 47 LYS HA A 47 LYS HDx 1.0 . 3.88 595 440 A 48 VAL HB A 47 LYS HB2 1.0 . 4.41 596 440 A 48 VAL HB A 47 LYS HB3 1.0 . 4.41 597 441 A 50 PHE HD% A 47 LYS HB2 1.0 . 5.34 598 441 A 50 PHE HD% A 47 LYS HB3 1.0 . 5.34 599 442 A 47 LYS HEx A 47 LYS HG2 1.0 . 3.11 600 442 A 47 LYS HEy A 47 LYS HG2 1.0 . 3.11 601 442 A 47 LYS HG3 A 47 LYS HEy 1.0 . 3.11 602 442 A 47 LYS HG3 A 47 LYS HEx 1.0 . 3.11 603 443 A 48 VAL H A 47 LYS HG2 1.0 . 5.07 604 443 A 48 VAL H A 47 LYS HG3 1.0 . 5.07 605 444 A 49 ASP H A 49 ASP HBx 1.0 . 3.26 606 444 A 49 ASP H A 49 ASP HB3 1.0 . 3.26 607 445 A 50 PHE H A 49 ASP HBx 1.0 . 3.49 608 445 A 50 PHE H A 49 ASP HB3 1.0 . 3.49 609 446 A 50 PHE HA A 51 GLU HG2 1.0 . 4.48 610 446 A 50 PHE HA A 51 GLU HG3 1.0 . 4.48 611 447 A 50 PHE HB3 A 51 GLU HG2 1.0 . 5.21 612 447 A 50 PHE HB3 A 51 GLU HG3 1.0 . 5.21 613 448 A 51 GLU H A 51 GLU HB2 1.0 . 3.39 614 448 A 51 GLU H A 51 GLU HB3 1.0 . 3.39 615 449 A 51 GLU H A 51 GLU HG2 1.0 . 3.94 616 449 A 51 GLU H A 51 GLU HG3 1.0 . 3.94 617 450 A 51 GLU HA A 51 GLU HG2 1.0 . 3.44 618 450 A 51 GLU HA A 51 GLU HG3 1.0 . 3.44 619 451 A 51 GLU HB2 A 51 GLU HG2 1.0 . 2.23 620 451 A 51 GLU HB3 A 51 GLU HG2 1.0 . 2.23 621 451 A 51 GLU HG3 A 51 GLU HB2 1.0 . 2.23 622 451 A 51 GLU HG3 A 51 GLU HB3 1.0 . 2.23 623 452 A 52 ARG H A 51 GLU HB2 1.0 . 4.43 624 452 A 52 ARG H A 51 GLU HB3 1.0 . 4.43 625 453 A 52 ARG H A 51 GLU HG2 1.0 . 5.34 626 453 A 52 ARG H A 51 GLU HG3 1.0 . 5.34 627 454 A 52 ARG H A 52 ARG HB2 1.0 . 3.49 628 454 A 52 ARG H A 52 ARG HB3 1.0 . 3.49 629 455 A 52 ARG H A 52 ARG HG2 1.0 . 4.65 630 455 A 52 ARG H A 52 ARG HG3 1.0 . 4.65 631 456 A 52 ARG HA A 52 ARG HG2 1.0 . 3.73 632 456 A 52 ARG HA A 52 ARG HG3 1.0 . 3.73 633 457 A 52 ARG HA A 53 MET HGx 1.0 . 5.34 634 457 A 52 ARG HA A 53 MET HG3 1.0 . 5.34 635 458 A 52 ARG HB2 A 52 ARG HDx 1.0 . 2.99 636 458 A 52 ARG HB3 A 52 ARG HDx 1.0 . 2.99 637 458 A 52 ARG HD3 A 52 ARG HB2 1.0 . 2.99 638 458 A 52 ARG HB3 A 52 ARG HD3 1.0 . 2.99 639 459 A 53 MET H A 52 ARG HG2 1.0 . 4.29 640 459 A 53 MET H A 52 ARG HG3 1.0 . 4.29 641 460 A 53 MET H A 53 MET HB2 1.0 . 3.41 642 460 A 53 MET H A 53 MET HB3 1.0 . 3.41 643 461 A 53 MET H A 53 MET HGx 1.0 . 3.78 644 461 A 53 MET H A 53 MET HG3 1.0 . 3.78 645 462 A 53 MET HA A 53 MET HGx 1.0 . 3.42 646 462 A 53 MET HA A 53 MET HG3 1.0 . 3.42 647 463 A 53 MET HA A 54 GLY HAx 1.0 . 4.52 648 463 A 53 MET HA A 54 GLY HA3 1.0 . 4.52 649 464 A 53 MET HB2 A 53 MET HGx 1.0 . 2.29 650 464 A 53 MET HG3 A 53 MET HB2 1.0 . 2.29 651 464 A 53 MET HB3 A 53 MET HG3 1.0 . 2.29 652 464 A 53 MET HB3 A 53 MET HGx 1.0 . 2.29 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _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 1 MET C A 2 THR N A 2 THR CA A 2 THR C 1.0 -137.4 -91.9 PHI 2 2 A 2 THR N A 2 THR CA A 2 THR C A 3 ALA N 1.0 110.6 155.0 PSI 3 3 A 2 THR C A 3 ALA N A 3 ALA CA A 3 ALA C 1.0 -158.1 -104.0 PHI 4 4 A 3 ALA N A 3 ALA CA A 3 ALA C A 4 TYR N 1.0 115.7 183.3 PSI 5 5 A 3 ALA C A 4 TYR N A 4 TYR CA A 4 TYR C 1.0 -151.7 -111.7 PHI 6 6 A 4 TYR N A 4 TYR CA A 4 TYR C A 5 ARG N 1.0 105.1 166.7 PSI 7 7 A 4 TYR C A 5 ARG N A 5 ARG CA A 5 ARG C 1.0 -159.1 -102.0 PHI 8 8 A 5 ARG N A 5 ARG CA A 5 ARG C A 6 CYS N 1.0 103.5 156.9 PSI 9 9 A 5 ARG C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -152.6 -64.6 PHI 10 10 A 6 CYS N A 6 CYS CA A 6 CYS C A 7 PRO N 1.0 90.8 154.2 PSI 11 11 A 7 PRO C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -81.8 -41.5 PHI 12 12 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 CYS N 1.0 -53.6 -13.6 PSI 13 13 A 8 VAL C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -117.5 -42.7 PHI 14 14 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 ASP N 1.0 -57.3 2.0 PSI 15 15 A 9 CYS C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -155.2 -24.3 PHI 16 16 A 10 ASP N A 10 ASP CA A 10 ASP C A 11 TYR N 1.0 95.7 159.8 PSI 17 17 A 10 ASP C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -160.0 -40.1 PHI 18 18 A 11 TYR N A 11 TYR CA A 11 TYR C A 12 THR N 1.0 97.5 155.8 PSI 19 19 A 11 TYR C A 12 THR N A 12 THR CA A 12 THR C 1.0 -149.0 -109.0 PHI 20 20 A 12 THR N A 12 THR CA A 12 THR C A 13 TYR N 1.0 105.4 162.8 PSI 21 21 A 12 THR C A 13 TYR N A 13 TYR CA A 13 TYR C 1.0 -148.0 -79.4 PHI 22 22 A 13 TYR N A 13 TYR CA A 13 TYR C A 14 ASP N 1.0 99.9 140.4 PSI 23 23 A 13 TYR C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -151.9 -70.5 PHI 24 24 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 GLU N 1.0 68.1 166.8 PSI 25 25 A 14 ASP C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -78.7 -38.7 PHI 26 26 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 GLY N 1.0 -56.2 -16.2 PSI 27 27 A 15 GLU C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 -94.0 -43.4 PHI 28 28 A 16 GLY N A 16 GLY CA A 16 GLY C A 17 LYS N 1.0 -67.0 12.5 PSI 29 29 A 16 GLY C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -110.3 -61.0 PHI 30 30 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 GLY N 1.0 -48.6 2.1 PSI 31 31 A 20 PRO C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -84.3 -44.3 PHI 32 32 A 21 ARG N A 21 ARG CA A 21 ARG C A 22 GLU N 1.0 -53.7 -1.9 PSI 33 33 A 21 ARG C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -117.9 -68.5 PHI 34 34 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 GLY N 1.0 -27.9 25.9 PSI 35 35 A 22 GLU C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 46.5 96.8 PHI 36 36 A 23 GLY N A 23 GLY CA A 23 GLY C A 24 PHE N 1.0 2.9 52.5 PSI 37 37 A 23 GLY C A 24 PHE N A 24 PHE CA A 24 PHE C 1.0 -143.6 -62.2 PHI 38 38 A 24 PHE N A 24 PHE CA A 24 PHE C A 25 PRO N 1.0 86.3 167.0 PSI 39 39 A 25 PRO C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -76.4 -36.4 PHI 40 40 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 GLY N 1.0 114.7 154.7 PSI 41 41 A 26 ALA C A 27 GLY N A 27 GLY CA A 27 GLY C 1.0 74.9 114.9 PHI 42 42 A 27 GLY N A 27 GLY CA A 27 GLY C A 28 THR N 1.0 -39.4 22.5 PSI 43 43 A 27 GLY C A 28 THR N A 28 THR CA A 28 THR C 1.0 -98.0 -52.0 PHI 44 44 A 28 THR N A 28 THR CA A 28 THR C A 29 ARG N 1.0 109.0 149.0 PSI 45 45 A 28 THR C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -150.8 -24.9 PHI 46 46 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 TRP N 1.0 85.1 192.2 PSI 47 47 A 29 ARG C A 30 TRP N A 30 TRP CA A 30 TRP C 1.0 -78.7 -38.7 PHI 48 48 A 30 TRP N A 30 TRP CA A 30 TRP C A 31 ASP N 1.0 -57.1 -7.0 PSI 49 49 A 30 TRP C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -92.6 -41.9 PHI 50 50 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 GLN N 1.0 -52.1 17.2 PSI 51 51 A 31 ASP C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -115.2 -63.5 PHI 52 52 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 ILE N 1.0 -38.1 15.8 PSI 53 53 A 32 GLN C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -147.4 -27.5 PHI 54 54 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 PRO N 1.0 79.1 170.8 PSI 55 55 A 34 PRO C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -79.2 -39.2 PHI 56 56 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 ASP N 1.0 -52.0 1.1 PSI 57 57 A 35 ASP C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -118.8 -78.8 PHI 58 58 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 TRP N 1.0 -23.1 29.7 PSI 59 59 A 36 ASP C A 37 TRP N A 37 TRP CA A 37 TRP C 1.0 -92.9 -48.0 PHI 60 60 A 37 TRP N A 37 TRP CA A 37 TRP C A 38 CYS N 1.0 116.1 156.1 PSI 61 61 A 37 TRP C A 38 CYS N A 38 CYS CA A 38 CYS C 1.0 -158.2 -97.5 PHI 62 62 A 38 CYS N A 38 CYS CA A 38 CYS C A 39 CYS N 1.0 122.3 179.2 PSI 63 63 A 38 CYS C A 39 CYS N A 39 CYS CA A 39 CYS C 1.0 -181.4 -65.5 PHI 64 64 A 39 CYS N A 39 CYS CA A 39 CYS C A 40 PRO N 1.0 99.3 167.0 PSI 65 65 A 40 PRO C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -87.1 -37.8 PHI 66 66 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 CYS N 1.0 -52.8 -12.8 PSI 67 67 A 41 ASP C A 42 CYS N A 42 CYS CA A 42 CYS C 1.0 -80.6 -40.6 PHI 68 68 A 42 CYS N A 42 CYS CA A 42 CYS C A 43 SER N 1.0 -63.2 -23.2 PSI 69 69 A 42 CYS C A 43 SER N A 43 SER CA A 43 SER C 1.0 -101.8 -50.6 PHI 70 70 A 43 SER N A 43 SER CA A 43 SER C A 44 VAL N 1.0 -59.1 -19.1 PSI 71 71 A 43 SER C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -135.5 -71.3 PHI 72 72 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 ARG N 1.0 -47.7 33.5 PSI 73 73 A 44 VAL C A 45 ARG N A 45 ARG CA A 45 ARG C 1.0 -168.6 -104.6 PHI 74 74 A 45 ARG N A 45 ARG CA A 45 ARG C A 46 GLU N 1.0 117.7 166.2 PSI 75 75 A 45 ARG C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -141.1 -37.6 PHI 76 76 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 LYS N 1.0 138.7 178.7 PSI 77 77 A 46 GLU C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -81.6 -39.3 PHI 78 78 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 VAL N 1.0 -60.9 -12.2 PSI 79 79 A 47 LYS C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -91.3 -50.3 PHI 80 80 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 ASP N 1.0 -48.0 4.6 PSI 81 81 A 48 VAL C A 49 ASP N A 49 ASP CA A 49 ASP C 1.0 -117.2 -62.7 PHI 82 82 A 49 ASP N A 49 ASP CA A 49 ASP C A 50 PHE N 1.0 -58.5 -11.0 PSI 83 83 A 49 ASP C A 50 PHE N A 50 PHE CA A 50 PHE C 1.0 -123.9 -25.4 PHI 84 84 A 50 PHE N A 50 PHE CA A 50 PHE C A 51 GLU N 1.0 115.1 171.1 PSI 85 85 A 50 PHE C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -149.7 -66.9 PHI 86 86 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 ARG N 1.0 108.5 166.8 PSI 87 87 A 51 GLU C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -99.9 -59.9 PHI 88 88 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 MET N 1.0 104.7 144.7 PSI stop_ save_