data_nef_c15341_2jrr 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 ILE middle . . 4 A 4 GLN middle . . 5 A 5 ALA middle . . 6 A 6 PRO middle . false 7 A 7 GLU middle . . 8 A 8 THR middle . . 9 A 9 LYS middle . . 10 A 10 ILE middle . . 11 A 11 VAL middle . . 12 A 12 ASP middle . . 13 A 13 LYS middle . . 14 A 14 SER middle . . 15 A 15 ARG middle . . 16 A 16 VAL middle . . 17 A 17 ALA middle . . 18 A 18 CYS middle . . 19 A 19 ASP middle . . 20 A 20 GLY middle . false 21 A 21 GLY middle . false 22 A 22 GLU middle . . 23 A 23 GLY middle . false 24 A 24 ALA middle . . 25 A 25 LEU middle . . 26 A 26 GLY middle . false 27 A 27 HIS middle . . 28 A 28 PRO middle . false 29 A 29 ARG middle . . 30 A 30 VAL middle . . 31 A 31 TRP middle . . 32 A 32 LEU middle . . 33 A 33 GLN middle . . 34 A 34 ILE middle . . 35 A 35 PRO middle . false 36 A 36 GLU middle . . 37 A 37 ASP middle . . 38 A 38 THR middle . . 39 A 39 GLY middle . false 40 A 40 TRP middle . . 41 A 41 VAL middle . . 42 A 42 GLU middle . . 43 A 43 CYS middle . . 44 A 44 PRO middle . false 45 A 45 TYR middle . . 46 A 46 CYS middle . . 47 A 47 ASP middle . . 48 A 48 CYS middle . . 49 A 49 LYS middle . . 50 A 50 TYR middle . . 51 A 51 VAL middle . . 52 A 52 LEU middle . . 53 A 53 LYS middle . . 54 A 54 GLY middle . false 55 A 55 SER middle . . 56 A 56 LYS middle . . 57 A 57 ALA middle . . 58 A 58 ASP middle . . 59 A 59 ALA middle . . 60 A 60 LEU middle . . 61 A 61 GLU middle . . 62 A 62 HIS middle . . 63 A 63 HIS middle . . 64 A 64 HIS middle . . 65 A 65 HIS middle . . 66 A 66 HIS middle . . 67 A 67 HIS 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 2 THR HA H 1 3.902 0.02 A 2 THR HB H 1 4.138 0.02 A 2 THR HG2% H 1 1.273 0.02 A 2 THR CA C 13 61.460 0.2 A 2 THR CB C 13 69.379 0.2 A 2 THR CG2 C 13 21.614 0.2 A 3 ILE H H 1 8.671 0.02 A 3 ILE HA H 1 4.166 0.02 A 3 ILE HB H 1 1.820 0.02 A 3 ILE HD1% H 1 0.835 0.02 A 3 ILE HG1x H 1 1.171 0.02 A 3 ILE HG1y H 1 1.460 0.02 A 3 ILE HG2% H 1 0.878 0.02 A 3 ILE CA C 13 61.569 0.2 A 3 ILE CB C 13 38.770 0.2 A 3 ILE CD1 C 13 12.761 0.2 A 3 ILE CG1 C 13 27.380 0.2 A 3 ILE CG2 C 13 17.350 0.2 A 3 ILE N N 15 124.520 0.2 A 4 GLN H H 1 8.477 0.02 A 4 GLN HA H 1 4.291 0.02 A 4 GLN HBx H 1 1.964 0.02 A 4 GLN HBy H 1 2.022 0.02 A 4 GLN HE2x H 1 6.850 0.02 A 4 GLN HE2y H 1 7.567 0.02 A 4 GLN HGy H 1 2.334 0.02 A 4 GLN HGx H 1 2.022 0.02 A 4 GLN CA C 13 55.615 0.2 A 4 GLN CB C 13 29.590 0.2 A 4 GLN CG C 13 33.728 0.2 A 4 GLN N N 15 124.855 0.2 A 4 GLN NE2 N 15 112.742 0.2 A 5 ALA H H 1 8.334 0.02 A 5 ALA HA H 1 4.568 0.02 A 5 ALA HB% H 1 1.299 0.02 A 5 ALA CA C 13 50.464 0.2 A 5 ALA CB C 13 18.235 0.2 A 5 ALA N N 15 127.159 0.2 A 6 PRO HA H 1 4.429 0.02 A 6 PRO HBy H 1 2.273 0.02 A 6 PRO HBx H 1 1.842 0.02 A 6 PRO HDy H 1 3.740 0.02 A 6 PRO HDx H 1 3.543 0.02 A 6 PRO HGx H 1 1.976 0.02 A 6 PRO CA C 13 63.072 0.2 A 6 PRO CB C 13 32.220 0.2 A 6 PRO CD C 13 50.534 0.2 A 6 PRO CG C 13 27.503 0.2 A 7 GLU H H 1 8.363 0.02 A 7 GLU HA H 1 4.280 0.02 A 7 GLU HBx H 1 1.926 0.02 A 7 GLU HGy H 1 2.268 0.02 A 7 GLU HGx H 1 2.209 0.02 A 7 GLU CA C 13 56.298 0.2 A 7 GLU CB C 13 31.415 0.2 A 7 GLU CG C 13 36.304 0.2 A 7 GLU N N 15 122.629 0.2 A 8 THR H H 1 8.219 0.02 A 8 THR HA H 1 4.948 0.02 A 8 THR HB H 1 3.796 0.02 A 8 THR HG2% H 1 0.939 0.02 A 8 THR CA C 13 62.157 0.2 A 8 THR CB C 13 70.658 0.2 A 8 THR CG2 C 13 21.764 0.2 A 8 THR N N 15 119.082 0.2 A 9 LYS H H 1 8.885 0.02 A 9 LYS HA H 1 4.513 0.02 A 9 LYS HBy H 1 1.648 0.02 A 9 LYS HBx H 1 1.363 0.02 A 9 LYS HDx H 1 1.521 0.02 A 9 LYS HDy H 1 1.64 0.02 A 9 LYS HEy H 1 2.918 0.02 A 9 LYS HEx H 1 2.909 0.02 A 9 LYS HGy H 1 1.196 0.02 A 9 LYS HGx H 1 1.089 0.02 A 9 LYS CA C 13 55.062 0.2 A 9 LYS CB C 13 35.316 0.2 A 9 LYS CD C 13 29.580 0.2 A 9 LYS CE C 13 42.443 0.2 A 9 LYS CG C 13 25.544 0.2 A 9 LYS N N 15 128.038 0.2 A 10 ILE H H 1 8.550 0.02 A 10 ILE HA H 1 5.029 0.02 A 10 ILE HB H 1 1.829 0.02 A 10 ILE HD1% H 1 0.764 0.02 A 10 ILE HG1x H 1 1.146 0.02 A 10 ILE HG1y H 1 1.446 0.02 A 10 ILE HG2% H 1 0.857 0.02 A 10 ILE CA C 13 59.908 0.2 A 10 ILE CB C 13 37.184 0.2 A 10 ILE CD1 C 13 12.503 0.2 A 10 ILE CG1 C 13 27.680 0.2 A 10 ILE CG2 C 13 17.596 0.2 A 10 ILE N N 15 124.813 0.2 A 11 VAL H H 1 9.253 0.02 A 11 VAL HA H 1 4.97 0.02 A 11 VAL HB H 1 2.474 0.02 A 11 VAL HG1% H 1 1.108 0.02 A 11 VAL HG2% H 1 0.912 0.02 A 11 VAL CA C 13 59.3 0.2 A 11 VAL CB C 13 35.7 0.2 A 11 VAL CG1 C 13 22.98 0.2 A 11 VAL CG2 C 13 18.8 0.2 A 11 VAL N N 15 121.581 0.2 A 12 ASP H H 1 8.471 0.02 A 12 ASP HA H 1 4.825 0.02 A 12 ASP HBy H 1 2.860 0.02 A 12 ASP HBx H 1 2.608 0.02 A 12 ASP CA C 13 53.836 0.2 A 12 ASP CB C 13 41.671 0.2 A 12 ASP N N 15 118.084 0.2 A 13 LYS H H 1 7.17 0.02 A 13 LYS HA H 1 4.679 0.02 A 13 LYS HBy H 1 2.012 0.02 A 13 LYS HBx H 1 1.788 0.02 A 13 LYS HDx H 1 1.784 0.02 A 13 LYS HDy H 1 1.794 0.02 A 13 LYS HEy H 1 3.085 0.02 A 13 LYS HEx H 1 3.071 0.02 A 13 LYS HGx H 1 1.475 0.02 A 13 LYS HGy H 1 1.522 0.02 A 13 LYS CA C 13 54.180 0.2 A 13 LYS CB C 13 35.890 0.2 A 13 LYS CD C 13 29.145 0.2 A 13 LYS CE C 13 42.340 0.2 A 13 LYS CG C 13 24.479 0.2 A 13 LYS N N 15 117.3 0.2 A 14 SER H H 1 8.254 0.02 A 14 SER HA H 1 4.170 0.02 A 14 SER HBy H 1 4.067 0.02 A 14 SER HBx H 1 3.886 0.02 A 14 SER CA C 13 60.024 0.2 A 14 SER CB C 13 63.593 0.2 A 14 SER N N 15 111.308 0.2 A 15 ARG H H 1 7.110 0.02 A 15 ARG HA H 1 5.297 0.02 A 15 ARG HBx H 1 1.647 0.02 A 15 ARG HBy H 1 1.724 0.02 A 15 ARG HDy H 1 3.023 0.02 A 15 ARG HDx H 1 2.945 0.02 A 15 ARG HGx H 1 1.52 0.02 A 15 ARG HGy H 1 1.59 0.02 A 15 ARG CA C 13 55.163 0.2 A 15 ARG CB C 13 31.260 0.2 A 15 ARG CD C 13 43.288 0.2 A 15 ARG CG C 13 28.233 0.2 A 15 ARG N N 15 121.362 0.2 A 16 VAL H H 1 8.809 0.02 A 16 VAL HA H 1 4.45 0.02 A 16 VAL HB H 1 1.66 0.02 A 16 VAL HG1% H 1 0.35 0.02 A 16 VAL HG2% H 1 0.454 0.02 A 16 VAL CA C 13 59.6 0.2 A 16 VAL CB C 13 35.8 0.2 A 16 VAL CG1 C 13 20.0 0.2 A 16 VAL CG2 C 13 20.15 0.2 A 16 VAL N N 15 124.300 0.2 A 17 ALA H H 1 8.009 0.02 A 17 ALA HA H 1 4.322 0.02 A 17 ALA HB% H 1 -0.186 0.02 A 17 ALA CA C 13 49.691 0.2 A 17 ALA CB C 13 17.652 0.2 A 17 ALA N N 15 127.911 0.2 A 18 CYS H H 1 8.814 0.02 A 18 CYS HA H 1 4.492 0.02 A 18 CYS HBy H 1 3.210 0.02 A 18 CYS HBx H 1 2.473 0.02 A 18 CYS CA C 13 59.650 0.2 A 18 CYS CB C 13 31.882 0.2 A 18 CYS N N 15 123.363 0.2 A 19 ASP H H 1 8.528 0.02 A 19 ASP HA H 1 4.489 0.02 A 19 ASP HBy H 1 2.73 0.02 A 19 ASP HBx H 1 2.35 0.02 A 19 ASP CA C 13 53.107 0.2 A 19 ASP CB C 13 42.346 0.2 A 19 ASP N N 15 128.758 0.2 A 20 GLY H H 1 9.037 0.02 A 20 GLY HAy H 1 4.079 0.02 A 20 GLY HAx H 1 3.906 0.02 A 20 GLY CA C 13 45.894 0.2 A 20 GLY N N 15 115.047 0.2 A 21 GLY H H 1 7.336 0.02 A 21 GLY HAy H 1 4.246 0.02 A 21 GLY HAx H 1 3.612 0.02 A 21 GLY CA C 13 44.222 0.2 A 21 GLY N N 15 109.000 0.2 A 22 GLU H H 1 8.359 0.02 A 22 GLU HA H 1 4.192 0.02 A 22 GLU HBx H 1 1.87 0.02 A 22 GLU HBy H 1 1.98 0.02 A 22 GLU HGx H 1 2.25 0.02 A 22 GLU HGy H 1 2.25 0.02 A 22 GLU CA C 13 56.20 0.2 A 22 GLU CB C 13 30.746 0.2 A 22 GLU CG C 13 36.2 0.2 A 22 GLU N N 15 118.322 0.2 A 23 GLY H H 1 8.809 0.02 A 23 GLY HAx H 1 3.780 0.02 A 23 GLY HAy H 1 3.835 0.02 A 23 GLY CA C 13 46.688 0.2 A 23 GLY N N 15 111.934 0.2 A 24 ALA H H 1 8.995 0.02 A 24 ALA HA H 1 4.246 0.02 A 24 ALA HB% H 1 1.455 0.02 A 24 ALA CA C 13 53.645 0.2 A 24 ALA CB C 13 18.641 0.2 A 24 ALA N N 15 129.183 0.2 A 25 LEU H H 1 7.780 0.02 A 25 LEU HA H 1 4.407 0.02 A 25 LEU HBx H 1 1.711 0.02 A 25 LEU HBy H 1 1.711 0.02 A 25 LEU HD1% H 1 0.975 0.02 A 25 LEU HD2% H 1 0.888 0.02 A 25 LEU HG H 1 1.685 0.02 A 25 LEU CA C 13 54.551 0.2 A 25 LEU CB C 13 41.305 0.2 A 25 LEU CD1 C 13 25.345 0.2 A 25 LEU CD2 C 13 22.645 0.2 A 25 LEU CG C 13 27.314 0.2 A 25 LEU N N 15 116.850 0.2 A 26 GLY H H 1 7.808 0.02 A 26 GLY HAy H 1 4.313 0.02 A 26 GLY HAx H 1 3.685 0.02 A 26 GLY CA C 13 45.895 0.2 A 26 GLY N N 15 110.392 0.2 A 27 HIS H H 1 7.626 0.02 A 27 HIS HA H 1 4.999 0.02 A 27 HIS HBx H 1 2.794 0.02 A 27 HIS HBy H 1 3.018 0.02 A 27 HIS HD2 H 1 7.11 0.02 A 27 HIS HE1 H 1 6.94 0.02 A 27 HIS CA C 13 53.604 0.2 A 27 HIS CB C 13 28.333 0.2 A 27 HIS CD2 C 13 119.3 0.2 A 27 HIS CE1 C 13 129.2 0.2 A 27 HIS N N 15 118.046 0.2 A 28 PRO HA H 1 4.270 0.02 A 28 PRO HBy H 1 2.315 0.02 A 28 PRO HBx H 1 1.710 0.02 A 28 PRO HDy H 1 3.745 0.02 A 28 PRO HDx H 1 3.270 0.02 A 28 PRO HGy H 1 1.994 0.02 A 28 PRO HGx H 1 1.879 0.02 A 28 PRO CA C 13 63.293 0.2 A 28 PRO CB C 13 31.916 0.2 A 28 PRO CD C 13 50.895 0.2 A 28 PRO CG C 13 28.1 0.2 A 29 ARG H H 1 8.464 0.02 A 29 ARG HA H 1 4.35 0.02 A 29 ARG HBx H 1 1.56 0.02 A 29 ARG HBy H 1 1.86 0.02 A 29 ARG HDx H 1 2.48 0.02 A 29 ARG HDy H 1 2.85 0.02 A 29 ARG HE H 1 8.638 0.02 A 29 ARG HGx H 1 0.74 0.02 A 29 ARG HGy H 1 0.87 0.02 A 29 ARG CA C 13 58.043 0.2 A 29 ARG CB C 13 30.269 0.2 A 29 ARG CD C 13 43.08 0.2 A 29 ARG CG C 13 26.5 0.2 A 29 ARG N N 15 125.844 0.2 A 29 ARG NE N 15 85.26 0.2 A 30 VAL H H 1 8.472 0.02 A 30 VAL HA H 1 4.54 0.02 A 30 VAL HB H 1 2.15 0.02 A 30 VAL HGx% H 1 1.08 0.02 A 30 VAL HGy% H 1 1.12 0.02 A 30 VAL CA C 13 59.5 0.2 A 30 VAL CB C 13 35.7 0.2 A 30 VAL CGx C 13 21.3 0.2 A 30 VAL CGy C 13 21.8 0.2 A 30 VAL N N 15 125.322 0.2 A 31 TRP H H 1 8.648 0.02 A 31 TRP HA H 1 4.864 0.02 A 31 TRP HBx H 1 2.89 0.02 A 31 TRP HBy H 1 2.99 0.02 A 31 TRP HD1 H 1 7.17 0.02 A 31 TRP HE1 H 1 9.996 0.02 A 31 TRP HE3 H 1 7.18 0.02 A 31 TRP HH2 H 1 7.14 0.02 A 31 TRP HZ2 H 1 7.43 0.02 A 31 TRP HZ3 H 1 6.85 0.02 A 31 TRP CA C 13 56.885 0.2 A 31 TRP CB C 13 29.922 0.2 A 31 TRP CD1 C 13 126.6 0.2 A 31 TRP CE3 C 13 120.2 0.2 A 31 TRP CH2 C 13 124.5 0.2 A 31 TRP CZ2 C 13 114.3 0.2 A 31 TRP CZ3 C 13 122.1 0.2 A 31 TRP N N 15 125.162 0.2 A 31 TRP NE1 N 15 127.7 0.2 A 32 LEU H H 1 9.634 0.02 A 32 LEU HA H 1 4.701 0.02 A 32 LEU HBy H 1 1.563 0.02 A 32 LEU HBx H 1 1.237 0.02 A 32 LEU HD1% H 1 0.969 0.02 A 32 LEU HD2% H 1 0.712 0.02 A 32 LEU HG H 1 1.577 0.02 A 32 LEU CA C 13 53.078 0.2 A 32 LEU CB C 13 44.467 0.2 A 32 LEU CD1 C 13 23.748 0.2 A 32 LEU CD2 C 13 26.643 0.2 A 32 LEU CG C 13 26.610 0.2 A 32 LEU N N 15 125.975 0.2 A 33 GLN H H 1 8.446 0.02 A 33 GLN HA H 1 5.027 0.02 A 33 GLN HBx H 1 1.876 0.02 A 33 GLN HBy H 1 1.985 0.02 A 33 GLN HE2x H 1 6.795 0.02 A 33 GLN HE2y H 1 7.534 0.02 A 33 GLN HGx H 1 2.050 0.02 A 33 GLN HGy H 1 2.225 0.02 A 33 GLN CA C 13 53.279 0.2 A 33 GLN CB C 13 30.512 0.2 A 33 GLN CG C 13 33.662 0.2 A 33 GLN N N 15 121.000 0.2 A 33 GLN NE2 N 15 112.237 0.2 A 34 ILE H H 1 9.377 0.02 A 34 ILE HA H 1 3.900 0.02 A 34 ILE HB H 1 1.666 0.02 A 34 ILE HD1% H 1 0.719 0.02 A 34 ILE HG1x H 1 0.731 0.02 A 34 ILE HG1y H 1 1.595 0.02 A 34 ILE HG2% H 1 0.629 0.02 A 34 ILE CA C 13 60.335 0.2 A 34 ILE CB C 13 38.613 0.2 A 34 ILE CD1 C 13 14.132 0.2 A 34 ILE CG1 C 13 28.795 0.2 A 34 ILE CG2 C 13 16.848 0.2 A 34 ILE N N 15 128.325 0.2 A 35 PRO HA H 1 4.471 0.02 A 35 PRO HBy H 1 2.348 0.02 A 35 PRO HBx H 1 2.174 0.02 A 35 PRO HDy H 1 4.060 0.02 A 35 PRO HDx H 1 3.478 0.02 A 35 PRO HGy H 1 2.114 0.02 A 35 PRO HGx H 1 1.865 0.02 A 35 PRO CA C 13 62.744 0.2 A 35 PRO CB C 13 32.282 0.2 A 35 PRO CD C 13 51.517 0.2 A 35 PRO CG C 13 27.641 0.2 A 36 GLU H H 1 8.971 0.02 A 36 GLU HA H 1 3.918 0.02 A 36 GLU HBx H 1 2.016 0.02 A 36 GLU HBy H 1 2.016 0.02 A 36 GLU HGx H 1 2.29 0.02 A 36 GLU HGy H 1 2.35 0.02 A 36 GLU CA C 13 59.030 0.2 A 36 GLU CB C 13 29.791 0.2 A 36 GLU CG C 13 36.28 0.2 A 36 GLU N N 15 124.755 0.2 A 37 ASP H H 1 8.657 0.02 A 37 ASP HA H 1 4.421 0.02 A 37 ASP HBx H 1 2.717 0.02 A 37 ASP HBy H 1 2.717 0.02 A 37 ASP CA C 13 55.552 0.2 A 37 ASP CB C 13 39.824 0.2 A 37 ASP N N 15 114.541 0.2 A 38 THR H H 1 7.498 0.02 A 38 THR HA H 1 4.415 0.02 A 38 THR HB H 1 3.945 0.02 A 38 THR HG2% H 1 0.978 0.02 A 38 THR CA C 13 62.748 0.2 A 38 THR CB C 13 69.280 0.2 A 38 THR CG2 C 13 21.869 0.2 A 38 THR N N 15 109.405 0.2 A 39 GLY H H 1 7.967 0.02 A 39 GLY HAy H 1 4.446 0.02 A 39 GLY HAx H 1 3.619 0.02 A 39 GLY CA C 13 46.428 0.2 A 39 GLY N N 15 108.005 0.2 A 40 TRP H H 1 7.442 0.02 A 40 TRP HA H 1 5.960 0.02 A 40 TRP HBx H 1 3.028 0.02 A 40 TRP HBy H 1 3.148 0.02 A 40 TRP HD1 H 1 7.07 0.02 A 40 TRP HE1 H 1 10.39 0.02 A 40 TRP HE3 H 1 7.125 0.02 A 40 TRP HH2 H 1 7.21 0.02 A 40 TRP HZ2 H 1 7.49 0.02 A 40 TRP HZ3 H 1 7.03 0.02 A 40 TRP CA C 13 54.581 0.2 A 40 TRP CB C 13 33.231 0.2 A 40 TRP CD1 C 13 128 0.2 A 40 TRP CE3 C 13 119.6 0.2 A 40 TRP CH2 C 13 124.5 0.2 A 40 TRP CZ2 C 13 114.9 0.2 A 40 TRP CZ3 C 13 122.1 0.2 A 40 TRP N N 15 114.404 0.2 A 40 TRP NE1 N 15 130.2 0.2 A 41 VAL H H 1 9.317 0.02 A 41 VAL HA H 1 4.26 0.02 A 41 VAL HB H 1 1.99 0.02 A 41 VAL HGx% H 1 1.15 0.02 A 41 VAL HGy% H 1 0.82 0.02 A 41 VAL CA C 13 60.9 0.2 A 41 VAL CB C 13 36.4 0.2 A 41 VAL CGy C 13 22.1 0.2 A 41 VAL CGx C 13 21.75 0.2 A 41 VAL N N 15 119.203 0.2 A 42 GLU H H 1 8.635 0.02 A 42 GLU HA H 1 5.559 0.02 A 42 GLU HBy H 1 2.009 0.02 A 42 GLU HBx H 1 1.970 0.02 A 42 GLU HGx H 1 2.240 0.02 A 42 GLU HGy H 1 2.256 0.02 A 42 GLU CA C 13 53.676 0.2 A 42 GLU CB C 13 32.534 0.2 A 42 GLU CG C 13 36.259 0.2 A 42 GLU N N 15 125.457 0.2 A 43 CYS H H 1 9.018 0.02 A 43 CYS HA H 1 4.71 0.02 A 43 CYS HBx H 1 2.96 0.02 A 43 CYS HBy H 1 3.36 0.02 A 43 CYS CA C 13 56.955 0.2 A 43 CYS CB C 13 31.65 0.2 A 43 CYS N N 15 127.165 0.2 A 44 PRO HA H 1 4.455 0.02 A 44 PRO HBx H 1 1.427 0.02 A 44 PRO HBy H 1 2.151 0.02 A 44 PRO HDy H 1 4.163 0.02 A 44 PRO HDx H 1 3.958 0.02 A 44 PRO HGx H 1 1.479 0.02 A 44 PRO HGy H 1 1.948 0.02 A 44 PRO CA C 13 64.002 0.2 A 44 PRO CB C 13 31.979 0.2 A 44 PRO CD C 13 51.526 0.2 A 44 PRO CG C 13 26.360 0.2 A 45 TYR H H 1 9.205 0.02 A 45 TYR HA H 1 4.477 0.02 A 45 TYR HBy H 1 2.517 0.02 A 45 TYR HBx H 1 1.602 0.02 A 45 TYR HD1 H 1 6.78 0.02 A 45 TYR HD2 H 1 6.78 0.02 A 45 TYR HE1 H 1 6.79 0.02 A 45 TYR HE2 H 1 6.79 0.02 A 45 TYR CA C 13 59.357 0.2 A 45 TYR CB C 13 38.009 0.2 A 45 TYR CD1 C 13 132.4 0.2 A 45 TYR CD2 C 13 132.4 0.2 A 45 TYR CE1 C 13 118.2 0.2 A 45 TYR CE2 C 13 118.2 0.2 A 45 TYR N N 15 120.751 0.2 A 46 CYS H H 1 8.097 0.02 A 46 CYS HA H 1 5.092 0.02 A 46 CYS HBy H 1 3.409 0.02 A 46 CYS HBx H 1 3.135 0.02 A 46 CYS CA C 13 58.497 0.2 A 46 CYS CB C 13 32.055 0.2 A 46 CYS N N 15 117.233 0.2 A 47 ASP H H 1 7.967 0.02 A 47 ASP HA H 1 4.629 0.02 A 47 ASP HBx H 1 2.964 0.02 A 47 ASP HBy H 1 2.991 0.02 A 47 ASP CA C 13 56.076 0.2 A 47 ASP CB C 13 39.369 0.2 A 47 ASP N N 15 118.439 0.2 A 48 CYS H H 1 8.364 0.02 A 48 CYS HA H 1 4.175 0.02 A 48 CYS HBy H 1 2.985 0.02 A 48 CYS HBx H 1 2.608 0.02 A 48 CYS CA C 13 61.629 0.2 A 48 CYS CB C 13 28.528 0.2 A 48 CYS N N 15 121.540 0.2 A 49 LYS H H 1 8.542 0.02 A 49 LYS HA H 1 4.956 0.02 A 49 LYS HBy H 1 1.865 0.02 A 49 LYS HBx H 1 1.780 0.02 A 49 LYS HDx H 1 1.280 0.02 A 49 LYS HDy H 1 1.280 0.02 A 49 LYS HEx H 1 2.30 0.02 A 49 LYS HEy H 1 2.30 0.02 A 49 LYS HGx H 1 1.229 0.02 A 49 LYS HGy H 1 1.393 0.02 A 49 LYS CA C 13 55.388 0.2 A 49 LYS CB C 13 34.179 0.2 A 49 LYS CD C 13 29.369 0.2 A 49 LYS CE C 13 41.488 0.2 A 49 LYS CG C 13 25.986 0.2 A 49 LYS N N 15 129.258 0.2 A 50 TYR H H 1 9.32 0.02 A 50 TYR HA H 1 5.264 0.02 A 50 TYR HBx H 1 2.67 0.02 A 50 TYR HBy H 1 2.782 0.02 A 50 TYR HD1 H 1 6.897 0.02 A 50 TYR HD2 H 1 6.897 0.02 A 50 TYR HE1 H 1 6.67 0.02 A 50 TYR HE2 H 1 6.67 0.02 A 50 TYR CA C 13 57.636 0.2 A 50 TYR CB C 13 40.412 0.2 A 50 TYR CD1 C 13 133.4 0.2 A 50 TYR CD2 C 13 133.4 0.2 A 50 TYR CE1 C 13 117.1 0.2 A 50 TYR CE2 C 13 117.1 0.2 A 50 TYR N N 15 125.926 0.2 A 51 VAL H H 1 8.925 0.02 A 51 VAL HA H 1 4.824 0.02 A 51 VAL HB H 1 1.799 0.02 A 51 VAL HG1% H 1 0.771 0.02 A 51 VAL HG2% H 1 0.813 0.02 A 51 VAL CA C 13 59.968 0.2 A 51 VAL CB C 13 35.624 0.2 A 51 VAL CG1 C 13 21.0 0.2 A 51 VAL CG2 C 13 21.9 0.2 A 51 VAL N N 15 122.631 0.2 A 52 LEU H H 1 8.771 0.02 A 52 LEU HA H 1 4.496 0.02 A 52 LEU HBx H 1 1.212 0.02 A 52 LEU HBy H 1 1.774 0.02 A 52 LEU HD1% H 1 0.682 0.02 A 52 LEU HD2% H 1 0.820 0.02 A 52 LEU HG H 1 1.567 0.02 A 52 LEU CA C 13 54.163 0.2 A 52 LEU CB C 13 43.220 0.2 A 52 LEU CD1 C 13 23.057 0.2 A 52 LEU CD2 C 13 26.17 0.2 A 52 LEU CG C 13 26.212 0.2 A 52 LEU N N 15 127.249 0.2 A 53 LYS H H 1 9.317 0.02 A 53 LYS HA H 1 4.028 0.02 A 53 LYS HBx H 1 1.628 0.02 A 53 LYS HBy H 1 1.739 0.02 A 53 LYS HDx H 1 1.267 0.02 A 53 LYS HDy H 1 1.267 0.02 A 53 LYS HEx H 1 2.92 0.02 A 53 LYS HEy H 1 2.92 0.02 A 53 LYS HGx H 1 1.32 0.02 A 53 LYS HGy H 1 1.39 0.02 A 53 LYS CA C 13 57.885 0.2 A 53 LYS CB C 13 32.819 0.2 A 53 LYS CD C 13 29.391 0.2 A 53 LYS CE C 13 41.944 0.2 A 53 LYS CG C 13 24.359 0.2 A 53 LYS N N 15 132.446 0.2 A 54 GLY H H 1 10.642 0.02 A 54 GLY HAy H 1 4.195 0.02 A 54 GLY HAx H 1 3.817 0.02 A 54 GLY CA C 13 45.390 0.2 A 54 GLY N N 15 117.440 0.2 A 55 SER H H 1 7.996 0.02 A 55 SER HA H 1 4.623 0.02 A 55 SER HBy H 1 4.405 0.02 A 55 SER HBx H 1 3.883 0.02 A 55 SER CA C 13 58.553 0.2 A 55 SER CB C 13 66.037 0.2 A 55 SER N N 15 115.895 0.2 A 56 LYS H H 1 9.018 0.02 A 56 LYS HA H 1 4.115 0.02 A 56 LYS HBx H 1 1.869 0.02 A 56 LYS HBy H 1 1.869 0.02 A 56 LYS HDx H 1 1.869 0.02 A 56 LYS HDy H 1 1.869 0.02 A 56 LYS HEx H 1 3.04 0.02 A 56 LYS HEy H 1 3.04 0.02 A 56 LYS HGx H 1 1.495 0.02 A 56 LYS HGy H 1 1.535 0.02 A 56 LYS CA C 13 58.716 0.2 A 56 LYS CB C 13 32.311 0.2 A 56 LYS CD C 13 29.14 0.2 A 56 LYS CE C 13 41.96 0.2 A 56 LYS CG C 13 24.77 0.2 A 56 LYS N N 15 120.334 0.2 A 57 ALA H H 1 7.590 0.02 A 57 ALA HA H 1 4.318 0.02 A 57 ALA HB% H 1 1.626 0.02 A 57 ALA CA C 13 53.124 0.2 A 57 ALA CB C 13 20.015 0.2 A 57 ALA N N 15 119.501 0.2 A 58 ASP H H 1 7.588 0.02 A 58 ASP HA H 1 4.441 0.02 A 58 ASP HBy H 1 3.007 0.02 A 58 ASP HBx H 1 2.652 0.02 A 58 ASP CA C 13 54.193 0.2 A 58 ASP CB C 13 41.066 0.2 A 58 ASP N N 15 120.195 0.2 A 59 ALA H H 1 7.840 0.02 A 59 ALA HA H 1 4.188 0.02 A 59 ALA HB% H 1 1.369 0.02 A 59 ALA CA C 13 53.326 0.2 A 59 ALA CB C 13 19.094 0.2 A 59 ALA N N 15 124.358 0.2 A 60 LEU H H 1 8.078 0.02 A 60 LEU HA H 1 4.10 0.02 A 60 LEU HBy H 1 1.670 0.02 A 60 LEU HBx H 1 1.488 0.02 A 60 LEU HD1% H 1 0.82 0.02 A 60 LEU HD2% H 1 0.86 0.02 A 60 LEU HG H 1 1.613 0.02 A 60 LEU CA C 13 56.210 0.2 A 60 LEU CB C 13 41.973 0.2 A 60 LEU CD1 C 13 23.386 0.2 A 60 LEU CD2 C 13 24.760 0.2 A 60 LEU CG C 13 26.962 0.2 A 60 LEU N N 15 119.688 0.2 A 61 GLU H H 1 8.042 0.02 A 61 GLU HA H 1 4.072 0.02 A 61 GLU HBx H 1 1.900 0.02 A 61 GLU HBy H 1 1.900 0.02 A 61 GLU HGx H 1 2.13 0.02 A 61 GLU HGy H 1 2.13 0.02 A 61 GLU CA C 13 56.896 0.2 A 61 GLU CB C 13 29.776 0.2 A 61 GLU CG C 13 35.83 0.2 A 61 GLU N N 15 119.804 0.2 A 62 HIS H H 1 8.153 0.02 A 62 HIS HA H 1 4.61 0.02 A 62 HIS HBy H 1 3.16 0.02 A 62 HIS HBx H 1 3.06 0.02 A 62 HIS CA C 13 56.131 0.2 A 62 HIS CB C 13 29.25 0.2 A 62 HIS N N 15 117.955 0.2 A 63 HIS H H 1 8.324 0.02 A 63 HIS HA H 1 4.52 0.02 A 63 HIS HBy H 1 3.216 0.02 A 63 HIS HBx H 1 3.103 0.02 A 63 HIS CA C 13 57.194 0.2 A 63 HIS CB C 13 29.761 0.2 A 63 HIS N N 15 125.429 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.restraint_origin noe _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 2 THR HA A 2 THR HG2% 1.0 1.8 5.6 2 2 A 2 THR HA A 3 ILE H 1.0 1.8 5.0 3 3 A 2 THR HA A 3 ILE HA 1.0 1.8 5.0 4 4 A 3 ILE H A 2 THR HB 1.0 1.8 5.0 5 5 A 2 THR HB A 4 GLN H 1.0 1.8 3.5 6 6 A 2 THR HB A 4 GLN HA 1.0 1.8 3.5 7 7 A 2 THR HG2% A 4 GLN HA 1.0 1.8 6.0 8 8 A 3 ILE H A 3 ILE HA 1.0 1.8 5.0 9 9 A 3 ILE H A 3 ILE HB 1.0 1.8 5.0 10 10 A 3 ILE H A 3 ILE HG1x 1.0 1.8 5.0 11 11 A 3 ILE H A 3 ILE HG1y 1.0 1.8 5.0 12 12 A 3 ILE H A 3 ILE HG2% 1.0 1.8 6.0 13 13 A 3 ILE H A 3 ILE HD1% 1.0 1.8 6.0 14 14 A 3 ILE HA A 3 ILE HG1x 1.0 1.8 5.0 15 15 A 3 ILE HA A 3 ILE HG1y 1.0 1.8 5.0 16 16 A 3 ILE HA A 3 ILE HG2% 1.0 1.8 5.6 17 17 A 3 ILE HA A 4 GLN H 1.0 1.8 3.5 18 18 A 3 ILE HA A 4 GLN HGx 1.0 1.8 6.0 19 18 A 3 ILE HA A 4 GLN HGy 1.0 1.8 6.0 20 19 A 3 ILE HB A 3 ILE HD1% 1.0 1.8 6.0 21 20 A 4 GLN H A 3 ILE HB 1.0 1.8 5.0 22 21 A 3 ILE HG1x A 3 ILE HG2% 1.0 1.8 6.0 23 22 A 3 ILE HG1y A 3 ILE HG2% 1.0 1.8 6.0 24 23 A 3 ILE HG2% A 3 ILE HD1% 1.0 1.8 7.0 25 24 A 3 ILE HD1% A 5 ALA HB% 1.0 1.8 7.0 26 25 A 4 GLN H A 4 GLN HA 1.0 1.8 5.0 27 26 A 4 GLN H A 4 GLN HBx 1.0 1.8 5.0 28 27 A 4 GLN H A 4 GLN HBy 1.0 1.8 5.0 29 28 A 4 GLN H A 4 GLN HGy 1.0 1.8 5.0 30 29 A 4 GLN H A 4 GLN HGx 1.0 1.8 5.0 31 30 A 4 GLN HA A 4 GLN HGy 1.0 1.8 5.0 32 31 A 4 GLN HA A 4 GLN HGx 1.0 1.8 5.0 33 32 A 4 GLN HA A 5 ALA H 1.0 1.8 3.5 34 33 A 4 GLN HA A 5 ALA HB% 1.0 1.8 6.0 35 34 A 4 GLN HA A 6 PRO HDx 1.0 1.8 6.0 36 34 A 4 GLN HA A 6 PRO HDy 1.0 1.8 6.0 37 35 A 5 ALA H A 4 GLN HBx 1.0 1.8 5.0 38 36 A 5 ALA H A 4 GLN HBy 1.0 1.8 5.0 39 37 A 5 ALA HA A 4 GLN HBy 1.0 1.8 6.0 40 37 A 4 GLN HBx A 5 ALA HA 1.0 1.8 6.0 41 38 A 4 GLN HE2y A 4 GLN HGx 1.0 1.8 7.0 42 38 A 4 GLN HE2x A 4 GLN HGx 1.0 1.8 7.0 43 38 A 4 GLN HGy A 4 GLN HE2y 1.0 1.8 7.0 44 38 A 4 GLN HGy A 4 GLN HE2x 1.0 1.8 7.0 45 39 A 5 ALA H A 4 GLN HGx 1.0 1.8 6.0 46 39 A 4 GLN HGy A 5 ALA H 1.0 1.8 6.0 47 40 A 5 ALA H A 5 ALA HA 1.0 1.8 5.0 48 41 A 5 ALA HB% A 5 ALA H 1.0 1.8 5.6 49 42 A 5 ALA H A 6 PRO HGx 1.0 1.8 6.0 50 42 A 5 ALA H A 6 PRO HGy 1.0 1.8 6.0 51 43 A 5 ALA H A 6 PRO HDy 1.0 1.8 5.0 52 44 A 5 ALA H A 6 PRO HDx 1.0 1.8 5.0 53 45 A 5 ALA HA A 6 PRO HA 1.0 1.8 5.0 54 46 A 5 ALA HA A 6 PRO HGx 1.0 1.8 6.0 55 46 A 5 ALA HA A 6 PRO HGy 1.0 1.8 6.0 56 47 A 6 PRO HDy A 5 ALA HA 1.0 1.8 5.0 57 48 A 5 ALA HA A 6 PRO HDx 1.0 1.8 5.0 58 49 A 5 ALA HA A 7 GLU H 1.0 1.8 5.0 59 50 A 5 ALA HB% A 6 PRO HDy 1.0 1.8 6.0 60 51 A 5 ALA HB% A 6 PRO HDx 1.0 1.8 6.0 61 52 A 6 PRO HA A 7 GLU H 1.0 1.8 2.9 62 53 A 7 GLU H A 6 PRO HBy 1.0 1.8 6.0 63 53 A 7 GLU H A 6 PRO HBx 1.0 1.8 6.0 64 54 A 7 GLU H A 7 GLU HA 1.0 1.8 5.0 65 55 A 7 GLU H A 7 GLU HBx 1.0 1.8 6.0 66 55 A 7 GLU H A 7 GLU HBy 1.0 1.8 6.0 67 56 A 7 GLU H A 7 GLU HGy 1.0 1.8 5.0 68 57 A 7 GLU H A 7 GLU HGx 1.0 1.8 5.0 69 58 A 7 GLU HA A 7 GLU HGx 1.0 1.8 6.0 70 58 A 7 GLU HA A 7 GLU HGy 1.0 1.8 6.0 71 59 A 7 GLU HA A 8 THR H 1.0 1.8 2.9 72 60 A 8 THR H A 7 GLU HBx 1.0 1.8 6.0 73 60 A 7 GLU HBy A 8 THR H 1.0 1.8 6.0 74 61 A 7 GLU HGy A 8 THR H 1.0 1.8 5.0 75 62 A 8 THR H A 7 GLU HGx 1.0 1.8 5.0 76 63 A 8 THR H A 8 THR HA 1.0 1.8 5.0 77 64 A 8 THR H A 8 THR HB 1.0 1.8 3.5 78 65 A 8 THR H A 8 THR HG2% 1.0 1.8 6.0 79 66 A 8 THR H A 9 LYS H 1.0 1.8 5.0 80 67 A 8 THR HA A 8 THR HG2% 1.0 1.8 5.6 81 68 A 8 THR HA A 9 LYS H 1.0 1.8 3.5 82 69 A 8 THR HA A 49 LYS H 1.0 1.8 5.0 83 70 A 8 THR HA A 49 LYS HBy 1.0 1.8 5.0 84 71 A 8 THR HA A 49 LYS HBx 1.0 1.8 5.0 85 72 A 8 THR HA A 49 LYS HDx 1.0 1.8 6.0 86 72 A 8 THR HA A 49 LYS HDy 1.0 1.8 6.0 87 73 A 8 THR HA A 50 TYR HA 1.0 1.8 5.0 88 74 A 8 THR HB A 9 LYS H 1.0 1.8 5.0 89 75 A 8 THR HB A 10 ILE HG1y 1.0 1.8 6.0 90 75 A 8 THR HB A 10 ILE HG1x 1.0 1.8 6.0 91 76 A 8 THR HG2% A 9 LYS H 1.0 1.8 6.0 92 77 A 8 THR HG2% A 10 ILE H 1.0 1.8 6.0 93 78 A 8 THR HG2% A 49 LYS H 1.0 1.8 6.0 94 79 A 8 THR HG2% A 49 LYS HBy 1.0 1.8 6.0 95 80 A 8 THR HG2% A 49 LYS HBx 1.0 1.8 6.0 96 81 A 8 THR HG2% A 49 LYS HDx 1.0 1.8 7.0 97 81 A 8 THR HG2% A 49 LYS HDy 1.0 1.8 7.0 98 82 A 8 THR HG2% A 49 LYS HGy 1.0 1.8 7.0 99 82 A 8 THR HG2% A 49 LYS HGx 1.0 1.8 7.0 100 83 A 8 THR HG2% A 51 VAL H 1.0 1.8 6.0 101 84 A 8 THR HG2% A 51 VAL HA 1.0 1.8 6.0 102 85 A 8 THR HG2% A 51 VAL HB 1.0 1.8 6.0 103 86 A 8 THR HG2% A 51 VAL HG2% 1.0 1.8 7.0 104 87 A 9 LYS H A 9 LYS HA 1.0 1.8 5.0 105 88 A 9 LYS H A 9 LYS HBy 1.0 1.8 5.0 106 89 A 9 LYS H A 9 LYS HBx 1.0 1.8 5.0 107 90 A 9 LYS H A 9 LYS HGy 1.0 1.8 5.0 108 91 A 9 LYS H A 9 LYS HGx 1.0 1.8 5.0 109 92 A 9 LYS H A 10 ILE H 1.0 1.8 5.0 110 93 A 9 LYS H A 49 LYS H 1.0 1.8 5.0 111 94 A 9 LYS H A 50 TYR HA 1.0 1.8 5.0 112 95 A 9 LYS H A 51 VAL H 1.0 1.8 2.9 113 96 A 9 LYS H A 51 VAL HG2% 1.0 1.8 6.0 114 97 A 9 LYS HA A 9 LYS HDy 1.0 1.8 6.0 115 97 A 9 LYS HA A 9 LYS HDx 1.0 1.8 6.0 116 98 A 9 LYS HA A 9 LYS HGy 1.0 1.8 5.0 117 99 A 9 LYS HA A 9 LYS HGx 1.0 1.8 5.0 118 100 A 10 ILE H A 9 LYS HA 1.0 1.8 3.5 119 101 A 9 LYS HA A 10 ILE HB 1.0 1.8 5.0 120 102 A 9 LYS HDx A 9 LYS HBy 1.0 1.8 6.0 121 102 A 9 LYS HDx A 9 LYS HBx 1.0 1.8 6.0 122 103 A 9 LYS HBx A 9 LYS HDy 1.0 1.8 6.0 123 103 A 9 LYS HBy A 9 LYS HDy 1.0 1.8 6.0 124 104 A 9 LYS HBy A 9 LYS HEx 1.0 1.8 6.0 125 104 A 9 LYS HBy A 9 LYS HEy 1.0 1.8 6.0 126 105 A 9 LYS HEx A 9 LYS HBx 1.0 1.8 6.0 127 105 A 9 LYS HBx A 9 LYS HEy 1.0 1.8 6.0 128 106 A 10 ILE H A 9 LYS HBx 1.0 1.8 6.0 129 106 A 10 ILE H A 9 LYS HBy 1.0 1.8 6.0 130 107 A 50 TYR HA A 9 LYS HBx 1.0 1.8 6.0 131 107 A 50 TYR HA A 9 LYS HBy 1.0 1.8 6.0 132 108 A 9 LYS HBy A 50 TYR HD% 1.0 1.8 7.0 133 109 A 50 TYR HD% A 9 LYS HBx 1.0 1.8 7.0 134 110 A 9 LYS HBy A 50 TYR HE% 1.0 1.8 7.0 135 111 A 50 TYR HE% A 9 LYS HBx 1.0 1.8 7.0 136 112 A 51 VAL H A 9 LYS HBy 1.0 1.8 5.0 137 113 A 51 VAL H A 9 LYS HBx 1.0 1.8 5.0 138 114 A 9 LYS HDx A 50 TYR HE% 1.0 1.8 7.0 139 115 A 50 TYR HE% A 9 LYS HDy 1.0 1.8 7.0 140 116 A 9 LYS HEx A 9 LYS HGy 1.0 1.8 6.0 141 116 A 9 LYS HGy A 9 LYS HEy 1.0 1.8 6.0 142 117 A 9 LYS HEy A 9 LYS HGx 1.0 1.8 6.0 143 117 A 9 LYS HEx A 9 LYS HGx 1.0 1.8 6.0 144 118 A 10 ILE H A 9 LYS HGy 1.0 1.8 5.0 145 119 A 10 ILE H A 9 LYS HGx 1.0 1.8 5.0 146 120 A 9 LYS HGx A 48 CYS HBx 1.0 1.8 7.0 147 120 A 9 LYS HGy A 48 CYS HBx 1.0 1.8 7.0 148 120 A 48 CYS HBy A 9 LYS HGx 1.0 1.8 7.0 149 120 A 9 LYS HGy A 48 CYS HBy 1.0 1.8 7.0 150 121 A 50 TYR HE% A 9 LYS HGx 1.0 1.8 8.0 151 121 A 50 TYR HE% A 9 LYS HGy 1.0 1.8 8.0 152 122 A 10 ILE H A 10 ILE HA 1.0 1.8 5.0 153 123 A 10 ILE H A 10 ILE HB 1.0 1.8 3.5 154 124 A 10 ILE HG1x A 10 ILE H 1.0 1.8 5.0 155 125 A 10 ILE H A 10 ILE HG1y 1.0 1.8 5.0 156 126 A 10 ILE H A 10 ILE HG2% 1.0 1.8 6.0 157 127 A 10 ILE H A 10 ILE HD1% 1.0 1.8 6.0 158 128 A 10 ILE H A 11 VAL H 1.0 1.8 5.0 159 129 A 10 ILE HG1x A 10 ILE HA 1.0 1.8 5.0 160 130 A 10 ILE HA A 10 ILE HG1y 1.0 1.8 5.0 161 131 A 10 ILE HA A 10 ILE HG2% 1.0 1.8 5.6 162 132 A 10 ILE HA A 10 ILE HD1% 1.0 1.8 6.0 163 133 A 10 ILE HA A 11 VAL H 1.0 1.8 3.5 164 134 A 51 VAL H A 10 ILE HA 1.0 1.8 5.0 165 135 A 51 VAL HB A 10 ILE HA 1.0 1.8 5.0 166 136 A 10 ILE HB A 10 ILE HD1% 1.0 1.8 6.0 167 137 A 10 ILE HB A 11 VAL H 1.0 1.8 5.0 168 138 A 10 ILE HG1x A 10 ILE HG2% 1.0 1.8 6.0 169 139 A 10 ILE HG2% A 10 ILE HG1y 1.0 1.8 6.0 170 140 A 51 VAL HB A 10 ILE HG1y 1.0 1.8 6.0 171 140 A 10 ILE HG1x A 51 VAL HB 1.0 1.8 6.0 172 141 A 10 ILE HG2% A 11 VAL H 1.0 1.8 6.0 173 142 A 10 ILE HG2% A 53 LYS H 1.0 1.8 6.0 174 143 A 10 ILE HG2% A 53 LYS HA 1.0 1.8 6.0 175 144 A 10 ILE HG2% A 53 LYS HBx 1.0 1.8 6.0 176 145 A 10 ILE HG2% A 53 LYS HBy 1.0 1.8 6.0 177 146 A 10 ILE HG2% A 53 LYS HDx 1.0 1.8 7.0 178 146 A 10 ILE HG2% A 53 LYS HDy 1.0 1.8 7.0 179 147 A 10 ILE HG2% A 53 LYS HGy 1.0 1.8 7.0 180 147 A 10 ILE HG2% A 53 LYS HGx 1.0 1.8 7.0 181 148 A 10 ILE HG2% A 54 GLY H 1.0 1.8 6.0 182 149 A 11 VAL H A 11 VAL HA 1.0 1.8 5.0 183 150 A 11 VAL H A 11 VAL HB 1.0 1.8 5.0 184 151 A 11 VAL H A 11 VAL HG1% 1.0 1.8 6.0 185 152 A 11 VAL H A 11 VAL HG2% 1.0 1.8 6.0 186 153 A 11 VAL H A 12 ASP H 1.0 1.8 5.0 187 154 A 51 VAL H A 11 VAL H 1.0 1.8 5.0 188 155 A 11 VAL H A 52 LEU HA 1.0 1.8 5.0 189 156 A 11 VAL H A 52 LEU HD1% 1.0 1.8 6.0 190 157 A 11 VAL HA A 11 VAL HG1% 1.0 1.8 6.0 191 158 A 11 VAL HA A 11 VAL HG2% 1.0 1.8 6.0 192 159 A 11 VAL HA A 12 ASP H 1.0 1.8 3.5 193 160 A 11 VAL HA A 12 ASP HA 1.0 1.8 5.0 194 161 A 11 VAL HA A 12 ASP HBy 1.0 1.8 6.0 195 161 A 11 VAL HA A 12 ASP HBx 1.0 1.8 6.0 196 162 A 11 VAL HA A 13 LYS H 1.0 1.8 5.0 197 163 A 11 VAL HB A 12 ASP H 1.0 1.8 3.5 198 164 A 11 VAL HB A 13 LYS H 1.0 1.8 5.0 199 165 A 11 VAL HB A 13 LYS HBx 1.0 1.8 6.0 200 165 A 11 VAL HB A 13 LYS HBy 1.0 1.8 6.0 201 166 A 11 VAL HB A 16 VAL HG1% 1.0 1.8 6.0 202 167 A 11 VAL HB A 16 VAL HG2% 1.0 1.8 6.0 203 168 A 11 VAL HG1% A 12 ASP H 1.0 1.8 6.0 204 169 A 11 VAL HG2% A 12 ASP H 1.0 1.8 6.0 205 170 A 11 VAL HG1% A 13 LYS H 1.0 1.8 6.0 206 171 A 11 VAL HG2% A 13 LYS H 1.0 1.8 6.0 207 172 A 11 VAL HG1% A 16 VAL HG1% 1.0 1.8 7.0 208 173 A 11 VAL HG1% A 16 VAL HG2% 1.0 1.8 7.0 209 174 A 11 VAL HG2% A 16 VAL HG1% 1.0 1.8 7.0 210 175 A 11 VAL HG2% A 16 VAL HG2% 1.0 1.8 7.0 211 176 A 11 VAL HG2% A 34 ILE HG1y 1.0 1.8 7.0 212 176 A 11 VAL HG2% A 34 ILE HG1x 1.0 1.8 7.0 213 177 A 11 VAL HG2% A 50 TYR HBy 1.0 1.8 7.0 214 177 A 11 VAL HG2% A 50 TYR HBx 1.0 1.8 7.0 215 178 A 50 TYR HD% A 11 VAL HG1% 1.0 1.8 8.0 216 179 A 50 TYR HD% A 11 VAL HG2% 1.0 1.8 8.0 217 180 A 50 TYR HE% A 11 VAL HG1% 1.0 1.8 8.0 218 181 A 51 VAL H A 11 VAL HG2% 1.0 1.8 6.0 219 182 A 11 VAL HG2% A 52 LEU HA 1.0 1.8 6.0 220 183 A 12 ASP H A 12 ASP HA 1.0 1.8 3.5 221 184 A 12 ASP H A 12 ASP HBy 1.0 1.8 5.0 222 185 A 12 ASP H A 12 ASP HBx 1.0 1.8 5.0 223 186 A 12 ASP H A 13 LYS H 1.0 1.8 3.5 224 187 A 12 ASP H A 13 LYS HA 1.0 1.8 5.0 225 188 A 12 ASP H A 13 LYS HBx 1.0 1.8 6.0 226 188 A 12 ASP H A 13 LYS HBy 1.0 1.8 6.0 227 189 A 12 ASP H A 13 LYS HGy 1.0 1.8 6.0 228 189 A 12 ASP H A 13 LYS HGx 1.0 1.8 6.0 229 190 A 12 ASP H A 52 LEU HD1% 1.0 1.8 6.0 230 191 A 12 ASP HA A 13 LYS H 1.0 1.8 3.5 231 192 A 52 LEU HD1% A 12 ASP HA 1.0 1.8 6.0 232 193 A 12 ASP HA A 53 LYS HBx 1.0 1.8 5.0 233 194 A 12 ASP HA A 53 LYS HBy 1.0 1.8 5.0 234 195 A 12 ASP HA A 53 LYS HDx 1.0 1.8 6.0 235 195 A 53 LYS HDy A 12 ASP HA 1.0 1.8 6.0 236 196 A 13 LYS H A 12 ASP HBy 1.0 1.8 5.0 237 197 A 12 ASP HBx A 13 LYS H 1.0 1.8 5.0 238 198 A 13 LYS HA A 12 ASP HBy 1.0 1.8 6.0 239 198 A 12 ASP HBx A 13 LYS HA 1.0 1.8 6.0 240 199 A 12 ASP HBy A 53 LYS HBy 1.0 1.8 7.0 241 199 A 12 ASP HBx A 53 LYS HBy 1.0 1.8 7.0 242 199 A 53 LYS HBx A 12 ASP HBy 1.0 1.8 7.0 243 199 A 12 ASP HBx A 53 LYS HBx 1.0 1.8 7.0 244 200 A 13 LYS H A 13 LYS HA 1.0 1.8 5.0 245 201 A 13 LYS H A 13 LYS HBy 1.0 1.8 5.0 246 202 A 13 LYS H A 13 LYS HBx 1.0 1.8 5.0 247 203 A 13 LYS H A 13 LYS HGx 1.0 1.8 5.0 248 204 A 13 LYS H A 13 LYS HGy 1.0 1.8 5.0 249 205 A 52 LEU HD1% A 13 LYS H 1.0 1.8 6.0 250 206 A 13 LYS HA A 13 LYS HDx 1.0 1.8 6.0 251 206 A 13 LYS HA A 13 LYS HDy 1.0 1.8 6.0 252 207 A 13 LYS HA A 13 LYS HGx 1.0 1.8 5.0 253 208 A 13 LYS HA A 13 LYS HGy 1.0 1.8 5.0 254 209 A 13 LYS HA A 14 SER H 1.0 1.8 3.5 255 210 A 13 LYS HA A 14 SER HA 1.0 1.8 5.0 256 211 A 13 LYS HA A 15 ARG H 1.0 1.8 5.0 257 212 A 52 LEU HD1% A 13 LYS HA 1.0 1.8 6.0 258 213 A 13 LYS HBy A 13 LYS HDy 1.0 1.8 6.0 259 213 A 13 LYS HBy A 13 LYS HDx 1.0 1.8 6.0 260 214 A 13 LYS HDy A 13 LYS HBx 1.0 1.8 6.0 261 214 A 13 LYS HBx A 13 LYS HDx 1.0 1.8 6.0 262 215 A 13 LYS HBy A 13 LYS HEy 1.0 1.8 7.0 263 215 A 13 LYS HBx A 13 LYS HEy 1.0 1.8 7.0 264 215 A 13 LYS HEx A 13 LYS HBx 1.0 1.8 7.0 265 215 A 13 LYS HBy A 13 LYS HEx 1.0 1.8 7.0 266 216 A 13 LYS HBy A 14 SER H 1.0 1.8 5.0 267 217 A 14 SER H A 13 LYS HBx 1.0 1.8 5.0 268 218 A 13 LYS HBy A 15 ARG H 1.0 1.8 5.0 269 219 A 15 ARG H A 13 LYS HBx 1.0 1.8 5.0 270 220 A 13 LYS HGx A 13 LYS HEx 1.0 1.8 6.0 271 220 A 13 LYS HGx A 13 LYS HEy 1.0 1.8 6.0 272 221 A 13 LYS HEx A 13 LYS HGy 1.0 1.8 6.0 273 221 A 13 LYS HEy A 13 LYS HGy 1.0 1.8 6.0 274 222 A 13 LYS HGx A 14 SER H 1.0 1.8 5.0 275 223 A 14 SER H A 13 LYS HGy 1.0 1.8 5.0 276 224 A 13 LYS HGx A 15 ARG HBx 1.0 1.8 7.0 277 224 A 13 LYS HGy A 15 ARG HBx 1.0 1.8 7.0 278 224 A 15 ARG HBy A 13 LYS HGy 1.0 1.8 7.0 279 224 A 13 LYS HGx A 15 ARG HBy 1.0 1.8 7.0 280 225 A 14 SER H A 14 SER HA 1.0 1.8 5.0 281 226 A 14 SER H A 14 SER HBy 1.0 1.8 5.0 282 227 A 14 SER H A 14 SER HBx 1.0 1.8 5.0 283 228 A 14 SER H A 15 ARG H 1.0 1.8 3.5 284 229 A 14 SER H A 15 ARG HBx 1.0 1.8 6.0 285 229 A 14 SER H A 15 ARG HBy 1.0 1.8 6.0 286 230 A 52 LEU HD1% A 14 SER H 1.0 1.8 6.0 287 231 A 14 SER H A 52 LEU HD2% 1.0 1.8 6.0 288 232 A 14 SER HA A 15 ARG H 1.0 1.8 5.0 289 233 A 14 SER HA A 33 GLN HA 1.0 1.8 5.0 290 234 A 14 SER HA A 34 ILE H 1.0 1.8 5.0 291 235 A 14 SER HA A 34 ILE HB 1.0 1.8 5.0 292 236 A 14 SER HA A 34 ILE HD1% 1.0 1.8 6.0 293 237 A 52 LEU HD1% A 14 SER HA 1.0 1.8 6.0 294 238 A 14 SER HA A 52 LEU HD2% 1.0 1.8 6.0 295 239 A 15 ARG H A 14 SER HBy 1.0 1.8 5.0 296 240 A 15 ARG H A 14 SER HBx 1.0 1.8 5.0 297 241 A 15 ARG HA A 14 SER HBy 1.0 1.8 6.0 298 241 A 14 SER HBx A 15 ARG HA 1.0 1.8 6.0 299 242 A 33 GLN HA A 14 SER HBy 1.0 1.8 5.0 300 243 A 33 GLN HA A 14 SER HBx 1.0 1.8 5.0 301 244 A 33 GLN HE2x A 14 SER HBy 1.0 1.8 5.0 302 245 A 33 GLN HE2y A 14 SER HBy 1.0 1.8 5.0 303 246 A 14 SER HBx A 33 GLN HE2x 1.0 1.8 5.0 304 247 A 14 SER HBx A 33 GLN HE2y 1.0 1.8 5.0 305 248 A 34 ILE H A 14 SER HBy 1.0 1.8 5.0 306 249 A 34 ILE H A 14 SER HBx 1.0 1.8 5.0 307 250 A 34 ILE HB A 14 SER HBy 1.0 1.8 5.0 308 251 A 34 ILE HB A 14 SER HBx 1.0 1.8 5.0 309 252 A 34 ILE HD1% A 14 SER HBy 1.0 1.8 6.0 310 253 A 34 ILE HD1% A 14 SER HBx 1.0 1.8 6.0 311 254 A 52 LEU HD2% A 14 SER HBy 1.0 1.8 6.0 312 255 A 52 LEU HD1% A 14 SER HBx 1.0 1.8 6.0 313 256 A 52 LEU HD2% A 14 SER HBx 1.0 1.8 6.0 314 257 A 15 ARG H A 15 ARG HA 1.0 1.8 5.0 315 258 A 15 ARG H A 15 ARG HBx 1.0 1.8 5.0 316 259 A 15 ARG H A 15 ARG HBy 1.0 1.8 5.0 317 260 A 15 ARG H A 15 ARG HGx 1.0 1.8 6.0 318 260 A 15 ARG H A 15 ARG HGy 1.0 1.8 6.0 319 261 A 15 ARG H A 15 ARG HDy 1.0 1.8 5.0 320 262 A 15 ARG H A 15 ARG HDx 1.0 1.8 5.0 321 263 A 15 ARG H A 16 VAL H 1.0 1.8 5.0 322 264 A 15 ARG H A 34 ILE HD1% 1.0 1.8 6.0 323 265 A 15 ARG HA A 15 ARG HGx 1.0 1.8 5.0 324 266 A 15 ARG HA A 15 ARG HGy 1.0 1.8 5.0 325 267 A 15 ARG HA A 15 ARG HDx 1.0 1.8 6.0 326 267 A 15 ARG HA A 15 ARG HDy 1.0 1.8 6.0 327 268 A 15 ARG HA A 16 VAL H 1.0 1.8 3.5 328 269 A 16 VAL HG2% A 15 ARG HA 1.0 1.8 6.0 329 270 A 33 GLN HA A 15 ARG HA 1.0 1.8 5.0 330 271 A 15 ARG HA A 33 GLN HBy 1.0 1.8 6.0 331 271 A 15 ARG HA A 33 GLN HBx 1.0 1.8 6.0 332 272 A 34 ILE H A 15 ARG HA 1.0 1.8 5.0 333 273 A 15 ARG HDy A 15 ARG HBx 1.0 1.8 6.0 334 273 A 15 ARG HBx A 15 ARG HDx 1.0 1.8 6.0 335 274 A 15 ARG HBy A 15 ARG HDy 1.0 1.8 6.0 336 274 A 15 ARG HBy A 15 ARG HDx 1.0 1.8 6.0 337 275 A 16 VAL H A 15 ARG HBx 1.0 1.8 5.0 338 276 A 15 ARG HBy A 16 VAL H 1.0 1.8 5.0 339 277 A 33 GLN HE2x A 15 ARG HBx 1.0 1.8 6.0 340 277 A 15 ARG HBy A 33 GLN HE2x 1.0 1.8 6.0 341 278 A 33 GLN HE2y A 15 ARG HBx 1.0 1.8 6.0 342 278 A 15 ARG HBy A 33 GLN HE2y 1.0 1.8 6.0 343 279 A 16 VAL H A 15 ARG HGx 1.0 1.8 5.0 344 280 A 15 ARG HGy A 16 VAL H 1.0 1.8 5.0 345 281 A 31 TRP HZ3 A 15 ARG HGx 1.0 1.8 6.0 346 281 A 15 ARG HGy A 31 TRP HZ3 1.0 1.8 6.0 347 282 A 31 TRP HE3 A 15 ARG HGx 1.0 1.8 6.0 348 282 A 15 ARG HGy A 31 TRP HE3 1.0 1.8 6.0 349 283 A 33 GLN HE2x A 15 ARG HGx 1.0 1.8 6.0 350 283 A 33 GLN HE2y A 15 ARG HGx 1.0 1.8 6.0 351 284 A 33 GLN HE2x A 15 ARG HGy 1.0 1.8 6.0 352 284 A 33 GLN HE2y A 15 ARG HGy 1.0 1.8 6.0 353 285 A 33 GLN HE2x A 15 ARG HDy 1.0 1.8 6.0 354 285 A 33 GLN HE2y A 15 ARG HDy 1.0 1.8 6.0 355 286 A 33 GLN HE2x A 15 ARG HDx 1.0 1.8 6.0 356 286 A 33 GLN HE2y A 15 ARG HDx 1.0 1.8 6.0 357 287 A 16 VAL H A 16 VAL HA 1.0 1.8 5.0 358 288 A 16 VAL H A 16 VAL HB 1.0 1.8 5.0 359 289 A 16 VAL HG1% A 16 VAL H 1.0 1.8 6.0 360 290 A 16 VAL HG2% A 16 VAL H 1.0 1.8 6.0 361 291 A 16 VAL H A 17 ALA H 1.0 1.8 5.0 362 292 A 16 VAL H A 17 ALA HA 1.0 1.8 5.0 363 293 A 16 VAL H A 32 LEU H 1.0 1.8 5.0 364 294 A 16 VAL H A 32 LEU HBy 1.0 1.8 6.0 365 294 A 16 VAL H A 32 LEU HBx 1.0 1.8 6.0 366 295 A 33 GLN HA A 16 VAL H 1.0 1.8 5.0 367 296 A 16 VAL HG1% A 16 VAL HA 1.0 1.8 6.0 368 297 A 16 VAL HG2% A 16 VAL HA 1.0 1.8 6.0 369 298 A 16 VAL HA A 17 ALA H 1.0 1.8 2.9 370 299 A 16 VAL HA A 17 ALA HB% 1.0 1.8 6.0 371 300 A 16 VAL HB A 17 ALA H 1.0 1.8 5.0 372 301 A 16 VAL HB A 18 CYS HBx 1.0 1.8 6.0 373 301 A 16 VAL HB A 18 CYS HBy 1.0 1.8 6.0 374 302 A 16 VAL HB A 32 LEU HD2% 1.0 1.8 6.0 375 303 A 16 VAL HG1% A 17 ALA H 1.0 1.8 6.0 376 304 A 16 VAL HG2% A 17 ALA H 1.0 1.8 6.0 377 305 A 16 VAL HG1% A 18 CYS H 1.0 1.8 6.0 378 306 A 16 VAL HG1% A 32 LEU H 1.0 1.8 6.0 379 307 A 16 VAL HG2% A 32 LEU H 1.0 1.8 6.0 380 308 A 16 VAL HG1% A 32 LEU HD1% 1.0 1.8 7.0 381 309 A 16 VAL HG1% A 32 LEU HD2% 1.0 1.8 7.0 382 310 A 16 VAL HG2% A 34 ILE HG1y 1.0 1.8 7.0 383 310 A 16 VAL HG2% A 34 ILE HG1x 1.0 1.8 7.0 384 311 A 16 VAL HG2% A 34 ILE HG2% 1.0 1.8 7.0 385 312 A 16 VAL HG2% A 34 ILE HD1% 1.0 1.8 7.0 386 313 A 16 VAL HG2% A 50 TYR HBy 1.0 1.8 7.0 387 313 A 16 VAL HG2% A 50 TYR HBx 1.0 1.8 7.0 388 314 A 50 TYR HD% A 16 VAL HG1% 1.0 1.8 8.0 389 315 A 50 TYR HD% A 16 VAL HG2% 1.0 1.8 8.0 390 316 A 50 TYR HE% A 16 VAL HG1% 1.0 1.8 8.0 391 317 A 50 TYR HE% A 16 VAL HG2% 1.0 1.8 8.0 392 318 A 17 ALA H A 17 ALA HA 1.0 1.8 5.0 393 319 A 17 ALA H A 17 ALA HB% 1.0 1.8 5.6 394 320 A 17 ALA H A 18 CYS H 1.0 1.8 5.0 395 321 A 31 TRP HZ3 A 17 ALA H 1.0 1.8 5.0 396 322 A 31 TRP HE3 A 17 ALA H 1.0 1.8 5.0 397 323 A 17 ALA H A 32 LEU H 1.0 1.8 5.0 398 324 A 17 ALA HA A 18 CYS H 1.0 1.8 5.0 399 325 A 17 ALA HA A 18 CYS HBx 1.0 1.8 6.0 400 325 A 17 ALA HA A 18 CYS HBy 1.0 1.8 6.0 401 326 A 17 ALA HA A 29 ARG HDy 1.0 1.8 6.0 402 326 A 17 ALA HA A 29 ARG HDx 1.0 1.8 6.0 403 327 A 17 ALA HA A 29 ARG HGx 1.0 1.8 6.0 404 327 A 17 ALA HA A 29 ARG HGy 1.0 1.8 6.0 405 328 A 17 ALA HA A 30 VAL H 1.0 1.8 5.0 406 329 A 17 ALA HA A 31 TRP HA 1.0 1.8 5.0 407 330 A 31 TRP HE3 A 17 ALA HA 1.0 1.8 5.0 408 331 A 17 ALA HA A 32 LEU H 1.0 1.8 5.0 409 332 A 17 ALA HB% A 18 CYS H 1.0 1.8 6.0 410 333 A 17 ALA HB% A 29 ARG HDx 1.0 1.8 6.0 411 334 A 17 ALA HB% A 29 ARG HDy 1.0 1.8 6.0 412 335 A 17 ALA HB% A 29 ARG HGx 1.0 1.8 6.0 413 336 A 17 ALA HB% A 29 ARG HGy 1.0 1.8 6.0 414 337 A 17 ALA HB% A 29 ARG HE 1.0 1.8 6.0 415 338 A 17 ALA HB% A 30 VAL H 1.0 1.8 6.0 416 339 A 17 ALA HB% A 31 TRP HE1 1.0 1.8 6.0 417 340 A 17 ALA HB% A 31 TRP HH2 1.0 1.8 6.0 418 341 A 31 TRP HZ3 A 17 ALA HB% 1.0 1.8 6.0 419 342 A 31 TRP HE3 A 17 ALA HB% 1.0 1.8 6.0 420 343 A 18 CYS H A 18 CYS HA 1.0 1.8 5.0 421 344 A 18 CYS HBy A 18 CYS H 1.0 1.8 5.0 422 345 A 18 CYS H A 18 CYS HBx 1.0 1.8 5.0 423 346 A 18 CYS H A 30 VAL H 1.0 1.8 5.0 424 347 A 18 CYS H A 30 VAL HB 1.0 1.8 5.0 425 348 A 18 CYS H A 30 VAL HGx% 1.0 1.8 7.4 426 348 A 18 CYS H A 30 VAL HGy% 1.0 1.8 7.4 427 349 A 18 CYS H A 31 TRP HA 1.0 1.8 5.0 428 350 A 32 LEU H A 18 CYS H 1.0 1.8 5.0 429 351 A 18 CYS H A 32 LEU HBy 1.0 1.8 6.0 430 351 A 32 LEU HBx A 18 CYS H 1.0 1.8 6.0 431 352 A 32 LEU HD2% A 18 CYS H 1.0 1.8 6.0 432 353 A 18 CYS HA A 19 ASP H 1.0 1.8 3.5 433 354 A 18 CYS HA A 20 GLY H 1.0 1.8 5.0 434 355 A 18 CYS HBy A 19 ASP H 1.0 1.8 5.0 435 356 A 19 ASP H A 18 CYS HBx 1.0 1.8 5.0 436 357 A 20 GLY H A 18 CYS HBx 1.0 1.8 6.0 437 357 A 18 CYS HBy A 20 GLY H 1.0 1.8 6.0 438 358 A 30 VAL HB A 18 CYS HBx 1.0 1.8 6.0 439 358 A 18 CYS HBy A 30 VAL HB 1.0 1.8 6.0 440 359 A 18 CYS HBx A 30 VAL HGx% 1.0 1.8 7.0 441 359 A 18 CYS HBy A 30 VAL HGx% 1.0 1.8 7.0 442 360 A 30 VAL HGy% A 18 CYS HBx 1.0 1.8 7.0 443 360 A 18 CYS HBy A 30 VAL HGy% 1.0 1.8 7.0 444 361 A 18 CYS HBx A 30 VAL HGx% 1.0 1.8 7.0 445 361 A 18 CYS HBy A 30 VAL HGx% 1.0 1.8 7.0 446 362 A 18 CYS HBy A 32 LEU HD2% 1.0 1.8 6.0 447 363 A 32 LEU HD2% A 18 CYS HBx 1.0 1.8 6.0 448 364 A 18 CYS HBy A 43 CYS HBx 1.0 1.8 6.0 449 364 A 43 CYS HBx A 18 CYS HBx 1.0 1.8 6.0 450 365 A 18 CYS HBx A 43 CYS HBy 1.0 1.8 6.0 451 365 A 18 CYS HBy A 43 CYS HBy 1.0 1.8 6.0 452 366 A 50 TYR HE% A 18 CYS HBy 1.0 1.8 7.0 453 367 A 50 TYR HE% A 18 CYS HBx 1.0 1.8 7.0 454 368 A 19 ASP H A 19 ASP HA 1.0 1.8 5.0 455 369 A 19 ASP H A 19 ASP HBy 1.0 1.8 5.0 456 370 A 19 ASP H A 19 ASP HBx 1.0 1.8 5.0 457 371 A 19 ASP H A 20 GLY H 1.0 1.8 3.5 458 372 A 19 ASP H A 20 GLY HAx 1.0 1.8 5.6 459 372 A 19 ASP H A 20 GLY HAy 1.0 1.8 5.6 460 373 A 20 GLY H A 19 ASP HA 1.0 1.8 5.0 461 374 A 19 ASP HA A 20 GLY HAx 1.0 1.8 5.6 462 374 A 19 ASP HA A 20 GLY HAy 1.0 1.8 5.6 463 375 A 19 ASP HA A 27 HIS H 1.0 1.8 5.0 464 376 A 20 GLY H A 19 ASP HBy 1.0 1.8 6.0 465 376 A 20 GLY H A 19 ASP HBx 1.0 1.8 6.0 466 377 A 20 GLY H A 20 GLY HAy 1.0 1.8 5.0 467 378 A 20 GLY H A 20 GLY HAx 1.0 1.8 5.0 468 379 A 20 GLY H A 21 GLY H 1.0 1.8 5.0 469 380 A 20 GLY H A 27 HIS H 1.0 1.8 5.0 470 381 A 20 GLY HAy A 21 GLY H 1.0 1.8 5.0 471 382 A 21 GLY H A 20 GLY HAx 1.0 1.8 5.0 472 383 A 20 GLY HAy A 21 GLY HAx 1.0 1.8 6.2 473 383 A 20 GLY HAx A 21 GLY HAx 1.0 1.8 6.2 474 383 A 21 GLY HAy A 20 GLY HAx 1.0 1.8 6.2 475 383 A 20 GLY HAy A 21 GLY HAy 1.0 1.8 6.2 476 384 A 20 GLY HAy A 27 HIS H 1.0 1.8 5.0 477 385 A 27 HIS H A 20 GLY HAx 1.0 1.8 5.0 478 386 A 20 GLY HAy A 27 HIS HE1 1.0 1.8 5.0 479 387 A 27 HIS HE1 A 20 GLY HAx 1.0 1.8 5.0 480 388 A 21 GLY H A 21 GLY HAy 1.0 1.8 5.0 481 389 A 21 GLY H A 21 GLY HAx 1.0 1.8 5.0 482 390 A 21 GLY H A 22 GLU H 1.0 1.8 5.0 483 391 A 21 GLY H A 25 LEU HBx 1.0 1.8 4.5 484 391 A 21 GLY H A 25 LEU HBy 1.0 1.8 4.5 485 392 A 21 GLY H A 25 LEU HD1% 1.0 1.8 6.0 486 393 A 21 GLY H A 26 GLY HAy 1.0 1.8 5.0 487 394 A 21 GLY H A 26 GLY HAx 1.0 1.8 5.0 488 395 A 21 GLY HAy A 22 GLU H 1.0 1.8 3.5 489 396 A 22 GLU H A 21 GLY HAx 1.0 1.8 5.0 490 397 A 25 LEU HA A 21 GLY HAx 1.0 1.8 6.0 491 397 A 21 GLY HAy A 25 LEU HA 1.0 1.8 6.0 492 398 A 21 GLY HAy A 25 LEU HBy 1.0 1.8 6.0 493 398 A 21 GLY HAy A 25 LEU HBx 1.0 1.8 6.0 494 399 A 25 LEU HBy A 21 GLY HAx 1.0 1.8 6.0 495 399 A 21 GLY HAx A 25 LEU HBx 1.0 1.8 6.0 496 400 A 21 GLY HAy A 25 LEU HD1% 1.0 1.8 6.0 497 401 A 25 LEU HD1% A 21 GLY HAx 1.0 1.8 6.0 498 402 A 22 GLU H A 22 GLU HA 1.0 1.8 5.0 499 403 A 22 GLU H A 22 GLU HBx 1.0 1.8 5.0 500 404 A 22 GLU H A 22 GLU HBy 1.0 1.8 5.0 501 405 A 22 GLU H A 22 GLU HGx 1.0 1.8 6.0 502 405 A 22 GLU H A 22 GLU HGy 1.0 1.8 6.0 503 406 A 22 GLU H A 23 GLY H 1.0 1.8 5.0 504 407 A 22 GLU H A 25 LEU HBx 1.0 1.8 4.5 505 407 A 22 GLU H A 25 LEU HBy 1.0 1.8 4.5 506 408 A 22 GLU H A 25 LEU HD1% 1.0 1.8 6.0 507 409 A 22 GLU HA A 22 GLU HGx 1.0 1.8 6.0 508 409 A 22 GLU HA A 22 GLU HGy 1.0 1.8 6.0 509 410 A 22 GLU HA A 23 GLY H 1.0 1.8 3.5 510 411 A 22 GLU HA A 23 GLY HAy 1.0 1.8 5.6 511 411 A 22 GLU HA A 23 GLY HAx 1.0 1.8 5.6 512 412 A 22 GLU HBx A 23 GLY H 1.0 1.8 5.0 513 413 A 22 GLU HBy A 23 GLY H 1.0 1.8 5.0 514 414 A 23 GLY H A 22 GLU HGx 1.0 1.8 6.0 515 414 A 22 GLU HGy A 23 GLY H 1.0 1.8 6.0 516 415 A 23 GLY H A 23 GLY HAx 1.0 1.8 3.5 517 416 A 23 GLY H A 23 GLY HAy 1.0 1.8 3.5 518 417 A 23 GLY H A 25 LEU H 1.0 1.8 5.0 519 418 A 23 GLY HAx A 24 ALA H 1.0 1.8 5.0 520 419 A 24 ALA H A 23 GLY HAy 1.0 1.8 5.0 521 420 A 24 ALA HB% A 23 GLY HAy 1.0 1.8 6.6 522 420 A 23 GLY HAx A 24 ALA HB% 1.0 1.8 6.6 523 421 A 23 GLY HAx A 25 LEU H 1.0 1.8 5.0 524 422 A 25 LEU H A 23 GLY HAy 1.0 1.8 5.0 525 423 A 24 ALA H A 24 ALA HA 1.0 1.8 5.0 526 424 A 24 ALA H A 24 ALA HB% 1.0 1.8 5.6 527 425 A 25 LEU H A 24 ALA H 1.0 1.8 3.5 528 426 A 24 ALA H A 26 GLY H 1.0 1.8 5.0 529 427 A 25 LEU H A 24 ALA HA 1.0 1.8 5.0 530 428 A 25 LEU HA A 24 ALA HA 1.0 1.8 5.0 531 429 A 25 LEU H A 24 ALA HB% 1.0 1.8 6.0 532 430 A 25 LEU HA A 24 ALA HB% 1.0 1.8 6.0 533 431 A 24 ALA HB% A 25 LEU HG 1.0 1.8 6.0 534 432 A 24 ALA HB% A 26 GLY H 1.0 1.8 6.0 535 433 A 25 LEU HA A 25 LEU H 1.0 1.8 3.5 536 434 A 25 LEU H A 25 LEU HBx 1.0 1.8 4.5 537 434 A 25 LEU HBy A 25 LEU H 1.0 1.8 4.5 538 435 A 25 LEU H A 25 LEU HG 1.0 1.8 5.0 539 436 A 25 LEU HD1% A 25 LEU H 1.0 1.8 6.0 540 437 A 25 LEU H A 25 LEU HD2% 1.0 1.8 6.0 541 438 A 25 LEU H A 26 GLY H 1.0 1.8 2.9 542 439 A 25 LEU HA A 25 LEU HG 1.0 1.8 5.0 543 440 A 25 LEU HA A 25 LEU HD2% 1.0 1.8 6.0 544 441 A 25 LEU HA A 26 GLY H 1.0 1.8 3.5 545 442 A 25 LEU HD1% A 25 LEU HBx 1.0 1.8 7.0 546 442 A 25 LEU HBy A 25 LEU HD1% 1.0 1.8 7.0 547 443 A 25 LEU HD2% A 25 LEU HBx 1.0 1.8 7.0 548 443 A 25 LEU HBy A 25 LEU HD2% 1.0 1.8 7.0 549 444 A 26 GLY H A 25 LEU HBx 1.0 1.8 6.0 550 444 A 25 LEU HBy A 26 GLY H 1.0 1.8 6.0 551 445 A 26 GLY HAy A 26 GLY H 1.0 1.8 3.5 552 446 A 26 GLY HAx A 26 GLY H 1.0 1.8 3.5 553 447 A 27 HIS H A 26 GLY HAy 1.0 1.8 3.5 554 448 A 27 HIS H A 26 GLY HAx 1.0 1.8 3.5 555 449 A 27 HIS H A 27 HIS HA 1.0 1.8 5.0 556 450 A 27 HIS H A 27 HIS HBx 1.0 1.8 5.0 557 451 A 27 HIS H A 27 HIS HBy 1.0 1.8 5.0 558 452 A 27 HIS HA A 27 HIS HD2 1.0 1.8 5.0 559 453 A 27 HIS HA A 28 PRO HDy 1.0 1.8 5.0 560 454 A 27 HIS HA A 28 PRO HDx 1.0 1.8 5.0 561 455 A 27 HIS HA A 30 VAL HGx% 1.0 1.8 7.4 562 455 A 30 VAL HGy% A 27 HIS HA 1.0 1.8 7.4 563 456 A 27 HIS HBx A 28 PRO HGy 1.0 1.8 7.0 564 456 A 27 HIS HBy A 28 PRO HGy 1.0 1.8 7.0 565 456 A 28 PRO HGx A 27 HIS HBy 1.0 1.8 7.0 566 456 A 27 HIS HBx A 28 PRO HGx 1.0 1.8 7.0 567 457 A 27 HIS HBx A 28 PRO HDy 1.0 1.8 6.0 568 457 A 27 HIS HBx A 28 PRO HDx 1.0 1.8 6.0 569 458 A 28 PRO HDy A 27 HIS HBy 1.0 1.8 6.0 570 458 A 27 HIS HBy A 28 PRO HDx 1.0 1.8 6.0 571 459 A 29 ARG HA A 27 HIS HBy 1.0 1.8 6.0 572 459 A 27 HIS HBx A 29 ARG HA 1.0 1.8 6.0 573 460 A 27 HIS HBy A 30 VAL HGx% 1.0 1.8 8.4 574 460 A 27 HIS HBx A 30 VAL HGx% 1.0 1.8 8.4 575 460 A 30 VAL HGy% A 27 HIS HBy 1.0 1.8 8.4 576 460 A 30 VAL HGy% A 27 HIS HBx 1.0 1.8 8.4 577 461 A 27 HIS HE1 A 45 TYR HBy 1.0 1.8 5.0 578 462 A 27 HIS HE1 A 45 TYR HBx 1.0 1.8 5.0 579 463 A 27 HIS HE1 A 46 CYS H 1.0 1.8 5.0 580 464 A 27 HIS HE1 A 46 CYS HBy 1.0 1.8 5.0 581 465 A 27 HIS HE1 A 46 CYS HBx 1.0 1.8 5.0 582 466 A 28 PRO HA A 29 ARG H 1.0 1.8 3.5 583 467 A 29 ARG H A 28 PRO HBy 1.0 1.8 6.0 584 467 A 29 ARG H A 28 PRO HBx 1.0 1.8 6.0 585 468 A 29 ARG HDx A 29 ARG H 1.0 1.8 5.0 586 469 A 29 ARG H A 29 ARG HDy 1.0 1.8 5.0 587 470 A 29 ARG H A 29 ARG HGx 1.0 1.8 6.0 588 470 A 29 ARG HGy A 29 ARG H 1.0 1.8 6.0 589 471 A 29 ARG H A 29 ARG HBx 1.0 1.8 3.5 590 472 A 29 ARG H A 29 ARG HBy 1.0 1.8 3.5 591 473 A 29 ARG HA A 29 ARG H 1.0 1.8 5.0 592 474 A 30 VAL H A 29 ARG H 1.0 1.8 2.9 593 475 A 29 ARG H A 30 VAL HGx% 1.0 1.8 6.0 594 476 A 30 VAL HGy% A 29 ARG H 1.0 1.8 6.0 595 477 A 29 ARG HDx A 30 VAL H 1.0 1.8 5.0 596 478 A 30 VAL H A 29 ARG HDy 1.0 1.8 5.0 597 479 A 29 ARG HDx A 31 TRP HE1 1.0 1.8 5.0 598 480 A 31 TRP HE1 A 29 ARG HDy 1.0 1.8 5.0 599 481 A 29 ARG HE A 29 ARG HGx 1.0 1.8 5.0 600 482 A 29 ARG HGy A 29 ARG HE 1.0 1.8 5.0 601 483 A 30 VAL H A 29 ARG HGx 1.0 1.8 5.0 602 484 A 29 ARG HGy A 30 VAL H 1.0 1.8 5.0 603 485 A 31 TRP HE1 A 29 ARG HGx 1.0 1.8 5.0 604 486 A 29 ARG HGy A 31 TRP HE1 1.0 1.8 5.0 605 487 A 29 ARG HDx A 29 ARG HBx 1.0 1.8 5.0 606 488 A 29 ARG HBx A 29 ARG HDy 1.0 1.8 5.0 607 489 A 29 ARG HDx A 29 ARG HBy 1.0 1.8 5.0 608 490 A 29 ARG HBy A 29 ARG HDy 1.0 1.8 5.0 609 491 A 29 ARG HE A 29 ARG HBx 1.0 1.8 5.0 610 492 A 29 ARG HE A 29 ARG HBy 1.0 1.8 5.0 611 493 A 30 VAL H A 29 ARG HBx 1.0 1.8 5.0 612 494 A 30 VAL H A 29 ARG HBy 1.0 1.8 5.0 613 495 A 31 TRP HE1 A 29 ARG HBx 1.0 1.8 5.0 614 496 A 31 TRP HE1 A 29 ARG HBy 1.0 1.8 5.0 615 497 A 29 ARG HA A 29 ARG HDy 1.0 1.8 6.0 616 497 A 29 ARG HDx A 29 ARG HA 1.0 1.8 6.0 617 498 A 29 ARG HA A 29 ARG HGx 1.0 1.8 5.0 618 499 A 29 ARG HGy A 29 ARG HA 1.0 1.8 5.0 619 500 A 30 VAL H A 29 ARG HA 1.0 1.8 2.9 620 501 A 29 ARG HA A 30 VAL HGx% 1.0 1.8 7.4 621 501 A 30 VAL HGy% A 29 ARG HA 1.0 1.8 7.4 622 502 A 29 ARG HE A 31 TRP HE1 1.0 1.8 5.0 623 503 A 30 VAL H A 30 VAL HA 1.0 1.8 5.0 624 504 A 30 VAL H A 30 VAL HB 1.0 1.8 5.0 625 505 A 30 VAL H A 30 VAL HGx% 1.0 1.8 6.7 626 505 A 30 VAL H A 30 VAL HGy% 1.0 1.8 6.7 627 506 A 30 VAL H A 30 VAL HGy% 1.0 1.8 6.0 628 507 A 32 LEU HD1% A 30 VAL H 1.0 1.8 6.0 629 508 A 30 VAL HA A 30 VAL HGx% 1.0 1.8 6.0 630 509 A 30 VAL HGy% A 30 VAL HA 1.0 1.8 6.0 631 510 A 30 VAL HA A 31 TRP H 1.0 1.8 3.5 632 511 A 30 VAL HA A 31 TRP HD1 1.0 1.8 5.0 633 512 A 30 VAL HB A 31 TRP H 1.0 1.8 5.0 634 513 A 30 VAL HB A 45 TYR HE% 1.0 1.8 7.0 635 514 A 31 TRP H A 30 VAL HGx% 1.0 1.8 7.4 636 514 A 30 VAL HGy% A 31 TRP H 1.0 1.8 7.4 637 515 A 32 LEU HD1% A 30 VAL HGx% 1.0 1.8 8.4 638 515 A 32 LEU HD1% A 30 VAL HGy% 1.0 1.8 8.4 639 516 A 30 VAL HGx% A 44 PRO HGy 1.0 1.8 8.4 640 516 A 44 PRO HGx A 30 VAL HGx% 1.0 1.8 8.4 641 516 A 30 VAL HGy% A 44 PRO HGx 1.0 1.8 8.4 642 516 A 30 VAL HGy% A 44 PRO HGy 1.0 1.8 8.4 643 517 A 44 PRO HDy A 30 VAL HGx% 1.0 1.8 7.0 644 517 A 30 VAL HGx% A 44 PRO HDx 1.0 1.8 7.0 645 518 A 30 VAL HGy% A 44 PRO HDy 1.0 1.8 7.0 646 518 A 30 VAL HGy% A 44 PRO HDx 1.0 1.8 7.0 647 519 A 45 TYR HD% A 30 VAL HGx% 1.0 1.8 9.4 648 519 A 30 VAL HGy% A 45 TYR HD% 1.0 1.8 9.4 649 520 A 45 TYR HE% A 30 VAL HGx% 1.0 1.8 8.0 650 521 A 30 VAL HGy% A 45 TYR HE% 1.0 1.8 8.0 651 522 A 31 TRP HA A 31 TRP H 1.0 1.8 5.0 652 523 A 31 TRP H A 31 TRP HBx 1.0 1.8 5.0 653 524 A 31 TRP H A 31 TRP HBy 1.0 1.8 5.0 654 525 A 31 TRP H A 31 TRP HD1 1.0 1.8 5.0 655 526 A 32 LEU H A 31 TRP H 1.0 1.8 5.0 656 527 A 32 LEU H A 31 TRP HA 1.0 1.8 2.9 657 528 A 31 TRP HE1 A 31 TRP HBx 1.0 1.8 6.0 658 528 A 31 TRP HE1 A 31 TRP HBy 1.0 1.8 6.0 659 529 A 31 TRP HD1 A 31 TRP HBx 1.0 1.8 5.0 660 530 A 31 TRP HD1 A 31 TRP HBy 1.0 1.8 5.0 661 531 A 31 TRP HE3 A 31 TRP HBx 1.0 1.8 5.0 662 532 A 31 TRP HE3 A 31 TRP HBy 1.0 1.8 5.0 663 533 A 32 LEU H A 31 TRP HBx 1.0 1.8 5.0 664 534 A 32 LEU H A 31 TRP HBy 1.0 1.8 5.0 665 535 A 32 LEU HA A 31 TRP HBx 1.0 1.8 6.0 666 535 A 31 TRP HBy A 32 LEU HA 1.0 1.8 6.0 667 536 A 31 TRP HE3 A 32 LEU H 1.0 1.8 5.0 668 537 A 32 LEU H A 32 LEU HA 1.0 1.8 5.0 669 538 A 32 LEU H A 32 LEU HBy 1.0 1.8 5.0 670 539 A 32 LEU H A 32 LEU HBx 1.0 1.8 5.0 671 540 A 32 LEU H A 32 LEU HG 1.0 1.8 5.0 672 541 A 32 LEU H A 32 LEU HD1% 1.0 1.8 6.0 673 542 A 32 LEU H A 32 LEU HD2% 1.0 1.8 6.0 674 543 A 32 LEU H A 33 GLN H 1.0 1.8 5.0 675 544 A 32 LEU HA A 32 LEU HG 1.0 1.8 5.0 676 545 A 32 LEU HD1% A 32 LEU HA 1.0 1.8 6.0 677 546 A 32 LEU HD2% A 32 LEU HA 1.0 1.8 6.0 678 547 A 32 LEU HA A 33 GLN H 1.0 1.8 3.5 679 548 A 33 GLN HBx A 32 LEU HA 1.0 1.8 5.0 680 549 A 32 LEU HA A 33 GLN HBy 1.0 1.8 5.0 681 550 A 32 LEU HD1% A 32 LEU HBy 1.0 1.8 6.0 682 551 A 32 LEU HD2% A 32 LEU HBy 1.0 1.8 6.0 683 552 A 32 LEU HBx A 32 LEU HD1% 1.0 1.8 6.0 684 553 A 33 GLN H A 32 LEU HBy 1.0 1.8 5.0 685 554 A 32 LEU HBx A 33 GLN H 1.0 1.8 5.0 686 555 A 32 LEU HBy A 41 VAL HGx% 1.0 1.8 8.4 687 555 A 32 LEU HBx A 41 VAL HGx% 1.0 1.8 8.4 688 555 A 41 VAL HGy% A 32 LEU HBy 1.0 1.8 8.4 689 555 A 32 LEU HBx A 41 VAL HGy% 1.0 1.8 8.4 690 556 A 32 LEU HD1% A 33 GLN H 1.0 1.8 6.0 691 557 A 32 LEU HD2% A 33 GLN H 1.0 1.8 6.0 692 558 A 32 LEU HD1% A 41 VAL HGy% 1.0 1.8 7.0 693 559 A 32 LEU HD2% A 41 VAL HGx% 1.0 1.8 7.0 694 560 A 32 LEU HD2% A 43 CYS H 1.0 1.8 6.0 695 561 A 32 LEU HD1% A 43 CYS HA 1.0 1.8 6.0 696 562 A 32 LEU HD2% A 43 CYS HA 1.0 1.8 6.0 697 563 A 32 LEU HD2% A 43 CYS HBx 1.0 1.8 6.0 698 564 A 32 LEU HD2% A 43 CYS HBy 1.0 1.8 6.0 699 565 A 32 LEU HD1% A 44 PRO HDy 1.0 1.8 6.0 700 566 A 32 LEU HD1% A 44 PRO HDx 1.0 1.8 6.0 701 567 A 32 LEU HD2% A 44 PRO HDy 1.0 1.8 6.0 702 568 A 32 LEU HD2% A 44 PRO HDx 1.0 1.8 6.0 703 569 A 50 TYR HD% A 32 LEU HD2% 1.0 1.8 8.0 704 570 A 50 TYR HE% A 32 LEU HD2% 1.0 1.8 8.0 705 571 A 33 GLN HA A 33 GLN H 1.0 1.8 5.0 706 572 A 33 GLN H A 33 GLN HBy 1.0 1.8 4.5 707 572 A 33 GLN HBx A 33 GLN H 1.0 1.8 4.5 708 573 A 33 GLN H A 33 GLN HGx 1.0 1.8 5.0 709 574 A 33 GLN H A 33 GLN HGy 1.0 1.8 5.0 710 575 A 34 ILE H A 33 GLN H 1.0 1.8 5.0 711 576 A 33 GLN H A 41 VAL HGx% 1.0 1.8 7.4 712 576 A 33 GLN H A 41 VAL HGy% 1.0 1.8 7.4 713 577 A 33 GLN HA A 33 GLN HGx 1.0 1.8 5.0 714 578 A 33 GLN HA A 33 GLN HGy 1.0 1.8 5.0 715 579 A 33 GLN HA A 33 GLN HE2x 1.0 1.8 6.0 716 579 A 33 GLN HA A 33 GLN HE2y 1.0 1.8 6.0 717 580 A 33 GLN HA A 34 ILE H 1.0 1.8 3.5 718 581 A 33 GLN HA A 34 ILE HA 1.0 1.8 5.0 719 582 A 33 GLN HA A 34 ILE HB 1.0 1.8 5.0 720 583 A 33 GLN HE2y A 33 GLN HBy 1.0 1.8 7.0 721 583 A 33 GLN HE2x A 33 GLN HBy 1.0 1.8 7.0 722 583 A 33 GLN HE2x A 33 GLN HBx 1.0 1.8 7.0 723 583 A 33 GLN HE2y A 33 GLN HBx 1.0 1.8 7.0 724 584 A 34 ILE H A 33 GLN HBx 1.0 1.8 5.0 725 585 A 34 ILE H A 33 GLN HBy 1.0 1.8 5.0 726 586 A 33 GLN HE2x A 33 GLN HGx 1.0 1.8 5.0 727 587 A 33 GLN HE2y A 33 GLN HGx 1.0 1.8 5.0 728 588 A 33 GLN HE2x A 33 GLN HGy 1.0 1.8 5.0 729 589 A 33 GLN HE2y A 33 GLN HGy 1.0 1.8 5.0 730 590 A 34 ILE H A 33 GLN HGx 1.0 1.8 5.0 731 591 A 34 ILE H A 33 GLN HGy 1.0 1.8 5.0 732 592 A 34 ILE H A 33 GLN HE2x 1.0 1.8 6.0 733 592 A 34 ILE H A 33 GLN HE2y 1.0 1.8 6.0 734 593 A 34 ILE H A 34 ILE HA 1.0 1.8 5.0 735 594 A 34 ILE H A 34 ILE HB 1.0 1.8 5.0 736 595 A 34 ILE HG1x A 34 ILE H 1.0 1.8 5.0 737 596 A 34 ILE H A 34 ILE HG1y 1.0 1.8 5.0 738 597 A 34 ILE H A 34 ILE HG2% 1.0 1.8 6.0 739 598 A 34 ILE H A 34 ILE HD1% 1.0 1.8 6.0 740 599 A 34 ILE H A 41 VAL HGx% 1.0 1.8 7.4 741 599 A 34 ILE H A 41 VAL HGy% 1.0 1.8 7.4 742 600 A 34 ILE HG1x A 34 ILE HA 1.0 1.8 5.0 743 601 A 34 ILE HA A 34 ILE HG1y 1.0 1.8 5.0 744 602 A 34 ILE HG2% A 34 ILE HA 1.0 1.8 5.6 745 603 A 34 ILE HD1% A 34 ILE HA 1.0 1.8 6.0 746 604 A 34 ILE HA A 35 PRO HDy 1.0 1.8 5.0 747 605 A 34 ILE HA A 35 PRO HDx 1.0 1.8 5.0 748 606 A 34 ILE HA A 41 VAL HB 1.0 1.8 5.0 749 607 A 34 ILE HA A 41 VAL HGx% 1.0 1.8 6.0 750 608 A 41 VAL HGy% A 34 ILE HA 1.0 1.8 6.0 751 609 A 34 ILE HB A 34 ILE HD1% 1.0 1.8 6.0 752 610 A 34 ILE HB A 35 PRO HDy 1.0 1.8 5.0 753 611 A 34 ILE HB A 35 PRO HDx 1.0 1.8 5.0 754 612 A 40 TRP HA A 34 ILE HG1y 1.0 1.8 6.0 755 612 A 34 ILE HG1x A 40 TRP HA 1.0 1.8 6.0 756 613 A 34 ILE HG1x A 41 VAL H 1.0 1.8 5.0 757 614 A 41 VAL H A 34 ILE HG1y 1.0 1.8 5.0 758 615 A 41 VAL HB A 34 ILE HG1y 1.0 1.8 6.0 759 615 A 34 ILE HG1x A 41 VAL HB 1.0 1.8 6.0 760 616 A 34 ILE HG1y A 41 VAL HGx% 1.0 1.8 8.4 761 616 A 41 VAL HGy% A 34 ILE HG1y 1.0 1.8 8.4 762 616 A 34 ILE HG1x A 41 VAL HGy% 1.0 1.8 8.4 763 616 A 34 ILE HG1x A 41 VAL HGx% 1.0 1.8 8.4 764 617 A 34 ILE HG2% A 35 PRO HDy 1.0 1.8 6.0 765 618 A 34 ILE HG2% A 35 PRO HDx 1.0 1.8 6.0 766 619 A 34 ILE HG2% A 36 GLU HA 1.0 1.8 6.0 767 620 A 34 ILE HG2% A 38 THR H 1.0 1.8 6.0 768 621 A 34 ILE HG2% A 39 GLY H 1.0 1.8 6.0 769 622 A 34 ILE HG2% A 39 GLY HAy 1.0 1.8 6.0 770 623 A 34 ILE HG2% A 39 GLY HAx 1.0 1.8 6.0 771 624 A 34 ILE HG2% A 40 TRP H 1.0 1.8 6.0 772 625 A 34 ILE HG2% A 40 TRP HA 1.0 1.8 6.0 773 626 A 34 ILE HG2% A 41 VAL H 1.0 1.8 6.0 774 627 A 34 ILE HG2% A 41 VAL HB 1.0 1.8 6.0 775 628 A 51 VAL HA A 34 ILE HG2% 1.0 1.8 6.0 776 629 A 34 ILE HG2% A 52 LEU H 1.0 1.8 6.0 777 630 A 34 ILE HG2% A 52 LEU HBx 1.0 1.8 7.0 778 630 A 34 ILE HG2% A 52 LEU HBy 1.0 1.8 7.0 779 631 A 52 LEU HD2% A 34 ILE HG2% 1.0 1.8 7.0 780 632 A 34 ILE HD1% A 40 TRP HA 1.0 1.8 6.0 781 633 A 34 ILE HD1% A 41 VAL HGx% 1.0 1.8 8.4 782 633 A 34 ILE HD1% A 41 VAL HGy% 1.0 1.8 8.4 783 634 A 34 ILE HD1% A 50 TYR HBy 1.0 1.8 7.0 784 634 A 50 TYR HBx A 34 ILE HD1% 1.0 1.8 7.0 785 635 A 51 VAL HA A 34 ILE HD1% 1.0 1.8 6.0 786 636 A 34 ILE HD1% A 52 LEU H 1.0 1.8 6.0 787 637 A 52 LEU HA A 34 ILE HD1% 1.0 1.8 6.0 788 638 A 34 ILE HD1% A 52 LEU HBx 1.0 1.8 6.0 789 639 A 34 ILE HD1% A 52 LEU HBy 1.0 1.8 6.0 790 640 A 52 LEU HD1% A 34 ILE HD1% 1.0 1.8 7.0 791 641 A 35 PRO HA A 36 GLU H 1.0 1.8 2.9 792 642 A 35 PRO HA A 36 GLU HBx 1.0 1.8 6.0 793 642 A 35 PRO HA A 36 GLU HBy 1.0 1.8 6.0 794 643 A 35 PRO HA A 37 ASP H 1.0 1.8 5.0 795 644 A 38 THR H A 35 PRO HA 1.0 1.8 5.0 796 645 A 36 GLU H A 35 PRO HBy 1.0 1.8 5.0 797 646 A 36 GLU H A 35 PRO HBx 1.0 1.8 5.0 798 647 A 37 ASP H A 35 PRO HBy 1.0 1.8 5.0 799 648 A 37 ASP H A 35 PRO HBx 1.0 1.8 5.0 800 649 A 38 THR H A 35 PRO HBy 1.0 1.8 5.0 801 650 A 38 THR H A 35 PRO HBx 1.0 1.8 5.0 802 651 A 38 THR H A 35 PRO HGx 1.0 1.8 6.0 803 651 A 38 THR H A 35 PRO HGy 1.0 1.8 6.0 804 652 A 35 PRO HGy A 38 THR HB 1.0 1.8 5.0 805 653 A 38 THR HB A 35 PRO HGx 1.0 1.8 5.0 806 654 A 39 GLY H A 35 PRO HGx 1.0 1.8 6.0 807 654 A 39 GLY H A 35 PRO HGy 1.0 1.8 6.0 808 655 A 40 TRP H A 35 PRO HGx 1.0 1.8 6.0 809 655 A 40 TRP H A 35 PRO HGy 1.0 1.8 6.0 810 656 A 38 THR H A 35 PRO HDx 1.0 1.8 6.0 811 656 A 38 THR H A 35 PRO HDy 1.0 1.8 6.0 812 657 A 38 THR HG2% A 35 PRO HDx 1.0 1.8 7.0 813 657 A 35 PRO HDy A 38 THR HG2% 1.0 1.8 7.0 814 658 A 39 GLY H A 35 PRO HDx 1.0 1.8 6.0 815 658 A 39 GLY H A 35 PRO HDy 1.0 1.8 6.0 816 659 A 40 TRP H A 35 PRO HDy 1.0 1.8 5.0 817 660 A 40 TRP H A 35 PRO HDx 1.0 1.8 5.0 818 661 A 41 VAL HA A 35 PRO HDx 1.0 1.8 6.0 819 661 A 35 PRO HDy A 41 VAL HA 1.0 1.8 6.0 820 662 A 41 VAL HB A 35 PRO HDy 1.0 1.8 5.0 821 663 A 41 VAL HB A 35 PRO HDx 1.0 1.8 5.0 822 664 A 35 PRO HDy A 41 VAL HGx% 1.0 1.8 6.0 823 665 A 41 VAL HGy% A 35 PRO HDy 1.0 1.8 6.0 824 666 A 35 PRO HDx A 41 VAL HGx% 1.0 1.8 6.0 825 667 A 41 VAL HGy% A 35 PRO HDx 1.0 1.8 6.0 826 668 A 36 GLU HA A 36 GLU H 1.0 1.8 5.0 827 669 A 36 GLU H A 36 GLU HBx 1.0 1.8 4.5 828 669 A 36 GLU H A 36 GLU HBy 1.0 1.8 4.5 829 670 A 36 GLU H A 36 GLU HGx 1.0 1.8 5.0 830 671 A 36 GLU H A 36 GLU HGy 1.0 1.8 5.0 831 672 A 36 GLU H A 37 ASP H 1.0 1.8 3.5 832 673 A 38 THR H A 36 GLU H 1.0 1.8 5.0 833 674 A 39 GLY H A 36 GLU H 1.0 1.8 5.0 834 675 A 36 GLU HA A 36 GLU HGx 1.0 1.8 5.0 835 676 A 36 GLU HA A 36 GLU HGy 1.0 1.8 5.0 836 677 A 36 GLU HA A 37 ASP H 1.0 1.8 5.0 837 678 A 36 GLU HA A 38 THR H 1.0 1.8 5.0 838 679 A 36 GLU HA A 39 GLY H 1.0 1.8 5.0 839 680 A 52 LEU HD2% A 36 GLU HA 1.0 1.8 6.0 840 681 A 37 ASP H A 36 GLU HBx 1.0 1.8 4.5 841 681 A 36 GLU HBy A 37 ASP H 1.0 1.8 4.5 842 682 A 37 ASP H A 37 ASP HA 1.0 1.8 5.0 843 683 A 37 ASP H A 37 ASP HBx 1.0 1.8 6.0 844 683 A 37 ASP H A 37 ASP HBy 1.0 1.8 6.0 845 684 A 38 THR H A 37 ASP H 1.0 1.8 3.5 846 685 A 37 ASP H A 38 THR HG2% 1.0 1.8 6.0 847 686 A 39 GLY H A 37 ASP H 1.0 1.8 5.0 848 687 A 38 THR H A 37 ASP HA 1.0 1.8 5.0 849 688 A 38 THR H A 37 ASP HBx 1.0 1.8 6.0 850 688 A 38 THR H A 37 ASP HBy 1.0 1.8 6.0 851 689 A 38 THR HG2% A 37 ASP HBx 1.0 1.8 7.0 852 689 A 38 THR HG2% A 37 ASP HBy 1.0 1.8 7.0 853 690 A 38 THR H A 38 THR HA 1.0 1.8 5.0 854 691 A 38 THR H A 38 THR HB 1.0 1.8 5.0 855 692 A 38 THR H A 38 THR HG2% 1.0 1.8 6.0 856 693 A 38 THR H A 39 GLY H 1.0 1.8 5.0 857 694 A 38 THR H A 39 GLY HAx 1.0 1.8 5.6 858 694 A 38 THR H A 39 GLY HAy 1.0 1.8 5.6 859 695 A 38 THR HG2% A 38 THR HA 1.0 1.8 5.6 860 696 A 39 GLY H A 38 THR HA 1.0 1.8 5.0 861 697 A 38 THR HA A 40 TRP HE1 1.0 1.8 5.0 862 698 A 39 GLY H A 38 THR HB 1.0 1.8 5.0 863 699 A 40 TRP H A 38 THR HB 1.0 1.8 5.0 864 700 A 38 THR HB A 40 TRP HE1 1.0 1.8 5.0 865 701 A 38 THR HB A 40 TRP HD1 1.0 1.8 5.0 866 702 A 39 GLY H A 38 THR HG2% 1.0 1.8 6.0 867 703 A 40 TRP H A 38 THR HG2% 1.0 1.8 6.0 868 704 A 38 THR HG2% A 40 TRP HE1 1.0 1.8 6.0 869 705 A 39 GLY H A 39 GLY HAy 1.0 1.8 5.0 870 706 A 39 GLY H A 39 GLY HAx 1.0 1.8 5.0 871 707 A 39 GLY H A 40 TRP H 1.0 1.8 5.0 872 708 A 39 GLY H A 57 ALA HB% 1.0 1.8 6.0 873 709 A 40 TRP H A 39 GLY HAy 1.0 1.8 5.0 874 710 A 40 TRP H A 39 GLY HAx 1.0 1.8 5.0 875 711 A 40 TRP HA A 39 GLY HAx 1.0 1.8 5.6 876 711 A 40 TRP HA A 39 GLY HAy 1.0 1.8 5.6 877 712 A 52 LEU H A 39 GLY HAx 1.0 1.8 6.0 878 712 A 52 LEU H A 39 GLY HAy 1.0 1.8 6.0 879 713 A 52 LEU HBy A 39 GLY HAy 1.0 1.8 6.0 880 713 A 39 GLY HAy A 52 LEU HBx 1.0 1.8 6.0 881 714 A 52 LEU HBy A 39 GLY HAx 1.0 1.8 6.0 882 714 A 39 GLY HAx A 52 LEU HBx 1.0 1.8 6.0 883 715 A 52 LEU HD2% A 39 GLY HAy 1.0 1.8 6.0 884 716 A 52 LEU HD2% A 39 GLY HAx 1.0 1.8 6.0 885 717 A 56 LYS H A 39 GLY HAx 1.0 1.8 6.0 886 717 A 39 GLY HAy A 56 LYS H 1.0 1.8 6.0 887 718 A 39 GLY HAy A 57 ALA HB% 1.0 1.8 6.0 888 719 A 57 ALA HB% A 39 GLY HAx 1.0 1.8 6.0 889 720 A 40 TRP HA A 40 TRP H 1.0 1.8 5.0 890 721 A 40 TRP H A 40 TRP HBx 1.0 1.8 5.0 891 722 A 40 TRP H A 40 TRP HBy 1.0 1.8 5.0 892 723 A 40 TRP H A 40 TRP HE1 1.0 1.8 5.0 893 724 A 40 TRP H A 40 TRP HD1 1.0 1.8 5.0 894 725 A 41 VAL H A 40 TRP H 1.0 1.8 5.0 895 726 A 40 TRP H A 41 VAL HA 1.0 1.8 5.0 896 727 A 51 VAL HA A 40 TRP H 1.0 1.8 5.0 897 728 A 40 TRP H A 57 ALA HB% 1.0 1.8 6.0 898 729 A 40 TRP HA A 40 TRP HD1 1.0 1.8 5.0 899 730 A 40 TRP HA A 40 TRP HE3 1.0 1.8 5.0 900 731 A 40 TRP HA A 41 VAL H 1.0 1.8 3.5 901 732 A 40 TRP HA A 41 VAL HA 1.0 1.8 5.0 902 733 A 41 VAL HB A 40 TRP HA 1.0 1.8 5.0 903 734 A 40 TRP HA A 41 VAL HGx% 1.0 1.8 7.4 904 734 A 41 VAL HGy% A 40 TRP HA 1.0 1.8 7.4 905 735 A 51 VAL HA A 40 TRP HA 1.0 1.8 5.0 906 736 A 51 VAL HG2% A 40 TRP HA 1.0 1.8 6.0 907 737 A 40 TRP HA A 52 LEU H 1.0 1.8 5.0 908 738 A 40 TRP HD1 A 40 TRP HBx 1.0 1.8 5.0 909 739 A 40 TRP HD1 A 40 TRP HBy 1.0 1.8 5.0 910 740 A 40 TRP HE3 A 40 TRP HBx 1.0 1.8 5.0 911 741 A 40 TRP HE3 A 40 TRP HBy 1.0 1.8 5.0 912 742 A 41 VAL H A 40 TRP HBx 1.0 1.8 5.0 913 743 A 41 VAL H A 40 TRP HBy 1.0 1.8 5.0 914 744 A 49 LYS HDy A 40 TRP HBx 1.0 1.8 6.0 915 744 A 40 TRP HBx A 49 LYS HDx 1.0 1.8 6.0 916 745 A 49 LYS HDy A 40 TRP HBy 1.0 1.8 6.0 917 745 A 40 TRP HBy A 49 LYS HDx 1.0 1.8 6.0 918 746 A 49 LYS HGx A 40 TRP HBx 1.0 1.8 6.0 919 746 A 40 TRP HBx A 49 LYS HGy 1.0 1.8 6.0 920 747 A 49 LYS HGx A 40 TRP HBy 1.0 1.8 6.0 921 747 A 40 TRP HBy A 49 LYS HGy 1.0 1.8 6.0 922 748 A 51 VAL HA A 40 TRP HBx 1.0 1.8 5.0 923 749 A 51 VAL HA A 40 TRP HBy 1.0 1.8 5.0 924 750 A 51 VAL HG1% A 40 TRP HBx 1.0 1.8 6.0 925 751 A 51 VAL HG2% A 40 TRP HBx 1.0 1.8 6.0 926 752 A 51 VAL HG2% A 40 TRP HBy 1.0 1.8 6.0 927 753 A 52 LEU H A 40 TRP HBx 1.0 1.8 6.0 928 753 A 52 LEU H A 40 TRP HBy 1.0 1.8 6.0 929 754 A 57 ALA HB% A 40 TRP HBx 1.0 1.8 6.0 930 755 A 57 ALA HB% A 40 TRP HBy 1.0 1.8 6.0 931 756 A 40 TRP HE1 A 57 ALA HB% 1.0 1.8 6.0 932 757 A 40 TRP HD1 A 57 ALA HB% 1.0 1.8 6.0 933 758 A 41 VAL HA A 40 TRP HZ3 1.0 1.8 5.0 934 759 A 40 TRP HZ3 A 42 GLU H 1.0 1.8 5.0 935 760 A 40 TRP HZ3 A 42 GLU HBy 1.0 1.8 5.0 936 761 A 40 TRP HZ3 A 42 GLU HBx 1.0 1.8 5.0 937 762 A 40 TRP HZ3 A 42 GLU HGy 1.0 1.8 6.0 938 762 A 40 TRP HZ3 A 42 GLU HGx 1.0 1.8 6.0 939 763 A 40 TRP HZ3 A 49 LYS HGy 1.0 1.8 6.0 940 763 A 49 LYS HGx A 40 TRP HZ3 1.0 1.8 6.0 941 764 A 41 VAL H A 40 TRP HE3 1.0 1.8 5.0 942 765 A 41 VAL HA A 40 TRP HE3 1.0 1.8 5.0 943 766 A 40 TRP HE3 A 42 GLU HBy 1.0 1.8 6.0 944 766 A 40 TRP HE3 A 42 GLU HBx 1.0 1.8 6.0 945 767 A 40 TRP HE3 A 49 LYS HDx 1.0 1.8 6.0 946 767 A 49 LYS HDy A 40 TRP HE3 1.0 1.8 6.0 947 768 A 49 LYS HGx A 40 TRP HE3 1.0 1.8 5.0 948 769 A 40 TRP HE3 A 49 LYS HGy 1.0 1.8 5.0 949 770 A 40 TRP HE3 A 49 LYS HEx 1.0 1.8 6.0 950 770 A 40 TRP HE3 A 49 LYS HEy 1.0 1.8 6.0 951 771 A 51 VAL HG2% A 40 TRP HE3 1.0 1.8 6.0 952 772 A 41 VAL H A 41 VAL HA 1.0 1.8 5.0 953 773 A 41 VAL HB A 41 VAL H 1.0 1.8 5.0 954 774 A 41 VAL H A 41 VAL HGx% 1.0 1.8 6.0 955 775 A 41 VAL HGy% A 41 VAL H 1.0 1.8 6.0 956 776 A 41 VAL H A 42 GLU H 1.0 1.8 5.0 957 777 A 49 LYS HGx A 41 VAL H 1.0 1.8 5.0 958 778 A 41 VAL H A 49 LYS HGy 1.0 1.8 5.0 959 779 A 41 VAL H A 50 TYR H 1.0 1.8 2.9 960 780 A 50 TYR HBx A 41 VAL H 1.0 1.8 5.0 961 781 A 41 VAL H A 50 TYR HBy 1.0 1.8 5.0 962 782 A 51 VAL HA A 41 VAL H 1.0 1.8 5.0 963 783 A 41 VAL HA A 41 VAL HGx% 1.0 1.8 6.0 964 784 A 41 VAL HGy% A 41 VAL HA 1.0 1.8 6.0 965 785 A 41 VAL HA A 42 GLU H 1.0 1.8 3.5 966 786 A 41 VAL HA A 42 GLU HA 1.0 1.8 5.0 967 787 A 41 VAL HA A 42 GLU HGy 1.0 1.8 6.0 968 787 A 41 VAL HA A 42 GLU HGx 1.0 1.8 6.0 969 788 A 41 VAL HB A 42 GLU H 1.0 1.8 5.0 970 789 A 42 GLU H A 41 VAL HGx% 1.0 1.8 7.4 971 789 A 41 VAL HGy% A 42 GLU H 1.0 1.8 7.4 972 790 A 41 VAL HGy% A 42 GLU H 1.0 1.8 6.0 973 791 A 43 CYS HA A 41 VAL HGx% 1.0 1.8 7.4 974 791 A 41 VAL HGy% A 43 CYS HA 1.0 1.8 7.4 975 792 A 41 VAL HGy% A 44 PRO HDx 1.0 1.8 8.4 976 792 A 41 VAL HGx% A 44 PRO HDx 1.0 1.8 8.4 977 792 A 44 PRO HDy A 41 VAL HGx% 1.0 1.8 8.4 978 792 A 44 PRO HDy A 41 VAL HGy% 1.0 1.8 8.4 979 793 A 50 TYR H A 41 VAL HGx% 1.0 1.8 6.0 980 794 A 50 TYR H A 41 VAL HGx% 1.0 1.8 7.4 981 794 A 41 VAL HGy% A 50 TYR H 1.0 1.8 7.4 982 795 A 50 TYR HBx A 41 VAL HGy% 1.0 1.8 7.4 983 795 A 50 TYR HBx A 41 VAL HGx% 1.0 1.8 7.4 984 796 A 41 VAL HGy% A 50 TYR HBy 1.0 1.8 7.4 985 796 A 41 VAL HGx% A 50 TYR HBy 1.0 1.8 7.4 986 797 A 50 TYR HD% A 41 VAL HGx% 1.0 1.8 9.4 987 797 A 50 TYR HD% A 41 VAL HGy% 1.0 1.8 9.4 988 798 A 42 GLU H A 42 GLU HA 1.0 1.8 5.0 989 799 A 42 GLU H A 42 GLU HBy 1.0 1.8 5.0 990 800 A 42 GLU H A 42 GLU HBx 1.0 1.8 5.0 991 801 A 42 GLU H A 42 GLU HGx 1.0 1.8 5.0 992 802 A 42 GLU H A 42 GLU HGy 1.0 1.8 5.0 993 803 A 43 CYS H A 42 GLU H 1.0 1.8 5.0 994 804 A 42 GLU HA A 42 GLU HGy 1.0 1.8 6.0 995 804 A 42 GLU HGx A 42 GLU HA 1.0 1.8 6.0 996 805 A 43 CYS H A 42 GLU HA 1.0 1.8 3.5 997 806 A 43 CYS HA A 42 GLU HA 1.0 1.8 5.0 998 807 A 42 GLU HA A 49 LYS HA 1.0 1.8 3.5 999 808 A 42 GLU HA A 49 LYS HBx 1.0 1.8 6.0 1000 808 A 42 GLU HA A 49 LYS HBy 1.0 1.8 6.0 1001 809 A 42 GLU HA A 49 LYS HGy 1.0 1.8 6.0 1002 809 A 49 LYS HGx A 42 GLU HA 1.0 1.8 6.0 1003 810 A 50 TYR H A 42 GLU HA 1.0 1.8 5.0 1004 811 A 43 CYS H A 42 GLU HBy 1.0 1.8 5.0 1005 812 A 43 CYS H A 42 GLU HBx 1.0 1.8 5.0 1006 813 A 42 GLU HBx A 49 LYS HBy 1.0 1.8 6.0 1007 813 A 49 LYS HBy A 42 GLU HBy 1.0 1.8 6.0 1008 814 A 42 GLU HBx A 49 LYS HBx 1.0 1.8 6.0 1009 814 A 42 GLU HBy A 49 LYS HBx 1.0 1.8 6.0 1010 815 A 43 CYS H A 42 GLU HGy 1.0 1.8 6.0 1011 815 A 43 CYS H A 42 GLU HGx 1.0 1.8 6.0 1012 816 A 43 CYS H A 43 CYS HA 1.0 1.8 5.0 1013 817 A 43 CYS H A 43 CYS HBx 1.0 1.8 5.0 1014 818 A 43 CYS H A 43 CYS HBy 1.0 1.8 5.0 1015 819 A 43 CYS H A 44 PRO HDx 1.0 1.8 6.0 1016 819 A 44 PRO HDy A 43 CYS H 1.0 1.8 6.0 1017 820 A 43 CYS H A 47 ASP H 1.0 1.8 5.0 1018 821 A 43 CYS H A 48 CYS H 1.0 1.8 5.0 1019 822 A 43 CYS H A 48 CYS HA 1.0 1.8 5.0 1020 823 A 43 CYS H A 48 CYS HBx 1.0 1.8 6.0 1021 823 A 48 CYS HBy A 43 CYS H 1.0 1.8 6.0 1022 824 A 43 CYS H A 49 LYS HA 1.0 1.8 5.0 1023 825 A 50 TYR HD% A 43 CYS H 1.0 1.8 7.0 1024 826 A 50 TYR HE% A 43 CYS H 1.0 1.8 7.0 1025 827 A 44 PRO HGx A 43 CYS HA 1.0 1.8 5.0 1026 828 A 43 CYS HA A 44 PRO HGy 1.0 1.8 5.0 1027 829 A 44 PRO HDy A 43 CYS HA 1.0 1.8 5.0 1028 830 A 43 CYS HA A 44 PRO HDx 1.0 1.8 5.0 1029 831 A 43 CYS HA A 45 TYR H 1.0 1.8 5.0 1030 832 A 44 PRO HDy A 43 CYS HBx 1.0 1.8 6.0 1031 832 A 44 PRO HDy A 43 CYS HBy 1.0 1.8 6.0 1032 833 A 43 CYS HBx A 44 PRO HDx 1.0 1.8 6.0 1033 833 A 43 CYS HBy A 44 PRO HDx 1.0 1.8 6.0 1034 834 A 45 TYR H A 43 CYS HBx 1.0 1.8 5.0 1035 835 A 45 TYR H A 43 CYS HBy 1.0 1.8 5.0 1036 836 A 46 CYS H A 43 CYS HBy 1.0 1.8 6.0 1037 836 A 46 CYS H A 43 CYS HBx 1.0 1.8 6.0 1038 837 A 47 ASP H A 43 CYS HBx 1.0 1.8 5.0 1039 838 A 47 ASP H A 43 CYS HBy 1.0 1.8 5.0 1040 839 A 48 CYS H A 43 CYS HBx 1.0 1.8 5.0 1041 840 A 48 CYS H A 43 CYS HBy 1.0 1.8 5.0 1042 841 A 43 CYS HBy A 48 CYS HBx 1.0 1.8 7.0 1043 841 A 43 CYS HBx A 48 CYS HBx 1.0 1.8 7.0 1044 841 A 48 CYS HBy A 43 CYS HBy 1.0 1.8 7.0 1045 841 A 48 CYS HBy A 43 CYS HBx 1.0 1.8 7.0 1046 842 A 50 TYR HE% A 43 CYS HBx 1.0 1.8 7.0 1047 843 A 50 TYR HE% A 43 CYS HBy 1.0 1.8 7.0 1048 844 A 45 TYR H A 44 PRO HA 1.0 1.8 5.0 1049 845 A 45 TYR H A 44 PRO HBx 1.0 1.8 6.0 1050 845 A 45 TYR H A 44 PRO HBy 1.0 1.8 6.0 1051 846 A 45 TYR HE% A 44 PRO HBx 1.0 1.8 8.0 1052 846 A 45 TYR HE% A 44 PRO HBy 1.0 1.8 8.0 1053 847 A 45 TYR H A 44 PRO HGy 1.0 1.8 6.0 1054 847 A 44 PRO HGx A 45 TYR H 1.0 1.8 6.0 1055 848 A 44 PRO HGx A 45 TYR HD% 1.0 1.8 7.0 1056 849 A 45 TYR HD% A 44 PRO HGy 1.0 1.8 7.0 1057 850 A 45 TYR HE% A 44 PRO HGx 1.0 1.8 7.0 1058 851 A 45 TYR HE% A 44 PRO HGy 1.0 1.8 7.0 1059 852 A 44 PRO HDy A 45 TYR H 1.0 1.8 5.0 1060 853 A 45 TYR H A 44 PRO HDx 1.0 1.8 5.0 1061 854 A 45 TYR HD% A 44 PRO HDx 1.0 1.8 8.0 1062 854 A 44 PRO HDy A 45 TYR HD% 1.0 1.8 8.0 1063 855 A 45 TYR H A 45 TYR HA 1.0 1.8 5.0 1064 856 A 45 TYR HBy A 45 TYR H 1.0 1.8 5.0 1065 857 A 45 TYR HBx A 45 TYR H 1.0 1.8 5.0 1066 858 A 45 TYR HD% A 45 TYR H 1.0 1.8 7.0 1067 859 A 45 TYR HE% A 45 TYR H 1.0 1.8 7.0 1068 860 A 46 CYS H A 45 TYR H 1.0 1.8 3.5 1069 861 A 47 ASP H A 45 TYR H 1.0 1.8 5.0 1070 862 A 45 TYR HD% A 45 TYR HA 1.0 1.8 6.0 1071 863 A 45 TYR HE% A 45 TYR HA 1.0 1.8 6.0 1072 864 A 46 CYS H A 45 TYR HA 1.0 1.8 5.0 1073 865 A 45 TYR HBy A 45 TYR HD% 1.0 1.8 7.0 1074 866 A 45 TYR HBx A 45 TYR HD% 1.0 1.8 7.0 1075 867 A 45 TYR HBy A 45 TYR HE% 1.0 1.8 7.0 1076 868 A 45 TYR HBx A 45 TYR HE% 1.0 1.8 7.0 1077 869 A 45 TYR HBy A 46 CYS H 1.0 1.8 5.0 1078 870 A 45 TYR HBx A 46 CYS H 1.0 1.8 5.0 1079 871 A 46 CYS H A 46 CYS HA 1.0 1.8 5.0 1080 872 A 46 CYS H A 46 CYS HBy 1.0 1.8 5.0 1081 873 A 46 CYS H A 46 CYS HBx 1.0 1.8 5.0 1082 874 A 46 CYS H A 47 ASP H 1.0 1.8 3.5 1083 875 A 46 CYS H A 47 ASP HA 1.0 1.8 5.0 1084 876 A 47 ASP H A 46 CYS HA 1.0 1.8 5.0 1085 877 A 46 CYS HA A 47 ASP HBx 1.0 1.8 6.0 1086 877 A 46 CYS HA A 47 ASP HBy 1.0 1.8 6.0 1087 878 A 46 CYS HBy A 47 ASP H 1.0 1.8 5.0 1088 879 A 46 CYS HBx A 47 ASP H 1.0 1.8 5.0 1089 880 A 47 ASP H A 47 ASP HA 1.0 1.8 3.5 1090 881 A 47 ASP H A 47 ASP HBx 1.0 1.8 5.0 1091 882 A 47 ASP H A 47 ASP HBy 1.0 1.8 5.0 1092 883 A 47 ASP H A 48 CYS H 1.0 1.8 3.5 1093 884 A 48 CYS H A 47 ASP HA 1.0 1.8 5.0 1094 885 A 48 CYS HA A 47 ASP HA 1.0 1.8 5.0 1095 886 A 48 CYS H A 47 ASP HBx 1.0 1.8 6.0 1096 886 A 48 CYS H A 47 ASP HBy 1.0 1.8 6.0 1097 887 A 48 CYS H A 48 CYS HA 1.0 1.8 5.0 1098 888 A 48 CYS HBy A 48 CYS H 1.0 1.8 5.0 1099 889 A 48 CYS H A 48 CYS HBx 1.0 1.8 5.0 1100 890 A 49 LYS H A 48 CYS HA 1.0 1.8 2.9 1101 891 A 49 LYS H A 48 CYS HBy 1.0 1.8 5.0 1102 892 A 49 LYS H A 48 CYS HBx 1.0 1.8 5.0 1103 893 A 50 TYR HD% A 48 CYS HBy 1.0 1.8 7.0 1104 894 A 50 TYR HD% A 48 CYS HBx 1.0 1.8 7.0 1105 895 A 50 TYR HE% A 48 CYS HBy 1.0 1.8 7.0 1106 896 A 50 TYR HE% A 48 CYS HBx 1.0 1.8 7.0 1107 897 A 49 LYS H A 49 LYS HA 1.0 1.8 5.0 1108 898 A 49 LYS H A 49 LYS HBy 1.0 1.8 5.0 1109 899 A 49 LYS H A 49 LYS HBx 1.0 1.8 5.0 1110 900 A 49 LYS H A 49 LYS HGx 1.0 1.8 5.0 1111 901 A 49 LYS H A 49 LYS HGy 1.0 1.8 5.0 1112 902 A 49 LYS H A 50 TYR H 1.0 1.8 5.0 1113 903 A 49 LYS HA A 49 LYS HDx 1.0 1.8 6.0 1114 903 A 49 LYS HDy A 49 LYS HA 1.0 1.8 6.0 1115 904 A 49 LYS HGx A 49 LYS HA 1.0 1.8 5.0 1116 905 A 49 LYS HA A 49 LYS HGy 1.0 1.8 5.0 1117 906 A 50 TYR H A 49 LYS HA 1.0 1.8 3.5 1118 907 A 50 TYR HD% A 49 LYS HA 1.0 1.8 7.0 1119 908 A 49 LYS HDy A 49 LYS HBy 1.0 1.8 6.0 1120 908 A 49 LYS HBy A 49 LYS HDx 1.0 1.8 6.0 1121 909 A 49 LYS HDy A 49 LYS HBx 1.0 1.8 6.0 1122 909 A 49 LYS HBx A 49 LYS HDx 1.0 1.8 6.0 1123 910 A 50 TYR H A 49 LYS HBy 1.0 1.8 5.0 1124 911 A 50 TYR H A 49 LYS HBx 1.0 1.8 5.0 1125 912 A 50 TYR H A 49 LYS HDx 1.0 1.8 6.0 1126 912 A 49 LYS HDy A 50 TYR H 1.0 1.8 6.0 1127 913 A 51 VAL HG2% A 49 LYS HDx 1.0 1.8 7.0 1128 913 A 49 LYS HDy A 51 VAL HG2% 1.0 1.8 7.0 1129 914 A 49 LYS HGx A 49 LYS HEx 1.0 1.8 6.0 1130 914 A 49 LYS HGx A 49 LYS HEy 1.0 1.8 6.0 1131 915 A 49 LYS HEx A 49 LYS HGy 1.0 1.8 6.0 1132 915 A 49 LYS HEy A 49 LYS HGy 1.0 1.8 6.0 1133 916 A 49 LYS HGx A 50 TYR H 1.0 1.8 5.0 1134 917 A 50 TYR H A 49 LYS HGy 1.0 1.8 5.0 1135 918 A 51 VAL HG2% A 49 LYS HGy 1.0 1.8 7.0 1136 918 A 49 LYS HGx A 51 VAL HG2% 1.0 1.8 7.0 1137 919 A 51 VAL HG2% A 49 LYS HEx 1.0 1.8 7.0 1138 919 A 51 VAL HG2% A 49 LYS HEy 1.0 1.8 7.0 1139 920 A 50 TYR HA A 50 TYR H 1.0 1.8 5.0 1140 921 A 50 TYR HBx A 50 TYR H 1.0 1.8 5.0 1141 922 A 50 TYR H A 50 TYR HBy 1.0 1.8 5.0 1142 923 A 50 TYR HD% A 50 TYR H 1.0 1.8 7.0 1143 924 A 50 TYR HE% A 50 TYR H 1.0 1.8 7.0 1144 925 A 51 VAL H A 50 TYR H 1.0 1.8 5.0 1145 926 A 50 TYR HA A 50 TYR HD% 1.0 1.8 6.0 1146 927 A 50 TYR HA A 51 VAL H 1.0 1.8 2.9 1147 928 A 50 TYR HA A 51 VAL HB 1.0 1.8 5.0 1148 929 A 50 TYR HD% A 50 TYR HBx 1.0 1.8 7.0 1149 930 A 50 TYR HD% A 50 TYR HBy 1.0 1.8 7.0 1150 931 A 50 TYR HE% A 50 TYR HBy 1.0 1.8 8.0 1151 931 A 50 TYR HE% A 50 TYR HBx 1.0 1.8 8.0 1152 932 A 51 VAL H A 50 TYR HBx 1.0 1.8 5.0 1153 933 A 51 VAL H A 50 TYR HBy 1.0 1.8 5.0 1154 934 A 51 VAL H A 51 VAL HA 1.0 1.8 5.0 1155 935 A 51 VAL H A 51 VAL HB 1.0 1.8 5.0 1156 936 A 51 VAL H A 51 VAL HG1% 1.0 1.8 6.0 1157 937 A 51 VAL H A 51 VAL HG2% 1.0 1.8 6.0 1158 938 A 51 VAL HA A 51 VAL HG1% 1.0 1.8 6.0 1159 939 A 51 VAL HA A 51 VAL HG2% 1.0 1.8 6.0 1160 940 A 51 VAL HA A 52 LEU H 1.0 1.8 2.9 1161 941 A 51 VAL HA A 52 LEU HBx 1.0 1.8 5.0 1162 942 A 51 VAL HA A 52 LEU HBy 1.0 1.8 5.0 1163 943 A 51 VAL HA A 57 ALA HB% 1.0 1.8 6.0 1164 944 A 51 VAL HB A 52 LEU H 1.0 1.8 5.0 1165 945 A 52 LEU H A 51 VAL HG1% 1.0 1.8 6.0 1166 946 A 51 VAL HG1% A 57 ALA H 1.0 1.8 6.0 1167 947 A 51 VAL HG1% A 57 ALA HA 1.0 1.8 6.0 1168 948 A 57 ALA HB% A 51 VAL HG1% 1.0 1.8 7.0 1169 949 A 51 VAL HG2% A 57 ALA HB% 1.0 1.8 7.0 1170 950 A 51 VAL HG1% A 58 ASP H 1.0 1.8 6.0 1171 951 A 51 VAL HG1% A 58 ASP HA 1.0 1.8 6.0 1172 952 A 51 VAL HG1% A 58 ASP HBy 1.0 1.8 6.0 1173 953 A 51 VAL HG1% A 58 ASP HBx 1.0 1.8 6.0 1174 954 A 52 LEU HA A 52 LEU H 1.0 1.8 5.0 1175 955 A 52 LEU H A 52 LEU HBx 1.0 1.8 5.0 1176 956 A 52 LEU H A 52 LEU HBy 1.0 1.8 5.0 1177 957 A 52 LEU H A 52 LEU HG 1.0 1.8 5.0 1178 958 A 53 LYS H A 52 LEU H 1.0 1.8 5.0 1179 959 A 52 LEU H A 57 ALA HB% 1.0 1.8 6.0 1180 960 A 52 LEU HA A 52 LEU HG 1.0 1.8 5.0 1181 961 A 52 LEU HA A 52 LEU HD1% 1.0 1.8 6.0 1182 962 A 53 LYS H A 52 LEU HA 1.0 1.8 3.5 1183 963 A 53 LYS HA A 52 LEU HA 1.0 1.8 5.0 1184 964 A 52 LEU HA A 53 LYS HBy 1.0 1.8 6.0 1185 964 A 52 LEU HA A 53 LYS HBx 1.0 1.8 6.0 1186 965 A 52 LEU HD1% A 52 LEU HBx 1.0 1.8 6.0 1187 966 A 52 LEU HD2% A 52 LEU HBx 1.0 1.8 6.0 1188 967 A 52 LEU HD1% A 52 LEU HBy 1.0 1.8 6.0 1189 968 A 52 LEU HD2% A 52 LEU HBy 1.0 1.8 6.0 1190 969 A 53 LYS H A 52 LEU HBx 1.0 1.8 5.0 1191 970 A 53 LYS H A 52 LEU HBy 1.0 1.8 5.0 1192 971 A 55 SER H A 52 LEU HBx 1.0 1.8 6.0 1193 971 A 52 LEU HBy A 55 SER H 1.0 1.8 6.0 1194 972 A 55 SER HBx A 52 LEU HBx 1.0 1.8 6.0 1195 972 A 52 LEU HBx A 55 SER HBy 1.0 1.8 6.0 1196 973 A 52 LEU HBy A 55 SER HBx 1.0 1.8 6.0 1197 973 A 52 LEU HBy A 55 SER HBy 1.0 1.8 6.0 1198 974 A 53 LYS H A 52 LEU HG 1.0 1.8 5.0 1199 975 A 52 LEU HG A 55 SER H 1.0 1.8 5.0 1200 976 A 52 LEU HG A 55 SER HBy 1.0 1.8 5.0 1201 977 A 52 LEU HG A 55 SER HBx 1.0 1.8 5.0 1202 978 A 53 LYS H A 52 LEU HD1% 1.0 1.8 6.0 1203 979 A 52 LEU HD2% A 55 SER H 1.0 1.8 6.0 1204 980 A 52 LEU HD2% A 55 SER HA 1.0 1.8 6.0 1205 981 A 52 LEU HD2% A 55 SER HBy 1.0 1.8 6.0 1206 982 A 52 LEU HD2% A 55 SER HBx 1.0 1.8 6.0 1207 983 A 53 LYS H A 53 LYS HA 1.0 1.8 5.0 1208 984 A 53 LYS H A 53 LYS HBx 1.0 1.8 5.0 1209 985 A 53 LYS H A 53 LYS HBy 1.0 1.8 5.0 1210 986 A 53 LYS H A 53 LYS HDx 1.0 1.8 6.0 1211 986 A 53 LYS H A 53 LYS HDy 1.0 1.8 6.0 1212 987 A 53 LYS H A 53 LYS HGx 1.0 1.8 5.0 1213 988 A 53 LYS H A 53 LYS HGy 1.0 1.8 5.0 1214 989 A 53 LYS H A 54 GLY H 1.0 1.8 5.0 1215 990 A 53 LYS HA A 53 LYS HGx 1.0 1.8 5.0 1216 991 A 53 LYS HA A 53 LYS HGy 1.0 1.8 5.0 1217 992 A 53 LYS HA A 54 GLY H 1.0 1.8 3.5 1218 993 A 53 LYS HA A 54 GLY HAy 1.0 1.8 5.0 1219 994 A 53 LYS HA A 54 GLY HAx 1.0 1.8 5.0 1220 995 A 53 LYS HA A 55 SER H 1.0 1.8 5.0 1221 996 A 53 LYS HA A 58 ASP HBy 1.0 1.8 5.0 1222 997 A 53 LYS HA A 58 ASP HBx 1.0 1.8 5.0 1223 998 A 53 LYS HDy A 53 LYS HBx 1.0 1.8 6.0 1224 998 A 53 LYS HBx A 53 LYS HDx 1.0 1.8 6.0 1225 999 A 53 LYS HDy A 53 LYS HBy 1.0 1.8 6.0 1226 999 A 53 LYS HBy A 53 LYS HDx 1.0 1.8 6.0 1227 1000 A 53 LYS HBx A 53 LYS HEx 1.0 1.8 7.0 1228 1000 A 53 LYS HEy A 53 LYS HBy 1.0 1.8 7.0 1229 1000 A 53 LYS HBx A 53 LYS HEy 1.0 1.8 7.0 1230 1000 A 53 LYS HBy A 53 LYS HEx 1.0 1.8 7.0 1231 1001 A 54 GLY H A 53 LYS HBx 1.0 1.8 5.0 1232 1002 A 54 GLY H A 53 LYS HBy 1.0 1.8 5.0 1233 1003 A 53 LYS HGx A 53 LYS HEy 1.0 1.8 6.0 1234 1003 A 53 LYS HGx A 53 LYS HEx 1.0 1.8 6.0 1235 1004 A 53 LYS HEx A 53 LYS HGy 1.0 1.8 6.0 1236 1004 A 53 LYS HEy A 53 LYS HGy 1.0 1.8 6.0 1237 1005 A 53 LYS HGx A 54 GLY H 1.0 1.8 5.0 1238 1006 A 54 GLY H A 53 LYS HGy 1.0 1.8 5.0 1239 1007 A 53 LYS HGy A 54 GLY HAx 1.0 1.8 6.6 1240 1007 A 53 LYS HGx A 54 GLY HAx 1.0 1.8 6.6 1241 1007 A 54 GLY HAy A 53 LYS HGy 1.0 1.8 6.6 1242 1007 A 53 LYS HGx A 54 GLY HAy 1.0 1.8 6.6 1243 1008 A 54 GLY H A 54 GLY HAy 1.0 1.8 5.0 1244 1009 A 54 GLY H A 54 GLY HAx 1.0 1.8 5.0 1245 1010 A 54 GLY H A 55 SER H 1.0 1.8 5.0 1246 1011 A 54 GLY H A 58 ASP H 1.0 1.8 5.0 1247 1012 A 54 GLY H A 58 ASP HBy 1.0 1.8 5.0 1248 1013 A 54 GLY H A 58 ASP HBx 1.0 1.8 5.0 1249 1014 A 55 SER H A 54 GLY HAy 1.0 1.8 5.0 1250 1015 A 55 SER H A 54 GLY HAx 1.0 1.8 5.0 1251 1016 A 55 SER HA A 54 GLY HAx 1.0 1.8 5.6 1252 1016 A 55 SER HA A 54 GLY HAy 1.0 1.8 5.6 1253 1017 A 54 GLY HAy A 58 ASP HBx 1.0 1.8 6.0 1254 1017 A 54 GLY HAy A 58 ASP HBy 1.0 1.8 6.0 1255 1018 A 58 ASP HBx A 54 GLY HAx 1.0 1.8 6.0 1256 1018 A 54 GLY HAx A 58 ASP HBy 1.0 1.8 6.0 1257 1019 A 55 SER H A 55 SER HA 1.0 1.8 5.0 1258 1020 A 55 SER H A 55 SER HBy 1.0 1.8 5.0 1259 1021 A 55 SER H A 55 SER HBx 1.0 1.8 5.0 1260 1022 A 56 LYS H A 55 SER H 1.0 1.8 5.0 1261 1023 A 58 ASP H A 55 SER H 1.0 1.8 5.0 1262 1024 A 55 SER H A 58 ASP HBy 1.0 1.8 5.0 1263 1025 A 55 SER H A 58 ASP HBx 1.0 1.8 5.0 1264 1026 A 56 LYS H A 55 SER HA 1.0 1.8 3.5 1265 1027 A 57 ALA H A 55 SER HA 1.0 1.8 5.0 1266 1028 A 56 LYS H A 55 SER HBy 1.0 1.8 5.0 1267 1029 A 56 LYS H A 55 SER HBx 1.0 1.8 5.0 1268 1030 A 57 ALA H A 55 SER HBy 1.0 1.8 5.0 1269 1031 A 57 ALA H A 55 SER HBx 1.0 1.8 5.0 1270 1032 A 56 LYS H A 56 LYS HA 1.0 1.8 5.0 1271 1033 A 56 LYS H A 56 LYS HBx 1.0 1.8 6.0 1272 1033 A 56 LYS H A 56 LYS HBy 1.0 1.8 6.0 1273 1034 A 56 LYS H A 56 LYS HGx 1.0 1.8 5.0 1274 1035 A 56 LYS H A 56 LYS HGy 1.0 1.8 5.0 1275 1036 A 56 LYS H A 57 ALA H 1.0 1.8 3.5 1276 1037 A 56 LYS HA A 56 LYS HGy 1.0 1.8 6.0 1277 1037 A 56 LYS HA A 56 LYS HGx 1.0 1.8 6.0 1278 1038 A 57 ALA H A 56 LYS HA 1.0 1.8 5.0 1279 1039 A 57 ALA HA A 56 LYS HA 1.0 1.8 5.0 1280 1040 A 58 ASP H A 56 LYS HA 1.0 1.8 5.0 1281 1041 A 56 LYS HA A 59 ALA HB% 1.0 1.8 6.0 1282 1042 A 56 LYS HBx A 56 LYS HDx 1.0 1.8 7.0 1283 1042 A 56 LYS HBy A 56 LYS HDx 1.0 1.8 7.0 1284 1042 A 56 LYS HDy A 56 LYS HBx 1.0 1.8 7.0 1285 1042 A 56 LYS HBy A 56 LYS HDy 1.0 1.8 7.0 1286 1043 A 57 ALA H A 56 LYS HBx 1.0 1.8 6.0 1287 1043 A 57 ALA H A 56 LYS HBy 1.0 1.8 6.0 1288 1044 A 58 ASP H A 56 LYS HBx 1.0 1.8 6.0 1289 1044 A 58 ASP H A 56 LYS HBy 1.0 1.8 6.0 1290 1045 A 56 LYS HGx A 56 LYS HEy 1.0 1.8 6.0 1291 1045 A 56 LYS HGx A 56 LYS HEx 1.0 1.8 6.0 1292 1046 A 56 LYS HEx A 56 LYS HGy 1.0 1.8 6.0 1293 1046 A 56 LYS HEy A 56 LYS HGy 1.0 1.8 6.0 1294 1047 A 57 ALA H A 56 LYS HGx 1.0 1.8 5.0 1295 1048 A 57 ALA H A 56 LYS HGy 1.0 1.8 5.0 1296 1049 A 57 ALA H A 57 ALA HA 1.0 1.8 5.0 1297 1050 A 57 ALA HB% A 57 ALA H 1.0 1.8 5.6 1298 1051 A 57 ALA H A 58 ASP H 1.0 1.8 2.9 1299 1052 A 57 ALA H A 58 ASP HBy 1.0 1.8 5.0 1300 1053 A 57 ALA H A 58 ASP HBx 1.0 1.8 5.0 1301 1054 A 57 ALA HA A 58 ASP H 1.0 1.8 5.0 1302 1055 A 57 ALA HB% A 58 ASP H 1.0 1.8 6.0 1303 1056 A 57 ALA HB% A 58 ASP HA 1.0 1.8 6.0 1304 1057 A 58 ASP H A 58 ASP HA 1.0 1.8 5.0 1305 1058 A 58 ASP H A 58 ASP HBy 1.0 1.8 5.0 1306 1059 A 58 ASP H A 58 ASP HBx 1.0 1.8 5.0 1307 1060 A 58 ASP H A 59 ALA H 1.0 1.8 5.0 1308 1061 A 58 ASP HA A 59 ALA H 1.0 1.8 3.5 1309 1062 A 59 ALA H A 58 ASP HBy 1.0 1.8 5.0 1310 1063 A 58 ASP HBx A 59 ALA H 1.0 1.8 5.0 1311 1064 A 60 LEU H A 58 ASP HBy 1.0 1.8 6.0 1312 1064 A 58 ASP HBx A 60 LEU H 1.0 1.8 6.0 1313 1065 A 59 ALA H A 59 ALA HA 1.0 1.8 5.0 1314 1066 A 59 ALA HB% A 59 ALA H 1.0 1.8 5.6 1315 1067 A 59 ALA H A 60 LEU H 1.0 1.8 3.5 1316 1068 A 59 ALA H A 60 LEU HG 1.0 1.8 5.0 1317 1069 A 59 ALA H A 60 LEU HD1% 1.0 1.8 6.0 1318 1070 A 60 LEU H A 59 ALA HA 1.0 1.8 5.0 1319 1071 A 59 ALA HA A 60 LEU HD1% 1.0 1.8 6.0 1320 1072 A 59 ALA HB% A 60 LEU H 1.0 1.8 6.0 1321 1073 A 60 LEU H A 60 LEU HA 1.0 1.8 3.5 1322 1074 A 60 LEU H A 60 LEU HBy 1.0 1.8 5.0 1323 1075 A 60 LEU H A 60 LEU HBx 1.0 1.8 5.0 1324 1076 A 60 LEU H A 60 LEU HG 1.0 1.8 5.0 1325 1077 A 60 LEU H A 60 LEU HD1% 1.0 1.8 6.0 1326 1078 A 60 LEU HG A 60 LEU HA 1.0 1.8 5.0 1327 1079 A 60 LEU HD1% A 60 LEU HA 1.0 1.8 6.0 1328 1080 A 60 LEU HA A 60 LEU HD2% 1.0 1.8 6.0 1329 1081 A 60 LEU HA A 61 GLU H 1.0 1.8 5.0 1330 1082 A 60 LEU HA A 61 GLU HBx 1.0 1.8 6.0 1331 1082 A 60 LEU HA A 61 GLU HBy 1.0 1.8 6.0 1332 1083 A 60 LEU HD1% A 60 LEU HBy 1.0 1.8 6.0 1333 1084 A 60 LEU HD2% A 60 LEU HBy 1.0 1.8 6.0 1334 1085 A 60 LEU HD1% A 60 LEU HBx 1.0 1.8 6.0 1335 1086 A 60 LEU HD2% A 60 LEU HBx 1.0 1.8 6.0 1336 1087 A 61 GLU H A 60 LEU HBy 1.0 1.8 5.0 1337 1088 A 61 GLU H A 60 LEU HBx 1.0 1.8 5.0 1338 1089 A 61 GLU HA A 60 LEU HBy 1.0 1.8 6.0 1339 1089 A 60 LEU HBx A 61 GLU HA 1.0 1.8 6.0 1340 1090 A 60 LEU HD1% A 61 GLU HGx 1.0 1.8 7.0 1341 1090 A 60 LEU HD1% A 61 GLU HGy 1.0 1.8 7.0 1342 1091 A 61 GLU H A 61 GLU HA 1.0 1.8 5.0 1343 1092 A 61 GLU H A 61 GLU HBx 1.0 1.8 4.5 1344 1092 A 61 GLU H A 61 GLU HBy 1.0 1.8 4.5 1345 1093 A 61 GLU H A 61 GLU HGx 1.0 1.8 6.0 1346 1093 A 61 GLU H A 61 GLU HGy 1.0 1.8 6.0 1347 1094 A 61 GLU HA A 61 GLU HGx 1.0 1.8 6.0 1348 1094 A 61 GLU HA A 61 GLU HGy 1.0 1.8 6.0 1349 1095 A 61 GLU HA A 62 HIS H 1.0 1.8 5.0 1350 1096 A 62 HIS H A 61 GLU HBx 1.0 1.8 6.0 1351 1096 A 61 GLU HBy A 62 HIS H 1.0 1.8 6.0 1352 1097 A 61 GLU HBx A 62 HIS HBx 1.0 1.8 7.0 1353 1097 A 61 GLU HBy A 62 HIS HBx 1.0 1.8 7.0 1354 1097 A 62 HIS HBy A 61 GLU HBx 1.0 1.8 7.0 1355 1097 A 61 GLU HBy A 62 HIS HBy 1.0 1.8 7.0 1356 1098 A 62 HIS H A 61 GLU HGx 1.0 1.8 6.0 1357 1098 A 61 GLU HGy A 62 HIS H 1.0 1.8 6.0 1358 1099 A 62 HIS H A 62 HIS HBy 1.0 1.8 5.0 1359 1100 A 62 HIS H A 62 HIS HBx 1.0 1.8 5.0 1360 1101 A 62 HIS H A 63 HIS HA 1.0 1.8 5.0 1361 1102 A 62 HIS HA A 63 HIS H 1.0 1.8 3.5 1362 1103 A 63 HIS H A 62 HIS HBx 1.0 1.8 6.0 1363 1103 A 62 HIS HBy A 63 HIS H 1.0 1.8 6.0 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 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 7 GLU O A 49 LYS N 1.0 2.4 3.3 2 2 A 49 LYS H A 7 GLU O 1.0 1.5 2.3 3 3 A 9 LYS O A 51 VAL N 1.0 2.4 3.3 4 4 A 51 VAL H A 9 LYS O 1.0 1.5 2.3 5 5 A 11 VAL O A 53 LYS N 1.0 2.4 3.3 6 6 A 53 LYS H A 11 VAL O 1.0 1.5 2.3 7 7 A 14 SER O A 34 ILE N 1.0 2.4 3.3 8 8 A 34 ILE H A 14 SER O 1.0 1.5 2.3 9 9 A 16 VAL O A 32 LEU N 1.0 2.4 3.3 10 10 A 32 LEU H A 16 VAL O 1.0 1.5 2.3 11 11 A 19 ASP O A 27 HIS N 1.0 2.4 3.3 12 12 A 27 HIS H A 19 ASP O 1.0 1.5 2.3 13 13 A 32 LEU O A 16 VAL N 1.0 2.4 3.3 14 14 A 16 VAL H A 32 LEU O 1.0 1.5 2.3 15 15 A 39 GLY O A 52 LEU N 1.0 2.4 3.3 16 16 A 52 LEU H A 39 GLY O 1.0 1.5 2.3 17 17 A 41 VAL O A 50 TYR N 1.0 2.4 3.3 18 18 A 50 TYR H A 41 VAL O 1.0 1.5 2.3 19 19 A 48 CYS O A 43 CYS N 1.0 2.4 3.3 20 20 A 43 CYS H A 48 CYS O 1.0 1.5 2.3 21 21 A 49 LYS O A 9 LYS N 1.0 2.4 3.3 22 22 A 9 LYS H A 49 LYS O 1.0 1.5 2.3 23 23 A 50 TYR O A 41 VAL N 1.0 2.4 3.3 24 24 A 41 VAL H A 50 TYR O 1.0 1.5 2.3 25 25 A 51 VAL O A 11 VAL N 1.0 2.4 3.3 26 26 A 11 VAL H A 51 VAL O 1.0 1.5 2.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 7 GLU C A 8 THR N A 8 THR CA A 8 THR C 1.0 -145.86 -65.86 PHI 2 2 A 8 THR N A 8 THR CA A 8 THR C A 9 LYS N 1.0 81.80 181.80 PSI 3 3 A 8 THR C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -149.52 -69.52 PHI 4 4 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 ILE N 1.0 80.15 180.15 PSI 5 5 A 10 ILE C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -172.24 -92.24 PHI 6 6 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 ASP N 1.0 108.63 208.63 PSI 7 7 A 14 SER C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -152.05 -72.05 PHI 8 8 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 VAL N 1.0 88.78 188.78 PSI 9 9 A 15 ARG C A 16 VAL N A 16 VAL CA A 16 VAL C 1.0 -164.63 -84.63 PHI 10 10 A 16 VAL N A 16 VAL CA A 16 VAL C A 17 ALA N 1.0 87.46 187.46 PSI 11 11 A 16 VAL C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -135.67 -55.67 PHI 12 12 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 CYS N 1.0 73.46 173.46 PSI 13 13 A 19 ASP C A 20 GLY N A 20 GLY CA A 20 GLY C 1.0 -196.95 -116.95 PHI 14 14 A 20 GLY N A 20 GLY CA A 20 GLY C A 21 GLY N 1.0 113.09 213.09 PSI 15 15 A 22 GLU C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 -42.80 37.20 PHI 16 16 A 23 GLY N A 23 GLY CA A 23 GLY C A 24 ALA N 1.0 -95.79 4.21 PSI 17 17 A 23 GLY C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -117.03 -37.03 PHI 18 18 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 LEU N 1.0 -67.98 32.02 PSI 19 19 A 29 ARG C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -158.78 -78.78 PHI 20 20 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 TRP N 1.0 87.43 187.43 PSI 21 21 A 30 VAL C A 31 TRP N A 31 TRP CA A 31 TRP C 1.0 -137.97 -57.97 PHI 22 22 A 31 TRP N A 31 TRP CA A 31 TRP C A 32 LEU N 1.0 78.16 178.16 PSI 23 23 A 31 TRP C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -149.26 -69.26 PHI 24 24 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 GLN N 1.0 88.03 188.03 PSI 25 25 A 32 LEU C A 33 GLN N A 33 GLN CA A 33 GLN C 1.0 -149.41 -69.41 PHI 26 26 A 33 GLN N A 33 GLN CA A 33 GLN C A 34 ILE N 1.0 76.13 176.13 PSI 27 27 A 33 GLN C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -137.93 -57.93 PHI 28 28 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 PRO N 1.0 79.27 179.27 PSI 29 29 A 36 GLU C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -110.20 -30.20 PHI 30 30 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 THR N 1.0 -76.38 23.62 PSI 31 31 A 37 ASP C A 38 THR N A 38 THR CA A 38 THR C 1.0 -132.98 -52.98 PHI 32 32 A 38 THR N A 38 THR CA A 38 THR C A 39 GLY N 1.0 -61.02 38.98 PSI 33 33 A 38 THR C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 99.51 179.51 PHI 34 34 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 TRP N 1.0 -99.19 0.81 PSI 35 35 A 39 GLY C A 40 TRP N A 40 TRP CA A 40 TRP C 1.0 -175.31 -95.31 PHI 36 36 A 40 TRP N A 40 TRP CA A 40 TRP C A 41 VAL N 1.0 99.65 199.65 PSI 37 37 A 40 TRP C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -172.20 -92.20 PHI 38 38 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 GLU N 1.0 82.83 182.83 PSI 39 39 A 41 VAL C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -149.42 -69.42 PHI 40 40 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 CYS N 1.0 80.10 180.10 PSI 41 41 A 42 GLU C A 43 CYS N A 43 CYS CA A 43 CYS C 1.0 -151.44 -71.44 PHI 42 42 A 43 CYS N A 43 CYS CA A 43 CYS C A 44 PRO N 1.0 82.12 182.12 PSI 43 43 A 48 CYS C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -145.93 -65.93 PHI 44 44 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 TYR N 1.0 90.56 190.56 PSI 45 45 A 49 LYS C A 50 TYR N A 50 TYR CA A 50 TYR C 1.0 -149.90 -69.90 PHI 46 46 A 50 TYR N A 50 TYR CA A 50 TYR C A 51 VAL N 1.0 74.50 174.50 PSI 47 47 A 50 TYR C A 51 VAL N A 51 VAL CA A 51 VAL C 1.0 -160.94 -80.94 PHI 48 48 A 51 VAL N A 51 VAL CA A 51 VAL C A 52 LEU N 1.0 84.57 184.57 PSI 49 49 A 51 VAL C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -133.45 -53.45 PHI 50 50 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 LYS N 1.0 75.15 175.15 PSI 51 51 A 55 SER C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -101.36 -21.36 PHI 52 52 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 ALA N 1.0 -78.59 21.41 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 8000 2 13C 3619.25 3 1H 8000 stop_ save_