data_nef_c16791_2kvt 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 PRO middle . false 3 A 3 THR middle . . 4 A 4 LYS middle . . 5 A 5 PRO middle . false 6 A 6 PRO middle . false 7 A 7 TYR middle . . 8 A 8 PRO middle . false 9 A 9 ARG middle . . 10 A 10 GLU middle . . 11 A 11 ALA middle . . 12 A 12 TYR middle . . 13 A 13 ILE middle . . 14 A 14 VAL middle . . 15 A 15 THR middle . . 16 A 16 ILE middle . . 17 A 17 GLU middle . . 18 A 18 LYS middle . . 19 A 19 GLY middle . false 20 A 20 LYS middle . . 21 A 21 PRO middle . false 22 A 22 GLY middle . false 23 A 23 GLN middle . . 24 A 24 THR middle . . 25 A 25 VAL middle . . 26 A 26 THR middle . . 27 A 27 TRP middle . . 28 A 28 TYR middle . . 29 A 29 GLN middle . . 30 A 30 LEU middle . . 31 A 31 ARG middle . . 32 A 32 ALA middle . . 33 A 33 ASP middle . . 34 A 34 HIS middle . . 35 A 35 PRO middle . true 36 A 36 LYS middle . . 37 A 37 PRO middle . false 38 A 38 ASP middle . . 39 A 39 SER middle . . 40 A 40 LEU middle . . 41 A 41 ILE middle . . 42 A 42 SER middle . . 43 A 43 GLU middle . . 44 A 44 HIS middle . . 45 A 45 PRO middle . false 46 A 46 THR middle . . 47 A 47 ALA middle . . 48 A 48 GLN middle . . 49 A 49 GLU middle . . 50 A 50 ALA middle . . 51 A 51 MET middle . . 52 A 52 ASP middle . . 53 A 53 ALA middle . . 54 A 54 LYS middle . . 55 A 55 LYS middle . . 56 A 56 ARG middle . . 57 A 57 TYR middle . . 58 A 58 GLU middle . . 59 A 59 ASP middle . . 60 A 60 PRO middle . false 61 A 61 ASP middle . . 62 A 62 LYS middle . . 63 A 63 GLU middle . . 64 A 64 LEU middle . . 65 A 65 GLU middle . . 66 A 66 HIS middle . . 67 A 67 HIS middle . . 68 A 68 HIS middle . . 69 A 69 HIS middle . . 70 A 70 HIS middle . . 71 A 71 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 PRO HA H 1 4.432 . A 2 PRO HBy H 1 2.469 . A 2 PRO HBx H 1 2.050 . A 2 PRO HDy H 1 3.402 . A 2 PRO HDx H 1 3.372 . A 2 PRO HGx H 1 2.030 . A 2 PRO HGy H 1 2.030 . A 2 PRO CA C 13 62.458 . A 2 PRO CB C 13 32.678 . A 2 PRO CD C 13 49.448 . A 2 PRO CG C 13 26.672 . A 3 THR HA H 1 4.363 . A 3 THR HB H 1 4.181 . A 3 THR HG2% H 1 1.255 . A 3 THR CA C 13 62.309 . A 3 THR CB C 13 70.020 . A 3 THR CG2 C 13 21.876 . A 4 LYS HA H 1 4.594 . A 4 LYS HBy H 1 1.792 . A 4 LYS HBx H 1 1.706 . A 4 LYS HDx H 1 1.691 . A 4 LYS HDy H 1 1.691 . A 4 LYS HEx H 1 2.978 . A 4 LYS HEy H 1 2.978 . A 4 LYS HGx H 1 1.450 . A 4 LYS HGy H 1 1.450 . A 4 LYS CA C 13 54.217 . A 4 LYS CB C 13 32.747 . A 4 LYS CD C 13 29.290 . A 4 LYS CE C 13 42.184 . A 4 LYS CG C 13 24.519 . A 5 PRO HA H 1 4.630 . A 5 PRO HBy H 1 2.264 . A 5 PRO HBx H 1 1.774 . A 5 PRO HDy H 1 3.829 . A 5 PRO HDx H 1 3.598 . A 5 PRO HGx H 1 1.974 . A 5 PRO HGy H 1 1.974 . A 5 PRO CA C 13 61.379 . A 5 PRO CB C 13 30.934 . A 5 PRO CD C 13 50.649 . A 5 PRO CG C 13 27.311 . A 6 PRO HA H 1 4.338 . A 6 PRO HBy H 1 2.148 . A 6 PRO HBx H 1 1.800 . A 6 PRO HDx H 1 3.588 . A 6 PRO HDy H 1 3.712 . A 6 PRO HGy H 1 1.973 . A 6 PRO HGx H 1 1.892 . A 6 PRO C C 13 176.089 . A 6 PRO CA C 13 63.156 . A 6 PRO CB C 13 31.720 . A 6 PRO CD C 13 50.398 . A 6 PRO CG C 13 27.226 . A 7 TYR H H 1 7.668 . A 7 TYR HA H 1 4.801 . A 7 TYR HBy H 1 2.991 . A 7 TYR HBx H 1 2.757 . A 7 TYR HDx H 1 7.080 . A 7 TYR HDy H 1 7.080 . A 7 TYR HEx H 1 6.771 . A 7 TYR HEy H 1 6.771 . A 7 TYR CA C 13 55.070 . A 7 TYR CB C 13 37.972 . A 7 TYR CDx C 13 133.733 . A 7 TYR CDy C 13 133.733 . A 7 TYR CEx C 13 118.107 . A 7 TYR CEy C 13 118.107 . A 7 TYR N N 15 119.105 . A 8 PRO HA H 1 4.386 . A 8 PRO HBy H 1 2.270 . A 8 PRO HBx H 1 1.904 . A 8 PRO HDx H 1 3.717 . A 8 PRO HDy H 1 3.803 . A 8 PRO HGy H 1 1.981 . A 8 PRO HGx H 1 1.888 . A 8 PRO C C 13 176.765 . A 8 PRO CA C 13 63.492 . A 8 PRO CB C 13 32.161 . A 8 PRO CD C 13 50.710 . A 8 PRO CG C 13 27.238 . A 9 ARG H H 1 8.469 . A 9 ARG HA H 1 4.437 . A 9 ARG HBx H 1 1.711 . A 9 ARG HBy H 1 1.786 . A 9 ARG HDy H 1 2.923 . A 9 ARG HDx H 1 2.874 . A 9 ARG HGy H 1 1.529 . A 9 ARG HGx H 1 1.454 . A 9 ARG C C 13 175.002 . A 9 ARG CA C 13 55.663 . A 9 ARG CB C 13 30.956 . A 9 ARG CD C 13 43.290 . A 9 ARG CG C 13 27.175 . A 9 ARG N N 15 122.105 . A 10 GLU H H 1 8.120 . A 10 GLU HA H 1 4.759 . A 10 GLU HBy H 1 2.091 . A 10 GLU HBx H 1 2.019 . A 10 GLU HGx H 1 2.301 . A 10 GLU HGy H 1 2.301 . A 10 GLU C C 13 175.249 . A 10 GLU CA C 13 56.070 . A 10 GLU CB C 13 32.610 . A 10 GLU CG C 13 36.644 . A 10 GLU N N 15 121.315 . A 11 ALA H H 1 9.636 . A 11 ALA HA H 1 5.106 . A 11 ALA HB% H 1 1.233 . A 11 ALA C C 13 175.390 . A 11 ALA CA C 13 50.754 . A 11 ALA CB C 13 23.294 . A 11 ALA N N 15 128.755 . A 12 TYR H H 1 8.982 . A 12 TYR HA H 1 4.976 . A 12 TYR HBy H 1 3.086 . A 12 TYR HBx H 1 2.938 . A 12 TYR HDx H 1 6.804 . A 12 TYR HDy H 1 6.804 . A 12 TYR HEx H 1 6.577 . A 12 TYR HEy H 1 6.577 . A 12 TYR C C 13 172.945 . A 12 TYR CA C 13 55.723 . A 12 TYR CB C 13 40.064 . A 12 TYR CDx C 13 134.194 . A 12 TYR CDy C 13 134.194 . A 12 TYR CEx C 13 117.829 . A 12 TYR CEy C 13 117.829 . A 12 TYR N N 15 116.246 . A 13 ILE H H 1 8.564 . A 13 ILE HA H 1 5.391 . A 13 ILE HB H 1 1.697 . A 13 ILE HD1% H 1 0.789 . A 13 ILE HG1y H 1 1.534 . A 13 ILE HG1x H 1 0.795 . A 13 ILE HG2% H 1 0.964 . A 13 ILE C C 13 176.943 . A 13 ILE CA C 13 59.799 . A 13 ILE CB C 13 40.062 . A 13 ILE CD1 C 13 13.964 . A 13 ILE CG1 C 13 29.082 . A 13 ILE CG2 C 13 17.967 . A 13 ILE N N 15 119.980 . A 14 VAL H H 1 9.273 . A 14 VAL HA H 1 4.779 . A 14 VAL HB H 1 2.149 . A 14 VAL HG1% H 1 1.080 . A 14 VAL HG2% H 1 1.040 . A 14 VAL C C 13 174.988 . A 14 VAL CA C 13 60.079 . A 14 VAL CB C 13 35.615 . A 14 VAL CG1 C 13 21.281 . A 14 VAL CG2 C 13 20.934 . A 14 VAL N N 15 126.139 . A 15 THR H H 1 8.442 . A 15 THR HA H 1 4.942 . A 15 THR HB H 1 3.954 . A 15 THR HG2% H 1 0.885 . A 15 THR C C 13 174.329 . A 15 THR CA C 13 60.655 . A 15 THR CB C 13 70.353 . A 15 THR CG2 C 13 22.415 . A 15 THR N N 15 116.535 . A 16 ILE H H 1 8.719 . A 16 ILE HA H 1 4.588 . A 16 ILE HB H 1 1.630 . A 16 ILE HD1% H 1 0.760 . A 16 ILE HG1y H 1 1.368 . A 16 ILE HG1x H 1 0.872 . A 16 ILE HG2% H 1 0.751 . A 16 ILE C C 13 173.133 . A 16 ILE CA C 13 59.244 . A 16 ILE CB C 13 42.347 . A 16 ILE CD1 C 13 14.371 . A 16 ILE CG1 C 13 27.860 . A 16 ILE CG2 C 13 17.556 . A 16 ILE N N 15 119.995 . A 17 GLU H H 1 8.330 . A 17 GLU HA H 1 4.945 . A 17 GLU HBy H 1 1.856 . A 17 GLU HBx H 1 1.712 . A 17 GLU HGx H 1 2.104 . A 17 GLU HGy H 1 2.197 . A 17 GLU C C 13 176.594 . A 17 GLU CA C 13 54.810 . A 17 GLU CB C 13 30.907 . A 17 GLU CG C 13 36.124 . A 17 GLU N N 15 122.736 . A 18 LYS H H 1 9.039 . A 18 LYS HA H 1 4.660 . A 18 LYS HBy H 1 1.661 . A 18 LYS HBx H 1 1.582 . A 18 LYS HDy H 1 0.978 . A 18 LYS HDx H 1 0.601 . A 18 LYS HEx H 1 1.963 . A 18 LYS HEy H 1 2.231 . A 18 LYS HGy H 1 1.117 . A 18 LYS HGx H 1 1.061 . A 18 LYS C C 13 176.032 . A 18 LYS CA C 13 55.565 . A 18 LYS CB C 13 35.655 . A 18 LYS CD C 13 29.040 . A 18 LYS CE C 13 41.463 . A 18 LYS CG C 13 25.433 . A 18 LYS N N 15 122.983 . A 19 GLY H H 1 8.589 . A 19 GLY HAy H 1 4.642 . A 19 GLY HAx H 1 3.751 . A 19 GLY C C 13 173.225 . A 19 GLY CA C 13 43.674 . A 19 GLY N N 15 110.655 . A 20 LYS H H 1 8.236 . A 20 LYS HA H 1 4.462 . A 20 LYS HBy H 1 1.788 . A 20 LYS HBx H 1 1.582 . A 20 LYS HDx H 1 1.671 . A 20 LYS HDy H 1 1.671 . A 20 LYS HEx H 1 2.978 . A 20 LYS HEy H 1 2.978 . A 20 LYS HGx H 1 1.468 . A 20 LYS HGy H 1 1.468 . A 20 LYS CA C 13 54.433 . A 20 LYS CB C 13 32.099 . A 20 LYS CD C 13 29.239 . A 20 LYS CE C 13 42.163 . A 20 LYS CG C 13 24.737 . A 20 LYS N N 15 121.545 . A 21 PRO HA H 1 4.183 . A 21 PRO HBy H 1 2.272 . A 21 PRO HBx H 1 1.851 . A 21 PRO HDy H 1 3.867 . A 21 PRO HDx H 1 3.546 . A 21 PRO HGy H 1 2.127 . A 21 PRO HGx H 1 1.982 . A 21 PRO C C 13 177.845 . A 21 PRO CA C 13 64.554 . A 21 PRO CB C 13 31.620 . A 21 PRO CD C 13 50.395 . A 21 PRO CG C 13 27.901 . A 22 GLY H H 1 8.914 . A 22 GLY HAy H 1 4.316 . A 22 GLY HAx H 1 3.721 . A 22 GLY C C 13 174.548 . A 22 GLY CA C 13 45.419 . A 22 GLY N N 15 113.893 . A 23 GLN H H 1 8.737 . A 23 GLN HA H 1 4.745 . A 23 GLN HBy H 1 2.258 . A 23 GLN HBx H 1 1.795 . A 23 GLN HE2y H 1 7.601 . A 23 GLN HE2x H 1 6.850 . A 23 GLN HGx H 1 2.253 . A 23 GLN HGy H 1 2.253 . A 23 GLN C C 13 175.703 . A 23 GLN CA C 13 54.405 . A 23 GLN CB C 13 29.869 . A 23 GLN CG C 13 33.938 . A 23 GLN N N 15 121.707 . A 23 GLN NE2 N 15 112.157 . A 24 THR H H 1 7.792 . A 24 THR HA H 1 4.660 . A 24 THR HB H 1 4.028 . A 24 THR HG2% H 1 0.925 . A 24 THR C C 13 174.954 . A 24 THR CA C 13 61.424 . A 24 THR CB C 13 70.847 . A 24 THR CG2 C 13 22.185 . A 24 THR N N 15 112.725 . A 25 VAL H H 1 8.810 . A 25 VAL HA H 1 4.405 . A 25 VAL HB H 1 2.099 . A 25 VAL HG1% H 1 0.947 . A 25 VAL HG2% H 1 1.044 . A 25 VAL C C 13 175.358 . A 25 VAL CA C 13 60.985 . A 25 VAL CB C 13 35.806 . A 25 VAL CG1 C 13 21.370 . A 25 VAL CG2 C 13 21.155 . A 25 VAL N N 15 120.816 . A 26 THR H H 1 8.546 . A 26 THR HA H 1 4.678 . A 26 THR HB H 1 3.808 . A 26 THR HG2% H 1 0.840 . A 26 THR C C 13 173.948 . A 26 THR CA C 13 63.867 . A 26 THR CB C 13 69.295 . A 26 THR CG2 C 13 22.223 . A 26 THR N N 15 124.595 . A 27 TRP H H 1 9.289 . A 27 TRP HA H 1 4.646 . A 27 TRP HBy H 1 3.055 . A 27 TRP HBx H 1 2.765 . A 27 TRP HD1 H 1 7.185 . A 27 TRP HE1 H 1 10.253 . A 27 TRP HE3 H 1 7.303 . A 27 TRP HH2 H 1 7.236 . A 27 TRP HZ2 H 1 7.476 . A 27 TRP HZ3 H 1 6.929 . A 27 TRP C C 13 173.585 . A 27 TRP CA C 13 56.649 . A 27 TRP CB C 13 32.152 . A 27 TRP CD1 C 13 125.922 . A 27 TRP CE3 C 13 120.380 . A 27 TRP CH2 C 13 124.581 . A 27 TRP CZ2 C 13 114.731 . A 27 TRP CZ3 C 13 120.257 . A 27 TRP N N 15 127.596 . A 27 TRP NE1 N 15 130.140 . A 28 TYR H H 1 8.916 . A 28 TYR HA H 1 4.767 . A 28 TYR HBy H 1 2.776 . A 28 TYR HBx H 1 2.426 . A 28 TYR HDx H 1 6.722 . A 28 TYR HDy H 1 6.722 . A 28 TYR HEx H 1 6.652 . A 28 TYR HEy H 1 6.652 . A 28 TYR C C 13 175.724 . A 28 TYR CA C 13 57.352 . A 28 TYR CB C 13 40.517 . A 28 TYR CDx C 13 132.931 . A 28 TYR CDy C 13 132.931 . A 28 TYR CEx C 13 118.154 . A 28 TYR CEy C 13 118.154 . A 28 TYR N N 15 118.166 . A 29 GLN H H 1 9.725 . A 29 GLN HA H 1 5.036 . A 29 GLN HBy H 1 2.277 . A 29 GLN HBx H 1 1.603 . A 29 GLN HE2y H 1 8.401 . A 29 GLN HE2x H 1 7.166 . A 29 GLN HGx H 1 2.209 . A 29 GLN HGy H 1 2.335 . A 29 GLN C C 13 173.944 . A 29 GLN CA C 13 54.728 . A 29 GLN CB C 13 30.266 . A 29 GLN CG C 13 34.199 . A 29 GLN N N 15 121.413 . A 29 GLN NE2 N 15 116.343 . A 30 LEU H H 1 9.360 . A 30 LEU HA H 1 4.848 . A 30 LEU HBy H 1 2.342 . A 30 LEU HBx H 1 1.036 . A 30 LEU HD1% H 1 0.719 . A 30 LEU HD2% H 1 0.581 . A 30 LEU HG H 1 1.079 . A 30 LEU C C 13 174.795 . A 30 LEU CA C 13 54.014 . A 30 LEU CB C 13 43.410 . A 30 LEU CD1 C 13 24.774 . A 30 LEU CD2 C 13 25.488 . A 30 LEU CG C 13 27.064 . A 30 LEU N N 15 125.766 . A 31 ARG H H 1 9.169 . A 31 ARG HA H 1 5.157 . A 31 ARG HBy H 1 1.402 . A 31 ARG HBx H 1 0.858 . A 31 ARG HDy H 1 3.100 . A 31 ARG HDx H 1 2.964 . A 31 ARG HE H 1 6.587 . A 31 ARG HGy H 1 1.337 . A 31 ARG HGx H 1 1.213 . A 31 ARG C C 13 172.557 . A 31 ARG CA C 13 54.507 . A 31 ARG CB C 13 34.350 . A 31 ARG CD C 13 43.444 . A 31 ARG CG C 13 29.208 . A 31 ARG N N 15 127.666 . A 31 ARG NE N 15 83.439 . A 32 ALA H H 1 8.587 . A 32 ALA HA H 1 4.675 . A 32 ALA HB% H 1 1.456 . A 32 ALA C C 13 176.343 . A 32 ALA CA C 13 51.451 . A 32 ALA CB C 13 23.425 . A 32 ALA N N 15 117.474 . A 33 ASP H H 1 9.097 . A 33 ASP HA H 1 5.441 . A 33 ASP HBy H 1 2.955 . A 33 ASP HBx H 1 2.528 . A 33 ASP C C 13 174.003 . A 33 ASP CA C 13 54.047 . A 33 ASP CB C 13 40.095 . A 33 ASP N N 15 117.950 . A 34 HIS H H 1 7.085 . A 34 HIS HA H 1 4.508 . A 34 HIS HBx H 1 2.904 . A 34 HIS HBy H 1 2.904 . A 34 HIS CA C 13 53.973 . A 34 HIS CB C 13 33.560 . A 34 HIS N N 15 117.252 . A 35 PRO HA H 1 3.826 . A 35 PRO HBy H 1 2.018 . A 35 PRO HBx H 1 1.923 . A 35 PRO HDy H 1 3.643 . A 35 PRO HDx H 1 3.361 . A 35 PRO HGx H 1 1.657 . A 35 PRO HGy H 1 1.908 . A 35 PRO C C 13 175.363 . A 35 PRO CA C 13 63.669 . A 35 PRO CB C 13 34.002 . A 35 PRO CD C 13 49.464 . A 35 PRO CG C 13 24.815 . A 36 LYS H H 1 7.072 . A 36 LYS HBy H 1 1.761 . A 36 LYS HBx H 1 1.497 . A 36 LYS HDx H 1 1.641 . A 36 LYS HDy H 1 1.686 . A 36 LYS HEx H 1 2.955 . A 36 LYS HEy H 1 2.958 . A 36 LYS HGx H 1 1.277 . A 36 LYS HGy H 1 1.278 . A 36 LYS CA C 13 53.076 . A 36 LYS CB C 13 33.846 . A 36 LYS CD C 13 29.118 . A 36 LYS CE C 13 42.099 . A 36 LYS CG C 13 24.273 . A 36 LYS N N 15 120.651 . A 37 PRO HA H 1 4.204 . A 37 PRO HBy H 1 2.273 . A 37 PRO HBx H 1 1.794 . A 37 PRO HDx H 1 3.547 . A 37 PRO HDy H 1 3.844 . A 37 PRO HGy H 1 2.128 . A 37 PRO HGx H 1 1.981 . A 37 PRO C C 13 175.859 . A 37 PRO CA C 13 63.902 . A 37 PRO CB C 13 31.818 . A 37 PRO CD C 13 50.451 . A 37 PRO CG C 13 27.836 . A 38 ASP H H 1 9.367 . A 38 ASP HA H 1 4.380 . A 38 ASP HBy H 1 3.047 . A 38 ASP HBx H 1 2.438 . A 38 ASP C C 13 176.097 . A 38 ASP CA C 13 55.036 . A 38 ASP CB C 13 40.098 . A 38 ASP N N 15 121.357 . A 39 SER H H 1 9.012 . A 39 SER HA H 1 4.356 . A 39 SER HBy H 1 3.963 . A 39 SER HBx H 1 3.637 . A 39 SER C C 13 173.181 . A 39 SER CA C 13 60.154 . A 39 SER CB C 13 64.251 . A 39 SER N N 15 116.652 . A 40 LEU H H 1 8.604 . A 40 LEU HA H 1 4.208 . A 40 LEU HBy H 1 1.843 . A 40 LEU HBx H 1 1.219 . A 40 LEU HD1% H 1 0.732 . A 40 LEU HD2% H 1 0.728 . A 40 LEU HG H 1 1.190 . A 40 LEU C C 13 176.199 . A 40 LEU CA C 13 55.244 . A 40 LEU CB C 13 42.384 . A 40 LEU CD1 C 13 23.871 . A 40 LEU CD2 C 13 25.843 . A 40 LEU CG C 13 27.078 . A 40 LEU N N 15 124.905 . A 41 ILE H H 1 9.410 . A 41 ILE HA H 1 4.057 . A 41 ILE HB H 1 1.599 . A 41 ILE HD1% H 1 0.308 . A 41 ILE HG1y H 1 1.004 . A 41 ILE HG1x H 1 0.864 . A 41 ILE HG2% H 1 0.802 . A 41 ILE C C 13 176.477 . A 41 ILE CA C 13 62.276 . A 41 ILE CB C 13 37.097 . A 41 ILE CD1 C 13 10.718 . A 41 ILE CG1 C 13 26.865 . A 41 ILE CG2 C 13 17.526 . A 41 ILE N N 15 129.751 . A 42 SER H H 1 7.819 . A 42 SER HA H 1 4.429 . A 42 SER HBy H 1 4.036 . A 42 SER HBx H 1 3.671 . A 42 SER C C 13 171.810 . A 42 SER CA C 13 58.102 . A 42 SER CB C 13 62.385 . A 42 SER N N 15 109.508 . A 43 GLU H H 1 8.330 . A 43 GLU HA H 1 5.282 . A 43 GLU HBx H 1 1.882 . A 43 GLU HBy H 1 1.986 . A 43 GLU HGy H 1 2.189 . A 43 GLU HGx H 1 2.114 . A 43 GLU C C 13 174.950 . A 43 GLU CA C 13 55.270 . A 43 GLU CB C 13 34.354 . A 43 GLU CG C 13 38.049 . A 43 GLU N N 15 117.699 . A 44 HIS H H 1 9.179 . A 44 HIS HA H 1 5.196 . A 44 HIS HBy H 1 3.134 . A 44 HIS HBx H 1 2.957 . A 44 HIS CA C 13 54.068 . A 44 HIS CB C 13 33.360 . A 44 HIS N N 15 119.140 . A 45 PRO HA H 1 3.791 . A 45 PRO HBy H 1 1.770 . A 45 PRO HBx H 1 1.401 . A 45 PRO HDy H 1 4.067 . A 45 PRO HDx H 1 3.824 . A 45 PRO HGy H 1 2.103 . A 45 PRO HGx H 1 2.015 . A 45 PRO C C 13 176.148 . A 45 PRO CA C 13 63.420 . A 45 PRO CB C 13 32.175 . A 45 PRO CD C 13 51.022 . A 45 PRO CG C 13 26.974 . A 46 THR H H 1 6.656 . A 46 THR HA H 1 4.545 . A 46 THR HB H 1 4.346 . A 46 THR HG2% H 1 1.140 . A 46 THR C C 13 173.495 . A 46 THR CA C 13 58.822 . A 46 THR CB C 13 73.033 . A 46 THR CG2 C 13 21.492 . A 46 THR N N 15 104.042 . A 47 ALA H H 1 8.151 . A 47 ALA HA H 1 2.894 . A 47 ALA HB% H 1 0.930 . A 47 ALA C C 13 180.112 . A 47 ALA CA C 13 54.390 . A 47 ALA CB C 13 17.496 . A 47 ALA N N 15 125.757 . A 48 GLN H H 1 8.461 . A 48 GLN HA H 1 3.768 . A 48 GLN HBy H 1 2.081 . A 48 GLN HBx H 1 1.849 . A 48 GLN HE2y H 1 7.653 . A 48 GLN HE2x H 1 6.840 . A 48 GLN HGy H 1 2.354 . A 48 GLN HGx H 1 2.256 . A 48 GLN C C 13 178.097 . A 48 GLN CA C 13 58.804 . A 48 GLN CB C 13 28.015 . A 48 GLN CG C 13 33.568 . A 48 GLN N N 15 117.063 . A 48 GLN NE2 N 15 114.951 . A 49 GLU H H 1 7.524 . A 49 GLU HA H 1 3.978 . A 49 GLU HBy H 1 2.091 . A 49 GLU HBx H 1 2.035 . A 49 GLU HGx H 1 2.270 . A 49 GLU HGy H 1 2.270 . A 49 GLU C C 13 179.360 . A 49 GLU CA C 13 59.329 . A 49 GLU CB C 13 30.604 . A 49 GLU CG C 13 38.211 . A 49 GLU N N 15 117.639 . A 50 ALA H H 1 7.242 . A 50 ALA HA H 1 3.309 . A 50 ALA HB% H 1 1.296 . A 50 ALA C C 13 178.327 . A 50 ALA CA C 13 54.830 . A 50 ALA CB C 13 18.124 . A 50 ALA N N 15 122.230 . A 51 MET H H 1 8.413 . A 51 MET HA H 1 4.009 . A 51 MET HBy H 1 2.118 . A 51 MET HBx H 1 2.005 . A 51 MET HGy H 1 2.534 . A 51 MET HGx H 1 2.483 . A 51 MET C C 13 179.335 . A 51 MET CA C 13 58.338 . A 51 MET CB C 13 31.692 . A 51 MET CG C 13 32.558 . A 51 MET N N 15 118.809 . A 52 ASP H H 1 8.296 . A 52 ASP HA H 1 4.360 . A 52 ASP HBy H 1 2.628 . A 52 ASP HBx H 1 2.571 . A 52 ASP C C 13 178.693 . A 52 ASP CA C 13 57.325 . A 52 ASP CB C 13 40.023 . A 52 ASP N N 15 121.983 . A 53 ALA H H 1 7.678 . A 53 ALA HA H 1 3.992 . A 53 ALA HB% H 1 1.239 . A 53 ALA C C 13 180.346 . A 53 ALA CA C 13 54.973 . A 53 ALA CB C 13 18.816 . A 53 ALA N N 15 123.311 . A 54 LYS H H 1 8.562 . A 54 LYS HA H 1 3.732 . A 54 LYS HBy H 1 2.201 . A 54 LYS HBx H 1 1.720 . A 54 LYS HDy H 1 1.713 . A 54 LYS HDx H 1 1.477 . A 54 LYS HEy H 1 3.198 . A 54 LYS HEx H 1 3.133 . A 54 LYS HGy H 1 1.328 . A 54 LYS HGx H 1 1.231 . A 54 LYS C C 13 177.115 . A 54 LYS CA C 13 60.349 . A 54 LYS CB C 13 33.299 . A 54 LYS CD C 13 30.548 . A 54 LYS CE C 13 42.218 . A 54 LYS CG C 13 25.007 . A 54 LYS N N 15 123.350 . A 55 LYS H H 1 7.782 . A 55 LYS HA H 1 4.148 . A 55 LYS HBx H 1 1.949 . A 55 LYS HBy H 1 1.949 . A 55 LYS HDx H 1 1.718 . A 55 LYS HDy H 1 1.718 . A 55 LYS HEx H 1 2.982 . A 55 LYS HEy H 1 2.982 . A 55 LYS HGy H 1 1.596 . A 55 LYS HGx H 1 1.489 . A 55 LYS C C 13 179.316 . A 55 LYS CA C 13 59.233 . A 55 LYS CB C 13 32.139 . A 55 LYS CD C 13 29.272 . A 55 LYS CE C 13 42.221 . A 55 LYS CG C 13 25.068 . A 55 LYS N N 15 118.557 . A 56 ARG H H 1 7.632 . A 56 ARG HA H 1 4.118 . A 56 ARG HBx H 1 1.867 . A 56 ARG HBy H 1 1.869 . A 56 ARG HDy H 1 3.282 . A 56 ARG HDx H 1 3.195 . A 56 ARG HGx H 1 1.603 . A 56 ARG HGy H 1 1.824 . A 56 ARG C C 13 178.334 . A 56 ARG CA C 13 59.019 . A 56 ARG CB C 13 30.534 . A 56 ARG CD C 13 43.473 . A 56 ARG CG C 13 28.061 . A 56 ARG N N 15 117.044 . A 57 TYR H H 1 8.159 . A 57 TYR HA H 1 4.030 . A 57 TYR HBy H 1 3.142 . A 57 TYR HBx H 1 3.050 . A 57 TYR HDx H 1 6.948 . A 57 TYR HDy H 1 6.948 . A 57 TYR HEx H 1 6.684 . A 57 TYR HEy H 1 6.684 . A 57 TYR C C 13 177.143 . A 57 TYR CA C 13 61.414 . A 57 TYR CB C 13 39.179 . A 57 TYR CDx C 13 133.373 . A 57 TYR CDy C 13 133.373 . A 57 TYR CEx C 13 117.962 . A 57 TYR CEy C 13 117.962 . A 57 TYR N N 15 119.863 . A 58 GLU H H 1 8.069 . A 58 GLU HA H 1 3.967 . A 58 GLU HBy H 1 2.145 . A 58 GLU HBx H 1 2.054 . A 58 GLU HGy H 1 2.861 . A 58 GLU HGx H 1 2.518 . A 58 GLU C C 13 176.273 . A 58 GLU CA C 13 57.281 . A 58 GLU CB C 13 30.286 . A 58 GLU CG C 13 37.768 . A 58 GLU N N 15 115.337 . A 59 ASP H H 1 7.487 . A 59 ASP HA H 1 4.857 . A 59 ASP HBy H 1 2.841 . A 59 ASP HBx H 1 2.659 . A 59 ASP CA C 13 52.389 . A 59 ASP CB C 13 41.447 . A 59 ASP N N 15 119.922 . A 60 PRO HA H 1 4.393 . A 60 PRO HBy H 1 2.243 . A 60 PRO HBx H 1 1.928 . A 60 PRO HDy H 1 3.770 . A 60 PRO HDx H 1 3.768 . A 60 PRO HGx H 1 1.931 . A 60 PRO HGy H 1 1.931 . A 60 PRO C C 13 177.801 . A 60 PRO CA C 13 63.937 . A 60 PRO CB C 13 32.188 . A 60 PRO CD C 13 50.657 . A 60 PRO CG C 13 27.143 . A 61 ASP H H 1 8.405 . A 61 ASP HA H 1 4.599 . A 61 ASP HBy H 1 2.732 . A 61 ASP HBx H 1 2.604 . A 61 ASP C C 13 176.626 . A 61 ASP CA C 13 54.809 . A 61 ASP CB C 13 40.952 . A 61 ASP N N 15 119.041 . A 62 LYS H H 1 7.813 . A 62 LYS HA H 1 4.215 . A 62 LYS HBx H 1 1.807 . A 62 LYS HBy H 1 1.807 . A 62 LYS HDx H 1 1.647 . A 62 LYS HDy H 1 1.647 . A 62 LYS HEx H 1 2.966 . A 62 LYS HEy H 1 2.966 . A 62 LYS HGx H 1 1.387 . A 62 LYS HGy H 1 1.387 . A 62 LYS C C 13 176.760 . A 62 LYS CA C 13 56.570 . A 62 LYS CB C 13 32.749 . A 62 LYS CD C 13 28.952 . A 62 LYS CE C 13 42.221 . A 62 LYS CG C 13 24.625 . A 62 LYS N N 15 120.813 . A 63 GLU H H 1 8.386 . A 63 GLU HA H 1 4.187 . A 63 GLU HBy H 1 2.023 . A 63 GLU HBx H 1 1.909 . A 63 GLU HGx H 1 2.208 . A 63 GLU HGy H 1 2.258 . A 63 GLU C C 13 176.830 . A 63 GLU CA C 13 56.935 . A 63 GLU CB C 13 30.040 . A 63 GLU CG C 13 36.297 . A 63 GLU N N 15 121.390 . A 64 LEU H H 1 8.177 . A 64 LEU HA H 1 4.227 . A 64 LEU HBy H 1 1.585 . A 64 LEU HBx H 1 1.463 . A 64 LEU HD1% H 1 0.872 . A 64 LEU HD2% H 1 0.805 . A 64 LEU HG H 1 1.571 . A 64 LEU C C 13 177.599 . A 64 LEU CA C 13 55.400 . A 64 LEU CB C 13 42.235 . A 64 LEU CD1 C 13 25.042 . A 64 LEU CD2 C 13 23.373 . A 64 LEU CG C 13 26.971 . A 64 LEU N N 15 121.903 . A 65 GLU H H 1 8.251 . A 65 GLU CA C 13 56.813 . A 65 GLU N N 15 120.854 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type 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 8 PRO HA A 9 ARG H 1.0 1.8 3.81 2 2 A 9 ARG HA A 10 GLU H 1.0 1.8 3.56 3 3 A 10 GLU H A 9 ARG HBx 1.0 1.8 5.35 4 4 A 10 GLU H A 9 ARG HBy 1.0 1.8 5.35 5 5 A 10 GLU H A 10 GLU HBy 1.0 1.8 4.32 6 6 A 10 GLU H A 10 GLU HBx 1.0 1.8 4.32 7 7 A 10 GLU HA A 11 ALA H 1.0 1.8 3.51 8 8 A 11 ALA H A 10 GLU HBx 1.0 1.8 5.06 9 9 A 11 ALA H A 10 GLU HBy 1.0 1.8 5.06 10 10 A 11 ALA H A 11 ALA HB% 1.0 1.8 3.94 11 11 A 11 ALA HA A 12 TYR H 1.0 1.8 3.18 12 12 A 11 ALA HB% A 12 TYR H 1.0 1.8 3.29 13 13 A 12 TYR H A 12 TYR HBx 1.0 1.8 4.48 14 14 A 12 TYR H A 12 TYR HBy 1.0 1.8 4.53 15 15 A 12 TYR HA A 13 ILE H 1.0 1.8 3.18 16 16 A 12 TYR HBx A 13 ILE H 1.0 1.8 4.14 17 17 A 12 TYR HBy A 13 ILE H 1.0 1.8 3.75 18 18 A 13 ILE H A 13 ILE HB 1.0 1.8 3.39 19 19 A 13 ILE HA A 14 VAL H 1.0 1.8 3.10 20 20 A 13 ILE HB A 14 VAL H 1.0 1.8 4.81 21 21 A 14 VAL HA A 15 THR H 1.0 1.8 2.93 22 22 A 14 VAL H A 14 VAL HB 1.0 1.8 4.08 23 23 A 15 THR HA A 16 ILE H 1.0 1.8 3.08 24 24 A 16 ILE H A 15 THR HB 1.0 1.8 3.78 25 25 A 15 THR H A 15 THR HB 1.0 1.8 4.23 26 26 A 16 ILE HA A 17 GLU H 1.0 1.8 2.97 27 27 A 17 GLU H A 16 ILE HB 1.0 1.8 3.50 28 28 A 17 GLU HA A 18 LYS H 1.0 1.8 3.16 29 29 A 17 GLU H A 17 GLU HBy 1.0 1.8 4.30 30 30 A 18 LYS H A 18 LYS HBx 1.0 1.8 4.30 31 31 A 18 LYS H A 18 LYS HBy 1.0 1.8 3.90 32 32 A 19 GLY HAy A 20 LYS H 1.0 1.8 3.39 33 33 A 20 LYS H A 19 GLY HAx 1.0 1.8 3.27 34 34 A 23 GLN HA A 24 THR H 1.0 1.8 3.64 35 35 A 24 THR H A 23 GLN HBy 1.0 1.8 5.09 36 36 A 24 THR H A 23 GLN HBx 1.0 1.8 5.09 37 37 A 23 GLN H A 23 GLN HGx 1.0 1.8 3.60 38 38 A 25 VAL HA A 26 THR H 1.0 1.8 2.87 39 39 A 24 THR HB A 25 VAL H 1.0 1.8 3.55 40 40 A 25 VAL H A 24 THR HA 1.0 1.8 2.98 41 41 A 25 VAL H A 25 VAL HB 1.0 1.8 3.66 42 42 A 26 THR HB A 27 TRP H 1.0 1.8 4.95 43 43 A 26 THR H A 26 THR HB 1.0 1.8 3.27 44 44 A 27 TRP HA A 28 TYR H 1.0 1.8 3.48 45 45 A 28 TYR H A 27 TRP HBx 1.0 1.8 4.04 46 46 A 27 TRP H A 27 TRP HBx 1.0 1.8 4.44 47 47 A 27 TRP H A 27 TRP HBy 1.0 1.8 4.02 48 48 A 27 TRP H A 26 THR HA 1.0 1.8 3.12 49 49 A 28 TYR HBy A 29 GLN H 1.0 1.8 4.94 50 50 A 29 GLN H A 28 TYR HBx 1.0 1.8 4.29 51 51 A 29 GLN H A 28 TYR HA 1.0 1.8 3.22 52 52 A 28 TYR H A 28 TYR HBx 1.0 1.8 4.47 53 53 A 28 TYR H A 28 TYR HBy 1.0 1.8 3.74 54 54 A 29 GLN HA A 30 LEU H 1.0 1.8 3.36 55 55 A 30 LEU H A 29 GLN HBy 1.0 1.8 4.92 56 56 A 30 LEU H A 29 GLN HBx 1.0 1.8 4.23 57 57 A 15 THR HA A 29 GLN H 1.0 1.8 4.32 58 58 A 29 GLN H A 29 GLN HBy 1.0 1.8 3.69 59 59 A 29 GLN H A 29 GLN HBx 1.0 1.8 4.33 60 60 A 30 LEU HA A 31 ARG H 1.0 1.8 3.49 61 61 A 31 ARG H A 30 LEU HBx 1.0 1.8 5.62 62 62 A 31 ARG H A 14 VAL HG2% 1.0 1.8 4.52 63 63 A 31 ARG H A 30 LEU HG 1.0 1.8 4.92 64 64 A 30 LEU H A 30 LEU HBx 1.0 1.8 3.73 65 65 A 31 ARG HA A 32 ALA H 1.0 1.8 3.79 66 66 A 32 ALA H A 31 ARG HBy 1.0 1.8 4.50 67 67 A 32 ALA H A 31 ARG HBx 1.0 1.8 4.50 68 68 A 32 ALA HA A 33 ASP H 1.0 1.8 3.83 69 69 A 33 ASP H A 32 ALA HB% 1.0 1.8 3.88 70 70 A 32 ALA H A 32 ALA HB% 1.0 1.8 3.82 71 71 A 33 ASP H A 33 ASP HBy 1.0 1.8 4.59 72 72 A 33 ASP H A 33 ASP HBx 1.0 1.8 4.59 73 73 A 37 PRO HA A 38 ASP H 1.0 1.8 3.93 74 74 A 38 ASP H A 37 PRO HBy 1.0 1.8 4.72 75 75 A 38 ASP H A 38 ASP HBx 1.0 1.8 4.59 76 76 A 38 ASP H A 38 ASP HBy 1.0 1.8 4.59 77 77 A 39 SER HA A 40 LEU H 1.0 1.8 3.21 78 78 A 40 LEU H A 39 SER HBy 1.0 1.8 4.93 79 79 A 40 LEU H A 39 SER HBx 1.0 1.8 4.93 80 80 A 40 LEU HA A 41 ILE H 1.0 1.8 3.66 81 81 A 41 ILE H A 40 LEU HG 1.0 1.8 4.23 82 82 A 40 LEU H A 40 LEU HBx 1.0 1.8 3.55 83 83 A 40 LEU H A 40 LEU HBy 1.0 1.8 3.55 84 84 A 41 ILE HB A 42 SER H 1.0 1.8 3.55 85 85 A 41 ILE H A 41 ILE HB 1.0 1.8 3.97 86 86 A 42 SER HA A 43 GLU H 1.0 1.8 3.52 87 87 A 43 GLU H A 42 SER HBy 1.0 1.8 4.33 88 88 A 43 GLU H A 42 SER HBx 1.0 1.8 4.33 89 89 A 43 GLU HA A 44 HIS H 1.0 1.8 3.32 90 90 A 44 HIS H A 43 GLU HBx 1.0 1.8 4.66 91 91 A 44 HIS H A 43 GLU HBy 1.0 1.8 4.66 92 92 A 43 GLU H A 43 GLU HBy 1.0 1.8 4.62 93 93 A 43 GLU H A 43 GLU HBx 1.0 1.8 4.62 94 94 A 46 THR H A 45 PRO HDx 1.0 1.8 4.83 95 95 A 46 THR H A 45 PRO HBy 1.0 1.8 4.79 96 96 A 46 THR HA A 47 ALA H 1.0 1.8 3.20 97 97 A 47 ALA H A 46 THR HB 1.0 1.8 3.48 98 98 A 47 ALA H A 47 ALA HB% 1.0 1.8 3.12 99 99 A 49 GLU H A 49 GLU HBy 1.0 1.8 3.58 100 100 A 49 GLU H A 48 GLN HBx 1.0 1.8 3.99 101 101 A 48 GLN HBx A 48 GLN H 1.0 1.8 3.66 102 102 A 48 GLN H A 48 GLN HBy 1.0 1.8 3.50 103 103 A 49 GLU HBx A 50 ALA H 1.0 1.8 4.13 104 104 A 49 GLU HBy A 50 ALA H 1.0 1.8 3.98 105 105 A 50 ALA HB% A 51 MET H 1.0 1.8 3.69 106 106 A 50 ALA H A 50 ALA HB% 1.0 1.8 3.18 107 107 A 49 GLU HA A 52 ASP H 1.0 1.8 4.35 108 108 A 52 ASP H A 51 MET HBy 1.0 1.8 3.96 109 109 A 52 ASP H A 51 MET HBx 1.0 1.8 4.08 110 110 A 51 MET H A 51 MET HBy 1.0 1.8 3.61 111 111 A 51 MET H A 51 MET HBx 1.0 1.8 3.94 112 112 A 52 ASP H A 52 ASP HBy 1.0 1.8 3.64 113 113 A 52 ASP H A 52 ASP HBx 1.0 1.8 3.64 114 114 A 51 MET HA A 54 LYS H 1.0 1.8 4.22 115 115 A 54 LYS H A 53 ALA HB% 1.0 1.8 3.62 116 116 A 53 ALA HB% A 53 ALA H 1.0 1.8 3.05 117 117 A 54 LYS H A 54 LYS HBy 1.0 1.8 3.66 118 118 A 54 LYS H A 54 LYS HBx 1.0 1.8 3.66 119 119 A 55 LYS H A 56 ARG H 1.0 1.8 3.83 120 120 A 57 TYR H A 58 GLU H 1.0 1.8 4.10 121 121 A 58 GLU H A 57 TYR HBx 1.0 1.8 4.20 122 122 A 58 GLU H A 57 TYR HBy 1.0 1.8 4.66 123 123 A 57 TYR H A 57 TYR HBy 1.0 1.8 3.61 124 124 A 57 TYR H A 57 TYR HBx 1.0 1.8 3.69 125 125 A 58 GLU HBx A 59 ASP H 1.0 1.8 4.91 126 126 A 59 ASP H A 58 GLU HBy 1.0 1.8 4.98 127 127 A 58 GLU H A 58 GLU HBy 1.0 1.8 4.32 128 128 A 58 GLU H A 58 GLU HBx 1.0 1.8 3.99 129 129 A 60 PRO HA A 61 ASP H 1.0 1.8 3.81 130 130 A 61 ASP H A 62 LYS H 1.0 1.8 4.22 131 131 A 62 LYS H A 61 ASP HBy 1.0 1.8 5.44 132 132 A 62 LYS H A 61 ASP HBx 1.0 1.8 5.44 133 133 A 61 ASP H A 61 ASP HBx 1.0 1.8 4.19 134 134 A 61 ASP H A 61 ASP HBy 1.0 1.8 4.19 135 135 A 62 LYS H A 63 GLU H 1.0 1.8 5.08 136 136 A 63 GLU H A 62 LYS HA 1.0 1.8 3.85 137 137 A 63 GLU H A 62 LYS HBx 1.0 1.8 5.47 138 138 A 63 GLU H A 62 LYS HBy 1.0 1.8 5.47 139 139 A 62 LYS H A 62 LYS HBx 1.0 1.8 4.31 140 140 A 62 LYS H A 62 LYS HBy 1.0 1.8 4.31 141 141 A 64 LEU H A 63 GLU HBy 1.0 1.8 5.22 142 142 A 64 LEU H A 63 GLU HBx 1.0 1.8 5.22 143 143 A 65 GLU H A 64 LEU HBy 1.0 1.8 5.12 144 144 A 65 GLU H A 64 LEU HG 1.0 1.8 5.84 145 145 A 65 GLU H A 64 LEU HBx 1.0 1.8 5.12 146 146 A 64 LEU H A 64 LEU HG 1.0 1.8 4.44 147 147 A 10 GLU H A 32 ALA HB% 1.0 1.8 5.43 148 148 A 48 GLN HA A 48 GLN HE2y 1.0 1.8 5.25 149 149 A 48 GLN HBy A 48 GLN HE2y 1.0 1.8 4.66 150 150 A 29 GLN HGx A 29 GLN HE2x 1.0 1.8 3.99 151 151 A 29 GLN HBx A 29 GLN HE2x 1.0 1.8 5.09 152 152 A 29 GLN HGx A 29 GLN HE2y 1.0 1.8 3.99 153 153 A 29 GLN HE2y A 29 GLN HGy 1.0 1.8 4.44 154 154 A 29 GLN HE2x A 29 GLN HGy 1.0 1.8 4.44 155 155 A 20 LYS H A 20 LYS HBx 1.0 1.8 3.95 156 156 A 20 LYS H A 20 LYS HBy 1.0 1.8 3.26 157 157 A 59 ASP H A 59 ASP HBy 1.0 1.8 4.05 158 158 A 59 ASP H A 59 ASP HBx 1.0 1.8 4.05 159 159 A 44 HIS H A 44 HIS HBy 1.0 1.8 4.54 160 160 A 44 HIS H A 44 HIS HBx 1.0 1.8 4.54 161 161 A 36 LYS H A 36 LYS HBy 1.0 1.8 4.42 162 162 A 36 LYS H A 36 LYS HBx 1.0 1.8 4.42 163 163 A 36 LYS H A 35 PRO HDy 1.0 1.8 4.79 164 164 A 36 LYS H A 35 PRO HBy 1.0 1.8 4.76 165 165 A 29 GLN HBy A 31 ARG HE 1.0 1.8 5.15 166 166 A 29 GLN HBx A 31 ARG HE 1.0 1.8 5.08 167 167 A 14 VAL HG2% A 31 ARG HE 1.0 1.8 5.06 168 168 A 31 ARG HE A 40 LEU HD1% 1.0 1.8 4.79 169 169 A 46 THR H A 47 ALA H 1.0 1.8 5.18 170 170 A 46 THR H A 49 GLU H 1.0 1.8 4.79 171 171 A 46 THR H A 44 HIS HA 1.0 1.8 4.82 172 172 A 46 THR H A 45 PRO HDy 1.0 1.8 4.83 173 173 A 46 THR H A 44 HIS HBy 1.0 1.8 4.27 174 174 A 46 THR H A 44 HIS HBx 1.0 1.8 4.27 175 175 A 28 TYR HBy A 46 THR H 1.0 1.8 5.48 176 176 A 46 THR H A 45 PRO HGy 1.0 1.8 3.67 177 177 A 46 THR H A 46 THR HG2% 1.0 1.8 3.89 178 178 A 48 GLN HA A 48 GLN HE2x 1.0 1.8 5.37 179 179 A 48 GLN HBy A 48 GLN HE2x 1.0 1.8 5.38 180 180 A 36 LYS H A 34 HIS HA 1.0 1.8 4.29 181 181 A 36 LYS H A 35 PRO HDx 1.0 1.8 4.79 182 182 A 33 ASP H A 34 HIS H 1.0 1.8 3.99 183 183 A 32 ALA HA A 34 HIS H 1.0 1.8 5.08 184 184 A 32 ALA HB% A 34 HIS H 1.0 1.8 3.60 185 185 A 50 ALA H A 51 MET H 1.0 1.8 3.50 186 186 A 49 GLU H A 50 ALA H 1.0 1.8 3.65 187 187 A 46 THR H A 50 ALA H 1.0 1.8 4.98 188 188 A 50 ALA H A 48 GLN HA 1.0 1.8 5.57 189 189 A 50 ALA H A 47 ALA HA 1.0 1.8 4.14 190 190 A 50 ALA H A 13 ILE HD1% 1.0 1.8 5.46 191 191 A 58 GLU H A 59 ASP H 1.0 1.8 3.93 192 192 A 59 ASP H A 56 ARG HA 1.0 1.8 4.64 193 193 A 47 ALA H A 49 GLU H 1.0 1.8 5.35 194 194 A 49 GLU H A 47 ALA HA 1.0 1.8 5.65 195 195 A 49 GLU H A 50 ALA HB% 1.0 1.8 5.05 196 196 A 49 GLU H A 46 THR HG2% 1.0 1.8 5.03 197 197 A 47 ALA HB% A 49 GLU H 1.0 1.8 5.18 198 198 A 54 LYS H A 56 ARG H 1.0 1.8 5.48 199 199 A 56 ARG H A 52 ASP HA 1.0 1.8 5.51 200 200 A 56 ARG H A 53 ALA HA 1.0 1.8 4.48 201 201 A 53 ALA HB% A 56 ARG H 1.0 1.8 5.53 202 202 A 54 LYS H A 53 ALA H 1.0 1.8 3.61 203 203 A 52 ASP H A 53 ALA H 1.0 1.8 3.56 204 204 A 53 ALA H A 50 ALA HA 1.0 1.8 4.17 205 205 A 53 ALA H A 30 LEU HD2% 1.0 1.8 5.38 206 206 A 54 LYS H A 55 LYS H 1.0 1.8 3.77 207 207 A 55 LYS H A 57 TYR H 1.0 1.8 5.18 208 208 A 55 LYS H A 52 ASP HA 1.0 1.8 4.38 209 209 A 55 LYS H A 53 ALA HA 1.0 1.8 5.73 210 210 A 55 LYS H A 55 LYS HGy 1.0 1.8 4.57 211 211 A 55 LYS H A 55 LYS HGx 1.0 1.8 4.57 212 212 A 53 ALA HB% A 55 LYS H 1.0 1.8 5.72 213 213 A 55 LYS H A 30 LEU HD1% 1.0 1.8 5.85 214 214 A 24 THR H A 24 THR HG2% 1.0 1.8 3.53 215 215 A 60 PRO HA A 62 LYS H 1.0 1.8 5.07 216 216 A 41 ILE H A 42 SER H 1.0 1.8 3.66 217 217 A 42 SER H A 43 GLU H 1.0 1.8 5.33 218 218 A 40 LEU HA A 42 SER H 1.0 1.8 4.92 219 219 A 30 LEU HBx A 42 SER H 1.0 1.8 4.02 220 220 A 40 LEU HG A 42 SER H 1.0 1.8 4.49 221 221 A 42 SER H A 41 ILE HG2% 1.0 1.8 3.92 222 222 A 42 SER H A 30 LEU HD2% 1.0 1.8 4.79 223 223 A 58 GLU H A 55 LYS HA 1.0 1.8 4.84 224 224 A 58 GLU H A 56 ARG HA 1.0 1.8 5.50 225 225 A 58 GLU H A 54 LYS HA 1.0 1.8 5.37 226 226 A 58 GLU H A 58 GLU HGy 1.0 1.8 4.59 227 227 A 58 GLU H A 58 GLU HGx 1.0 1.8 4.59 228 228 A 10 GLU H A 11 ALA H 1.0 1.8 5.35 229 229 A 10 GLU H A 57 TYR HEy 1.0 1.8 4.89 230 230 A 47 ALA H A 28 TYR HEx 1.0 1.8 5.21 231 231 A 47 ALA H A 48 GLN HA 1.0 1.8 5.73 232 232 A 47 ALA H A 48 GLN HBy 1.0 1.8 5.54 233 233 A 47 ALA H A 48 GLN HBx 1.0 1.8 5.73 234 234 A 47 ALA H A 50 ALA HB% 1.0 1.8 5.60 235 235 A 47 ALA H A 46 THR HG2% 1.0 1.8 4.07 236 236 A 56 ARG H A 57 TYR H 1.0 1.8 3.92 237 237 A 57 TYR H A 57 TYR HDy 1.0 1.8 4.99 238 238 A 11 ALA HB% A 57 TYR H 1.0 1.8 6.04 239 239 A 53 ALA HB% A 57 TYR H 1.0 1.8 6.30 240 240 A 57 TYR H A 30 LEU HD2% 1.0 1.8 4.96 241 241 A 64 LEU H A 63 GLU HGx 1.0 1.8 6.20 242 242 A 64 LEU H A 63 GLU HGy 1.0 1.8 6.20 243 243 A 52 ASP H A 54 LYS H 1.0 1.8 5.02 244 244 A 51 MET H A 52 ASP H 1.0 1.8 3.70 245 245 A 52 ASP H A 48 GLN HA 1.0 1.8 5.10 246 246 A 52 ASP H A 53 ALA HB% 1.0 1.8 4.95 247 247 A 17 GLU H A 18 LYS H 1.0 1.8 4.97 248 248 A 17 GLU H A 17 GLU HGx 1.0 1.8 4.37 249 249 A 17 GLU H A 16 ILE HG1x 1.0 1.8 4.07 250 250 A 17 GLU H A 18 LYS HGx 1.0 1.8 5.27 251 251 A 17 GLU H A 16 ILE HG2% 1.0 1.8 4.57 252 252 A 43 GLU H A 40 LEU HD1% 1.0 1.8 5.81 253 253 A 43 GLU H A 40 LEU HD2% 1.0 1.8 6.40 254 254 A 29 GLN HBx A 29 GLN HE2y 1.0 1.8 5.09 255 255 A 29 GLN HE2y A 16 ILE HG1x 1.0 1.8 6.51 256 256 A 29 GLN HE2y A 16 ILE HD1% 1.0 1.8 3.44 257 257 A 51 MET H A 48 GLN HE2y 1.0 1.8 5.63 258 258 A 49 GLU H A 51 MET H 1.0 1.8 5.09 259 259 A 51 MET H A 48 GLN HA 1.0 1.8 3.89 260 260 A 47 ALA HB% A 51 MET H 1.0 1.8 5.26 261 261 A 51 MET H A 13 ILE HD1% 1.0 1.8 4.35 262 262 A 14 VAL H A 15 THR H 1.0 1.8 5.01 263 263 A 15 THR H A 16 ILE H 1.0 1.8 4.99 264 264 A 15 THR H A 14 VAL HG1% 1.0 1.8 3.70 265 265 A 47 ALA H A 48 GLN H 1.0 1.8 3.89 266 266 A 49 GLU H A 48 GLN H 1.0 1.8 4.08 267 267 A 48 GLN H A 50 ALA H 1.0 1.8 5.69 268 268 A 46 THR HB A 48 GLN H 1.0 1.8 3.86 269 269 A 48 GLN H A 48 GLN HGx 1.0 1.8 5.32 270 270 A 26 THR H A 27 TRP H 1.0 1.8 5.03 271 271 A 26 THR H A 25 VAL H 1.0 1.8 4.86 272 272 A 26 THR H A 25 VAL HG1% 1.0 1.8 3.58 273 273 A 54 LYS H A 54 LYS HDx 1.0 1.8 5.22 274 274 A 54 LYS H A 30 LEU HD1% 1.0 1.8 4.15 275 275 A 54 LYS H A 30 LEU HD2% 1.0 1.8 4.59 276 276 A 13 ILE H A 14 VAL H 1.0 1.8 5.06 277 277 A 12 TYR H A 13 ILE H 1.0 1.8 5.03 278 278 A 13 ILE H A 12 TYR HDy 1.0 1.8 4.62 279 279 A 13 ILE H A 13 ILE HG1x 1.0 1.8 3.94 280 280 A 13 ILE H A 13 ILE HG2% 1.0 1.8 4.21 281 281 A 13 ILE H A 13 ILE HD1% 1.0 1.8 4.10 282 282 A 32 ALA H A 41 ILE H 1.0 1.8 5.76 283 283 A 31 ARG H A 32 ALA H 1.0 1.8 5.54 284 284 A 32 ALA H A 12 TYR HEx 1.0 1.8 5.70 285 285 A 32 ALA H A 40 LEU HA 1.0 1.8 5.60 286 286 A 11 ALA HB% A 32 ALA H 1.0 1.8 6.03 287 287 A 32 ALA H A 41 ILE HD1% 1.0 1.8 5.17 288 288 A 40 LEU H A 41 ILE H 1.0 1.8 5.32 289 289 A 40 LEU H A 39 SER H 1.0 1.8 5.27 290 290 A 40 LEU H A 40 LEU HD1% 1.0 1.8 5.15 291 291 A 16 ILE H A 27 TRP H 1.0 1.8 4.11 292 292 A 16 ILE H A 17 GLU H 1.0 1.8 4.88 293 293 A 16 ILE H A 28 TYR HA 1.0 1.8 4.46 294 294 A 16 ILE H A 27 TRP HBx 1.0 1.8 5.71 295 295 A 16 ILE H A 27 TRP HBy 1.0 1.8 5.26 296 296 A 16 ILE H A 29 GLN HGx 1.0 1.8 6.60 297 297 A 16 ILE H A 14 VAL HG1% 1.0 1.8 5.12 298 298 A 16 ILE H A 16 ILE HG1y 1.0 1.8 3.55 299 299 A 16 ILE H A 16 ILE HG2% 1.0 1.8 3.66 300 300 A 20 LYS H A 23 GLN H 1.0 1.8 5.97 301 301 A 24 THR H A 23 GLN H 1.0 1.8 3.81 302 302 A 23 GLN H A 24 THR HG2% 1.0 1.8 4.28 303 303 A 17 GLU HA A 25 VAL H 1.0 1.8 4.88 304 304 A 19 GLY HAy A 25 VAL H 1.0 1.8 5.97 305 305 A 18 LYS HBy A 25 VAL H 1.0 1.8 5.27 306 306 A 25 VAL H A 25 VAL HG2% 1.0 1.8 3.83 307 307 A 25 VAL H A 24 THR HG2% 1.0 1.8 4.35 308 308 A 25 VAL H A 25 VAL HG1% 1.0 1.8 4.73 309 309 A 28 TYR H A 27 TRP HE3 1.0 1.8 4.82 310 310 A 28 TYR H A 28 TYR HDy 1.0 1.8 3.77 311 311 A 28 TYR H A 45 PRO HA 1.0 1.8 5.02 312 312 A 28 TYR H A 50 ALA HB% 1.0 1.8 5.60 313 313 A 11 ALA H A 12 TYR H 1.0 1.8 5.03 314 314 A 12 TYR H A 31 ARG H 1.0 1.8 3.97 315 315 A 12 TYR H A 12 TYR HDx 1.0 1.8 4.05 316 316 A 12 TYR H A 12 TYR HEx 1.0 1.8 4.91 317 317 A 12 TYR H A 32 ALA HA 1.0 1.8 4.14 318 318 A 12 TYR H A 32 ALA HB% 1.0 1.8 4.30 319 319 A 12 TYR H A 14 VAL HG2% 1.0 1.8 6.28 320 320 A 12 TYR H A 30 LEU HG 1.0 1.8 6.60 321 321 A 12 TYR H A 30 LEU HD1% 1.0 1.8 4.19 322 322 A 18 LYS H A 25 VAL H 1.0 1.8 3.83 323 323 A 18 LYS H A 27 TRP HD1 1.0 1.8 4.35 324 324 A 18 LYS H A 24 THR HB 1.0 1.8 4.38 325 325 A 18 LYS H A 25 VAL HB 1.0 1.8 4.54 326 326 A 18 LYS H A 24 THR HG2% 1.0 1.8 4.40 327 327 A 18 LYS H A 16 ILE HD1% 1.0 1.8 5.42 328 328 A 11 ALA HA A 33 ASP H 1.0 1.8 5.76 329 329 A 31 ARG H A 12 TYR HDy 1.0 1.8 5.56 330 330 A 13 ILE HA A 31 ARG H 1.0 1.8 4.73 331 331 A 31 ARG H A 30 LEU HD1% 1.0 1.8 4.07 332 332 A 30 LEU H A 44 HIS H 1.0 1.8 5.46 333 333 A 28 TYR H A 44 HIS H 1.0 1.8 4.42 334 334 A 44 HIS H A 27 TRP HE3 1.0 1.8 4.50 335 335 A 29 GLN HA A 44 HIS H 1.0 1.8 4.68 336 336 A 44 HIS H A 45 PRO HA 1.0 1.8 6.36 337 337 A 28 TYR HBy A 44 HIS H 1.0 1.8 4.85 338 338 A 28 TYR HBx A 44 HIS H 1.0 1.8 5.70 339 339 A 44 HIS H A 43 GLU HGy 1.0 1.8 5.49 340 340 A 44 HIS H A 50 ALA HB% 1.0 1.8 5.01 341 341 A 14 VAL H A 29 GLN HBy 1.0 1.8 4.76 342 342 A 14 VAL H A 13 ILE HG1x 1.0 1.8 5.41 343 343 A 14 VAL H A 13 ILE HG1y 1.0 1.8 4.94 344 344 A 18 LYS H A 27 TRP H 1.0 1.8 5.06 345 345 A 27 TRP H A 28 TYR H 1.0 1.8 5.43 346 346 A 27 TRP H A 27 TRP HD1 1.0 1.8 4.64 347 347 A 17 GLU HA A 27 TRP H 1.0 1.8 4.07 348 348 A 15 THR HB A 27 TRP H 1.0 1.8 5.50 349 349 A 16 ILE HB A 27 TRP H 1.0 1.8 5.81 350 350 A 27 TRP H A 16 ILE HG1x 1.0 1.8 4.91 351 351 A 27 TRP H A 18 LYS HGx 1.0 1.8 5.92 352 352 A 27 TRP H A 16 ILE HG1y 1.0 1.8 4.04 353 353 A 30 LEU H A 31 ARG H 1.0 1.8 4.81 354 354 A 30 LEU H A 42 SER H 1.0 1.8 4.40 355 355 A 30 LEU H A 43 GLU HA 1.0 1.8 4.26 356 356 A 30 LEU H A 40 LEU HD1% 1.0 1.8 4.09 357 357 A 30 LEU H A 30 LEU HD2% 1.0 1.8 4.84 358 358 A 38 ASP H A 39 SER H 1.0 1.8 4.47 359 359 A 31 ARG HA A 41 ILE H 1.0 1.8 4.26 360 360 A 30 LEU HBx A 41 ILE H 1.0 1.8 5.61 361 361 A 41 ILE H A 41 ILE HG1y 1.0 1.8 4.77 362 362 A 11 ALA H A 58 GLU HGy 1.0 1.8 5.44 363 363 A 11 ALA H A 58 GLU HGx 1.0 1.8 5.44 364 364 A 11 ALA H A 10 GLU HGx 1.0 1.8 5.85 365 365 A 11 ALA H A 10 GLU HGy 1.0 1.8 5.85 366 366 A 11 ALA H A 32 ALA HB% 1.0 1.8 5.36 367 367 A 14 VAL H A 29 GLN H 1.0 1.8 4.02 368 368 A 28 TYR H A 29 GLN H 1.0 1.8 5.33 369 369 A 16 ILE H A 29 GLN H 1.0 1.8 5.58 370 370 A 15 THR H A 29 GLN H 1.0 1.8 5.50 371 371 A 29 GLN H A 28 TYR HDx 1.0 1.8 4.96 372 372 A 13 ILE HA A 29 GLN H 1.0 1.8 5.09 373 373 A 29 GLN H A 50 ALA HB% 1.0 1.8 5.54 374 374 A 29 GLN H A 14 VAL HG1% 1.0 1.8 5.50 375 375 A 29 GLN H A 14 VAL HG2% 1.0 1.8 5.87 376 376 A 29 GLN H A 16 ILE HG2% 1.0 1.8 4.68 377 377 A 27 TRP HBy A 27 TRP HE1 1.0 1.8 5.50 378 378 A 25 VAL HB A 27 TRP HE1 1.0 1.8 3.78 379 379 A 18 LYS HBy A 27 TRP HE1 1.0 1.8 4.39 380 380 A 25 VAL HG1% A 27 TRP HE1 1.0 1.8 3.90 381 381 A 63 GLU H A 63 GLU HBx 1.0 1.8 4.55 382 382 A 63 GLU H A 62 LYS HGx 1.0 1.8 6.25 383 383 A 63 GLU H A 62 LYS HGy 1.0 1.8 6.25 384 384 A 52 ASP H A 48 GLN HE2y 1.0 1.8 5.70 385 385 A 29 GLN HE2x A 16 ILE HG1x 1.0 1.8 6.51 386 386 A 29 GLN HE2x A 16 ILE HD1% 1.0 1.8 3.44 387 387 A 25 VAL HG2% A 27 TRP HE1 1.0 1.8 4.70 388 388 A 18 LYS HBx A 27 TRP HE1 1.0 1.8 5.16 389 389 A 29 GLN H A 29 GLN HGx 1.0 1.8 4.19 390 390 A 42 SER H A 40 LEU HD1% 1.0 1.8 3.72 391 391 A 52 ASP H A 48 GLN HE2x 1.0 1.8 5.83 392 392 A 14 VAL H A 30 LEU HA 1.0 1.8 4.46 393 393 A 9 ARG H A 10 GLU HA 1.0 1.8 5.48 394 394 A 64 LEU H A 63 GLU HA 1.0 1.8 3.92 395 395 A 9 ARG H A 9 ARG HGy 1.0 1.8 5.44 396 396 A 9 ARG H A 9 ARG HGx 1.0 1.8 5.44 397 397 A 63 GLU H A 63 GLU HGx 1.0 1.8 4.81 398 398 A 63 GLU H A 63 GLU HGy 1.0 1.8 4.81 399 399 A 63 GLU H A 63 GLU HBy 1.0 1.8 4.55 400 400 A 12 TYR H A 54 LYS HDy 1.0 1.8 5.83 401 401 A 43 GLU H A 43 GLU HGx 1.0 1.8 4.53 402 402 A 43 GLU H A 43 GLU HGy 1.0 1.8 4.98 403 403 A 43 GLU H A 44 HIS H 1.0 1.8 5.91 404 404 A 46 THR H A 47 ALA HB% 1.0 1.8 6.25 405 405 A 53 ALA H A 54 LYS HBy 1.0 1.8 5.75 406 406 A 53 ALA H A 54 LYS HBx 1.0 1.8 5.75 407 407 A 50 ALA HB% A 54 LYS H 1.0 1.8 5.74 408 408 A 34 HIS H A 35 PRO HA 1.0 1.8 5.63 409 409 A 16 ILE H A 16 ILE HB 1.0 1.8 4.37 410 410 A 18 LYS H A 18 LYS HGy 1.0 1.8 4.39 411 411 A 18 LYS H A 18 LYS HGx 1.0 1.8 3.97 412 412 A 24 THR H A 25 VAL H 1.0 1.8 5.10 413 413 A 23 GLN H A 24 THR HA 1.0 1.8 5.22 414 414 A 13 ILE H A 31 ARG H 1.0 1.8 6.60 415 415 A 30 LEU H A 30 LEU HBy 1.0 1.8 3.96 416 416 A 30 LEU H A 30 LEU HG 1.0 1.8 4.83 417 417 A 26 THR H A 26 THR HG2% 1.0 1.8 4.23 418 418 A 23 GLN HA A 23 GLN HE2y 1.0 1.8 4.20 419 419 A 23 GLN HA A 23 GLN HE2x 1.0 1.8 4.20 420 420 A 16 ILE H A 16 ILE HG1x 1.0 1.8 4.39 421 421 A 14 VAL H A 14 VAL HG2% 1.0 1.8 3.60 422 422 A 14 VAL H A 14 VAL HG1% 1.0 1.8 4.37 423 423 A 14 VAL H A 13 ILE HG2% 1.0 1.8 3.53 424 424 A 27 TRP H A 16 ILE HD1% 1.0 1.8 4.88 425 425 A 46 THR H A 49 GLU HBy 1.0 1.8 3.76 426 426 A 29 GLN HA A 42 SER H 1.0 1.8 5.36 427 427 A 31 ARG HA A 42 SER H 1.0 1.8 5.48 428 428 A 29 GLN HE2x A 43 GLU HGy 1.0 1.8 4.96 429 429 A 62 LYS H A 62 LYS HDx 1.0 1.8 6.60 430 430 A 62 LYS H A 62 LYS HDy 1.0 1.8 6.60 431 431 A 20 LYS H A 25 VAL HG2% 1.0 1.8 5.52 432 432 A 38 ASP H A 36 LYS H 1.0 1.8 5.64 433 433 A 23 GLN H A 21 PRO HA 1.0 1.8 5.47 434 434 A 50 ALA H A 52 ASP H 1.0 1.8 4.91 435 435 A 9 ARG H A 10 GLU H 1.0 1.8 5.13 436 436 A 17 GLU H A 17 GLU HBx 1.0 1.8 4.30 437 437 A 17 GLU H A 27 TRP H 1.0 1.8 5.72 438 438 A 50 ALA HB% A 53 ALA H 1.0 1.8 5.38 439 439 A 53 ALA H A 52 ASP HBy 1.0 1.8 4.35 440 440 A 53 ALA H A 52 ASP HBx 1.0 1.8 4.35 441 441 A 51 MET H A 53 ALA H 1.0 1.8 4.73 442 442 A 53 ALA H A 55 LYS H 1.0 1.8 4.76 443 443 A 50 ALA H A 53 ALA H 1.0 1.8 6.05 444 444 A 54 LYS H A 13 ILE HD1% 1.0 1.8 5.29 445 445 A 26 THR H A 25 VAL HG2% 1.0 1.8 4.68 446 446 A 13 ILE HA A 30 LEU H 1.0 1.8 5.46 447 447 A 27 TRP H A 25 VAL HG1% 1.0 1.8 5.21 448 448 A 29 GLN H A 15 THR HG2% 1.0 1.8 5.17 449 449 A 29 GLN H A 13 ILE HG2% 1.0 1.8 4.07 450 450 A 29 GLN H A 30 LEU H 1.0 1.8 4.84 451 451 A 44 HIS H A 43 GLU HGx 1.0 1.8 5.29 452 452 A 44 HIS H A 28 TYR HDy 1.0 1.8 5.14 453 453 A 44 HIS H A 27 TRP HZ3 1.0 1.8 5.61 454 454 A 29 GLN H A 44 HIS H 1.0 1.8 6.12 455 455 A 15 THR H A 15 THR HG2% 1.0 1.8 3.51 456 456 A 39 SER H A 39 SER HBx 1.0 1.8 4.32 457 457 A 36 LYS H A 39 SER H 1.0 1.8 5.28 458 458 A 12 TYR H A 13 ILE HA 1.0 1.8 5.21 459 459 A 32 ALA H A 39 SER H 1.0 1.8 4.50 460 460 A 39 SER H A 39 SER HBy 1.0 1.8 4.32 461 461 A 47 ALA HB% A 48 GLN H 1.0 1.8 3.50 462 462 A 7 TYR H A 6 PRO HBx 1.0 1.8 5.14 463 463 A 7 TYR H A 6 PRO HBy 1.0 1.8 5.14 464 464 A 7 TYR H A 6 PRO HDy 1.0 1.8 6.08 465 465 A 7 TYR H A 6 PRO HDx 1.0 1.8 6.08 466 466 A 7 TYR H A 7 TYR HDx 1.0 1.8 6.03 467 467 A 7 TYR H A 7 TYR HDy 1.0 1.8 6.45 468 468 A 39 SER H A 33 ASP HA 1.0 1.8 5.93 469 469 A 46 THR HB A 49 GLU H 1.0 1.8 4.31 470 470 A 30 LEU H A 50 ALA HB% 1.0 1.8 5.09 471 471 A 30 LEU H A 40 LEU HG 1.0 1.8 6.60 472 472 A 3 THR HA A 3 THR HG2% 1.0 1.8 4.63 473 473 A 4 LYS HA A 5 PRO HDy 1.0 1.8 3.56 474 474 A 12 TYR HA A 54 LYS HDy 1.0 1.8 4.68 475 475 A 12 TYR HA A 13 ILE HG1x 1.0 1.8 5.27 476 476 A 12 TYR HA A 54 LYS HDx 1.0 1.8 5.73 477 477 A 11 ALA HB% A 12 TYR HA 1.0 1.8 5.41 478 478 A 12 TYR HA A 13 ILE HD1% 1.0 1.8 5.25 479 479 A 12 TYR HA A 30 LEU HD1% 1.0 1.8 5.10 480 480 A 13 ILE HA A 30 LEU HA 1.0 1.8 4.21 481 481 A 13 ILE HA A 14 VAL HB 1.0 1.8 5.40 482 482 A 13 ILE HA A 13 ILE HG1x 1.0 1.8 4.35 483 483 A 13 ILE HA A 50 ALA HB% 1.0 1.8 5.16 484 484 A 13 ILE HA A 13 ILE HG2% 1.0 1.8 3.76 485 485 A 13 ILE HA A 13 ILE HG1y 1.0 1.8 3.79 486 486 A 14 VAL H A 15 THR HA 1.0 1.8 5.96 487 487 A 15 THR HA A 27 TRP H 1.0 1.8 6.17 488 488 A 15 THR HA A 28 TYR HA 1.0 1.8 3.78 489 489 A 15 THR HA A 15 THR HG2% 1.0 1.8 3.50 490 490 A 16 ILE HA A 17 GLU HA 1.0 1.8 5.62 491 491 A 16 ILE HA A 16 ILE HG1x 1.0 1.8 4.15 492 492 A 16 ILE HA A 16 ILE HG1y 1.0 1.8 4.37 493 493 A 16 ILE HA A 16 ILE HG2% 1.0 1.8 3.58 494 494 A 17 GLU HA A 24 THR HB 1.0 1.8 4.89 495 495 A 17 GLU HA A 17 GLU HGy 1.0 1.8 4.59 496 496 A 17 GLU HA A 17 GLU HGx 1.0 1.8 4.59 497 497 A 17 GLU HA A 16 ILE HG1y 1.0 1.8 5.59 498 498 A 18 LYS HGy A 18 LYS HA 1.0 1.8 3.85 499 499 A 20 LYS HA A 21 PRO HDy 1.0 1.8 3.52 500 500 A 20 LYS HA A 21 PRO HGx 1.0 1.8 5.69 501 501 A 20 LYS HA A 20 LYS HGx 1.0 1.8 4.64 502 502 A 20 LYS HA A 20 LYS HGy 1.0 1.8 4.64 503 503 A 24 THR HG2% A 20 LYS HA 1.0 1.8 5.33 504 504 A 24 THR HG2% A 21 PRO HA 1.0 1.8 3.87 505 505 A 18 LYS H A 24 THR HA 1.0 1.8 4.93 506 506 A 20 LYS H A 24 THR HA 1.0 1.8 4.98 507 507 A 24 THR HA A 25 VAL HB 1.0 1.8 5.46 508 508 A 24 THR HA A 25 VAL HG2% 1.0 1.8 4.76 509 509 A 24 THR HA A 24 THR HG2% 1.0 1.8 3.41 510 510 A 25 VAL HA A 24 THR HA 1.0 1.8 5.46 511 511 A 25 VAL HA A 26 THR HA 1.0 1.8 5.85 512 512 A 25 VAL HA A 25 VAL HG2% 1.0 1.8 3.52 513 513 A 25 VAL HA A 25 VAL HG1% 1.0 1.8 3.49 514 514 A 18 LYS H A 26 THR HA 1.0 1.8 5.05 515 515 A 17 GLU HA A 26 THR HA 1.0 1.8 3.88 516 516 A 26 THR HA A 26 THR HG2% 1.0 1.8 3.62 517 517 A 27 TRP HA A 27 TRP HE3 1.0 1.8 4.93 518 518 A 27 TRP HA A 26 THR HG2% 1.0 1.8 5.14 519 519 A 28 TYR HA A 47 ALA HB% 1.0 1.8 6.46 520 520 A 29 GLN HA A 43 GLU HA 1.0 1.8 3.86 521 521 A 29 GLN HA A 29 GLN HGx 1.0 1.8 4.05 522 522 A 29 GLN HA A 43 GLU HBy 1.0 1.8 5.14 523 523 A 29 GLN HA A 30 LEU HBy 1.0 1.8 5.30 524 524 A 29 GLN HA A 40 LEU HD1% 1.0 1.8 4.50 525 525 A 29 GLN HBy A 30 LEU HA 1.0 1.8 5.81 526 526 A 49 GLU HBx A 44 HIS HA 1.0 1.8 5.98 527 527 A 31 ARG HA A 41 ILE HG1y 1.0 1.8 5.14 528 528 A 31 ARG HA A 40 LEU HD1% 1.0 1.8 4.75 529 529 A 11 ALA HA A 32 ALA HA 1.0 1.8 4.15 530 530 A 11 ALA HB% A 32 ALA HA 1.0 1.8 4.99 531 531 A 34 HIS HA A 35 PRO HA 1.0 1.8 3.70 532 532 A 37 PRO HA A 39 SER H 1.0 1.8 5.44 533 533 A 37 PRO HA A 33 ASP HA 1.0 1.8 3.69 534 534 A 37 PRO HA A 38 ASP HA 1.0 1.8 5.29 535 535 A 39 SER HA A 40 LEU HBy 1.0 1.8 5.29 536 536 A 39 SER HA A 40 LEU HBx 1.0 1.8 5.29 537 537 A 31 ARG HA A 40 LEU HA 1.0 1.8 4.26 538 538 A 64 LEU HG A 64 LEU HA 1.0 1.8 4.36 539 539 A 40 LEU HA A 40 LEU HD1% 1.0 1.8 3.54 540 540 A 42 SER HA A 40 LEU HD1% 1.0 1.8 5.05 541 541 A 42 SER HA A 40 LEU HD2% 1.0 1.8 5.49 542 542 A 43 GLU HA A 40 LEU HD1% 1.0 1.8 4.93 543 543 A 44 HIS HA A 27 TRP HE3 1.0 1.8 5.52 544 544 A 44 HIS HA A 27 TRP HZ3 1.0 1.8 5.05 545 545 A 44 HIS HA A 45 PRO HDy 1.0 1.8 3.78 546 546 A 44 HIS HA A 45 PRO HDx 1.0 1.8 3.78 547 547 A 27 TRP HE3 A 45 PRO HA 1.0 1.8 4.87 548 548 A 27 TRP HA A 45 PRO HA 1.0 1.8 4.73 549 549 A 46 THR HA A 28 TYR HEy 1.0 1.8 3.92 550 550 A 46 THR HA A 47 ALA HA 1.0 1.8 5.36 551 551 A 46 THR HA A 46 THR HG2% 1.0 1.8 3.59 552 552 A 46 THR HA A 47 ALA HB% 1.0 1.8 4.54 553 553 A 51 MET H A 47 ALA HA 1.0 1.8 4.76 554 554 A 47 ALA HA A 28 TYR HDx 1.0 1.8 4.85 555 555 A 28 TYR HBx A 47 ALA HA 1.0 1.8 5.15 556 556 A 48 GLN HA A 48 GLN HGx 1.0 1.8 4.57 557 557 A 47 ALA HB% A 48 GLN HA 1.0 1.8 4.93 558 558 A 49 GLU HA A 48 GLN HE2y 1.0 1.8 5.41 559 559 A 49 GLU HA A 53 ALA H 1.0 1.8 6.21 560 560 A 51 MET HA A 55 LYS H 1.0 1.8 5.09 561 561 A 51 MET HA A 51 MET HGx 1.0 1.8 4.48 562 562 A 51 MET HA A 54 LYS HBy 1.0 1.8 4.05 563 563 A 51 MET HA A 54 LYS HBx 1.0 1.8 4.05 564 564 A 51 MET HA A 54 LYS HDx 1.0 1.8 5.04 565 565 A 50 ALA HB% A 51 MET HA 1.0 1.8 4.82 566 566 A 51 MET HA A 13 ILE HD1% 1.0 1.8 3.59 567 567 A 51 MET HA A 52 ASP HA 1.0 1.8 5.87 568 568 A 52 ASP HA A 53 ALA HA 1.0 1.8 6.26 569 569 A 52 ASP HA A 55 LYS HDx 1.0 1.8 6.00 570 570 A 52 ASP HA A 55 LYS HDy 1.0 1.8 6.00 571 571 A 53 ALA HA A 30 LEU HD2% 1.0 1.8 5.12 572 572 A 57 TYR H A 54 LYS HA 1.0 1.8 4.55 573 573 A 54 LYS HA A 57 TYR HDy 1.0 1.8 5.13 574 574 A 51 MET HA A 54 LYS HA 1.0 1.8 6.18 575 575 A 53 ALA HA A 54 LYS HA 1.0 1.8 6.51 576 576 A 57 TYR HBy A 54 LYS HA 1.0 1.8 4.51 577 577 A 57 TYR HBx A 54 LYS HA 1.0 1.8 4.35 578 578 A 54 LYS HA A 54 LYS HDx 1.0 1.8 4.95 579 579 A 54 LYS HA A 54 LYS HGx 1.0 1.8 4.38 580 580 A 30 LEU HD1% A 54 LYS HA 1.0 1.8 3.55 581 581 A 30 LEU HD2% A 54 LYS HA 1.0 1.8 3.76 582 582 A 55 LYS HA A 55 LYS HDx 1.0 1.8 6.07 583 583 A 55 LYS HA A 55 LYS HDy 1.0 1.8 6.07 584 584 A 55 LYS HA A 55 LYS HGy 1.0 1.8 4.49 585 585 A 55 LYS HA A 55 LYS HGx 1.0 1.8 4.49 586 586 A 56 ARG HA A 59 ASP HBy 1.0 1.8 4.96 587 587 A 56 ARG HA A 59 ASP HBx 1.0 1.8 4.96 588 588 A 56 ARG HA A 56 ARG HGy 1.0 1.8 3.97 589 589 A 56 ARG HA A 56 ARG HGx 1.0 1.8 3.97 590 590 A 57 TYR HDy A 58 GLU HA 1.0 1.8 5.07 591 591 A 58 GLU HA A 58 GLU HGy 1.0 1.8 4.49 592 592 A 58 GLU HA A 58 GLU HGx 1.0 1.8 4.49 593 593 A 62 LYS HA A 62 LYS HEx 1.0 1.8 6.60 594 594 A 62 LYS HA A 62 LYS HEy 1.0 1.8 6.60 595 595 A 63 GLU HA A 63 GLU HGx 1.0 1.8 4.44 596 596 A 62 LYS HA A 62 LYS HDx 1.0 1.8 5.64 597 597 A 62 LYS HA A 62 LYS HDy 1.0 1.8 5.64 598 598 A 19 GLY HAx A 25 VAL H 1.0 1.8 4.98 599 599 A 19 GLY HAx A 20 LYS HA 1.0 1.8 5.31 600 600 A 18 LYS HBy A 19 GLY HAx 1.0 1.8 5.82 601 601 A 19 GLY HAx A 20 LYS HBy 1.0 1.8 6.16 602 602 A 19 GLY HAx A 24 THR HG2% 1.0 1.8 4.88 603 603 A 23 GLN HGx A 22 GLY HAy 1.0 1.8 5.35 604 604 A 19 GLY HAy A 20 LYS HA 1.0 1.8 5.27 605 605 A 18 LYS HBy A 19 GLY HAy 1.0 1.8 6.45 606 606 A 19 GLY HAy A 20 LYS HBy 1.0 1.8 6.60 607 607 A 19 GLY HAy A 24 THR HG2% 1.0 1.8 5.92 608 608 A 23 GLN HGx A 22 GLY HAx 1.0 1.8 5.35 609 609 A 11 ALA HB% A 31 ARG H 1.0 1.8 5.13 610 610 A 10 GLU HA A 11 ALA HB% 1.0 1.8 5.30 611 611 A 11 ALA HB% A 54 LYS HA 1.0 1.8 5.19 612 612 A 11 ALA HB% A 32 ALA HB% 1.0 1.8 3.95 613 613 A 11 ALA HB% A 30 LEU HD2% 1.0 1.8 4.66 614 614 A 12 TYR HA A 13 ILE HB 1.0 1.8 5.26 615 615 A 15 THR H A 14 VAL HB 1.0 1.8 4.35 616 616 A 15 THR HB A 28 TYR HA 1.0 1.8 5.50 617 617 A 24 THR HB A 17 GLU HGy 1.0 1.8 5.87 618 618 A 24 THR HB A 17 GLU HGx 1.0 1.8 5.87 619 619 A 24 THR HB A 25 VAL HB 1.0 1.8 6.37 620 620 A 24 THR HB A 17 GLU HBy 1.0 1.8 4.55 621 621 A 24 THR HB A 17 GLU HBx 1.0 1.8 4.55 622 622 A 26 THR H A 25 VAL HB 1.0 1.8 4.94 623 623 A 19 GLY HAx A 25 VAL HB 1.0 1.8 5.64 624 624 A 18 LYS HBy A 25 VAL HB 1.0 1.8 4.72 625 625 A 25 VAL HA A 26 THR HB 1.0 1.8 5.20 626 626 A 11 ALA HA A 32 ALA HB% 1.0 1.8 4.19 627 627 A 32 ALA HB% A 39 SER HBy 1.0 1.8 5.58 628 628 A 32 ALA HB% A 41 ILE HG1x 1.0 1.8 4.86 629 629 A 32 ALA HB% A 41 ILE HD1% 1.0 1.8 3.60 630 630 A 46 THR HB A 48 GLN HBy 1.0 1.8 5.46 631 631 A 46 THR HB A 48 GLN HBx 1.0 1.8 5.24 632 632 A 47 ALA HB% A 50 ALA H 1.0 1.8 5.12 633 633 A 47 ALA HB% A 28 TYR HEx 1.0 1.8 4.04 634 634 A 14 VAL HA A 13 ILE HG2% 1.0 1.8 4.95 635 635 A 28 TYR HA A 13 ILE HG2% 1.0 1.8 5.15 636 636 A 46 THR HB A 47 ALA HB% 1.0 1.8 4.99 637 637 A 28 TYR HBx A 13 ILE HG2% 1.0 1.8 4.10 638 638 A 47 ALA HB% A 51 MET HBy 1.0 1.8 5.14 639 639 A 13 ILE HG1x A 13 ILE HG2% 1.0 1.8 4.04 640 640 A 13 ILE HG2% A 13 ILE HG1y 1.0 1.8 3.29 641 641 A 46 THR H A 50 ALA HB% 1.0 1.8 5.16 642 642 A 28 TYR HA A 50 ALA HB% 1.0 1.8 5.36 643 643 A 50 ALA HB% A 44 HIS HBy 1.0 1.8 4.80 644 644 A 50 ALA HB% A 47 ALA HA 1.0 1.8 3.73 645 645 A 28 TYR HBy A 50 ALA HB% 1.0 1.8 3.85 646 646 A 28 TYR HBx A 50 ALA HB% 1.0 1.8 3.81 647 647 A 13 ILE HB A 50 ALA HB% 1.0 1.8 5.61 648 648 A 50 ALA HB% A 13 ILE HG1x 1.0 1.8 4.68 649 649 A 50 ALA HB% A 13 ILE HG2% 1.0 1.8 3.56 650 650 A 50 ALA HB% A 13 ILE HG1y 1.0 1.8 3.76 651 651 A 53 ALA HB% A 50 ALA HA 1.0 1.8 3.75 652 652 A 37 PRO HBy A 33 ASP HA 1.0 1.8 5.86 653 653 A 13 ILE H A 54 LYS HDy 1.0 1.8 5.58 654 654 A 24 THR HG2% A 17 GLU HBx 1.0 1.8 4.26 655 655 A 13 ILE HG1y A 54 LYS HDy 1.0 1.8 5.49 656 656 A 13 ILE HD1% A 54 LYS HDy 1.0 1.8 5.68 657 657 A 37 PRO HBy A 38 ASP HA 1.0 1.8 4.92 658 658 A 29 GLN HBy A 16 ILE HG2% 1.0 1.8 4.68 659 659 A 29 GLN HBy A 40 LEU HD1% 1.0 1.8 4.95 660 660 A 27 TRP HBx A 27 TRP HE3 1.0 1.8 4.41 661 661 A 27 TRP HBx A 16 ILE HD1% 1.0 1.8 4.66 662 662 A 28 TYR HBy A 13 ILE HG2% 1.0 1.8 4.62 663 663 A 30 LEU HBx A 41 ILE HB 1.0 1.8 4.61 664 664 A 30 LEU HBx A 53 ALA HB% 1.0 1.8 5.08 665 665 A 12 TYR HEx A 33 ASP HBy 1.0 1.8 5.62 666 666 A 12 TYR HBy A 12 TYR HEy 1.0 1.8 5.96 667 667 A 37 PRO HDx A 36 LYS HBy 1.0 1.8 4.30 668 668 A 32 ALA H A 39 SER HBy 1.0 1.8 5.16 669 669 A 40 LEU HD1% A 43 GLU HBx 1.0 1.8 5.93 670 670 A 40 LEU HD2% A 43 GLU HBx 1.0 1.8 6.60 671 671 A 49 GLU H A 48 GLN HBy 1.0 1.8 5.07 672 672 A 46 THR HB A 49 GLU HBy 1.0 1.8 5.02 673 673 A 49 GLU HA A 52 ASP HBy 1.0 1.8 4.30 674 674 A 56 ARG H A 55 LYS HBx 1.0 1.8 4.96 675 675 A 56 ARG H A 55 LYS HBy 1.0 1.8 4.96 676 676 A 11 ALA HB% A 57 TYR HBy 1.0 1.8 5.73 677 677 A 53 ALA HB% A 57 TYR HBy 1.0 1.8 6.18 678 678 A 18 LYS HBy A 18 LYS HDx 1.0 1.8 4.48 679 679 A 20 LYS HBy A 21 PRO HDx 1.0 1.8 5.26 680 680 A 20 LYS HBy A 21 PRO HDy 1.0 1.8 4.84 681 681 A 28 TYR H A 27 TRP HBy 1.0 1.8 4.89 682 682 A 27 TRP HBy A 16 ILE HD1% 1.0 1.8 4.27 683 683 A 29 GLN HBx A 14 VAL HG2% 1.0 1.8 5.21 684 684 A 42 SER H A 30 LEU HBy 1.0 1.8 5.25 685 685 A 41 ILE HB A 30 LEU HBy 1.0 1.8 5.14 686 686 A 53 ALA HB% A 30 LEU HBy 1.0 1.8 4.93 687 687 A 14 VAL HG2% A 31 ARG HBx 1.0 1.8 5.26 688 688 A 49 GLU HA A 52 ASP HBx 1.0 1.8 4.30 689 689 A 27 TRP HE3 A 43 GLU HBy 1.0 1.8 4.85 690 690 A 40 LEU HD1% A 43 GLU HBy 1.0 1.8 5.93 691 691 A 40 LEU HD2% A 43 GLU HBy 1.0 1.8 6.60 692 692 A 32 ALA H A 39 SER HBx 1.0 1.8 5.16 693 693 A 50 ALA HB% A 44 HIS HBx 1.0 1.8 4.80 694 694 A 46 THR HG2% A 45 PRO HBx 1.0 1.8 5.12 695 695 A 48 GLN HBx A 48 GLN HE2y 1.0 1.8 4.95 696 696 A 56 ARG H A 56 ARG HGy 1.0 1.8 5.53 697 697 A 48 GLN HBx A 49 GLU HA 1.0 1.8 4.98 698 698 A 49 GLU H A 49 GLU HBx 1.0 1.8 4.10 699 699 A 46 THR H A 49 GLU HBx 1.0 1.8 4.97 700 700 A 11 ALA HB% A 57 TYR HBx 1.0 1.8 5.37 701 701 A 40 LEU H A 40 LEU HG 1.0 1.8 5.30 702 702 A 14 VAL HG1% A 12 TYR HEy 1.0 1.8 4.83 703 703 A 31 ARG HE A 14 VAL HG1% 1.0 1.8 5.44 704 704 A 14 VAL HA A 14 VAL HG1% 1.0 1.8 3.84 705 705 A 14 VAL HG1% A 31 ARG HDy 1.0 1.8 5.48 706 706 A 14 VAL HG1% A 31 ARG HDx 1.0 1.8 5.48 707 707 A 14 VAL HA A 14 VAL HG2% 1.0 1.8 4.05 708 708 A 14 VAL HG2% A 31 ARG HDy 1.0 1.8 4.13 709 709 A 27 TRP HBy A 16 ILE HG1x 1.0 1.8 4.75 710 710 A 32 ALA HB% A 41 ILE HG1y 1.0 1.8 4.86 711 711 A 13 ILE H A 13 ILE HG1y 1.0 1.8 5.01 712 712 A 17 GLU H A 16 ILE HG1y 1.0 1.8 4.84 713 713 A 16 ILE HG2% A 16 ILE HG1y 1.0 1.8 3.54 714 714 A 41 ILE H A 41 ILE HG1x 1.0 1.8 4.77 715 715 A 31 ARG HA A 41 ILE HG1x 1.0 1.8 5.14 716 716 A 16 ILE H A 15 THR HG2% 1.0 1.8 4.88 717 717 A 14 VAL HA A 15 THR HG2% 1.0 1.8 4.43 718 718 A 28 TYR HA A 15 THR HG2% 1.0 1.8 4.74 719 719 A 27 TRP H A 16 ILE HG2% 1.0 1.8 5.44 720 720 A 29 GLN HE2y A 16 ILE HG2% 1.0 1.8 4.74 721 721 A 29 GLN HE2x A 16 ILE HG2% 1.0 1.8 4.74 722 722 A 27 TRP HBx A 16 ILE HG2% 1.0 1.8 5.15 723 723 A 27 TRP HBy A 16 ILE HG2% 1.0 1.8 5.06 724 724 A 29 GLN HGx A 16 ILE HG2% 1.0 1.8 4.15 725 725 A 16 ILE HG1x A 16 ILE HG2% 1.0 1.8 3.92 726 726 A 16 ILE HG2% A 14 VAL HG1% 1.0 1.8 3.64 727 727 A 27 TRP H A 26 THR HG2% 1.0 1.8 4.03 728 728 A 16 ILE H A 26 THR HG2% 1.0 1.8 4.51 729 729 A 15 THR HA A 26 THR HG2% 1.0 1.8 4.39 730 730 A 15 THR HB A 26 THR HG2% 1.0 1.8 3.74 731 731 A 41 ILE H A 41 ILE HG2% 1.0 1.8 4.72 732 732 A 41 ILE HG2% A 57 TYR HEx 1.0 1.8 4.92 733 733 A 41 ILE HG2% A 41 ILE HA 1.0 1.8 3.53 734 734 A 30 LEU HBx A 41 ILE HG2% 1.0 1.8 4.76 735 735 A 53 ALA HB% A 41 ILE HG2% 1.0 1.8 4.42 736 736 A 46 THR HG2% A 45 PRO HA 1.0 1.8 5.17 737 737 A 45 PRO HBy A 46 THR HG2% 1.0 1.8 4.26 738 738 A 20 LYS H A 20 LYS HGx 1.0 1.8 4.93 739 739 A 20 LYS H A 20 LYS HGy 1.0 1.8 4.93 740 740 A 19 GLY HAy A 20 LYS HGx 1.0 1.8 6.60 741 741 A 19 GLY HAy A 20 LYS HGy 1.0 1.8 6.60 742 742 A 21 PRO HDy A 20 LYS HGx 1.0 1.8 5.89 743 743 A 21 PRO HDy A 20 LYS HGy 1.0 1.8 5.89 744 744 A 59 ASP HA A 60 PRO HGx 1.0 1.8 6.24 745 745 A 59 ASP HA A 60 PRO HGy 1.0 1.8 6.24 746 746 A 44 HIS HA A 45 PRO HGy 1.0 1.8 5.15 747 747 A 45 PRO HGy A 46 THR HG2% 1.0 1.8 4.51 748 748 A 10 GLU H A 10 GLU HGx 1.0 1.8 6.04 749 749 A 10 GLU H A 10 GLU HGy 1.0 1.8 6.04 750 750 A 27 TRP HD1 A 18 LYS HGy 1.0 1.8 5.58 751 751 A 20 LYS HA A 21 PRO HGy 1.0 1.8 5.69 752 752 A 23 GLN HA A 23 GLN HGx 1.0 1.8 3.81 753 753 A 23 GLN HGx A 20 LYS HBy 1.0 1.8 5.43 754 754 A 20 LYS HBy A 23 GLN HGy 1.0 1.8 5.97 755 755 A 29 GLN HGx A 16 ILE HD1% 1.0 1.8 4.22 756 756 A 43 GLU HA A 29 GLN HGx 1.0 1.8 5.26 757 757 A 14 VAL HG2% A 31 ARG HGy 1.0 1.8 5.06 758 758 A 40 LEU HD1% A 31 ARG HGy 1.0 1.8 5.07 759 759 A 36 LYS H A 36 LYS HGx 1.0 1.8 5.57 760 760 A 36 LYS H A 36 LYS HGy 1.0 1.8 5.57 761 761 A 27 TRP HE3 A 43 GLU HGx 1.0 1.8 6.23 762 762 A 40 LEU HD1% A 43 GLU HGx 1.0 1.8 4.00 763 763 A 46 THR H A 45 PRO HGx 1.0 1.8 5.03 764 764 A 46 THR HG2% A 45 PRO HGx 1.0 1.8 5.25 765 765 A 48 GLN H A 48 GLN HGy 1.0 1.8 5.32 766 766 A 48 GLN HA A 48 GLN HGy 1.0 1.8 4.57 767 767 A 46 THR HG2% A 49 GLU HGx 1.0 1.8 5.81 768 768 A 46 THR HG2% A 49 GLU HGy 1.0 1.8 5.81 769 769 A 51 MET HA A 51 MET HGy 1.0 1.8 4.48 770 770 A 13 ILE HD1% A 51 MET HGy 1.0 1.8 4.33 771 771 A 56 ARG H A 56 ARG HGx 1.0 1.8 5.53 772 772 A 10 GLU HA A 58 GLU HGy 1.0 1.8 5.60 773 773 A 62 LYS H A 62 LYS HGx 1.0 1.8 5.89 774 774 A 62 LYS H A 62 LYS HGy 1.0 1.8 5.89 775 775 A 17 GLU H A 17 GLU HGy 1.0 1.8 4.37 776 776 A 18 LYS HGx A 18 LYS HA 1.0 1.8 4.59 777 777 A 29 GLN H A 29 GLN HGy 1.0 1.8 4.95 778 778 A 14 VAL HG2% A 31 ARG HGx 1.0 1.8 5.06 779 779 A 40 LEU HD1% A 31 ARG HGx 1.0 1.8 5.07 780 780 A 27 TRP HE3 A 43 GLU HGy 1.0 1.8 5.08 781 781 A 40 LEU HD1% A 43 GLU HGy 1.0 1.8 4.11 782 782 A 40 LEU HD2% A 43 GLU HGy 1.0 1.8 4.65 783 783 A 10 GLU HA A 58 GLU HGx 1.0 1.8 5.60 784 784 A 63 GLU HA A 63 GLU HGy 1.0 1.8 4.44 785 785 A 13 ILE HA A 13 ILE HD1% 1.0 1.8 4.39 786 786 A 47 ALA HA A 13 ILE HD1% 1.0 1.8 5.12 787 787 A 13 ILE HD1% A 51 MET HGx 1.0 1.8 4.33 788 788 A 51 MET HBy A 13 ILE HD1% 1.0 1.8 4.35 789 789 A 13 ILE HB A 13 ILE HD1% 1.0 1.8 3.33 790 790 A 50 ALA HB% A 13 ILE HD1% 1.0 1.8 3.51 791 791 A 13 ILE HD1% A 13 ILE HG2% 1.0 1.8 3.16 792 792 A 16 ILE H A 16 ILE HD1% 1.0 1.8 5.05 793 793 A 16 ILE HA A 16 ILE HD1% 1.0 1.8 4.66 794 794 A 18 LYS HGx A 16 ILE HD1% 1.0 1.8 4.07 795 795 A 11 ALA HA A 30 LEU HD1% 1.0 1.8 5.21 796 796 A 30 LEU HA A 30 LEU HD1% 1.0 1.8 3.61 797 797 A 57 TYR HBy A 30 LEU HD1% 1.0 1.8 6.23 798 798 A 30 LEU HBx A 30 LEU HD1% 1.0 1.8 4.37 799 799 A 30 LEU HD1% A 54 LYS HBy 1.0 1.8 4.36 800 800 A 30 LEU HD1% A 54 LYS HBx 1.0 1.8 4.36 801 801 A 30 LEU HD1% A 13 ILE HG1x 1.0 1.8 4.37 802 802 A 30 LEU HD1% A 54 LYS HDx 1.0 1.8 4.68 803 803 A 11 ALA HB% A 30 LEU HD1% 1.0 1.8 3.38 804 804 A 30 LEU HD1% A 30 LEU HBy 1.0 1.8 3.90 805 805 A 41 ILE H A 40 LEU HD2% 1.0 1.8 5.22 806 806 A 40 LEU H A 40 LEU HD2% 1.0 1.8 4.83 807 807 A 29 GLN HE2y A 40 LEU HD2% 1.0 1.8 4.83 808 808 A 29 GLN HE2x A 40 LEU HD2% 1.0 1.8 4.83 809 809 A 40 LEU HA A 40 LEU HD2% 1.0 1.8 5.09 810 810 A 40 LEU HD2% A 43 GLU HGx 1.0 1.8 4.36 811 811 A 40 LEU HD2% A 40 LEU HBy 1.0 1.8 3.61 812 812 A 40 LEU HD2% A 40 LEU HBx 1.0 1.8 3.61 813 813 A 41 ILE H A 41 ILE HD1% 1.0 1.8 4.81 814 814 A 40 LEU H A 41 ILE HD1% 1.0 1.8 6.12 815 815 A 42 SER H A 41 ILE HD1% 1.0 1.8 5.38 816 816 A 31 ARG HA A 41 ILE HD1% 1.0 1.8 4.94 817 817 A 41 ILE HD1% A 41 ILE HA 1.0 1.8 3.87 818 818 A 41 ILE HB A 41 ILE HD1% 1.0 1.8 4.26 819 819 A 11 ALA HB% A 41 ILE HD1% 1.0 1.8 5.03 820 820 A 41 ILE HG2% A 41 ILE HD1% 1.0 1.8 3.37 821 821 A 41 ILE H A 30 LEU HD2% 1.0 1.8 5.93 822 822 A 30 LEU HD2% A 57 TYR HDx 1.0 1.8 5.92 823 823 A 30 LEU HD2% A 57 TYR HDy 1.0 1.8 6.53 824 824 A 30 LEU HA A 30 LEU HD2% 1.0 1.8 4.62 825 825 A 57 TYR HBx A 30 LEU HD2% 1.0 1.8 4.39 826 826 A 30 LEU HBx A 30 LEU HD2% 1.0 1.8 3.71 827 827 A 30 LEU HD2% A 54 LYS HBx 1.0 1.8 5.47 828 828 A 53 ALA HB% A 30 LEU HD2% 1.0 1.8 3.32 829 829 A 30 LEU HD2% A 30 LEU HBy 1.0 1.8 3.93 830 830 A 41 ILE H A 40 LEU HD1% 1.0 1.8 3.77 831 831 A 29 GLN HE2y A 40 LEU HD1% 1.0 1.8 4.85 832 832 A 29 GLN HE2x A 40 LEU HD1% 1.0 1.8 4.85 833 833 A 29 GLN HBx A 40 LEU HD1% 1.0 1.8 3.63 834 834 A 20 LYS HBx A 21 PRO HDy 1.0 1.8 3.26 835 835 A 37 PRO HDx A 36 LYS HBx 1.0 1.8 4.30 836 836 A 37 PRO HDx A 36 LYS HGx 1.0 1.8 5.47 837 837 A 37 PRO HDx A 36 LYS HGy 1.0 1.8 5.47 838 838 A 20 LYS HA A 21 PRO HDx 1.0 1.8 3.33 839 839 A 40 LEU HD1% A 31 ARG HDy 1.0 1.8 5.19 840 840 A 27 TRP HZ3 A 45 PRO HDy 1.0 1.8 5.35 841 841 A 59 ASP H A 60 PRO HDy 1.0 1.8 6.19 842 842 A 59 ASP H A 60 PRO HDx 1.0 1.8 6.19 843 843 A 27 TRP HZ3 A 45 PRO HDx 1.0 1.8 5.35 844 844 A 18 LYS HBx A 18 LYS HDx 1.0 1.8 4.44 845 845 A 14 VAL HG2% A 31 ARG HDx 1.0 1.8 4.13 846 846 A 40 LEU HD1% A 31 ARG HDx 1.0 1.8 5.19 847 847 A 13 ILE H A 54 LYS HDx 1.0 1.8 5.65 848 848 A 13 ILE HD1% A 54 LYS HDx 1.0 1.8 4.30 849 849 A 56 ARG HA A 56 ARG HDx 1.0 1.8 5.41 850 850 A 16 ILE HD1% A 18 LYS HEx 1.0 1.8 4.05 851 851 A 12 TYR HA A 54 LYS HEy 1.0 1.8 4.93 852 852 A 11 ALA HB% A 54 LYS HEy 1.0 1.8 5.19 853 853 A 16 ILE HD1% A 18 LYS HEy 1.0 1.8 4.05 854 854 A 11 ALA HB% A 54 LYS HEx 1.0 1.8 5.19 855 855 A 15 THR H A 14 VAL HG2% 1.0 1.8 4.54 856 856 A 41 ILE HB A 30 LEU HD2% 1.0 1.8 4.19 857 857 A 57 TYR HBy A 30 LEU HD2% 1.0 1.8 4.25 858 858 A 18 LYS HBx A 18 LYS HDy 1.0 1.8 4.44 859 859 A 27 TRP HBx A 16 ILE HG1x 1.0 1.8 5.14 860 860 A 16 ILE HG1x A 18 LYS HGx 1.0 1.8 5.08 861 861 A 18 LYS HGx A 16 ILE HG1y 1.0 1.8 4.93 862 862 A 29 GLN HGx A 16 ILE HG1y 1.0 1.8 5.42 863 863 A 44 HIS HA A 45 PRO HGx 1.0 1.8 5.48 864 864 A 11 ALA HB% A 41 ILE HG1y 1.0 1.8 5.18 865 865 A 11 ALA HB% A 41 ILE HG1x 1.0 1.8 5.18 866 866 A 16 ILE HD1% A 18 LYS HGy 1.0 1.8 4.60 867 867 A 30 LEU HD2% A 41 ILE HD1% 1.0 1.8 4.63 868 868 A 30 LEU HD2% A 41 ILE HG2% 1.0 1.8 3.59 869 869 A 51 MET HA A 30 LEU HD1% 1.0 1.8 5.40 870 870 A 35 PRO HBy A 36 LYS HGx 1.0 1.8 5.83 871 871 A 35 PRO HBy A 36 LYS HGy 1.0 1.8 5.83 872 872 A 32 ALA HB% A 57 TYR HDy 1.0 1.8 5.03 873 873 A 13 ILE HG1y A 30 LEU HBy 1.0 1.8 5.02 874 874 A 49 GLU HBy A 50 ALA HB% 1.0 1.8 4.89 875 875 A 49 GLU HBx A 50 ALA HB% 1.0 1.8 5.60 876 876 A 50 ALA HB% A 51 MET HBy 1.0 1.8 5.98 877 877 A 16 ILE HB A 18 LYS HGx 1.0 1.8 5.24 878 878 A 29 GLN HGy A 16 ILE HG2% 1.0 1.8 4.04 879 879 A 18 LYS HBx A 18 LYS HEy 1.0 1.8 5.09 880 880 A 18 LYS HBx A 18 LYS HEx 1.0 1.8 5.09 881 881 A 17 GLU H A 16 ILE HD1% 1.0 1.8 4.94 882 882 A 29 GLN HA A 43 GLU HGx 1.0 1.8 5.57 883 883 A 11 ALA HB% A 41 ILE HB 1.0 1.8 6.12 884 884 A 41 ILE HB A 53 ALA HB% 1.0 1.8 6.49 885 885 A 30 LEU HG A 41 ILE HB 1.0 1.8 4.51 886 886 A 41 ILE HB A 30 LEU HD1% 1.0 1.8 5.16 887 887 A 41 ILE HB A 40 LEU HD1% 1.0 1.8 5.74 888 888 A 18 LYS HBy A 18 LYS HDy 1.0 1.8 4.48 889 889 A 14 VAL HG2% A 31 ARG HBy 1.0 1.8 5.26 890 890 A 30 LEU HD2% A 54 LYS HBy 1.0 1.8 5.47 891 891 A 27 TRP HBy A 16 ILE HG1y 1.0 1.8 5.35 892 892 A 27 TRP HBx A 16 ILE HG1y 1.0 1.8 5.54 893 893 A 50 ALA HB% A 51 MET HGy 1.0 1.8 5.81 894 894 A 50 ALA HB% A 51 MET HGx 1.0 1.8 5.81 895 895 A 56 ARG HA A 56 ARG HDy 1.0 1.8 5.41 896 896 A 16 ILE HA A 17 GLU HGy 1.0 1.8 5.28 897 897 A 16 ILE HA A 17 GLU HGx 1.0 1.8 5.28 898 898 A 13 ILE HA A 30 LEU HD1% 1.0 1.8 4.59 899 899 A 13 ILE HA A 14 VAL HG2% 1.0 1.8 4.47 900 900 A 56 ARG H A 54 LYS HA 1.0 1.8 5.39 901 901 A 54 LYS HA A 54 LYS HGy 1.0 1.8 4.38 902 902 A 15 THR HA A 16 ILE HG2% 1.0 1.8 4.64 903 903 A 15 THR HA A 16 ILE HA 1.0 1.8 4.95 904 904 A 12 TYR HBx A 12 TYR HEx 1.0 1.8 5.44 905 905 A 12 TYR HA A 54 LYS HEx 1.0 1.8 4.93 906 906 A 53 ALA HA A 56 ARG HDy 1.0 1.8 5.60 907 907 A 53 ALA HA A 56 ARG HDx 1.0 1.8 5.60 908 908 A 29 GLN HA A 29 GLN HGy 1.0 1.8 4.18 909 909 A 43 GLU HA A 43 GLU HGx 1.0 1.8 4.44 910 910 A 43 GLU HA A 43 GLU HGy 1.0 1.8 4.48 911 911 A 32 ALA HB% A 39 SER HBx 1.0 1.8 5.58 912 912 A 29 GLN HA A 43 GLU HBx 1.0 1.8 5.14 913 913 A 5 PRO HA A 6 PRO HDx 1.0 1.8 3.82 914 914 A 5 PRO HA A 6 PRO HDy 1.0 1.8 3.82 915 915 A 29 GLN HGy A 16 ILE HG1y 1.0 1.8 5.39 916 916 A 49 GLU HBy A 44 HIS HA 1.0 1.8 6.09 917 917 A 35 PRO HBy A 34 HIS HA 1.0 1.8 5.29 918 918 A 26 THR HA A 25 VAL HG1% 1.0 1.8 5.14 919 919 A 25 VAL HB A 26 THR HA 1.0 1.8 6.60 920 920 A 7 TYR HA A 8 PRO HDx 1.0 1.8 4.16 921 921 A 7 TYR HA A 8 PRO HDy 1.0 1.8 4.16 922 922 A 4 LYS HA A 5 PRO HDx 1.0 1.8 3.56 923 923 A 16 ILE HB A 16 ILE HD1% 1.0 1.8 3.67 924 924 A 20 LYS H A 24 THR HG2% 1.0 1.8 4.89 925 925 A 20 LYS HA A 20 LYS HDx 1.0 1.8 5.74 926 926 A 20 LYS HA A 20 LYS HDy 1.0 1.8 5.74 927 927 A 24 THR HG2% A 18 LYS HA 1.0 1.8 5.70 928 928 A 13 ILE H A 14 VAL HG2% 1.0 1.8 4.92 929 929 A 25 VAL HG2% A 27 TRP HD1 1.0 1.8 5.35 930 930 A 47 ALA HB% A 28 TYR HDx 1.0 1.8 4.30 931 931 A 29 GLN HBy A 14 VAL HG1% 1.0 1.8 4.94 932 932 A 29 GLN HBy A 14 VAL HG2% 1.0 1.8 4.17 933 933 A 29 GLN HE2y A 43 GLU HGy 1.0 1.8 4.96 934 934 A 40 LEU HD1% A 41 ILE HD1% 1.0 1.8 6.60 935 935 A 30 LEU HD1% A 54 LYS HDy 1.0 1.8 5.01 936 936 A 30 LEU HD1% A 41 ILE HD1% 1.0 1.8 5.21 937 937 A 29 GLN HA A 43 GLU HGy 1.0 1.8 5.15 938 938 A 51 MET HBx A 48 GLN HA 1.0 1.8 4.47 939 939 A 51 MET HBy A 48 GLN HA 1.0 1.8 4.30 940 940 A 11 ALA HB% A 54 LYS HDy 1.0 1.8 4.88 941 941 A 58 GLU HBy A 55 LYS HA 1.0 1.8 4.88 942 942 A 58 GLU HBx A 55 LYS HA 1.0 1.8 5.30 943 943 A 59 ASP HA A 60 PRO HDy 1.0 1.8 4.06 944 944 A 59 ASP HA A 60 PRO HDx 1.0 1.8 4.06 945 945 A 57 TYR H A 58 GLU HBy 1.0 1.8 5.27 946 946 A 24 THR HG2% A 17 GLU HBy 1.0 1.8 4.26 947 947 A 28 TYR HBy A 28 TYR HDy 1.0 1.8 3.58 948 948 A 28 TYR HBx A 28 TYR HDx 1.0 1.8 3.58 949 949 A 12 TYR HBy A 12 TYR HDy 1.0 1.8 3.61 950 950 A 12 TYR HBx A 12 TYR HDx 1.0 1.8 3.55 951 951 A 12 TYR HEy A 31 ARG HDy 1.0 1.8 4.38 952 952 A 12 TYR HEy A 31 ARG HDx 1.0 1.8 4.38 953 953 A 57 TYR HBy A 57 TYR HDx 1.0 1.8 3.71 954 954 A 57 TYR HBx A 57 TYR HDy 1.0 1.8 3.71 955 955 A 47 ALA H A 28 TYR HEy 1.0 1.8 4.36 956 956 A 28 TYR H A 28 TYR HEy 1.0 1.8 5.24 957 957 A 32 ALA HB% A 57 TYR HEy 1.0 1.8 4.28 958 958 A 11 ALA HB% A 57 TYR HEy 1.0 1.8 4.14 959 959 A 47 ALA HA A 28 TYR HEx 1.0 1.8 4.98 960 960 A 28 TYR HBy A 28 TYR HEy 1.0 1.8 5.24 961 961 A 28 TYR HBx A 28 TYR HEx 1.0 1.8 5.30 962 962 A 45 PRO HBx A 27 TRP HZ2 1.0 1.8 5.92 963 963 A 25 VAL HG1% A 27 TRP HZ2 1.0 1.8 5.24 964 964 A 25 VAL H A 27 TRP HD1 1.0 1.8 5.35 965 965 A 27 TRP HA A 27 TRP HD1 1.0 1.8 4.52 966 966 A 25 VAL HB A 27 TRP HD1 1.0 1.8 4.19 967 967 A 18 LYS HBy A 27 TRP HD1 1.0 1.8 4.08 968 968 A 18 LYS HGx A 27 TRP HD1 1.0 1.8 3.86 969 969 A 25 VAL HG1% A 27 TRP HD1 1.0 1.8 4.13 970 970 A 16 ILE HD1% A 27 TRP HD1 1.0 1.8 4.95 971 971 A 45 PRO HA A 27 TRP HH2 1.0 1.8 5.44 972 972 A 45 PRO HBx A 27 TRP HH2 1.0 1.8 5.59 973 973 A 57 TYR HDx A 57 TYR HA 1.0 1.8 3.89 974 974 A 57 TYR HDy A 58 GLU HGy 1.0 1.8 4.49 975 975 A 57 TYR HDy A 58 GLU HGx 1.0 1.8 4.49 976 976 A 11 ALA HB% A 57 TYR HDy 1.0 1.8 3.60 977 977 A 41 ILE HG2% A 57 TYR HDx 1.0 1.8 3.98 978 978 A 41 ILE HD1% A 57 TYR HDx 1.0 1.8 4.86 979 979 A 28 TYR HBy A 27 TRP HE3 1.0 1.8 5.69 980 980 A 13 ILE HA A 12 TYR HDy 1.0 1.8 5.73 981 981 A 11 ALA HA A 12 TYR HDx 1.0 1.8 4.39 982 982 A 12 TYR HA A 12 TYR HDx 1.0 1.8 4.55 983 983 A 32 ALA HA A 12 TYR HDx 1.0 1.8 4.49 984 984 A 14 VAL HB A 12 TYR HDy 1.0 1.8 5.54 985 985 A 32 ALA HB% A 12 TYR HDx 1.0 1.8 5.26 986 986 A 11 ALA HB% A 12 TYR HDx 1.0 1.8 4.81 987 987 A 14 VAL HG2% A 12 TYR HDy 1.0 1.8 3.43 988 988 A 47 ALA H A 28 TYR HDx 1.0 1.8 6.14 989 989 A 47 ALA H A 28 TYR HDy 1.0 1.8 6.41 990 990 A 15 THR HA A 28 TYR HDx 1.0 1.8 5.32 991 991 A 28 TYR HA A 28 TYR HDx 1.0 1.8 4.07 992 992 A 27 TRP HA A 28 TYR HDy 1.0 1.8 4.00 993 993 A 28 TYR HDy A 45 PRO HA 1.0 1.8 4.84 994 994 A 50 ALA HB% A 28 TYR HDx 1.0 1.8 4.36 995 995 A 46 THR HG2% A 28 TYR HDy 1.0 1.8 5.62 996 996 A 13 ILE HG2% A 28 TYR HDx 1.0 1.8 3.31 997 997 A 57 TYR HEx A 57 TYR HA 1.0 1.8 5.63 998 998 A 26 THR HB A 28 TYR HEy 1.0 1.8 4.72 999 999 A 57 TYR HBx A 57 TYR HEy 1.0 1.8 5.31 1000 1000 A 28 TYR HEx A 13 ILE HG2% 1.0 1.8 4.10 1001 1001 A 41 ILE HD1% A 57 TYR HEx 1.0 1.8 4.31 1002 1002 A 33 ASP H A 12 TYR HEx 1.0 1.8 4.60 1003 1003 A 11 ALA HA A 12 TYR HEx 1.0 1.8 5.13 1004 1004 A 32 ALA HA A 12 TYR HEx 1.0 1.8 4.04 1005 1005 A 12 TYR HEx A 33 ASP HBx 1.0 1.8 5.62 1006 1006 A 14 VAL HG2% A 12 TYR HEy 1.0 1.8 3.61 1007 1007 A 28 TYR HDx A 15 THR HG2% 1.0 1.8 3.62 1008 1008 A 46 THR HA A 28 TYR HDy 1.0 1.8 4.40 1009 1009 A 27 TRP HE3 A 43 GLU HBx 1.0 1.8 4.85 1010 1010 A 26 THR HG2% A 28 TYR HEy 1.0 1.8 3.78 1011 1011 A 13 ILE HD1% A 28 TYR HDx 1.0 1.8 4.48 1012 1012 A 14 VAL HA A 12 TYR HDy 1.0 1.8 5.02 1013 1013 A 18 LYS HBx A 27 TRP HD1 1.0 1.8 4.40 1014 1014 A 17 GLU HA A 27 TRP HD1 1.0 1.8 5.24 1015 1015 A 27 TRP HA A 28 TYR HEy 1.0 1.8 5.08 1016 1016 A 32 ALA HB% A 12 TYR HEx 1.0 1.8 4.99 1017 1017 A 58 GLU H A 57 TYR HDy 1.0 1.8 4.75 1018 1018 A 28 TYR HEx A 15 THR HG2% 1.0 1.8 3.49 1019 1019 A 7 TYR HDx A 7 TYR HA 1.0 1.8 5.25 1020 1020 A 7 TYR HDy A 7 TYR HA 1.0 1.8 5.60 1021 1021 A 4 LYS HA A 5 PRO HDx 1.0 1.8 3.11 1022 1021 A 4 LYS HA A 5 PRO HDy 1.0 1.8 3.11 1023 1022 A 4 LYS HBy A 4 LYS HEx 1.0 1.8 5.38 1024 1022 A 4 LYS HBx A 4 LYS HEx 1.0 1.8 5.38 1025 1022 A 4 LYS HEy A 4 LYS HBy 1.0 1.8 5.38 1026 1022 A 4 LYS HBx A 4 LYS HEy 1.0 1.8 5.38 1027 1023 A 4 LYS HBy A 5 PRO HDx 1.0 1.8 4.25 1028 1023 A 4 LYS HBx A 5 PRO HDx 1.0 1.8 4.25 1029 1023 A 5 PRO HDy A 4 LYS HBy 1.0 1.8 4.25 1030 1023 A 5 PRO HDy A 4 LYS HBx 1.0 1.8 4.25 1031 1024 A 5 PRO HA A 6 PRO HDy 1.0 1.8 3.32 1032 1024 A 5 PRO HA A 6 PRO HDx 1.0 1.8 3.32 1033 1025 A 5 PRO HBy A 6 PRO HDy 1.0 1.8 3.71 1034 1025 A 5 PRO HBx A 6 PRO HDy 1.0 1.8 3.71 1035 1025 A 6 PRO HDx A 5 PRO HBy 1.0 1.8 3.71 1036 1025 A 6 PRO HDx A 5 PRO HBx 1.0 1.8 3.71 1037 1026 A 7 TYR H A 6 PRO HBx 1.0 1.8 4.29 1038 1026 A 7 TYR H A 6 PRO HBy 1.0 1.8 4.29 1039 1027 A 7 TYR H A 6 PRO HGy 1.0 1.8 4.97 1040 1027 A 7 TYR H A 6 PRO HGx 1.0 1.8 4.97 1041 1028 A 7 TYR H A 6 PRO HDy 1.0 1.8 5.36 1042 1028 A 7 TYR H A 6 PRO HDx 1.0 1.8 5.36 1043 1029 A 7 TYR H A 7 TYR HBy 1.0 1.8 3.98 1044 1029 A 7 TYR H A 7 TYR HBx 1.0 1.8 3.98 1045 1030 A 7 TYR H A 8 PRO HDy 1.0 1.8 6.15 1046 1030 A 7 TYR H A 8 PRO HDx 1.0 1.8 6.15 1047 1031 A 7 TYR HA A 8 PRO HDy 1.0 1.8 3.65 1048 1031 A 7 TYR HA A 8 PRO HDx 1.0 1.8 3.65 1049 1032 A 7 TYR HBx A 8 PRO HDy 1.0 1.8 4.55 1050 1032 A 7 TYR HBy A 8 PRO HDy 1.0 1.8 4.55 1051 1032 A 8 PRO HDx A 7 TYR HBy 1.0 1.8 4.55 1052 1032 A 7 TYR HBx A 8 PRO HDx 1.0 1.8 4.55 1053 1033 A 8 PRO HA A 9 ARG HBx 1.0 1.8 4.85 1054 1033 A 8 PRO HA A 9 ARG HBy 1.0 1.8 4.85 1055 1034 A 9 ARG H A 9 ARG HGx 1.0 1.8 4.69 1056 1034 A 9 ARG H A 9 ARG HGy 1.0 1.8 4.69 1057 1035 A 9 ARG HA A 9 ARG HGx 1.0 1.8 4.10 1058 1035 A 9 ARG HA A 9 ARG HGy 1.0 1.8 4.10 1059 1036 A 9 ARG HA A 9 ARG HDy 1.0 1.8 5.12 1060 1036 A 9 ARG HA A 9 ARG HDx 1.0 1.8 5.12 1061 1037 A 10 GLU H A 9 ARG HBx 1.0 1.8 4.65 1062 1037 A 10 GLU H A 9 ARG HBy 1.0 1.8 4.65 1063 1038 A 57 TYR HEy A 9 ARG HBx 1.0 1.8 4.72 1064 1038 A 57 TYR HEy A 9 ARG HBy 1.0 1.8 4.72 1065 1039 A 10 GLU H A 10 GLU HBy 1.0 1.8 3.76 1066 1039 A 10 GLU H A 10 GLU HBx 1.0 1.8 3.76 1067 1040 A 10 GLU H A 10 GLU HGx 1.0 1.8 5.15 1068 1040 A 10 GLU H A 10 GLU HGy 1.0 1.8 5.15 1069 1041 A 10 GLU HA A 58 GLU HGy 1.0 1.8 4.63 1070 1041 A 10 GLU HA A 58 GLU HGx 1.0 1.8 4.63 1071 1042 A 11 ALA H A 10 GLU HBy 1.0 1.8 4.33 1072 1042 A 11 ALA H A 10 GLU HBx 1.0 1.8 4.33 1073 1043 A 11 ALA H A 10 GLU HGx 1.0 1.8 5.01 1074 1043 A 11 ALA H A 10 GLU HGy 1.0 1.8 5.01 1075 1044 A 11 ALA H A 54 LYS HEx 1.0 1.8 5.73 1076 1044 A 11 ALA H A 54 LYS HEy 1.0 1.8 5.73 1077 1045 A 11 ALA H A 58 GLU HGy 1.0 1.8 4.61 1078 1045 A 11 ALA H A 58 GLU HGx 1.0 1.8 4.61 1079 1046 A 11 ALA HB% A 41 ILE HG1x 1.0 1.8 4.51 1080 1046 A 11 ALA HB% A 41 ILE HG1y 1.0 1.8 4.51 1081 1047 A 11 ALA HB% A 58 GLU HGy 1.0 1.8 4.92 1082 1047 A 11 ALA HB% A 58 GLU HGx 1.0 1.8 4.92 1083 1048 A 12 TYR H A 31 ARG HBy 1.0 1.8 5.03 1084 1048 A 12 TYR H A 31 ARG HBx 1.0 1.8 5.03 1085 1049 A 12 TYR HA A 54 LYS HGx 1.0 1.8 5.96 1086 1049 A 12 TYR HA A 54 LYS HGy 1.0 1.8 5.96 1087 1050 A 12 TYR HA A 54 LYS HEx 1.0 1.8 4.32 1088 1050 A 12 TYR HA A 54 LYS HEy 1.0 1.8 4.32 1089 1051 A 12 TYR HDx A 31 ARG HBy 1.0 1.8 5.85 1090 1051 A 12 TYR HDx A 31 ARG HBx 1.0 1.8 5.85 1091 1052 A 12 TYR HEx A 31 ARG HBy 1.0 1.8 5.14 1092 1052 A 12 TYR HEx A 31 ARG HBx 1.0 1.8 5.14 1093 1053 A 12 TYR HEx A 33 ASP HBx 1.0 1.8 4.94 1094 1053 A 12 TYR HEx A 33 ASP HBy 1.0 1.8 4.94 1095 1054 A 12 TYR HEy A 31 ARG HBy 1.0 1.8 4.50 1096 1054 A 12 TYR HEy A 31 ARG HBx 1.0 1.8 4.50 1097 1055 A 12 TYR HDy A 31 ARG HBy 1.0 1.8 6.03 1098 1055 A 12 TYR HDy A 31 ARG HBx 1.0 1.8 6.03 1099 1056 A 13 ILE HB A 51 MET HGx 1.0 1.8 6.14 1100 1056 A 13 ILE HB A 51 MET HGy 1.0 1.8 6.14 1101 1057 A 13 ILE HG2% A 51 MET HGx 1.0 1.8 6.20 1102 1057 A 13 ILE HG2% A 51 MET HGy 1.0 1.8 6.20 1103 1058 A 13 ILE HG1y A 54 LYS HBx 1.0 1.8 5.22 1104 1058 A 13 ILE HG1y A 54 LYS HBy 1.0 1.8 5.22 1105 1059 A 13 ILE HD1% A 51 MET HGx 1.0 1.8 3.73 1106 1059 A 13 ILE HD1% A 51 MET HGy 1.0 1.8 3.73 1107 1060 A 13 ILE HD1% A 54 LYS HBx 1.0 1.8 4.49 1108 1060 A 13 ILE HD1% A 54 LYS HBy 1.0 1.8 4.49 1109 1061 A 13 ILE HD1% A 54 LYS HEx 1.0 1.8 4.54 1110 1061 A 13 ILE HD1% A 54 LYS HEy 1.0 1.8 4.54 1111 1062 A 14 VAL HG1% A 31 ARG HDx 1.0 1.8 4.53 1112 1062 A 14 VAL HG1% A 31 ARG HDy 1.0 1.8 4.53 1113 1063 A 14 VAL HG2% A 31 ARG HGx 1.0 1.8 4.33 1114 1063 A 14 VAL HG2% A 31 ARG HGy 1.0 1.8 4.33 1115 1064 A 16 ILE H A 17 GLU HGx 1.0 1.8 6.39 1116 1064 A 16 ILE H A 17 GLU HGy 1.0 1.8 6.39 1117 1065 A 16 ILE HA A 17 GLU HBy 1.0 1.8 5.01 1118 1065 A 16 ILE HA A 17 GLU HBx 1.0 1.8 5.01 1119 1066 A 16 ILE HB A 18 LYS HEy 1.0 1.8 5.50 1120 1066 A 16 ILE HB A 18 LYS HEx 1.0 1.8 5.50 1121 1067 A 29 GLN HE2y A 16 ILE HG2% 1.0 1.8 4.08 1122 1067 A 29 GLN HE2x A 16 ILE HG2% 1.0 1.8 4.08 1123 1068 A 29 GLN HE2y A 16 ILE HG1y 1.0 1.8 5.62 1124 1068 A 29 GLN HE2x A 16 ILE HG1y 1.0 1.8 5.62 1125 1069 A 29 GLN HE2y A 16 ILE HG1x 1.0 1.8 5.60 1126 1069 A 29 GLN HE2x A 16 ILE HG1x 1.0 1.8 5.60 1127 1070 A 16 ILE HD1% A 18 LYS HEy 1.0 1.8 3.51 1128 1070 A 16 ILE HD1% A 18 LYS HEx 1.0 1.8 3.51 1129 1071 A 17 GLU H A 17 GLU HBy 1.0 1.8 3.58 1130 1071 A 17 GLU H A 17 GLU HBx 1.0 1.8 3.58 1131 1072 A 17 GLU H A 17 GLU HGx 1.0 1.8 3.67 1132 1072 A 17 GLU H A 17 GLU HGy 1.0 1.8 3.67 1133 1073 A 17 GLU HA A 17 GLU HGx 1.0 1.8 4.00 1134 1073 A 17 GLU HA A 17 GLU HGy 1.0 1.8 4.00 1135 1074 A 18 LYS H A 17 GLU HBy 1.0 1.8 3.79 1136 1074 A 18 LYS H A 17 GLU HBx 1.0 1.8 3.79 1137 1075 A 24 THR HB A 17 GLU HBy 1.0 1.8 3.71 1138 1075 A 24 THR HB A 17 GLU HBx 1.0 1.8 3.71 1139 1076 A 25 VAL H A 17 GLU HBy 1.0 1.8 5.19 1140 1076 A 25 VAL H A 17 GLU HBx 1.0 1.8 5.19 1141 1077 A 18 LYS H A 17 GLU HGx 1.0 1.8 5.19 1142 1077 A 18 LYS H A 17 GLU HGy 1.0 1.8 5.19 1143 1078 A 24 THR HB A 17 GLU HGx 1.0 1.8 4.98 1144 1078 A 24 THR HB A 17 GLU HGy 1.0 1.8 4.98 1145 1079 A 24 THR HG2% A 17 GLU HGx 1.0 1.8 4.53 1146 1079 A 24 THR HG2% A 17 GLU HGy 1.0 1.8 4.53 1147 1080 A 26 THR HA A 17 GLU HGx 1.0 1.8 6.37 1148 1080 A 26 THR HA A 17 GLU HGy 1.0 1.8 6.37 1149 1081 A 18 LYS HA A 18 LYS HDx 1.0 1.8 5.30 1150 1081 A 18 LYS HA A 18 LYS HDy 1.0 1.8 5.30 1151 1082 A 18 LYS HBy A 18 LYS HEy 1.0 1.8 4.77 1152 1082 A 18 LYS HBy A 18 LYS HEx 1.0 1.8 4.77 1153 1083 A 18 LYS HBx A 18 LYS HDx 1.0 1.8 3.85 1154 1083 A 18 LYS HBx A 18 LYS HDy 1.0 1.8 3.85 1155 1084 A 18 LYS HBx A 18 LYS HEy 1.0 1.8 4.39 1156 1084 A 18 LYS HBx A 18 LYS HEx 1.0 1.8 4.39 1157 1085 A 18 LYS HGy A 18 LYS HEy 1.0 1.8 4.00 1158 1085 A 18 LYS HGy A 18 LYS HEx 1.0 1.8 4.00 1159 1086 A 18 LYS HGx A 18 LYS HEy 1.0 1.8 3.77 1160 1086 A 18 LYS HGx A 18 LYS HEx 1.0 1.8 3.77 1161 1087 A 27 TRP HD1 A 18 LYS HDx 1.0 1.8 4.73 1162 1087 A 27 TRP HD1 A 18 LYS HDy 1.0 1.8 4.73 1163 1088 A 27 TRP HE1 A 18 LYS HDx 1.0 1.8 4.92 1164 1088 A 27 TRP HE1 A 18 LYS HDy 1.0 1.8 4.92 1165 1089 A 27 TRP HBy A 18 LYS HEy 1.0 1.8 4.99 1166 1089 A 27 TRP HBy A 18 LYS HEx 1.0 1.8 4.99 1167 1090 A 27 TRP HBx A 18 LYS HEy 1.0 1.8 5.18 1168 1090 A 27 TRP HBx A 18 LYS HEx 1.0 1.8 5.18 1169 1091 A 27 TRP HD1 A 18 LYS HEy 1.0 1.8 4.91 1170 1091 A 27 TRP HD1 A 18 LYS HEx 1.0 1.8 4.91 1171 1092 A 29 GLN HE2x A 18 LYS HEx 1.0 1.8 4.61 1172 1092 A 29 GLN HE2y A 18 LYS HEx 1.0 1.8 4.61 1173 1092 A 29 GLN HE2y A 18 LYS HEy 1.0 1.8 4.61 1174 1092 A 29 GLN HE2x A 18 LYS HEy 1.0 1.8 4.61 1175 1093 A 20 LYS H A 20 LYS HGy 1.0 1.8 4.22 1176 1093 A 20 LYS H A 20 LYS HGx 1.0 1.8 4.22 1177 1094 A 20 LYS HA A 20 LYS HGy 1.0 1.8 3.85 1178 1094 A 20 LYS HA A 20 LYS HGx 1.0 1.8 3.85 1179 1095 A 20 LYS HA A 20 LYS HDy 1.0 1.8 4.94 1180 1095 A 20 LYS HA A 20 LYS HDx 1.0 1.8 4.94 1181 1096 A 20 LYS HA A 21 PRO HGx 1.0 1.8 4.83 1182 1096 A 20 LYS HA A 21 PRO HGy 1.0 1.8 4.83 1183 1097 A 20 LYS HBy A 21 PRO HGx 1.0 1.8 6.12 1184 1097 A 20 LYS HBy A 21 PRO HGy 1.0 1.8 6.12 1185 1098 A 20 LYS HBy A 23 GLN HBy 1.0 1.8 5.48 1186 1098 A 20 LYS HBy A 23 GLN HBx 1.0 1.8 5.48 1187 1099 A 21 PRO HDy A 20 LYS HGy 1.0 1.8 4.96 1188 1099 A 21 PRO HDy A 20 LYS HGx 1.0 1.8 4.96 1189 1100 A 23 GLN HGx A 22 GLY HAx 1.0 1.8 4.66 1190 1100 A 23 GLN HGx A 22 GLY HAy 1.0 1.8 4.66 1191 1101 A 23 GLN H A 23 GLN HBy 1.0 1.8 3.59 1192 1101 A 23 GLN H A 23 GLN HBx 1.0 1.8 3.59 1193 1102 A 23 GLN HA A 23 GLN HE2y 1.0 1.8 3.59 1194 1102 A 23 GLN HA A 23 GLN HE2x 1.0 1.8 3.59 1195 1103 A 24 THR H A 23 GLN HBy 1.0 1.8 4.41 1196 1103 A 24 THR H A 23 GLN HBx 1.0 1.8 4.41 1197 1104 A 27 TRP HBx A 43 GLU HBx 1.0 1.8 5.70 1198 1104 A 27 TRP HBx A 43 GLU HBy 1.0 1.8 5.70 1199 1105 A 27 TRP HE3 A 43 GLU HBx 1.0 1.8 4.27 1200 1105 A 27 TRP HE3 A 43 GLU HBy 1.0 1.8 4.27 1201 1106 A 27 TRP HZ3 A 45 PRO HDx 1.0 1.8 4.48 1202 1106 A 27 TRP HZ3 A 45 PRO HDy 1.0 1.8 4.48 1203 1107 A 27 TRP HH2 A 43 GLU HBx 1.0 1.8 6.39 1204 1107 A 27 TRP HH2 A 43 GLU HBy 1.0 1.8 6.39 1205 1108 A 27 TRP HH2 A 45 PRO HDx 1.0 1.8 5.27 1206 1108 A 27 TRP HH2 A 45 PRO HDy 1.0 1.8 5.27 1207 1109 A 29 GLN HBx A 29 GLN HE2y 1.0 1.8 4.43 1208 1109 A 29 GLN HBx A 29 GLN HE2x 1.0 1.8 4.43 1209 1110 A 29 GLN HGx A 29 GLN HE2y 1.0 1.8 3.40 1210 1110 A 29 GLN HGx A 29 GLN HE2x 1.0 1.8 3.40 1211 1111 A 29 GLN HE2y A 29 GLN HGy 1.0 1.8 3.72 1212 1111 A 29 GLN HE2x A 29 GLN HGy 1.0 1.8 3.72 1213 1112 A 29 GLN HE2y A 40 LEU HD1% 1.0 1.8 4.22 1214 1112 A 29 GLN HE2x A 40 LEU HD1% 1.0 1.8 4.22 1215 1113 A 29 GLN HE2y A 40 LEU HD2% 1.0 1.8 4.19 1216 1113 A 29 GLN HE2x A 40 LEU HD2% 1.0 1.8 4.19 1217 1114 A 29 GLN HE2y A 43 GLU HGx 1.0 1.8 5.14 1218 1114 A 29 GLN HE2x A 43 GLU HGx 1.0 1.8 5.14 1219 1115 A 30 LEU H A 31 ARG HGx 1.0 1.8 6.39 1220 1115 A 30 LEU H A 31 ARG HGy 1.0 1.8 6.39 1221 1116 A 30 LEU HD1% A 54 LYS HBx 1.0 1.8 3.58 1222 1116 A 30 LEU HD1% A 54 LYS HBy 1.0 1.8 3.58 1223 1117 A 30 LEU HD1% A 54 LYS HGx 1.0 1.8 3.61 1224 1117 A 30 LEU HD1% A 54 LYS HGy 1.0 1.8 3.61 1225 1118 A 30 LEU HD1% A 54 LYS HEx 1.0 1.8 5.65 1226 1118 A 30 LEU HD1% A 54 LYS HEy 1.0 1.8 5.65 1227 1119 A 30 LEU HD2% A 42 SER HBx 1.0 1.8 5.24 1228 1119 A 30 LEU HD2% A 42 SER HBy 1.0 1.8 5.24 1229 1120 A 30 LEU HD2% A 54 LYS HBx 1.0 1.8 4.53 1230 1120 A 30 LEU HD2% A 54 LYS HBy 1.0 1.8 4.53 1231 1121 A 31 ARG H A 31 ARG HBy 1.0 1.8 4.03 1232 1121 A 31 ARG H A 31 ARG HBx 1.0 1.8 4.03 1233 1122 A 31 ARG H A 31 ARG HGx 1.0 1.8 4.37 1234 1122 A 31 ARG H A 31 ARG HGy 1.0 1.8 4.37 1235 1123 A 31 ARG H A 31 ARG HDx 1.0 1.8 5.59 1236 1123 A 31 ARG H A 31 ARG HDy 1.0 1.8 5.59 1237 1124 A 31 ARG HA A 31 ARG HGx 1.0 1.8 3.93 1238 1124 A 31 ARG HA A 31 ARG HGy 1.0 1.8 3.93 1239 1125 A 31 ARG HA A 41 ILE HG1x 1.0 1.8 4.28 1240 1125 A 31 ARG HA A 41 ILE HG1y 1.0 1.8 4.28 1241 1126 A 31 ARG HBy A 31 ARG HDx 1.0 1.8 3.60 1242 1126 A 31 ARG HBx A 31 ARG HDx 1.0 1.8 3.60 1243 1126 A 31 ARG HDy A 31 ARG HBy 1.0 1.8 3.60 1244 1126 A 31 ARG HBx A 31 ARG HDy 1.0 1.8 3.60 1245 1127 A 31 ARG HE A 31 ARG HBy 1.0 1.8 4.83 1246 1127 A 31 ARG HE A 31 ARG HBx 1.0 1.8 4.83 1247 1128 A 32 ALA H A 31 ARG HBy 1.0 1.8 3.77 1248 1128 A 32 ALA H A 31 ARG HBx 1.0 1.8 3.77 1249 1129 A 31 ARG HE A 31 ARG HGx 1.0 1.8 4.00 1250 1129 A 31 ARG HE A 31 ARG HGy 1.0 1.8 4.00 1251 1130 A 32 ALA H A 31 ARG HGx 1.0 1.8 6.08 1252 1130 A 32 ALA H A 31 ARG HGy 1.0 1.8 6.08 1253 1131 A 40 LEU HA A 31 ARG HGx 1.0 1.8 3.77 1254 1131 A 40 LEU HA A 31 ARG HGy 1.0 1.8 3.77 1255 1132 A 40 LEU HD1% A 31 ARG HGx 1.0 1.8 4.19 1256 1132 A 40 LEU HD1% A 31 ARG HGy 1.0 1.8 4.19 1257 1133 A 40 LEU HA A 31 ARG HDx 1.0 1.8 5.54 1258 1133 A 40 LEU HA A 31 ARG HDy 1.0 1.8 5.54 1259 1134 A 32 ALA H A 39 SER HBx 1.0 1.8 4.50 1260 1134 A 32 ALA H A 39 SER HBy 1.0 1.8 4.50 1261 1135 A 32 ALA H A 41 ILE HG1x 1.0 1.8 5.01 1262 1135 A 32 ALA H A 41 ILE HG1y 1.0 1.8 5.01 1263 1136 A 32 ALA HB% A 33 ASP HBx 1.0 1.8 5.03 1264 1136 A 32 ALA HB% A 33 ASP HBy 1.0 1.8 5.03 1265 1137 A 32 ALA HB% A 39 SER HBx 1.0 1.8 4.88 1266 1137 A 32 ALA HB% A 39 SER HBy 1.0 1.8 4.88 1267 1138 A 32 ALA HB% A 41 ILE HG1x 1.0 1.8 4.11 1268 1138 A 32 ALA HB% A 41 ILE HG1y 1.0 1.8 4.11 1269 1139 A 33 ASP H A 33 ASP HBx 1.0 1.8 3.89 1270 1139 A 33 ASP H A 33 ASP HBy 1.0 1.8 3.89 1271 1140 A 34 HIS H A 33 ASP HBx 1.0 1.8 3.72 1272 1140 A 34 HIS H A 33 ASP HBy 1.0 1.8 3.72 1273 1141 A 37 PRO HA A 33 ASP HBx 1.0 1.8 5.28 1274 1141 A 37 PRO HA A 33 ASP HBy 1.0 1.8 5.28 1275 1142 A 34 HIS H A 34 HIS HBx 1.0 1.8 3.71 1276 1142 A 34 HIS H A 34 HIS HBy 1.0 1.8 3.71 1277 1143 A 34 HIS H A 39 SER HBx 1.0 1.8 6.02 1278 1143 A 34 HIS H A 39 SER HBy 1.0 1.8 6.02 1279 1144 A 35 PRO HA A 34 HIS HBx 1.0 1.8 4.41 1280 1144 A 35 PRO HA A 34 HIS HBy 1.0 1.8 4.41 1281 1145 A 35 PRO HBy A 36 LYS HGy 1.0 1.8 4.92 1282 1145 A 35 PRO HBy A 36 LYS HGx 1.0 1.8 4.92 1283 1146 A 36 LYS H A 35 PRO HGx 1.0 1.8 4.14 1284 1146 A 36 LYS H A 35 PRO HGy 1.0 1.8 4.14 1285 1147 A 36 LYS H A 35 PRO HDx 1.0 1.8 3.93 1286 1147 A 36 LYS H A 35 PRO HDy 1.0 1.8 3.93 1287 1148 A 36 LYS H A 36 LYS HBx 1.0 1.8 3.85 1288 1148 A 36 LYS H A 36 LYS HBy 1.0 1.8 3.85 1289 1149 A 36 LYS H A 36 LYS HGy 1.0 1.8 4.71 1290 1149 A 36 LYS H A 36 LYS HGx 1.0 1.8 4.71 1291 1150 A 36 LYS H A 39 SER HBx 1.0 1.8 5.15 1292 1150 A 36 LYS H A 39 SER HBy 1.0 1.8 5.15 1293 1151 A 37 PRO HDy A 36 LYS HBx 1.0 1.8 4.63 1294 1151 A 36 LYS HBy A 37 PRO HDy 1.0 1.8 4.63 1295 1152 A 38 ASP H A 36 LYS HBx 1.0 1.8 5.07 1296 1152 A 38 ASP H A 36 LYS HBy 1.0 1.8 5.07 1297 1153 A 36 LYS HBx A 39 SER HBx 1.0 1.8 5.71 1298 1153 A 36 LYS HBy A 39 SER HBx 1.0 1.8 5.71 1299 1153 A 39 SER HBy A 36 LYS HBx 1.0 1.8 5.71 1300 1153 A 39 SER HBy A 36 LYS HBy 1.0 1.8 5.71 1301 1154 A 37 PRO HDx A 36 LYS HGy 1.0 1.8 4.61 1302 1154 A 37 PRO HDx A 36 LYS HGx 1.0 1.8 4.61 1303 1155 A 37 PRO HDy A 36 LYS HGy 1.0 1.8 5.54 1304 1155 A 36 LYS HGx A 37 PRO HDy 1.0 1.8 5.54 1305 1156 A 37 PRO HDy A 36 LYS HDx 1.0 1.8 5.13 1306 1156 A 37 PRO HDy A 36 LYS HDy 1.0 1.8 5.13 1307 1157 A 38 ASP H A 37 PRO HGy 1.0 1.8 5.36 1308 1157 A 38 ASP H A 37 PRO HGx 1.0 1.8 5.36 1309 1158 A 38 ASP H A 38 ASP HBx 1.0 1.8 3.97 1310 1158 A 38 ASP H A 38 ASP HBy 1.0 1.8 3.97 1311 1159 A 39 SER H A 38 ASP HBx 1.0 1.8 4.91 1312 1159 A 39 SER H A 38 ASP HBy 1.0 1.8 4.91 1313 1160 A 39 SER H A 39 SER HBx 1.0 1.8 3.60 1314 1160 A 39 SER H A 39 SER HBy 1.0 1.8 3.60 1315 1161 A 40 LEU H A 39 SER HBx 1.0 1.8 4.11 1316 1161 A 40 LEU H A 39 SER HBy 1.0 1.8 4.11 1317 1162 A 41 ILE HD1% A 39 SER HBx 1.0 1.8 5.12 1318 1162 A 41 ILE HD1% A 39 SER HBy 1.0 1.8 5.12 1319 1163 A 40 LEU HD1% A 40 LEU HBy 1.0 1.8 3.58 1320 1163 A 40 LEU HD1% A 40 LEU HBx 1.0 1.8 3.58 1321 1164 A 40 LEU HD2% A 43 GLU HBx 1.0 1.8 5.73 1322 1164 A 40 LEU HD2% A 43 GLU HBy 1.0 1.8 5.73 1323 1165 A 41 ILE H A 41 ILE HG1x 1.0 1.8 3.99 1324 1165 A 41 ILE H A 41 ILE HG1y 1.0 1.8 3.99 1325 1166 A 41 ILE HA A 41 ILE HG1x 1.0 1.8 4.09 1326 1166 A 41 ILE HA A 41 ILE HG1y 1.0 1.8 4.09 1327 1167 A 41 ILE HG2% A 41 ILE HG1x 1.0 1.8 3.69 1328 1167 A 41 ILE HG2% A 41 ILE HG1y 1.0 1.8 3.69 1329 1168 A 41 ILE HG2% A 42 SER HBx 1.0 1.8 4.77 1330 1168 A 41 ILE HG2% A 42 SER HBy 1.0 1.8 4.77 1331 1169 A 42 SER H A 41 ILE HG1x 1.0 1.8 5.60 1332 1169 A 42 SER H A 41 ILE HG1y 1.0 1.8 5.60 1333 1170 A 43 GLU H A 42 SER HBx 1.0 1.8 3.71 1334 1170 A 43 GLU H A 42 SER HBy 1.0 1.8 3.71 1335 1171 A 43 GLU H A 43 GLU HBx 1.0 1.8 3.95 1336 1171 A 43 GLU H A 43 GLU HBy 1.0 1.8 3.95 1337 1172 A 44 HIS H A 43 GLU HBx 1.0 1.8 4.04 1338 1172 A 44 HIS H A 43 GLU HBy 1.0 1.8 4.04 1339 1173 A 44 HIS H A 44 HIS HBx 1.0 1.8 3.82 1340 1173 A 44 HIS H A 44 HIS HBy 1.0 1.8 3.82 1341 1174 A 44 HIS H A 45 PRO HDx 1.0 1.8 5.36 1342 1174 A 44 HIS H A 45 PRO HDy 1.0 1.8 5.36 1343 1175 A 44 HIS HA A 45 PRO HDx 1.0 1.8 3.27 1344 1175 A 44 HIS HA A 45 PRO HDy 1.0 1.8 3.27 1345 1176 A 44 HIS HBx A 45 PRO HDx 1.0 1.8 4.11 1346 1176 A 44 HIS HBy A 45 PRO HDx 1.0 1.8 4.11 1347 1176 A 45 PRO HDy A 44 HIS HBx 1.0 1.8 4.11 1348 1176 A 45 PRO HDy A 44 HIS HBy 1.0 1.8 4.11 1349 1177 A 46 THR H A 44 HIS HBx 1.0 1.8 3.65 1350 1177 A 46 THR H A 44 HIS HBy 1.0 1.8 3.65 1351 1178 A 49 GLU H A 44 HIS HBx 1.0 1.8 5.19 1352 1178 A 49 GLU H A 44 HIS HBy 1.0 1.8 5.19 1353 1179 A 49 GLU HBy A 44 HIS HBx 1.0 1.8 5.05 1354 1179 A 49 GLU HBy A 44 HIS HBy 1.0 1.8 5.05 1355 1180 A 49 GLU HBx A 44 HIS HBx 1.0 1.8 4.46 1356 1180 A 49 GLU HBx A 44 HIS HBy 1.0 1.8 4.46 1357 1181 A 44 HIS HBy A 49 GLU HGx 1.0 1.8 5.06 1358 1181 A 44 HIS HBx A 49 GLU HGx 1.0 1.8 5.06 1359 1181 A 49 GLU HGy A 44 HIS HBx 1.0 1.8 5.06 1360 1181 A 44 HIS HBy A 49 GLU HGy 1.0 1.8 5.06 1361 1182 A 50 ALA H A 44 HIS HBx 1.0 1.8 4.74 1362 1182 A 50 ALA H A 44 HIS HBy 1.0 1.8 4.74 1363 1183 A 50 ALA HB% A 44 HIS HBx 1.0 1.8 4.20 1364 1183 A 50 ALA HB% A 44 HIS HBy 1.0 1.8 4.20 1365 1184 A 46 THR H A 45 PRO HDx 1.0 1.8 4.00 1366 1184 A 46 THR H A 45 PRO HDy 1.0 1.8 4.00 1367 1185 A 46 THR H A 49 GLU HGx 1.0 1.8 4.48 1368 1185 A 46 THR H A 49 GLU HGy 1.0 1.8 4.48 1369 1186 A 46 THR HG2% A 49 GLU HGx 1.0 1.8 5.04 1370 1186 A 46 THR HG2% A 49 GLU HGy 1.0 1.8 5.04 1371 1187 A 47 ALA HB% A 51 MET HGx 1.0 1.8 4.95 1372 1187 A 47 ALA HB% A 51 MET HGy 1.0 1.8 4.95 1373 1188 A 48 GLN H A 48 GLN HGy 1.0 1.8 4.51 1374 1188 A 48 GLN H A 48 GLN HGx 1.0 1.8 4.51 1375 1189 A 48 GLN HA A 48 GLN HGy 1.0 1.8 3.86 1376 1189 A 48 GLN HA A 48 GLN HGx 1.0 1.8 3.86 1377 1190 A 48 GLN HA A 51 MET HGx 1.0 1.8 4.96 1378 1190 A 48 GLN HA A 51 MET HGy 1.0 1.8 4.96 1379 1191 A 48 GLN HE2y A 48 GLN HGy 1.0 1.8 3.40 1380 1191 A 48 GLN HE2y A 48 GLN HGx 1.0 1.8 3.40 1381 1192 A 52 ASP H A 48 GLN HGy 1.0 1.8 5.19 1382 1192 A 52 ASP H A 48 GLN HGx 1.0 1.8 5.19 1383 1193 A 48 GLN HE2y A 52 ASP HBx 1.0 1.8 4.50 1384 1193 A 48 GLN HE2y A 52 ASP HBy 1.0 1.8 4.50 1385 1194 A 48 GLN HE2x A 52 ASP HBx 1.0 1.8 5.65 1386 1194 A 48 GLN HE2x A 52 ASP HBy 1.0 1.8 5.65 1387 1195 A 49 GLU H A 49 GLU HGx 1.0 1.8 4.21 1388 1195 A 49 GLU H A 49 GLU HGy 1.0 1.8 4.21 1389 1196 A 49 GLU HA A 49 GLU HGx 1.0 1.8 3.48 1390 1196 A 49 GLU HA A 49 GLU HGy 1.0 1.8 3.48 1391 1197 A 50 ALA H A 49 GLU HGx 1.0 1.8 5.57 1392 1197 A 50 ALA H A 49 GLU HGy 1.0 1.8 5.57 1393 1198 A 50 ALA HB% A 51 MET HGx 1.0 1.8 4.97 1394 1198 A 50 ALA HB% A 51 MET HGy 1.0 1.8 4.97 1395 1199 A 50 ALA HB% A 54 LYS HBx 1.0 1.8 5.89 1396 1199 A 50 ALA HB% A 54 LYS HBy 1.0 1.8 5.89 1397 1200 A 51 MET H A 51 MET HGx 1.0 1.8 3.53 1398 1200 A 51 MET H A 51 MET HGy 1.0 1.8 3.53 1399 1201 A 51 MET HA A 51 MET HGx 1.0 1.8 3.78 1400 1201 A 51 MET HA A 51 MET HGy 1.0 1.8 3.78 1401 1202 A 51 MET HGx A 54 LYS HBx 1.0 1.8 6.17 1402 1202 A 51 MET HGy A 54 LYS HBx 1.0 1.8 6.17 1403 1202 A 54 LYS HBy A 51 MET HGx 1.0 1.8 6.17 1404 1202 A 51 MET HGy A 54 LYS HBy 1.0 1.8 6.17 1405 1203 A 52 ASP H A 52 ASP HBx 1.0 1.8 3.15 1406 1203 A 52 ASP H A 52 ASP HBy 1.0 1.8 3.15 1407 1204 A 52 ASP HA A 55 LYS HBy 1.0 1.8 3.92 1408 1204 A 52 ASP HA A 55 LYS HBx 1.0 1.8 3.92 1409 1205 A 52 ASP HA A 55 LYS HGx 1.0 1.8 5.03 1410 1205 A 52 ASP HA A 55 LYS HGy 1.0 1.8 5.03 1411 1206 A 52 ASP HA A 55 LYS HDy 1.0 1.8 5.12 1412 1206 A 52 ASP HA A 55 LYS HDx 1.0 1.8 5.12 1413 1207 A 53 ALA H A 52 ASP HBx 1.0 1.8 3.50 1414 1207 A 53 ALA H A 52 ASP HBy 1.0 1.8 3.50 1415 1208 A 53 ALA HA A 56 ARG HBx 1.0 1.8 3.66 1416 1208 A 53 ALA HA A 56 ARG HBy 1.0 1.8 3.66 1417 1209 A 53 ALA HA A 56 ARG HGy 1.0 1.8 5.19 1418 1209 A 53 ALA HA A 56 ARG HGx 1.0 1.8 5.19 1419 1210 A 53 ALA HA A 56 ARG HDx 1.0 1.8 4.88 1420 1210 A 53 ALA HA A 56 ARG HDy 1.0 1.8 4.88 1421 1211 A 53 ALA HB% A 56 ARG HBx 1.0 1.8 4.92 1422 1211 A 53 ALA HB% A 56 ARG HBy 1.0 1.8 4.92 1423 1212 A 54 LYS H A 54 LYS HGx 1.0 1.8 5.86 1424 1212 A 54 LYS H A 54 LYS HGy 1.0 1.8 5.86 1425 1213 A 54 LYS H A 55 LYS HBy 1.0 1.8 5.22 1426 1213 A 54 LYS H A 55 LYS HBx 1.0 1.8 5.22 1427 1214 A 54 LYS HA A 54 LYS HGx 1.0 1.8 3.60 1428 1214 A 54 LYS HA A 54 LYS HGy 1.0 1.8 3.60 1429 1215 A 55 LYS H A 54 LYS HBx 1.0 1.8 3.64 1430 1215 A 55 LYS H A 54 LYS HBy 1.0 1.8 3.64 1431 1216 A 54 LYS HEx A 54 LYS HGx 1.0 1.8 3.64 1432 1216 A 54 LYS HEy A 54 LYS HGx 1.0 1.8 3.64 1433 1216 A 54 LYS HGy A 54 LYS HEx 1.0 1.8 3.64 1434 1216 A 54 LYS HEy A 54 LYS HGy 1.0 1.8 3.64 1435 1217 A 55 LYS H A 54 LYS HGx 1.0 1.8 4.73 1436 1217 A 55 LYS H A 54 LYS HGy 1.0 1.8 4.73 1437 1218 A 57 TYR HBx A 54 LYS HGx 1.0 1.8 5.98 1438 1218 A 57 TYR HBx A 54 LYS HGy 1.0 1.8 5.98 1439 1219 A 55 LYS H A 55 LYS HBy 1.0 1.8 3.09 1440 1219 A 55 LYS H A 55 LYS HBx 1.0 1.8 3.09 1441 1220 A 55 LYS H A 55 LYS HGx 1.0 1.8 3.78 1442 1220 A 55 LYS H A 55 LYS HGy 1.0 1.8 3.78 1443 1221 A 55 LYS H A 55 LYS HDy 1.0 1.8 5.32 1444 1221 A 55 LYS H A 55 LYS HDx 1.0 1.8 5.32 1445 1222 A 55 LYS HA A 55 LYS HGx 1.0 1.8 3.81 1446 1222 A 55 LYS HA A 55 LYS HGy 1.0 1.8 3.81 1447 1223 A 55 LYS HA A 55 LYS HDy 1.0 1.8 5.21 1448 1223 A 55 LYS HA A 55 LYS HDx 1.0 1.8 5.21 1449 1224 A 55 LYS HBx A 55 LYS HEx 1.0 1.8 5.05 1450 1224 A 55 LYS HBy A 55 LYS HEx 1.0 1.8 5.05 1451 1224 A 55 LYS HEy A 55 LYS HBy 1.0 1.8 5.05 1452 1224 A 55 LYS HBx A 55 LYS HEy 1.0 1.8 5.05 1453 1225 A 56 ARG H A 55 LYS HBy 1.0 1.8 4.06 1454 1225 A 56 ARG H A 55 LYS HBx 1.0 1.8 4.06 1455 1226 A 56 ARG H A 55 LYS HGx 1.0 1.8 5.33 1456 1226 A 56 ARG H A 55 LYS HGy 1.0 1.8 5.33 1457 1227 A 56 ARG H A 56 ARG HBx 1.0 1.8 3.39 1458 1227 A 56 ARG H A 56 ARG HBy 1.0 1.8 3.39 1459 1228 A 56 ARG H A 56 ARG HGy 1.0 1.8 4.69 1460 1228 A 56 ARG H A 56 ARG HGx 1.0 1.8 4.69 1461 1229 A 56 ARG HA A 56 ARG HGy 1.0 1.8 3.41 1462 1229 A 56 ARG HA A 56 ARG HGx 1.0 1.8 3.41 1463 1230 A 56 ARG HA A 56 ARG HDx 1.0 1.8 4.64 1464 1230 A 56 ARG HA A 56 ARG HDy 1.0 1.8 4.64 1465 1231 A 56 ARG HBx A 56 ARG HDx 1.0 1.8 3.43 1466 1231 A 56 ARG HBy A 56 ARG HDx 1.0 1.8 3.43 1467 1231 A 56 ARG HDy A 56 ARG HBx 1.0 1.8 3.43 1468 1231 A 56 ARG HBy A 56 ARG HDy 1.0 1.8 3.43 1469 1232 A 57 TYR H A 56 ARG HBx 1.0 1.8 4.06 1470 1232 A 57 TYR H A 56 ARG HBy 1.0 1.8 4.06 1471 1233 A 56 ARG HGx A 59 ASP HBx 1.0 1.8 4.92 1472 1233 A 56 ARG HGy A 59 ASP HBx 1.0 1.8 4.92 1473 1233 A 59 ASP HBy A 56 ARG HGy 1.0 1.8 4.92 1474 1233 A 56 ARG HGx A 59 ASP HBy 1.0 1.8 4.92 1475 1234 A 57 TYR HDy A 58 GLU HGy 1.0 1.8 3.82 1476 1234 A 57 TYR HDy A 58 GLU HGx 1.0 1.8 3.82 1477 1235 A 58 GLU H A 58 GLU HGy 1.0 1.8 3.78 1478 1235 A 58 GLU H A 58 GLU HGx 1.0 1.8 3.78 1479 1236 A 58 GLU HA A 58 GLU HGy 1.0 1.8 3.88 1480 1236 A 58 GLU HA A 58 GLU HGx 1.0 1.8 3.88 1481 1237 A 59 ASP H A 59 ASP HBx 1.0 1.8 3.48 1482 1237 A 59 ASP H A 59 ASP HBy 1.0 1.8 3.48 1483 1238 A 59 ASP H A 60 PRO HDx 1.0 1.8 5.32 1484 1238 A 59 ASP H A 60 PRO HDy 1.0 1.8 5.32 1485 1239 A 59 ASP HA A 60 PRO HGy 1.0 1.8 5.31 1486 1239 A 59 ASP HA A 60 PRO HGx 1.0 1.8 5.31 1487 1240 A 59 ASP HA A 60 PRO HDx 1.0 1.8 3.44 1488 1240 A 59 ASP HA A 60 PRO HDy 1.0 1.8 3.44 1489 1241 A 59 ASP HBy A 60 PRO HDx 1.0 1.8 4.71 1490 1241 A 59 ASP HBx A 60 PRO HDx 1.0 1.8 4.71 1491 1241 A 60 PRO HDy A 59 ASP HBx 1.0 1.8 4.71 1492 1241 A 59 ASP HBy A 60 PRO HDy 1.0 1.8 4.71 1493 1242 A 61 ASP H A 60 PRO HBy 1.0 1.8 4.39 1494 1242 A 61 ASP H A 60 PRO HBx 1.0 1.8 4.39 1495 1243 A 61 ASP H A 60 PRO HGy 1.0 1.8 5.41 1496 1243 A 61 ASP H A 60 PRO HGx 1.0 1.8 5.41 1497 1244 A 61 ASP H A 61 ASP HBx 1.0 1.8 3.41 1498 1244 A 61 ASP H A 61 ASP HBy 1.0 1.8 3.41 1499 1245 A 61 ASP H A 62 LYS HBy 1.0 1.8 5.63 1500 1245 A 61 ASP H A 62 LYS HBx 1.0 1.8 5.63 1501 1246 A 62 LYS H A 62 LYS HBy 1.0 1.8 3.64 1502 1246 A 62 LYS H A 62 LYS HBx 1.0 1.8 3.64 1503 1247 A 62 LYS H A 62 LYS HGy 1.0 1.8 4.97 1504 1247 A 62 LYS H A 62 LYS HGx 1.0 1.8 4.97 1505 1248 A 62 LYS HA A 62 LYS HGy 1.0 1.8 3.96 1506 1248 A 62 LYS HA A 62 LYS HGx 1.0 1.8 3.96 1507 1249 A 62 LYS HA A 62 LYS HDy 1.0 1.8 4.80 1508 1249 A 62 LYS HA A 62 LYS HDx 1.0 1.8 4.80 1509 1250 A 63 GLU H A 62 LYS HBy 1.0 1.8 4.77 1510 1250 A 63 GLU H A 62 LYS HBx 1.0 1.8 4.77 1511 1251 A 62 LYS HEx A 62 LYS HGy 1.0 1.8 3.51 1512 1251 A 62 LYS HEy A 62 LYS HGy 1.0 1.8 3.51 1513 1251 A 62 LYS HGx A 62 LYS HEy 1.0 1.8 3.51 1514 1251 A 62 LYS HGx A 62 LYS HEx 1.0 1.8 3.51 1515 1252 A 63 GLU H A 62 LYS HGy 1.0 1.8 5.30 1516 1252 A 63 GLU H A 62 LYS HGx 1.0 1.8 5.30 1517 1253 A 63 GLU H A 62 LYS HDy 1.0 1.8 4.54 1518 1253 A 63 GLU H A 62 LYS HDx 1.0 1.8 4.54 1519 1254 A 63 GLU H A 63 GLU HBy 1.0 1.8 3.85 1520 1254 A 63 GLU H A 63 GLU HBx 1.0 1.8 3.85 1521 1255 A 63 GLU H A 63 GLU HGx 1.0 1.8 4.18 1522 1255 A 63 GLU H A 63 GLU HGy 1.0 1.8 4.18 1523 1256 A 63 GLU HA A 63 GLU HGx 1.0 1.8 3.85 1524 1256 A 63 GLU HA A 63 GLU HGy 1.0 1.8 3.85 1525 1257 A 64 LEU H A 63 GLU HBy 1.0 1.8 4.54 1526 1257 A 64 LEU H A 63 GLU HBx 1.0 1.8 4.54 1527 1258 A 64 LEU H A 63 GLU HGx 1.0 1.8 5.26 1528 1258 A 64 LEU H A 63 GLU HGy 1.0 1.8 5.26 1529 1259 A 64 LEU H A 64 LEU HBy 1.0 1.8 3.73 1530 1259 A 64 LEU H A 64 LEU HBx 1.0 1.8 3.73 1531 1260 A 64 LEU H A 64 LEU HD1% 1.0 1.8 5.17 1532 1260 A 64 LEU H A 64 LEU HD2% 1.0 1.8 5.17 1533 1261 A 64 LEU HA A 64 LEU HD1% 1.0 1.8 3.52 1534 1261 A 64 LEU HA A 64 LEU HD2% 1.0 1.8 3.52 1535 1262 A 64 LEU HBy A 64 LEU HD1% 1.0 1.8 3.12 1536 1262 A 64 LEU HBx A 64 LEU HD1% 1.0 1.8 3.12 1537 1262 A 64 LEU HD2% A 64 LEU HBy 1.0 1.8 3.12 1538 1262 A 64 LEU HBx A 64 LEU HD2% 1.0 1.8 3.12 1539 1263 A 65 GLU H A 64 LEU HBy 1.0 1.8 4.38 1540 1263 A 65 GLU H A 64 LEU HBx 1.0 1.8 4.38 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 12 TYR H A 31 ARG O 1.0 1.8 2.2 2 2 A 31 ARG O A 12 TYR N 1.0 1.8 3.3 3 3 A 14 VAL H A 29 GLN O 1.0 1.8 2.2 4 4 A 29 GLN O A 14 VAL N 1.0 1.8 3.3 5 5 A 16 ILE H A 27 TRP O 1.0 1.8 2.2 6 6 A 27 TRP O A 16 ILE N 1.0 1.8 3.3 7 7 A 25 VAL H A 18 LYS O 1.0 1.8 2.2 8 8 A 18 LYS O A 25 VAL N 1.0 1.8 3.3 9 9 A 27 TRP H A 16 ILE O 1.0 1.8 2.2 10 10 A 16 ILE O A 27 TRP N 1.0 1.8 3.3 11 11 A 29 GLN H A 14 VAL O 1.0 1.8 2.2 12 12 A 14 VAL O A 29 GLN N 1.0 1.8 3.3 13 13 A 30 LEU H A 42 SER O 1.0 1.8 2.2 14 14 A 42 SER O A 30 LEU N 1.0 1.8 3.3 15 15 A 31 ARG H A 12 TYR O 1.0 1.8 2.2 16 16 A 12 TYR O A 31 ARG N 1.0 1.8 3.3 17 17 A 41 ILE H A 30 LEU O 1.0 1.8 2.2 18 18 A 30 LEU O A 41 ILE N 1.0 1.8 3.3 19 19 A 44 HIS H A 28 TYR O 1.0 1.8 2.2 20 20 A 28 TYR O A 44 HIS N 1.0 1.8 3.3 21 21 A 51 MET H A 47 ALA O 1.0 1.8 2.2 22 22 A 47 ALA O A 51 MET N 1.0 1.8 3.3 23 23 A 52 ASP H A 48 GLN O 1.0 1.8 2.2 24 24 A 48 GLN O A 52 ASP N 1.0 1.8 3.3 25 25 A 54 LYS H A 50 ALA O 1.0 1.8 2.2 26 26 A 50 ALA O A 54 LYS N 1.0 1.8 3.3 27 27 A 55 LYS H A 51 MET O 1.0 1.8 2.2 28 28 A 51 MET O A 55 LYS N 1.0 1.8 3.3 29 29 A 57 TYR H A 53 ALA O 1.0 1.8 2.2 30 30 A 53 ALA O A 57 TYR N 1.0 1.8 3.3 31 31 A 58 GLU H A 54 LYS O 1.0 1.8 2.2 32 32 A 54 LYS O A 58 GLU N 1.0 1.8 3.3 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 9 ARG C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -151.1 -86.2 PHI 2 2 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 ALA N 1.0 109.5 165.2 PSI 3 3 A 10 GLU C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -145.5 -93.7 PHI 4 4 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 TYR N 1.0 117.1 185.3 PSI 5 5 A 11 ALA C A 12 TYR N A 12 TYR CA A 12 TYR C 1.0 -186.3 -104.2 PHI 6 6 A 12 TYR N A 12 TYR CA A 12 TYR C A 13 ILE N 1.0 138.9 181.9 PSI 7 7 A 12 TYR C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -144.5 -77.7 PHI 8 8 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 VAL N 1.0 106.5 163.0 PSI 9 9 A 13 ILE C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -148.4 -106.6 PHI 10 10 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 THR N 1.0 122.0 177.2 PSI 11 11 A 14 VAL C A 15 THR N A 15 THR CA A 15 THR C 1.0 -154.1 -87.3 PHI 12 12 A 15 THR N A 15 THR CA A 15 THR C A 16 ILE N 1.0 113.6 167.6 PSI 13 13 A 15 THR C A 16 ILE N A 16 ILE CA A 16 ILE C 1.0 -152.1 -113.3 PHI 14 14 A 16 ILE N A 16 ILE CA A 16 ILE C A 17 GLU N 1.0 130.8 175.5 PSI 15 15 A 16 ILE C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -142.3 -84.5 PHI 16 16 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 LYS N 1.0 103.9 158.6 PSI 17 17 A 17 GLU C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -150.1 -105.2 PHI 18 18 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 GLY N 1.0 120.5 177.8 PSI 19 19 A 18 LYS C A 19 GLY N A 19 GLY CA A 19 GLY C 1.0 65.3 99.7 PHI 20 20 A 19 GLY N A 19 GLY CA A 19 GLY C A 20 LYS N 1.0 110.7 222.4 PSI 21 21 A 19 GLY C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -125.6 -40.6 PHI 22 22 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 PRO N 1.0 90.4 192.3 PSI 23 23 A 22 GLY C A 23 GLN N A 23 GLN CA A 23 GLN C 1.0 -99.2 -64.7 PHI 24 24 A 23 GLN N A 23 GLN CA A 23 GLN C A 24 THR N 1.0 61.1 218.5 PSI 25 25 A 23 GLN C A 24 THR N A 24 THR CA A 24 THR C 1.0 -177.9 -69.2 PHI 26 26 A 24 THR N A 24 THR CA A 24 THR C A 25 VAL N 1.0 116.8 174.1 PSI 27 27 A 24 THR C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -145.1 -109.6 PHI 28 28 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 THR N 1.0 105.4 166.5 PSI 29 29 A 25 VAL C A 26 THR N A 26 THR CA A 26 THR C 1.0 -120.0 -52.6 PHI 30 30 A 26 THR N A 26 THR CA A 26 THR C A 27 TRP N 1.0 115.9 152.0 PSI 31 31 A 26 THR C A 27 TRP N A 27 TRP CA A 27 TRP C 1.0 -172.7 -82.4 PHI 32 32 A 27 TRP N A 27 TRP CA A 27 TRP C A 28 TYR N 1.0 131.7 188.9 PSI 33 33 A 27 TRP C A 28 TYR N A 28 TYR CA A 28 TYR C 1.0 -149.4 -63.0 PHI 34 34 A 28 TYR N A 28 TYR CA A 28 TYR C A 29 GLN N 1.0 115.9 167.8 PSI 35 35 A 28 TYR C A 29 GLN N A 29 GLN CA A 29 GLN C 1.0 -145.1 -76.0 PHI 36 36 A 29 GLN N A 29 GLN CA A 29 GLN C A 30 LEU N 1.0 104.1 143.7 PSI 37 37 A 29 GLN C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -151.8 -67.1 PHI 38 38 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 ARG N 1.0 104.2 153.4 PSI 39 39 A 30 LEU C A 31 ARG N A 31 ARG CA A 31 ARG C 1.0 -143.9 -103.2 PHI 40 40 A 31 ARG N A 31 ARG CA A 31 ARG C A 32 ALA N 1.0 134.4 179.6 PSI 41 41 A 31 ARG C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -177.4 -110.4 PHI 42 42 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 ASP N 1.0 140.4 180.3 PSI 43 43 A 33 ASP C A 34 HIS N A 34 HIS CA A 34 HIS C 1.0 -167.4 -92.9 PHI 44 44 A 34 HIS N A 34 HIS CA A 34 HIS C A 35 PRO N 1.0 31.5 211.4 PSI 45 45 A 35 PRO C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -155.5 -55.5 PHI 46 46 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 PRO N 1.0 82.1 204.6 PSI 47 47 A 37 PRO C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -110.1 -46.0 PHI 48 48 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 SER N 1.0 -65.7 24.3 PSI 49 49 A 39 SER C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -123.5 -47.8 PHI 50 50 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 ILE N 1.0 92.9 150.6 PSI 51 51 A 40 LEU C A 41 ILE N A 41 ILE CA A 41 ILE C 1.0 -114.1 -62.9 PHI 52 52 A 41 ILE N A 41 ILE CA A 41 ILE C A 42 SER N 1.0 -53.6 -18.5 PSI 53 53 A 41 ILE C A 42 SER N A 42 SER CA A 42 SER C 1.0 -181.7 -151.1 PHI 54 54 A 42 SER N A 42 SER CA A 42 SER C A 43 GLU N 1.0 150.2 175.8 PSI 55 55 A 42 SER C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -182.7 -81.3 PHI 56 56 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 HIS N 1.0 119.5 185.9 PSI 57 57 A 43 GLU C A 44 HIS N A 44 HIS CA A 44 HIS C 1.0 -170.5 -92.6 PHI 58 58 A 44 HIS N A 44 HIS CA A 44 HIS C A 45 PRO N 1.0 84.0 181.7 PSI 59 59 A 45 PRO C A 46 THR N A 46 THR CA A 46 THR C 1.0 -175.0 -79.9 PHI 60 60 A 46 THR N A 46 THR CA A 46 THR C A 47 ALA N 1.0 142.4 179.4 PSI 61 61 A 46 THR C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -84.3 -48.2 PHI 62 62 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 GLN N 1.0 -57.1 -16.2 PSI 63 63 A 47 ALA C A 48 GLN N A 48 GLN CA A 48 GLN C 1.0 -73.9 -53.9 PHI 64 64 A 48 GLN N A 48 GLN CA A 48 GLN C A 49 GLU N 1.0 -54.3 -25.1 PSI 65 65 A 48 GLN C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -76.5 -56.5 PHI 66 66 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 ALA N 1.0 -53.5 -25.6 PSI 67 67 A 49 GLU C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -78.5 -51.3 PHI 68 68 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 MET N 1.0 -56.4 -24.0 PSI 69 69 A 50 ALA C A 51 MET N A 51 MET CA A 51 MET C 1.0 -80.0 -54.5 PHI 70 70 A 51 MET N A 51 MET CA A 51 MET C A 52 ASP N 1.0 -54.4 -20.7 PSI 71 71 A 51 MET C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -78.7 -50.8 PHI 72 72 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 ALA N 1.0 -52.0 -32.0 PSI 73 73 A 52 ASP C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -75.2 -55.2 PHI 74 74 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 LYS N 1.0 -47.6 -27.6 PSI 75 75 A 53 ALA C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -74.1 -54.1 PHI 76 76 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 LYS N 1.0 -57.6 -37.6 PSI 77 77 A 54 LYS C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -68.3 -48.3 PHI 78 78 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 ARG N 1.0 -58.4 -26.5 PSI 79 79 A 55 LYS C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -79.9 -56.2 PHI 80 80 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 TYR N 1.0 -50.8 -26.4 PSI 81 81 A 56 ARG C A 57 TYR N A 57 TYR CA A 57 TYR C 1.0 -92.4 -49.0 PHI 82 82 A 57 TYR N A 57 TYR CA A 57 TYR C A 58 GLU N 1.0 -55.0 -27.1 PSI 83 83 A 57 TYR C A 58 GLU N A 58 GLU CA A 58 GLU C 1.0 -107.3 -58.6 PHI 84 84 A 58 GLU N A 58 GLU CA A 58 GLU C A 59 ASP N 1.0 -49.0 18.5 PSI 85 85 A 58 GLU C A 59 ASP N A 59 ASP CA A 59 ASP C 1.0 -152.1 -41.0 PHI 86 86 A 59 ASP N A 59 ASP CA A 59 ASP C A 60 PRO N 1.0 34.3 172.1 PSI stop_ save_