data_nef_c18299_2lq9 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 LYS middle . . 4 A 4 HIS middle . . 5 A 5 GLU middle . . 6 A 6 PHE middle . . 7 A 7 SER middle . . 8 A 8 VAL middle . . 9 A 9 ASP middle . . 10 A 10 MET middle . . 11 A 11 THR middle . . 12 A 12 CYS middle . . 13 A 13 GLY middle . false 14 A 14 GLY middle . false 15 A 15 CYS middle . . 16 A 16 ALA middle . . 17 A 17 GLU middle . . 18 A 18 ALA middle . . 19 A 19 VAL middle . . 20 A 20 SER middle . . 21 A 21 ARG middle . . 22 A 22 VAL middle . . 23 A 23 LEU middle . . 24 A 24 ASN middle . . 25 A 25 LYS middle . . 26 A 26 LEU middle . . 27 A 27 GLY middle . false 28 A 28 GLY middle . false 29 A 29 VAL middle . . 30 A 30 LYS middle . . 31 A 31 TYR middle . . 32 A 32 ASP middle . . 33 A 33 ILE middle . . 34 A 34 ASP middle . . 35 A 35 LEU middle . . 36 A 36 PRO middle . false 37 A 37 ASN middle . . 38 A 38 LYS middle . . 39 A 39 LYS middle . . 40 A 40 VAL middle . . 41 A 41 CYS middle . . 42 A 42 ILE middle . . 43 A 43 GLU middle . . 44 A 44 SER middle . . 45 A 45 GLU middle . . 46 A 46 HIS middle . . 47 A 47 SER middle . . 48 A 48 MET middle . . 49 A 49 ASP middle . . 50 A 50 THR middle . . 51 A 51 LEU middle . . 52 A 52 LEU middle . . 53 A 53 ALA middle . . 54 A 54 THR middle . . 55 A 55 LEU middle . . 56 A 56 LYS middle . . 57 A 57 LYS middle . . 58 A 58 THR middle . . 59 A 59 GLY middle . false 60 A 60 ALA middle . . 61 A 61 THR middle . . 62 A 62 VAL middle . . 63 A 63 SER middle . . 64 A 64 TYR middle . . 65 A 65 LEU middle . . 66 A 66 GLY middle . false 67 A 67 LEU middle . . 68 A 68 GLU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H1 H 1 8.429 . A 1 MET CA C 13 53.697 . A 1 MET CB C 13 33.203 . A 1 MET N N 15 121.829 . A 2 PRO HA H 1 4.253 . A 2 PRO HBy H 1 2.140 . A 2 PRO HBx H 1 1.789 . A 2 PRO HDy H 1 3.889 . A 2 PRO HDx H 1 3.683 . A 2 PRO HGx H 1 1.995 . A 2 PRO C C 13 174.299 . A 2 PRO CA C 13 63.335 . A 2 PRO CB C 13 32.633 . A 2 PRO CD C 13 50.663 . A 2 PRO CG C 13 27.705 . A 3 LYS H H 1 8.038 . A 3 LYS HA H 1 4.934 . A 3 LYS HBx H 1 1.665 . A 3 LYS HDx H 1 1.409 . A 3 LYS HEx H 1 2.931 . A 3 LYS HGx H 1 1.182 . A 3 LYS C C 13 175.055 . A 3 LYS CA C 13 54.894 . A 3 LYS CB C 13 34.382 . A 3 LYS CD C 13 29.319 . A 3 LYS CG C 13 25.194 . A 3 LYS N N 15 121.020 . A 4 HIS H H 1 8.908 . A 4 HIS HA H 1 4.959 . A 4 HIS HBx H 1 3.115 . A 4 HIS HD1 H 1 6.729 . A 4 HIS HD2 H 1 7.105 . A 4 HIS C C 13 174.771 . A 4 HIS CA C 13 56.042 . A 4 HIS CB C 13 35.244 . A 4 HIS N N 15 122.815 . A 5 GLU H H 1 8.951 . A 5 GLU HA H 1 5.293 . A 5 GLU HBy H 1 1.897 . A 5 GLU HBx H 1 1.817 . A 5 GLU HGy H 1 2.300 . A 5 GLU HGx H 1 2.116 . A 5 GLU C C 13 174.389 . A 5 GLU CA C 13 55.848 . A 5 GLU CB C 13 32.742 . A 5 GLU CG C 13 36.583 . A 5 GLU N N 15 122.404 . A 6 PHE H H 1 9.075 . A 6 PHE HA H 1 5.185 . A 6 PHE HBy H 1 2.882 . A 6 PHE HBx H 1 2.706 . A 6 PHE HDx H 1 7.125 . A 6 PHE C C 13 175.130 . A 6 PHE CA C 13 56.746 . A 6 PHE CB C 13 42.682 . A 6 PHE N N 15 119.234 . A 7 SER H H 1 9.346 . A 7 SER HA H 1 5.322 . A 7 SER HBx H 1 3.936 . A 7 SER C C 13 174.651 . A 7 SER CA C 13 56.636 . A 7 SER CB C 13 63.983 . A 7 SER N N 15 118.028 . A 8 VAL H H 1 8.129 . A 8 VAL HA H 1 4.683 . A 8 VAL HB H 1 1.764 . A 8 VAL HGx% H 1 0.645 . A 8 VAL HGy% H 1 0.863 . A 8 VAL C C 13 174.360 . A 8 VAL CA C 13 61.020 . A 8 VAL CB C 13 35.221 . A 8 VAL CGy C 13 21.110 . A 8 VAL N N 15 125.476 . A 9 ASP H H 1 8.285 . A 9 ASP HA H 1 4.696 . A 9 ASP HBy H 1 3.025 . A 9 ASP HBx H 1 2.575 . A 9 ASP C C 13 175.278 . A 9 ASP CA C 13 54.011 . A 9 ASP CB C 13 40.521 . A 9 ASP N N 15 124.989 . A 10 MET H H 1 8.096 . A 10 MET HA H 1 4.712 . A 10 MET HBx H 1 2.005 . A 10 MET HGx H 1 2.263 . A 10 MET HGy H 1 2.412 . A 10 MET C C 13 175.748 . A 10 MET CA C 13 54.825 . A 10 MET CB C 13 34.030 . A 10 MET CG C 13 30.216 . A 10 MET N N 15 125.927 . A 11 THR H H 1 8.886 . A 11 THR HA H 1 4.326 . A 11 THR HB H 1 4.193 . A 11 THR HG2% H 1 1.228 . A 11 THR C C 13 174.832 . A 11 THR CA C 13 63.908 . A 11 THR CB C 13 69.529 . A 11 THR CG2 C 13 21.517 . A 11 THR N N 15 116.339 . A 12 CYS H H 1 8.183 . A 12 CYS HA H 1 4.795 . A 12 CYS HBy H 1 3.204 . A 12 CYS HBx H 1 3.048 . A 12 CYS C C 13 174.892 . A 12 CYS CA C 13 57.615 . A 12 CYS CB C 13 29.481 . A 12 CYS N N 15 117.534 . A 13 GLY H H 1 8.737 . A 13 GLY HAy H 1 4.040 . A 13 GLY HAx H 1 3.915 . A 13 GLY C C 13 175.328 . A 13 GLY CA C 13 46.581 . A 13 GLY N N 15 110.516 . A 14 GLY H H 1 8.677 . A 14 GLY HAx H 1 4.056 . A 14 GLY C C 13 175.741 . A 14 GLY CA C 13 46.006 . A 14 GLY N N 15 110.521 . A 15 CYS H H 1 7.853 . A 15 CYS HA H 1 4.363 . A 15 CYS HBy H 1 3.220 . A 15 CYS HBx H 1 2.998 . A 15 CYS C C 13 176.557 . A 15 CYS CA C 13 61.356 . A 15 CYS CB C 13 28.522 . A 15 CYS N N 15 121.304 . A 16 ALA H H 1 8.196 . A 16 ALA HA H 1 4.022 . A 16 ALA HB% H 1 1.607 . A 16 ALA C C 13 180.089 . A 16 ALA CA C 13 55.794 . A 16 ALA CB C 13 18.282 . A 16 ALA N N 15 121.907 . A 17 GLU H H 1 8.518 . A 17 GLU HA H 1 4.065 . A 17 GLU HBy H 1 2.171 . A 17 GLU HBx H 1 2.079 . A 17 GLU HGx H 1 2.375 . A 17 GLU C C 13 178.541 . A 17 GLU CA C 13 59.680 . A 17 GLU CB C 13 29.181 . A 17 GLU CG C 13 36.045 . A 17 GLU N N 15 118.976 . A 18 ALA H H 1 7.863 . A 18 ALA HA H 1 4.089 . A 18 ALA HB% H 1 1.578 . A 18 ALA C C 13 179.665 . A 18 ALA CA C 13 55.084 . A 18 ALA CB C 13 18.145 . A 18 ALA N N 15 122.909 . A 19 VAL H H 1 7.989 . A 19 VAL HA H 1 3.297 . A 19 VAL HB H 1 2.261 . A 19 VAL HGx% H 1 0.603 . A 19 VAL HGy% H 1 1.011 . A 19 VAL C C 13 176.602 . A 19 VAL CA C 13 66.301 . A 19 VAL CB C 13 31.471 . A 19 VAL CGx C 13 21.587 . A 19 VAL CGy C 13 23.015 . A 19 VAL N N 15 118.050 . A 20 SER H H 1 7.808 . A 20 SER HA H 1 4.086 . A 20 SER HBx H 1 3.817 . A 20 SER C C 13 175.600 . A 20 SER CA C 13 62.064 . A 20 SER CB C 13 62.443 . A 20 SER N N 15 113.425 . A 21 ARG H H 1 8.086 . A 21 ARG HA H 1 4.004 . A 21 ARG HBx H 1 1.945 . A 21 ARG HDx H 1 3.259 . A 21 ARG HGy H 1 1.794 . A 21 ARG HGx H 1 1.551 . A 21 ARG C C 13 180.231 . A 21 ARG CA C 13 60.070 . A 21 ARG CB C 13 30.476 . A 21 ARG CD C 13 43.220 . A 21 ARG CG C 13 27.257 . A 21 ARG N N 15 119.858 . A 22 VAL H H 1 7.943 . A 22 VAL HA H 1 4.022 . A 22 VAL HB H 1 2.100 . A 22 VAL HGy% H 1 1.000 . A 22 VAL C C 13 179.211 . A 22 VAL CA C 13 64.946 . A 22 VAL CB C 13 30.663 . A 22 VAL CGx C 13 19.311 . A 22 VAL CGy C 13 21.487 . A 22 VAL N N 15 112.224 . A 23 LEU H H 1 7.692 . A 23 LEU HA H 1 3.986 . A 23 LEU HBy H 1 1.349 . A 23 LEU HBx H 1 0.907 . A 23 LEU HDx% H 1 0.523 . A 23 LEU HDy% H 1 -0.003 . A 23 LEU C C 13 178.347 . A 23 LEU CA C 13 57.249 . A 23 LEU CB C 13 40.850 . A 23 LEU CDx C 13 21.428 . A 23 LEU CG C 13 25.373 . A 23 LEU N N 15 122.146 . A 24 ASN H H 1 8.683 . A 24 ASN HA H 1 4.529 . A 24 ASN HBy H 1 3.029 . A 24 ASN HBx H 1 2.889 . A 24 ASN HD2y H 1 7.726 . A 24 ASN HD2x H 1 7.204 . A 24 ASN C C 13 178.060 . A 24 ASN CA C 13 55.606 . A 24 ASN CB C 13 37.192 . A 24 ASN N N 15 118.578 . A 24 ASN ND2 N 15 112.574 . A 25 LYS H H 1 7.469 . A 25 LYS HA H 1 4.064 . A 25 LYS HBx H 1 1.869 . A 25 LYS HDx H 1 1.664 . A 25 LYS HEx H 1 2.990 . A 25 LYS HGx H 1 1.517 . A 25 LYS C C 13 177.770 . A 25 LYS CA C 13 58.245 . A 25 LYS CB C 13 32.186 . A 25 LYS CD C 13 28.871 . A 25 LYS CE C 13 41.605 . A 25 LYS CG C 13 24.656 . A 25 LYS N N 15 118.395 . A 26 LEU H H 1 7.209 . A 26 LEU HA H 1 4.091 . A 26 LEU HBy H 1 1.897 . A 26 LEU HBx H 1 1.509 . A 26 LEU HDx% H 1 0.465 . A 26 LEU HG H 1 1.736 . A 26 LEU C C 13 178.609 . A 26 LEU CA C 13 57.742 . A 26 LEU CB C 13 42.191 . A 26 LEU CDy C 13 25.559 . A 26 LEU CDx C 13 22.139 . A 26 LEU N N 15 121.105 . A 27 GLY H H 1 7.691 . A 27 GLY HAy H 1 4.367 . A 27 GLY HAx H 1 3.991 . A 27 GLY C C 13 173.508 . A 27 GLY CA C 13 44.233 . A 27 GLY N N 15 104.036 . A 28 GLY H H 1 8.603 . A 28 GLY HAx H 1 3.974 . A 28 GLY C C 13 175.737 . A 28 GLY CA C 13 47.618 . A 28 GLY N N 15 106.538 . A 29 VAL H H 1 7.974 . A 29 VAL HA H 1 4.949 . A 29 VAL HB H 1 2.078 . A 29 VAL HGx% H 1 0.982 . A 29 VAL HGy% H 1 1.097 . A 29 VAL C C 13 174.487 . A 29 VAL CA C 13 59.738 . A 29 VAL CB C 13 36.514 . A 29 VAL CGx C 13 19.903 . A 29 VAL CGy C 13 23.221 . A 29 VAL N N 15 112.116 . A 30 LYS H H 1 8.370 . A 30 LYS HA H 1 4.648 . A 30 LYS HBy H 1 1.897 . A 30 LYS HBx H 1 1.841 . A 30 LYS HDx H 1 1.666 . A 30 LYS HEx H 1 2.922 . A 30 LYS HGy H 1 1.470 . A 30 LYS HGx H 1 1.390 . A 30 LYS C C 13 174.964 . A 30 LYS CA C 13 56.003 . A 30 LYS CB C 13 34.639 . A 30 LYS CD C 13 29.230 . A 30 LYS CE C 13 42.413 . A 30 LYS CG C 13 24.657 . A 30 LYS N N 15 124.568 . A 31 TYR H H 1 8.531 . A 31 TYR HA H 1 5.984 . A 31 TYR HBx H 1 2.725 . A 31 TYR HDx H 1 6.633 . A 31 TYR C C 13 172.758 . A 31 TYR CA C 13 55.124 . A 31 TYR CB C 13 42.781 . A 31 TYR N N 15 121.504 . A 32 ASP H H 1 8.750 . A 32 ASP HA H 1 4.992 . A 32 ASP HBy H 1 2.675 . A 32 ASP HBx H 1 2.530 . A 32 ASP C C 13 174.839 . A 32 ASP CA C 13 53.283 . A 32 ASP CB C 13 44.851 . A 32 ASP N N 15 119.262 . A 33 ILE H H 1 9.001 . A 33 ILE HA H 1 4.359 . A 33 ILE HB H 1 1.949 . A 33 ILE HD1% H 1 0.906 . A 33 ILE HG1x H 1 1.859 . A 33 ILE HG2% H 1 0.993 . A 33 ILE C C 13 173.855 . A 33 ILE CA C 13 61.932 . A 33 ILE CB C 13 39.634 . A 33 ILE CD1 C 13 14.432 . A 33 ILE CG1 C 13 28.064 . A 33 ILE CG2 C 13 17.482 . A 33 ILE N N 15 124.951 . A 34 ASP H H 1 9.033 . A 34 ASP HA H 1 4.975 . A 34 ASP HBy H 1 3.005 . A 34 ASP HBx H 1 2.531 . A 34 ASP C C 13 175.761 . A 34 ASP CA C 13 51.809 . A 34 ASP CB C 13 41.241 . A 34 ASP N N 15 130.202 . A 35 LEU H H 1 8.888 . A 35 LEU HA H 1 4.310 . A 35 LEU HDx% H 1 0.909 . A 35 LEU CA C 13 59.862 . A 35 LEU CB C 13 39.352 . A 35 LEU N N 15 123.830 . A 36 PRO HA H 1 4.296 . A 36 PRO HBy H 1 2.355 . A 36 PRO HBx H 1 1.770 . A 36 PRO HDx H 1 3.847 . A 36 PRO HGx H 1 2.003 . A 36 PRO HGy H 1 2.192 . A 36 PRO C C 13 177.959 . A 36 PRO CA C 13 66.386 . A 36 PRO CB C 13 31.493 . A 36 PRO CD C 13 49.856 . A 36 PRO CG C 13 27.884 . A 37 ASN H H 1 7.255 . A 37 ASN HA H 1 4.899 . A 37 ASN HBy H 1 2.807 . A 37 ASN HBx H 1 2.381 . A 37 ASN HD2y H 1 9.185 . A 37 ASN HD2x H 1 6.951 . A 37 ASN C C 13 172.880 . A 37 ASN CA C 13 52.608 . A 37 ASN CB C 13 38.545 . A 37 ASN N N 15 110.308 . A 37 ASN ND2 N 15 119.164 . A 38 LYS H H 1 8.328 . A 38 LYS HA H 1 3.832 . A 38 LYS HBy H 1 2.269 . A 38 LYS HBx H 1 2.011 . A 38 LYS HDx H 1 1.715 . A 38 LYS HEx H 1 3.040 . A 38 LYS HGx H 1 1.522 . A 38 LYS C C 13 175.375 . A 38 LYS CA C 13 58.228 . A 38 LYS CB C 13 29.452 . A 38 LYS CE C 13 42.323 . A 38 LYS CG C 13 25.553 . A 38 LYS N N 15 119.648 . A 39 LYS H H 1 8.203 . A 39 LYS HA H 1 5.654 . A 39 LYS HBx H 1 1.777 . A 39 LYS HDx H 1 1.474 . A 39 LYS HEx H 1 2.808 . A 39 LYS HGx H 1 1.296 . A 39 LYS C C 13 174.797 . A 39 LYS CA C 13 54.904 . A 39 LYS CB C 13 37.619 . A 39 LYS CD C 13 29.499 . A 39 LYS CE C 13 41.695 . A 39 LYS CG C 13 24.566 . A 39 LYS N N 15 116.950 . A 40 VAL H H 1 9.115 . A 40 VAL HA H 1 4.974 . A 40 VAL HB H 1 1.897 . A 40 VAL HGy% H 1 0.931 . A 40 VAL C C 13 173.992 . A 40 VAL CA C 13 60.691 . A 40 VAL CB C 13 35.817 . A 40 VAL CGx C 13 20.531 . A 40 VAL CGy C 13 22.414 . A 40 VAL N N 15 121.279 . A 41 CYS H H 1 8.767 . A 41 CYS HA H 1 5.635 . A 41 CYS HBy H 1 3.100 . A 41 CYS HBx H 1 2.973 . A 41 CYS C C 13 174.839 . A 41 CYS CA C 13 56.971 . A 41 CYS CB C 13 29.139 . A 41 CYS N N 15 126.779 . A 42 ILE H H 1 9.697 . A 42 ILE HA H 1 4.979 . A 42 ILE HB H 1 2.038 . A 42 ILE HD1% H 1 0.841 . A 42 ILE HG1y H 1 1.833 . A 42 ILE HG1x H 1 1.115 . A 42 ILE HG2% H 1 0.957 . A 42 ILE C C 13 174.113 . A 42 ILE CA C 13 61.229 . A 42 ILE CB C 13 42.439 . A 42 ILE CD1 C 13 16.206 . A 42 ILE CG1 C 13 28.153 . A 42 ILE CG2 C 13 18.968 . A 42 ILE N N 15 125.941 . A 43 GLU H H 1 9.510 . A 43 GLU HA H 1 5.456 . A 43 GLU HBy H 1 2.111 . A 43 GLU HBx H 1 1.942 . A 43 GLU HGy H 1 2.207 . A 43 GLU HGx H 1 2.079 . A 43 GLU C C 13 176.185 . A 43 GLU CA C 13 54.885 . A 43 GLU CB C 13 32.026 . A 43 GLU CG C 13 36.314 . A 43 GLU N N 15 130.488 . A 44 SER H H 1 8.681 . A 44 SER HA H 1 4.868 . A 44 SER HBy H 1 4.398 . A 44 SER HBx H 1 3.815 . A 44 SER C C 13 173.026 . A 44 SER CA C 13 59.104 . A 44 SER CB C 13 66.159 . A 44 SER N N 15 119.391 . A 45 GLU H H 1 9.026 . A 45 GLU HA H 1 4.554 . A 45 GLU HBy H 1 2.236 . A 45 GLU HBx H 1 1.785 . A 45 GLU HGy H 1 2.339 . A 45 GLU HGx H 1 2.225 . A 45 GLU C C 13 177.473 . A 45 GLU CA C 13 56.207 . A 45 GLU CB C 13 29.851 . A 45 GLU CG C 13 36.404 . A 45 GLU N N 15 121.420 . A 46 HIS H H 1 8.423 . A 46 HIS HA H 1 4.643 . A 46 HIS HBx H 1 2.878 . A 46 HIS C C 13 175.514 . A 46 HIS CA C 13 56.915 . A 46 HIS CB C 13 31.725 . A 46 HIS N N 15 119.653 . A 47 SER H H 1 9.093 . A 47 SER HA H 1 4.349 . A 47 SER HBx H 1 4.177 . A 47 SER C C 13 174.638 . A 47 SER CA C 13 57.438 . A 47 SER CB C 13 65.022 . A 47 SER N N 15 116.562 . A 48 MET H H 1 8.920 . A 48 MET HA H 1 3.412 . A 48 MET HBy H 1 1.761 . A 48 MET HBx H 1 1.473 . A 48 MET HGx H 1 1.617 . A 48 MET C C 13 177.797 . A 48 MET CA C 13 60.298 . A 48 MET CB C 13 30.776 . A 48 MET N N 15 121.402 . A 49 ASP H H 1 8.345 . A 49 ASP HA H 1 4.202 . A 49 ASP HBx H 1 2.545 . A 49 ASP C C 13 179.291 . A 49 ASP CA C 13 57.555 . A 49 ASP CB C 13 40.852 . A 49 ASP N N 15 116.251 . A 50 THR H H 1 8.019 . A 50 THR HA H 1 4.305 . A 50 THR HB H 1 3.901 . A 50 THR HG1 H 1 4.794 . A 50 THR HG2% H 1 0.961 . A 50 THR C C 13 177.416 . A 50 THR CA C 13 66.392 . A 50 THR CB C 13 68.452 . A 50 THR CG2 C 13 21.517 . A 50 THR N N 15 120.023 . A 51 LEU H H 1 8.043 . A 51 LEU HA H 1 3.508 . A 51 LEU HBy H 1 2.049 . A 51 LEU HBx H 1 0.859 . A 51 LEU HDx% H 1 0.675 . A 51 LEU HG H 1 1.741 . A 51 LEU C C 13 177.386 . A 51 LEU CA C 13 58.463 . A 51 LEU CB C 13 42.368 . A 51 LEU N N 15 124.562 . A 52 LEU H H 1 8.993 . A 52 LEU HA H 1 3.546 . A 52 LEU HBy H 1 1.923 . A 52 LEU HBx H 1 1.763 . A 52 LEU HDx% H 1 1.016 . A 52 LEU HG H 1 1.588 . A 52 LEU C C 13 178.065 . A 52 LEU CA C 13 58.471 . A 52 LEU CB C 13 42.701 . A 52 LEU CDy C 13 25.387 . A 52 LEU CDx C 13 23.799 . A 52 LEU N N 15 120.718 . A 53 ALA H H 1 7.859 . A 53 ALA HA H 1 3.913 . A 53 ALA HB% H 1 1.452 . A 53 ALA C C 13 180.677 . A 53 ALA CA C 13 55.035 . A 53 ALA CB C 13 18.169 . A 53 ALA N N 15 118.641 . A 54 THR H H 1 7.688 . A 54 THR HA H 1 3.662 . A 54 THR HB H 1 4.094 . A 54 THR HG2% H 1 0.979 . A 54 THR C C 13 175.694 . A 54 THR CA C 13 67.449 . A 54 THR CB C 13 68.226 . A 54 THR CG2 C 13 20.889 . A 54 THR N N 15 114.407 . A 55 LEU H H 1 8.104 . A 55 LEU HA H 1 3.802 . A 55 LEU HBy H 1 1.733 . A 55 LEU HBx H 1 1.003 . A 55 LEU HDx% H 1 0.548 . A 55 LEU HDy% H 1 -0.147 . A 55 LEU HG H 1 1.371 . A 55 LEU C C 13 179.660 . A 55 LEU CA C 13 57.851 . A 55 LEU CB C 13 43.007 . A 55 LEU CDy C 13 24.471 . A 55 LEU CDx C 13 23.319 . A 55 LEU N N 15 119.491 . A 56 LYS H H 1 8.333 . A 56 LYS HA H 1 3.969 . A 56 LYS HBy H 1 1.987 . A 56 LYS HBx H 1 1.814 . A 56 LYS HDx H 1 1.696 . A 56 LYS HEy H 1 3.046 . A 56 LYS HEx H 1 2.864 . A 56 LYS HGx H 1 1.506 . A 56 LYS C C 13 179.227 . A 56 LYS CA C 13 59.776 . A 56 LYS CB C 13 32.222 . A 56 LYS CD C 13 29.768 . A 56 LYS CG C 13 27.218 . A 56 LYS N N 15 119.317 . A 57 LYS H H 1 7.646 . A 57 LYS HA H 1 4.162 . A 57 LYS HBy H 1 2.141 . A 57 LYS HBx H 1 1.986 . A 57 LYS HDx H 1 1.886 . A 57 LYS HEx H 1 2.956 . A 57 LYS HGy H 1 1.728 . A 57 LYS HGx H 1 1.510 . A 57 LYS C C 13 178.128 . A 57 LYS CA C 13 59.083 . A 57 LYS CB C 13 32.452 . A 57 LYS CD C 13 29.588 . A 57 LYS CE C 13 41.785 . A 57 LYS CG C 13 25.284 . A 57 LYS N N 15 120.188 . A 58 THR H H 1 7.483 . A 58 THR HA H 1 4.277 . A 58 THR HB H 1 4.088 . A 58 THR HG2% H 1 1.258 . A 58 THR C C 13 175.933 . A 58 THR CA C 13 63.742 . A 58 THR CB C 13 71.108 . A 58 THR CG2 C 13 21.697 . A 58 THR N N 15 106.563 . A 59 GLY H H 1 7.774 . A 59 GLY HAy H 1 4.312 . A 59 GLY HAx H 1 3.724 . A 59 GLY C C 13 173.171 . A 59 GLY CA C 13 44.991 . A 59 GLY N N 15 108.569 . A 60 ALA H H 1 7.524 . A 60 ALA HA H 1 4.506 . A 60 ALA HB% H 1 1.125 . A 60 ALA C C 13 177.155 . A 60 ALA CA C 13 51.055 . A 60 ALA CB C 13 20.308 . A 60 ALA N N 15 122.420 . A 61 THR H H 1 8.491 . A 61 THR HA H 1 4.321 . A 61 THR HB H 1 4.098 . A 61 THR HG2% H 1 1.264 . A 61 THR C C 13 174.635 . A 61 THR CA C 13 63.922 . A 61 THR CB C 13 68.904 . A 61 THR CG2 C 13 21.697 . A 61 THR N N 15 117.690 . A 62 VAL H H 1 8.709 . A 62 VAL HA H 1 5.314 . A 62 VAL HB H 1 1.794 . A 62 VAL HGx% H 1 0.784 . A 62 VAL HGy% H 1 0.983 . A 62 VAL C C 13 174.947 . A 62 VAL CA C 13 60.315 . A 62 VAL CB C 13 35.664 . A 62 VAL CGx C 13 21.043 . A 62 VAL CGy C 13 22.717 . A 62 VAL N N 15 129.030 . A 63 SER H H 1 8.988 . A 63 SER HA H 1 4.865 . A 63 SER HBx H 1 3.854 . A 63 SER HBy H 1 3.934 . A 63 SER C C 13 173.019 . A 63 SER CA C 13 57.347 . A 63 SER CB C 13 65.605 . A 63 SER N N 15 119.588 . A 64 TYR H H 1 9.391 . A 64 TYR HA H 1 4.579 . A 64 TYR HBx H 1 2.964 . A 64 TYR C C 13 175.523 . A 64 TYR CA C 13 57.454 . A 64 TYR CB C 13 39.022 . A 64 TYR N N 15 125.400 . A 65 LEU H H 1 8.304 . A 65 LEU HA H 1 4.319 . A 65 LEU HBx H 1 1.362 . A 65 LEU HDx% H 1 0.789 . A 65 LEU HDy% H 1 0.809 . A 65 LEU C C 13 176.473 . A 65 LEU CA C 13 54.677 . A 65 LEU CB C 13 42.058 . A 65 LEU CDy C 13 25.621 . A 65 LEU CDx C 13 22.301 . A 65 LEU CG C 13 26.681 . A 65 LEU N N 15 128.500 . A 66 GLY H H 1 5.977 . A 66 GLY HAy H 1 3.976 . A 66 GLY HAx H 1 3.435 . A 66 GLY C C 13 171.330 . A 66 GLY CA C 13 45.036 . A 66 GLY N N 15 105.737 . A 67 LEU H H 1 7.947 . A 67 LEU HA H 1 4.782 . A 67 LEU HBx H 1 1.620 . A 67 LEU HDx% H 1 0.818 . A 67 LEU HDy% H 1 0.779 . A 67 LEU C C 13 177.339 . A 67 LEU CA C 13 54.376 . A 67 LEU CB C 13 43.881 . A 67 LEU CDy C 13 26.662 . A 67 LEU CDx C 13 24.488 . A 67 LEU N N 15 120.133 . A 68 GLU H H 1 8.297 . A 68 GLU HA H 1 4.050 . A 68 GLU HBy H 1 1.997 . A 68 GLU HBx H 1 1.839 . A 68 GLU HGx H 1 2.197 . A 68 GLU CA C 13 58.359 . A 68 GLU CB C 13 31.428 . A 68 GLU N N 15 128.179 . stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin 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 3 LYS H A 2 PRO HA 1.0 1.8 2.5 2 2 A 3 LYS H A 2 PRO HBx 1.0 1.8 4.5 3 3 A 3 LYS H A 2 PRO HBy 1.0 1.8 4.5 4 4 A 3 LYS H A 2 PRO HGx 1.0 1.8 6.0 5 4 A 3 LYS H A 2 PRO HGy 1.0 1.8 6.0 6 5 A 3 LYS H A 3 LYS HA 1.0 1.8 3.5 7 6 A 3 LYS H A 3 LYS HBx 1.0 1.8 3.5 8 6 A 3 LYS H A 3 LYS HBy 1.0 1.8 3.5 9 7 A 3 LYS H A 3 LYS HDx 1.0 1.8 4.5 10 7 A 3 LYS H A 3 LYS HDy 1.0 1.8 4.5 11 8 A 3 LYS H A 3 LYS HEx 1.0 1.8 6.0 12 8 A 3 LYS H A 3 LYS HEy 1.0 1.8 6.0 13 9 A 3 LYS H A 3 LYS HGx 1.0 1.8 6.0 14 9 A 3 LYS H A 3 LYS HGy 1.0 1.8 6.0 15 10 A 3 LYS H A 43 GLU HA 1.0 1.8 6.0 16 11 A 3 LYS H A 67 LEU HDy% 1.0 1.8 6.0 17 11 A 3 LYS H A 67 LEU HDx% 1.0 1.8 6.0 18 12 A 3 LYS H A 68 GLU H 1.0 1.8 4.5 19 13 A 43 GLU HA A 3 LYS HBx 1.0 1.8 6.0 20 13 A 3 LYS HBy A 43 GLU HA 1.0 1.8 6.0 21 14 A 3 LYS HA A 4 HIS H 1.0 1.8 2.5 22 15 A 4 HIS H A 3 LYS HBx 1.0 1.8 4.5 23 15 A 3 LYS HBy A 4 HIS H 1.0 1.8 4.5 24 16 A 4 HIS H A 3 LYS HDx 1.0 1.8 6.0 25 16 A 3 LYS HDy A 4 HIS H 1.0 1.8 6.0 26 17 A 4 HIS H A 3 LYS HGx 1.0 1.8 6.0 27 17 A 3 LYS HGy A 4 HIS H 1.0 1.8 6.0 28 18 A 3 LYS H A 4 HIS H 1.0 1.8 6.0 29 19 A 4 HIS H A 4 HIS HBx 1.0 1.8 4.5 30 19 A 4 HIS H A 4 HIS HBy 1.0 1.8 4.5 31 20 A 4 HIS H A 4 HIS HD2 1.0 1.8 6.0 32 20 A 4 HIS H A 4 HIS HD1 1.0 1.8 6.0 33 21 A 4 HIS H A 41 CYS HA 1.0 1.8 6.0 34 22 A 4 HIS H A 42 ILE HB 1.0 1.8 6.0 35 23 A 4 HIS H A 42 ILE HD1% 1.0 1.8 6.0 36 24 A 43 GLU HA A 4 HIS H 1.0 1.8 4.5 37 25 A 42 ILE HB A 4 HIS HBx 1.0 1.8 6.0 38 25 A 4 HIS HBy A 42 ILE HB 1.0 1.8 6.0 39 26 A 4 HIS HBy A 67 LEU HDy% 1.0 1.8 6.0 40 26 A 4 HIS HBx A 67 LEU HDy% 1.0 1.8 6.0 41 26 A 67 LEU HDx% A 4 HIS HBx 1.0 1.8 6.0 42 26 A 67 LEU HDx% A 4 HIS HBy 1.0 1.8 6.0 43 27 A 5 GLU H A 4 HIS HA 1.0 1.8 2.5 44 28 A 5 GLU H A 4 HIS HBx 1.0 1.8 6.0 45 28 A 4 HIS HBy A 5 GLU H 1.0 1.8 6.0 46 29 A 5 GLU H A 4 HIS HD2 1.0 1.8 4.5 47 29 A 4 HIS HD1 A 5 GLU H 1.0 1.8 4.5 48 30 A 5 GLU H A 5 GLU HA 1.0 1.8 3.5 49 31 A 5 GLU H A 5 GLU HBx 1.0 1.8 4.5 50 32 A 5 GLU H A 5 GLU HBy 1.0 1.8 4.5 51 33 A 5 GLU H A 5 GLU HGx 1.0 1.8 6.0 52 34 A 5 GLU H A 5 GLU HGy 1.0 1.8 6.0 53 35 A 5 GLU H A 6 PHE HD% 1.0 1.8 6.0 54 36 A 5 GLU H A 64 TYR HD% 1.0 1.8 6.0 55 37 A 5 GLU H A 65 LEU HBx 1.0 1.8 6.0 56 37 A 5 GLU H A 65 LEU HBy 1.0 1.8 6.0 57 38 A 5 GLU H A 65 LEU HDy% 1.0 1.8 6.0 58 38 A 5 GLU H A 65 LEU HDx% 1.0 1.8 6.0 59 39 A 5 GLU H A 65 LEU H 1.0 1.8 6.0 60 40 A 5 GLU H A 66 GLY H 1.0 1.8 6.0 61 41 A 5 GLU HA A 6 PHE H 1.0 1.8 2.5 62 42 A 6 PHE H A 5 GLU HBx 1.0 1.8 4.5 63 43 A 6 PHE H A 5 GLU HBy 1.0 1.8 4.5 64 44 A 5 GLU HGx A 6 PHE H 1.0 1.8 6.0 65 45 A 5 GLU HGy A 6 PHE H 1.0 1.8 6.0 66 46 A 6 PHE H A 6 PHE HBx 1.0 1.8 4.5 67 47 A 6 PHE H A 6 PHE HBy 1.0 1.8 4.5 68 48 A 6 PHE HD% A 6 PHE H 1.0 1.8 4.5 69 49 A 41 CYS HA A 6 PHE H 1.0 1.8 4.5 70 50 A 6 PHE H A 55 LEU HDy% 1.0 1.8 6.0 71 50 A 6 PHE H A 55 LEU HDx% 1.0 1.8 6.0 72 51 A 6 PHE H A 65 LEU HG 1.0 1.8 6.0 73 52 A 6 PHE H A 65 LEU HDy% 1.0 1.8 6.0 74 52 A 65 LEU HDx% A 6 PHE H 1.0 1.8 6.0 75 53 A 7 SER H A 6 PHE HA 1.0 1.8 2.5 76 54 A 7 SER H A 6 PHE HBx 1.0 1.8 4.5 77 55 A 7 SER H A 6 PHE HBy 1.0 1.8 4.5 78 56 A 6 PHE HD% A 7 SER H 1.0 1.8 6.0 79 57 A 6 PHE H A 7 SER H 1.0 1.8 6.0 80 58 A 7 SER H A 7 SER HA 1.0 1.8 3.5 81 59 A 7 SER H A 7 SER HBx 1.0 1.8 3.5 82 59 A 7 SER H A 7 SER HBy 1.0 1.8 3.5 83 60 A 7 SER H A 8 VAL H 1.0 1.8 6.0 84 61 A 7 SER H A 62 VAL HGx% 1.0 1.8 6.0 85 62 A 7 SER H A 62 VAL HGy% 1.0 1.8 6.0 86 63 A 7 SER H A 64 TYR HA 1.0 1.8 6.0 87 64 A 65 LEU HG A 7 SER H 1.0 1.8 4.5 88 65 A 65 LEU HDx% A 7 SER H 1.0 1.8 6.0 89 66 A 65 LEU H A 7 SER H 1.0 1.8 6.0 90 67 A 7 SER HA A 8 VAL H 1.0 1.8 2.5 91 68 A 8 VAL H A 7 SER HBx 1.0 1.8 6.0 92 68 A 7 SER HBy A 8 VAL H 1.0 1.8 6.0 93 69 A 8 VAL H A 8 VAL HA 1.0 1.8 3.5 94 70 A 8 VAL H A 8 VAL HB 1.0 1.8 3.5 95 71 A 8 VAL H A 8 VAL HGx% 1.0 1.8 6.0 96 72 A 8 VAL H A 8 VAL HGy% 1.0 1.8 6.0 97 73 A 8 VAL H A 38 LYS HBx 1.0 1.8 6.0 98 74 A 8 VAL H A 38 LYS HBy 1.0 1.8 6.0 99 75 A 8 VAL H A 39 LYS HA 1.0 1.8 4.5 100 76 A 10 MET HA A 8 VAL HGy% 1.0 1.8 6.0 101 76 A 8 VAL HGx% A 10 MET HA 1.0 1.8 6.0 102 77 A 8 VAL HGx% A 12 CYS HBy 1.0 1.8 6.0 103 77 A 8 VAL HGy% A 12 CYS HBy 1.0 1.8 6.0 104 77 A 12 CYS HBx A 8 VAL HGy% 1.0 1.8 6.0 105 77 A 8 VAL HGx% A 12 CYS HBx 1.0 1.8 6.0 106 78 A 8 VAL HGx% A 38 LYS HBx 1.0 1.8 6.0 107 78 A 8 VAL HGy% A 38 LYS HBx 1.0 1.8 6.0 108 78 A 38 LYS HBy A 8 VAL HGy% 1.0 1.8 6.0 109 78 A 8 VAL HGx% A 38 LYS HBy 1.0 1.8 6.0 110 79 A 60 ALA HB% A 8 VAL HGy% 1.0 1.8 6.0 111 79 A 8 VAL HGx% A 60 ALA HB% 1.0 1.8 6.0 112 80 A 8 VAL HA A 9 ASP H 1.0 1.8 2.5 113 81 A 8 VAL HB A 9 ASP H 1.0 1.8 6.0 114 82 A 8 VAL HGx% A 9 ASP H 1.0 1.8 6.0 115 83 A 9 ASP H A 8 VAL HGy% 1.0 1.8 6.0 116 84 A 8 VAL H A 9 ASP H 1.0 1.8 6.0 117 85 A 9 ASP H A 9 ASP HA 1.0 1.8 3.5 118 86 A 9 ASP H A 9 ASP HBx 1.0 1.8 4.5 119 87 A 9 ASP H A 9 ASP HBy 1.0 1.8 4.5 120 88 A 60 ALA HB% A 9 ASP H 1.0 1.8 6.0 121 89 A 9 ASP H A 61 THR HB 1.0 1.8 6.0 122 90 A 9 ASP H A 61 THR HG2% 1.0 1.8 6.0 123 91 A 9 ASP H A 61 THR H 1.0 1.8 6.0 124 92 A 9 ASP H A 62 VAL HA 1.0 1.8 4.5 125 93 A 10 MET HA A 10 MET H 1.0 1.8 3.5 126 94 A 10 MET H A 10 MET HBx 1.0 1.8 4.5 127 94 A 10 MET H A 10 MET HBy 1.0 1.8 4.5 128 95 A 10 MET H A 10 MET HGy 1.0 1.8 6.0 129 96 A 10 MET H A 10 MET HGx 1.0 1.8 6.0 130 97 A 12 CYS H A 12 CYS HA 1.0 1.8 3.5 131 98 A 12 CYS HBx A 12 CYS H 1.0 1.8 6.0 132 99 A 12 CYS H A 12 CYS HBy 1.0 1.8 6.0 133 100 A 12 CYS HA A 15 CYS H 1.0 1.8 3.5 134 101 A 15 CYS H A 14 GLY HAx 1.0 1.8 4.5 135 101 A 15 CYS H A 14 GLY HAy 1.0 1.8 4.5 136 102 A 15 CYS H A 15 CYS HA 1.0 1.8 3.5 137 103 A 15 CYS H A 15 CYS HBx 1.0 1.8 3.5 138 104 A 15 CYS H A 15 CYS HBy 1.0 1.8 3.5 139 105 A 15 CYS H A 16 ALA H 1.0 1.8 4.5 140 106 A 15 CYS H A 16 ALA HB% 1.0 1.8 6.0 141 107 A 12 CYS HA A 16 ALA H 1.0 1.8 3.5 142 108 A 15 CYS HA A 16 ALA H 1.0 1.8 4.5 143 109 A 15 CYS HBx A 16 ALA H 1.0 1.8 4.5 144 110 A 15 CYS HBy A 16 ALA H 1.0 1.8 4.5 145 111 A 16 ALA H A 16 ALA HA 1.0 1.8 3.5 146 112 A 16 ALA H A 16 ALA HB% 1.0 1.8 3.5 147 113 A 16 ALA H A 17 GLU H 1.0 1.8 4.5 148 114 A 12 CYS H A 17 GLU H 1.0 1.8 6.0 149 115 A 12 CYS HA A 17 GLU H 1.0 1.8 6.0 150 116 A 16 ALA HB% A 17 GLU H 1.0 1.8 4.5 151 117 A 17 GLU H A 17 GLU HA 1.0 1.8 3.5 152 118 A 17 GLU H A 17 GLU HBx 1.0 1.8 4.5 153 119 A 17 GLU H A 17 GLU HBy 1.0 1.8 4.5 154 120 A 17 GLU H A 17 GLU HGx 1.0 1.8 4.5 155 120 A 17 GLU H A 17 GLU HGy 1.0 1.8 4.5 156 121 A 15 CYS HA A 18 ALA H 1.0 1.8 4.5 157 122 A 18 ALA H A 17 GLU HBx 1.0 1.8 4.5 158 123 A 18 ALA H A 17 GLU HBy 1.0 1.8 4.5 159 124 A 18 ALA H A 17 GLU HGx 1.0 1.8 6.0 160 124 A 17 GLU HGy A 18 ALA H 1.0 1.8 6.0 161 125 A 17 GLU H A 18 ALA H 1.0 1.8 4.5 162 126 A 18 ALA H A 18 ALA HA 1.0 1.8 3.5 163 127 A 18 ALA H A 18 ALA HB% 1.0 1.8 4.5 164 128 A 18 ALA H A 19 VAL HGy% 1.0 1.8 6.0 165 128 A 18 ALA H A 19 VAL HGx% 1.0 1.8 6.0 166 129 A 18 ALA H A 21 ARG HDx 1.0 1.8 6.0 167 129 A 18 ALA H A 21 ARG HDy 1.0 1.8 6.0 168 130 A 15 CYS HA A 19 VAL H 1.0 1.8 6.0 169 131 A 16 ALA HA A 19 VAL H 1.0 1.8 4.5 170 132 A 17 GLU H A 19 VAL H 1.0 1.8 6.0 171 133 A 18 ALA HA A 19 VAL H 1.0 1.8 4.5 172 134 A 18 ALA HB% A 19 VAL H 1.0 1.8 4.5 173 135 A 18 ALA H A 19 VAL H 1.0 1.8 3.5 174 136 A 19 VAL H A 19 VAL HA 1.0 1.8 3.5 175 137 A 19 VAL H A 19 VAL HB 1.0 1.8 3.5 176 138 A 19 VAL HGx% A 19 VAL H 1.0 1.8 6.0 177 139 A 19 VAL H A 19 VAL HGy% 1.0 1.8 6.0 178 140 A 19 VAL H A 19 VAL HGy% 1.0 1.8 4.5 179 140 A 19 VAL HGx% A 19 VAL H 1.0 1.8 4.5 180 141 A 19 VAL H A 58 THR HG2% 1.0 1.8 6.0 181 142 A 19 VAL HGy% A 23 LEU HDy% 1.0 1.8 6.0 182 142 A 19 VAL HGx% A 23 LEU HDy% 1.0 1.8 6.0 183 142 A 23 LEU HDx% A 19 VAL HGy% 1.0 1.8 6.0 184 142 A 19 VAL HGx% A 23 LEU HDx% 1.0 1.8 6.0 185 143 A 16 ALA HA A 20 SER H 1.0 1.8 4.5 186 144 A 18 ALA HB% A 20 SER H 1.0 1.8 6.0 187 145 A 19 VAL HA A 20 SER H 1.0 1.8 6.0 188 146 A 19 VAL HB A 20 SER H 1.0 1.8 3.5 189 147 A 19 VAL HGx% A 20 SER H 1.0 1.8 6.0 190 148 A 20 SER H A 19 VAL HGy% 1.0 1.8 6.0 191 149 A 19 VAL H A 20 SER H 1.0 1.8 3.5 192 150 A 20 SER H A 20 SER HA 1.0 1.8 3.5 193 151 A 20 SER H A 20 SER HBx 1.0 1.8 4.5 194 151 A 20 SER H A 20 SER HBy 1.0 1.8 4.5 195 152 A 20 SER H A 57 LYS HBx 1.0 1.8 6.0 196 152 A 20 SER H A 57 LYS HBy 1.0 1.8 6.0 197 153 A 18 ALA HA A 21 ARG H 1.0 1.8 4.5 198 154 A 20 SER HA A 21 ARG H 1.0 1.8 4.5 199 155 A 20 SER H A 21 ARG H 1.0 1.8 4.5 200 156 A 21 ARG H A 21 ARG HA 1.0 1.8 3.5 201 157 A 21 ARG H A 21 ARG HBx 1.0 1.8 4.5 202 157 A 21 ARG H A 21 ARG HBy 1.0 1.8 4.5 203 158 A 21 ARG H A 21 ARG HDx 1.0 1.8 6.0 204 158 A 21 ARG HDy A 21 ARG H 1.0 1.8 6.0 205 159 A 21 ARG H A 21 ARG HGx 1.0 1.8 4.5 206 160 A 21 ARG H A 21 ARG HGy 1.0 1.8 4.5 207 161 A 19 VAL HA A 22 VAL H 1.0 1.8 6.0 208 162 A 20 SER H A 22 VAL H 1.0 1.8 6.0 209 163 A 22 VAL H A 21 ARG HBx 1.0 1.8 4.5 210 163 A 21 ARG HBy A 22 VAL H 1.0 1.8 4.5 211 164 A 22 VAL H A 21 ARG HGx 1.0 1.8 6.0 212 164 A 22 VAL H A 21 ARG HGy 1.0 1.8 6.0 213 165 A 21 ARG H A 22 VAL H 1.0 1.8 4.5 214 166 A 22 VAL H A 22 VAL HA 1.0 1.8 3.5 215 167 A 22 VAL H A 22 VAL HB 1.0 1.8 4.5 216 168 A 22 VAL H A 22 VAL HG11 1.0 1.8 4.5 217 168 A 22 VAL H A 22 VAL HGy% 1.0 1.8 4.5 218 169 A 22 VAL H A 23 LEU HBy 1.0 1.8 6.0 219 169 A 22 VAL H A 23 LEU HBx 1.0 1.8 6.0 220 170 A 18 ALA HB% A 22 VAL HG11 1.0 1.8 6.0 221 170 A 18 ALA HB% A 22 VAL HGy% 1.0 1.8 6.0 222 171 A 19 VAL HA A 22 VAL HG11 1.0 1.8 6.0 223 171 A 19 VAL HA A 22 VAL HGy% 1.0 1.8 6.0 224 172 A 55 LEU HA A 22 VAL HG11 1.0 1.8 6.0 225 172 A 22 VAL HGy% A 55 LEU HA 1.0 1.8 6.0 226 173 A 19 VAL HA A 23 LEU H 1.0 1.8 6.0 227 174 A 23 LEU H A 20 SER HBx 1.0 1.8 6.0 228 174 A 20 SER HBy A 23 LEU H 1.0 1.8 6.0 229 175 A 23 LEU H A 21 ARG HGx 1.0 1.8 6.0 230 175 A 21 ARG HGy A 23 LEU H 1.0 1.8 6.0 231 176 A 22 VAL HB A 23 LEU H 1.0 1.8 6.0 232 177 A 23 LEU H A 22 VAL HG11 1.0 1.8 4.5 233 177 A 22 VAL HGy% A 23 LEU H 1.0 1.8 4.5 234 178 A 22 VAL H A 23 LEU H 1.0 1.8 3.5 235 179 A 23 LEU H A 23 LEU HA 1.0 1.8 3.5 236 180 A 23 LEU HBx A 23 LEU H 1.0 1.8 4.5 237 181 A 23 LEU H A 23 LEU HBy 1.0 1.8 4.5 238 182 A 23 LEU H A 23 LEU HBy 1.0 1.8 3.5 239 182 A 23 LEU HBx A 23 LEU H 1.0 1.8 3.5 240 183 A 23 LEU HDx% A 23 LEU H 1.0 1.8 6.0 241 184 A 23 LEU H A 23 LEU HDy% 1.0 1.8 6.0 242 185 A 42 ILE HD1% A 23 LEU HDy% 1.0 1.8 6.0 243 185 A 23 LEU HDx% A 42 ILE HD1% 1.0 1.8 6.0 244 186 A 52 LEU HG A 23 LEU HDy% 1.0 1.8 6.0 245 186 A 23 LEU HDx% A 52 LEU HG 1.0 1.8 6.0 246 187 A 23 LEU HDy% A 24 ASN HD2y 1.0 1.8 6.0 247 187 A 23 LEU HDx% A 24 ASN HD2y 1.0 1.8 6.0 248 187 A 24 ASN HD2x A 23 LEU HDy% 1.0 1.8 6.0 249 187 A 23 LEU HDx% A 24 ASN HD2x 1.0 1.8 6.0 250 188 A 23 LEU HDy% A 25 LYS HGx 1.0 1.8 6.0 251 188 A 23 LEU HDx% A 25 LYS HGx 1.0 1.8 6.0 252 188 A 25 LYS HGy A 23 LEU HDy% 1.0 1.8 6.0 253 188 A 23 LEU HDx% A 25 LYS HGy 1.0 1.8 6.0 254 189 A 23 LEU HDy% A 31 TYR HBx 1.0 1.8 6.0 255 189 A 31 TYR HBy A 23 LEU HDy% 1.0 1.8 6.0 256 189 A 23 LEU HDx% A 31 TYR HBy 1.0 1.8 6.0 257 189 A 23 LEU HDx% A 31 TYR HBx 1.0 1.8 6.0 258 190 A 23 LEU HDy% A 51 LEU HBy 1.0 1.8 6.0 259 190 A 23 LEU HDx% A 51 LEU HBy 1.0 1.8 6.0 260 190 A 51 LEU HBx A 23 LEU HDy% 1.0 1.8 6.0 261 190 A 23 LEU HDx% A 51 LEU HBx 1.0 1.8 6.0 262 191 A 21 ARG HA A 24 ASN H 1.0 1.8 4.5 263 192 A 22 VAL HA A 24 ASN H 1.0 1.8 6.0 264 193 A 23 LEU HA A 24 ASN H 1.0 1.8 4.5 265 194 A 23 LEU HBx A 24 ASN H 1.0 1.8 4.5 266 195 A 24 ASN H A 23 LEU HBy 1.0 1.8 4.5 267 196 A 23 LEU H A 24 ASN H 1.0 1.8 3.5 268 197 A 24 ASN H A 24 ASN HA 1.0 1.8 3.5 269 198 A 24 ASN H A 24 ASN HBx 1.0 1.8 4.5 270 199 A 24 ASN H A 24 ASN HBy 1.0 1.8 3.5 271 200 A 24 ASN H A 54 THR HG2% 1.0 1.8 6.0 272 201 A 21 ARG HA A 24 ASN HBx 1.0 1.8 6.0 273 201 A 21 ARG HA A 24 ASN HBy 1.0 1.8 6.0 274 202 A 21 ARG HA A 24 ASN HD2y 1.0 1.8 6.0 275 202 A 21 ARG HA A 24 ASN HD2x 1.0 1.8 6.0 276 203 A 24 ASN HA A 24 ASN HD2y 1.0 1.8 6.0 277 203 A 24 ASN HD2x A 24 ASN HA 1.0 1.8 6.0 278 204 A 24 ASN HD2x A 24 ASN HBx 1.0 1.8 4.5 279 204 A 24 ASN HBx A 24 ASN HD2y 1.0 1.8 4.5 280 205 A 24 ASN HD2x A 24 ASN HBy 1.0 1.8 4.5 281 205 A 24 ASN HBy A 24 ASN HD2y 1.0 1.8 4.5 282 206 A 22 VAL HB A 25 LYS H 1.0 1.8 6.0 283 207 A 24 ASN HA A 25 LYS H 1.0 1.8 4.5 284 208 A 25 LYS H A 24 ASN HBx 1.0 1.8 4.5 285 209 A 24 ASN HBy A 25 LYS H 1.0 1.8 4.5 286 210 A 25 LYS H A 24 ASN HD2y 1.0 1.8 6.0 287 210 A 24 ASN HD2x A 25 LYS H 1.0 1.8 6.0 288 211 A 24 ASN H A 25 LYS H 1.0 1.8 4.5 289 212 A 25 LYS H A 25 LYS HA 1.0 1.8 3.5 290 213 A 25 LYS H A 25 LYS HBx 1.0 1.8 4.5 291 213 A 25 LYS H A 25 LYS HBy 1.0 1.8 4.5 292 214 A 25 LYS H A 25 LYS HGx 1.0 1.8 4.5 293 214 A 25 LYS HGy A 25 LYS H 1.0 1.8 4.5 294 215 A 54 THR HG2% A 25 LYS H 1.0 1.8 6.0 295 216 A 23 LEU HA A 26 LEU H 1.0 1.8 4.5 296 217 A 24 ASN HA A 26 LEU H 1.0 1.8 6.0 297 218 A 24 ASN H A 26 LEU H 1.0 1.8 6.0 298 219 A 26 LEU H A 25 LYS HEx 1.0 1.8 6.0 299 219 A 26 LEU H A 25 LYS HEy 1.0 1.8 6.0 300 220 A 25 LYS H A 26 LEU H 1.0 1.8 3.5 301 221 A 26 LEU H A 26 LEU HA 1.0 1.8 3.5 302 222 A 26 LEU H A 26 LEU HBx 1.0 1.8 4.5 303 223 A 26 LEU H A 26 LEU HBy 1.0 1.8 4.5 304 224 A 26 LEU H A 26 LEU HDx% 1.0 1.8 6.0 305 224 A 26 LEU H A 26 LEU HD21 1.0 1.8 6.0 306 225 A 26 LEU H A 26 LEU HG 1.0 1.8 4.5 307 226 A 54 THR HG2% A 26 LEU H 1.0 1.8 6.0 308 227 A 22 VAL HG11 A 26 LEU HBy 1.0 1.8 6.0 309 227 A 22 VAL HGy% A 26 LEU HBy 1.0 1.8 6.0 310 227 A 26 LEU HBx A 22 VAL HG11 1.0 1.8 6.0 311 227 A 22 VAL HGy% A 26 LEU HBx 1.0 1.8 6.0 312 228 A 25 LYS HA A 26 LEU HDx% 1.0 1.8 6.0 313 228 A 25 LYS HA A 26 LEU HD21 1.0 1.8 6.0 314 229 A 26 LEU HDx% A 29 VAL HGy% 1.0 1.8 6.0 315 229 A 29 VAL HGx% A 26 LEU HDx% 1.0 1.8 6.0 316 229 A 26 LEU HD21 A 29 VAL HGx% 1.0 1.8 6.0 317 229 A 26 LEU HD21 A 29 VAL HGy% 1.0 1.8 6.0 318 230 A 26 LEU HDx% A 51 LEU HDx% 1.0 1.8 6.0 319 230 A 26 LEU HD21 A 51 LEU HDx% 1.0 1.8 6.0 320 230 A 51 LEU HD21 A 26 LEU HDx% 1.0 1.8 6.0 321 230 A 26 LEU HD21 A 51 LEU HD21 1.0 1.8 6.0 322 231 A 54 THR HG2% A 26 LEU HDx% 1.0 1.8 6.0 323 231 A 54 THR HG2% A 26 LEU HD21 1.0 1.8 6.0 324 232 A 50 THR HG2% A 26 LEU HDx% 1.0 1.8 6.0 325 232 A 26 LEU HD21 A 50 THR HG2% 1.0 1.8 6.0 326 233 A 24 ASN HA A 27 GLY H 1.0 1.8 6.0 327 234 A 26 LEU HA A 27 GLY H 1.0 1.8 6.0 328 235 A 26 LEU HBx A 27 GLY H 1.0 1.8 4.5 329 236 A 27 GLY H A 26 LEU HBy 1.0 1.8 4.5 330 237 A 27 GLY H A 26 LEU HDx% 1.0 1.8 6.0 331 237 A 26 LEU HD21 A 27 GLY H 1.0 1.8 6.0 332 238 A 26 LEU H A 27 GLY H 1.0 1.8 4.5 333 239 A 27 GLY H A 27 GLY HAx 1.0 1.8 3.5 334 240 A 27 GLY H A 27 GLY HAy 1.0 1.8 3.5 335 241 A 54 THR HG2% A 27 GLY H 1.0 1.8 6.0 336 242 A 28 GLY H A 27 GLY HAx 1.0 1.8 4.5 337 242 A 28 GLY H A 27 GLY HAy 1.0 1.8 4.5 338 243 A 28 GLY H A 28 GLY HAx 1.0 1.8 3.5 339 243 A 28 GLY H A 28 GLY HAy 1.0 1.8 3.5 340 244 A 28 GLY H A 29 VAL HGy% 1.0 1.8 6.0 341 244 A 29 VAL HGx% A 28 GLY H 1.0 1.8 6.0 342 245 A 29 VAL H A 27 GLY HAx 1.0 1.8 6.0 343 245 A 27 GLY HAy A 29 VAL H 1.0 1.8 6.0 344 246 A 29 VAL H A 28 GLY HAx 1.0 1.8 4.5 345 246 A 28 GLY HAy A 29 VAL H 1.0 1.8 4.5 346 247 A 28 GLY H A 29 VAL H 1.0 1.8 4.5 347 248 A 29 VAL H A 29 VAL HA 1.0 1.8 3.5 348 249 A 29 VAL H A 29 VAL HB 1.0 1.8 4.5 349 250 A 29 VAL H A 29 VAL HGy% 1.0 1.8 6.0 350 250 A 29 VAL HGx% A 29 VAL H 1.0 1.8 6.0 351 251 A 23 LEU HDy% A 29 VAL HGy% 1.0 1.8 6.0 352 251 A 23 LEU HDx% A 29 VAL HGy% 1.0 1.8 6.0 353 251 A 29 VAL HGx% A 23 LEU HDy% 1.0 1.8 6.0 354 251 A 23 LEU HDx% A 29 VAL HGx% 1.0 1.8 6.0 355 252 A 31 TYR HD% A 29 VAL HGy% 1.0 1.8 6.0 356 252 A 29 VAL HGx% A 31 TYR HD% 1.0 1.8 6.0 357 253 A 29 VAL HGy% A 45 GLU HBx 1.0 1.8 6.0 358 253 A 29 VAL HGx% A 45 GLU HBx 1.0 1.8 6.0 359 253 A 45 GLU HBy A 29 VAL HGy% 1.0 1.8 6.0 360 253 A 29 VAL HGx% A 45 GLU HBy 1.0 1.8 6.0 361 254 A 26 LEU HDx% A 29 VAL HGy% 1.0 1.8 6.0 362 254 A 29 VAL HGx% A 26 LEU HDx% 1.0 1.8 6.0 363 254 A 26 LEU HD21 A 29 VAL HGx% 1.0 1.8 6.0 364 254 A 26 LEU HD21 A 29 VAL HGy% 1.0 1.8 6.0 365 255 A 29 VAL HGy% A 44 SER HBx 1.0 1.8 6.0 366 255 A 29 VAL HGx% A 44 SER HBx 1.0 1.8 6.0 367 256 A 44 SER HBy A 29 VAL HGy% 1.0 1.8 6.0 368 256 A 29 VAL HGx% A 44 SER HBy 1.0 1.8 6.0 369 257 A 29 VAL HGy% A 46 HIS HBx 1.0 1.8 6.0 370 257 A 46 HIS HBy A 29 VAL HGy% 1.0 1.8 6.0 371 257 A 29 VAL HGx% A 46 HIS HBy 1.0 1.8 6.0 372 257 A 29 VAL HGx% A 46 HIS HBx 1.0 1.8 6.0 373 258 A 29 VAL HA A 30 LYS H 1.0 1.8 2.5 374 259 A 29 VAL HB A 30 LYS H 1.0 1.8 3.5 375 260 A 29 VAL HGx% A 30 LYS H 1.0 1.8 6.0 376 261 A 30 LYS H A 29 VAL HGy% 1.0 1.8 6.0 377 262 A 30 LYS H A 29 VAL HGy% 1.0 1.8 4.5 378 262 A 29 VAL HGx% A 30 LYS H 1.0 1.8 4.5 379 263 A 29 VAL H A 30 LYS H 1.0 1.8 6.0 380 264 A 30 LYS H A 30 LYS HA 1.0 1.8 3.5 381 265 A 30 LYS H A 30 LYS HBx 1.0 1.8 3.5 382 266 A 30 LYS H A 30 LYS HBy 1.0 1.8 3.5 383 267 A 30 LYS H A 30 LYS HDx 1.0 1.8 6.0 384 267 A 30 LYS H A 30 LYS HDy 1.0 1.8 6.0 385 268 A 30 LYS H A 30 LYS HGx 1.0 1.8 6.0 386 269 A 30 LYS H A 30 LYS HGy 1.0 1.8 6.0 387 270 A 30 LYS H A 31 TYR HA 1.0 1.8 6.0 388 271 A 30 LYS H A 31 TYR HBx 1.0 1.8 6.0 389 271 A 31 TYR HBy A 30 LYS H 1.0 1.8 6.0 390 272 A 31 TYR HD% A 30 LYS H 1.0 1.8 6.0 391 273 A 30 LYS H A 31 TYR H 1.0 1.8 4.5 392 274 A 30 LYS H A 43 GLU H 1.0 1.8 4.5 393 275 A 30 LYS H A 44 SER HBx 1.0 1.8 6.0 394 275 A 30 LYS H A 44 SER HBy 1.0 1.8 6.0 395 276 A 30 LYS H A 44 SER HBx 1.0 1.8 6.0 396 276 A 30 LYS H A 44 SER HBy 1.0 1.8 6.0 397 277 A 30 LYS H A 45 GLU HGy 1.0 1.8 6.0 398 277 A 30 LYS H A 45 GLU HGx 1.0 1.8 6.0 399 278 A 31 TYR H A 29 VAL HGy% 1.0 1.8 6.0 400 278 A 29 VAL HGx% A 31 TYR H 1.0 1.8 6.0 401 279 A 30 LYS HA A 31 TYR H 1.0 1.8 2.5 402 280 A 31 TYR H A 30 LYS HBx 1.0 1.8 4.5 403 280 A 31 TYR H A 30 LYS HBy 1.0 1.8 4.5 404 281 A 30 LYS HGx A 31 TYR H 1.0 1.8 6.0 405 282 A 30 LYS HGy A 31 TYR H 1.0 1.8 6.0 406 283 A 31 TYR HA A 31 TYR H 1.0 1.8 3.5 407 284 A 31 TYR H A 31 TYR HBx 1.0 1.8 4.5 408 284 A 31 TYR HBy A 31 TYR H 1.0 1.8 4.5 409 285 A 31 TYR HD% A 31 TYR H 1.0 1.8 4.5 410 286 A 31 TYR H A 42 ILE HA 1.0 1.8 6.0 411 287 A 32 ASP H A 23 LEU HDy% 1.0 1.8 6.0 412 287 A 23 LEU HDx% A 32 ASP H 1.0 1.8 6.0 413 288 A 31 TYR HA A 32 ASP H 1.0 1.8 2.5 414 289 A 32 ASP H A 31 TYR HBx 1.0 1.8 4.5 415 289 A 31 TYR HBy A 32 ASP H 1.0 1.8 4.5 416 290 A 31 TYR HD% A 32 ASP H 1.0 1.8 4.5 417 291 A 32 ASP H A 32 ASP HA 1.0 1.8 3.5 418 292 A 32 ASP H A 32 ASP HBx 1.0 1.8 4.5 419 292 A 32 ASP H A 32 ASP HBy 1.0 1.8 4.5 420 293 A 32 ASP H A 33 ILE HG1x 1.0 1.8 6.0 421 293 A 32 ASP H A 33 ILE HG1y 1.0 1.8 6.0 422 294 A 32 ASP H A 41 CYS HBx 1.0 1.8 6.0 423 295 A 32 ASP H A 41 CYS HBy 1.0 1.8 6.0 424 296 A 32 ASP H A 42 ILE HG1y 1.0 1.8 6.0 425 296 A 32 ASP H A 42 ILE HG1x 1.0 1.8 6.0 426 297 A 32 ASP H A 42 ILE HG2% 1.0 1.8 6.0 427 298 A 31 TYR HD% A 33 ILE H 1.0 1.8 6.0 428 299 A 32 ASP HA A 33 ILE H 1.0 1.8 2.5 429 300 A 33 ILE H A 32 ASP HBx 1.0 1.8 6.0 430 301 A 32 ASP HBy A 33 ILE H 1.0 1.8 6.0 431 302 A 32 ASP H A 33 ILE H 1.0 1.8 6.0 432 303 A 33 ILE H A 33 ILE HA 1.0 1.8 4.5 433 304 A 33 ILE H A 33 ILE HB 1.0 1.8 3.5 434 305 A 33 ILE H A 33 ILE HD1% 1.0 1.8 6.0 435 306 A 33 ILE H A 33 ILE HG1x 1.0 1.8 6.0 436 306 A 33 ILE HG1y A 33 ILE H 1.0 1.8 6.0 437 307 A 33 ILE H A 33 ILE HG2% 1.0 1.8 6.0 438 308 A 33 ILE HG2% A 17 GLU HBx 1.0 1.8 6.0 439 308 A 33 ILE HG2% A 17 GLU HBy 1.0 1.8 6.0 440 309 A 33 ILE HG2% A 21 ARG HGx 1.0 1.8 6.0 441 309 A 21 ARG HGy A 33 ILE HG2% 1.0 1.8 6.0 442 310 A 31 TYR HD% A 33 ILE HG2% 1.0 1.8 6.0 443 311 A 33 ILE HA A 34 ASP H 1.0 1.8 2.5 444 312 A 34 ASP H A 33 ILE HG1x 1.0 1.8 6.0 445 312 A 33 ILE HG1y A 34 ASP H 1.0 1.8 6.0 446 313 A 33 ILE HD1% A 34 ASP H 1.0 1.8 6.0 447 314 A 33 ILE HG2% A 34 ASP H 1.0 1.8 6.0 448 315 A 34 ASP H A 34 ASP HA 1.0 1.8 3.5 449 316 A 34 ASP H A 34 ASP HBx 1.0 1.8 4.5 450 317 A 34 ASP H A 34 ASP HBy 1.0 1.8 4.5 451 318 A 39 LYS HA A 34 ASP H 1.0 1.8 6.0 452 319 A 34 ASP HA A 35 LEU H 1.0 1.8 3.5 453 320 A 35 LEU H A 34 ASP HBx 1.0 1.8 6.0 454 321 A 35 LEU H A 34 ASP HBy 1.0 1.8 6.0 455 322 A 34 ASP H A 35 LEU H 1.0 1.8 6.0 456 323 A 35 LEU H A 35 LEU HA 1.0 1.8 3.5 457 324 A 35 LEU H A 35 LEU HDx% 1.0 1.8 6.0 458 324 A 35 LEU H A 35 LEU HD21 1.0 1.8 6.0 459 325 A 35 LEU H A 36 PRO HDx 1.0 1.8 4.5 460 325 A 35 LEU H A 36 PRO HDy 1.0 1.8 4.5 461 326 A 35 LEU H A 36 PRO HGy 1.0 1.8 6.0 462 326 A 35 LEU H A 36 PRO HGx 1.0 1.8 6.0 463 327 A 35 LEU H A 37 ASN HBx 1.0 1.8 6.0 464 327 A 35 LEU H A 37 ASN HBy 1.0 1.8 6.0 465 328 A 34 ASP HA A 37 ASN H 1.0 1.8 6.0 466 329 A 37 ASN H A 34 ASP HBx 1.0 1.8 6.0 467 329 A 37 ASN H A 34 ASP HBy 1.0 1.8 6.0 468 330 A 37 ASN H A 36 PRO HA 1.0 1.8 3.5 469 331 A 37 ASN H A 36 PRO HBy 1.0 1.8 3.5 470 331 A 37 ASN H A 36 PRO HBx 1.0 1.8 3.5 471 332 A 37 ASN H A 36 PRO HGy 1.0 1.8 6.0 472 333 A 36 PRO HGx A 37 ASN H 1.0 1.8 6.0 473 334 A 37 ASN H A 37 ASN HA 1.0 1.8 3.5 474 335 A 37 ASN H A 37 ASN HBx 1.0 1.8 3.5 475 336 A 37 ASN HBy A 37 ASN H 1.0 1.8 3.5 476 337 A 37 ASN H A 37 ASN HD2y 1.0 1.8 4.5 477 337 A 37 ASN H A 37 ASN HD2x 1.0 1.8 4.5 478 338 A 37 ASN H A 38 LYS HA 1.0 1.8 4.5 479 339 A 37 ASN HD2x A 34 ASP HBx 1.0 1.8 6.0 480 339 A 34 ASP HBx A 37 ASN HD2y 1.0 1.8 6.0 481 340 A 34 ASP HBy A 37 ASN HD2x 1.0 1.8 6.0 482 340 A 34 ASP HBy A 37 ASN HD2y 1.0 1.8 6.0 483 341 A 36 PRO HA A 37 ASN HD2y 1.0 1.8 6.0 484 341 A 36 PRO HA A 37 ASN HD2x 1.0 1.8 6.0 485 342 A 36 PRO HBx A 37 ASN HD2y 1.0 1.8 6.0 486 342 A 36 PRO HBy A 37 ASN HD2y 1.0 1.8 6.0 487 342 A 37 ASN HD2x A 36 PRO HBy 1.0 1.8 6.0 488 342 A 36 PRO HBx A 37 ASN HD2x 1.0 1.8 6.0 489 343 A 37 ASN HA A 37 ASN HD2y 1.0 1.8 6.0 490 343 A 37 ASN HA A 37 ASN HD2x 1.0 1.8 6.0 491 344 A 37 ASN HD2x A 37 ASN HBx 1.0 1.8 3.5 492 344 A 37 ASN HBx A 37 ASN HD2y 1.0 1.8 3.5 493 345 A 37 ASN HBy A 37 ASN HD2x 1.0 1.8 3.5 494 345 A 37 ASN HBy A 37 ASN HD2y 1.0 1.8 3.5 495 346 A 37 ASN HA A 38 LYS H 1.0 1.8 6.0 496 347 A 38 LYS H A 37 ASN HBx 1.0 1.8 6.0 497 348 A 37 ASN HBy A 38 LYS H 1.0 1.8 6.0 498 349 A 37 ASN H A 38 LYS H 1.0 1.8 4.5 499 350 A 38 LYS HA A 38 LYS H 1.0 1.8 3.5 500 351 A 38 LYS H A 38 LYS HBx 1.0 1.8 6.0 501 351 A 38 LYS HBy A 38 LYS H 1.0 1.8 6.0 502 352 A 38 LYS H A 38 LYS HDx 1.0 1.8 4.5 503 352 A 38 LYS H A 38 LYS HDy 1.0 1.8 4.5 504 353 A 38 LYS H A 38 LYS HEx 1.0 1.8 6.0 505 353 A 38 LYS H A 38 LYS HEy 1.0 1.8 6.0 506 354 A 38 LYS H A 38 LYS HGx 1.0 1.8 4.5 507 354 A 38 LYS H A 38 LYS HGy 1.0 1.8 4.5 508 355 A 39 LYS H A 34 ASP HBx 1.0 1.8 6.0 509 356 A 34 ASP HBy A 39 LYS H 1.0 1.8 6.0 510 357 A 39 LYS H A 34 ASP HBx 1.0 1.8 4.5 511 357 A 34 ASP HBy A 39 LYS H 1.0 1.8 4.5 512 358 A 34 ASP H A 39 LYS H 1.0 1.8 6.0 513 359 A 39 LYS H A 35 LEU HDx% 1.0 1.8 6.0 514 359 A 35 LEU HD21 A 39 LYS H 1.0 1.8 6.0 515 360 A 37 ASN H A 39 LYS H 1.0 1.8 6.0 516 361 A 39 LYS H A 37 ASN HBx 1.0 1.8 6.0 517 361 A 37 ASN HBy A 39 LYS H 1.0 1.8 6.0 518 362 A 38 LYS HA A 39 LYS H 1.0 1.8 3.5 519 363 A 39 LYS H A 38 LYS HBx 1.0 1.8 4.5 520 363 A 38 LYS HBy A 39 LYS H 1.0 1.8 4.5 521 364 A 39 LYS HA A 39 LYS H 1.0 1.8 3.5 522 365 A 39 LYS H A 39 LYS HBx 1.0 1.8 4.5 523 365 A 39 LYS H A 39 LYS HBy 1.0 1.8 4.5 524 366 A 39 LYS H A 39 LYS HDx 1.0 1.8 6.0 525 366 A 39 LYS H A 39 LYS HDy 1.0 1.8 6.0 526 367 A 39 LYS H A 39 LYS HEx 1.0 1.8 6.0 527 367 A 39 LYS H A 39 LYS HEy 1.0 1.8 6.0 528 368 A 39 LYS H A 39 LYS HGx 1.0 1.8 6.0 529 368 A 39 LYS H A 39 LYS HGy 1.0 1.8 6.0 530 369 A 40 VAL H A 6 PHE HBx 1.0 1.8 6.0 531 370 A 40 VAL H A 6 PHE HBy 1.0 1.8 6.0 532 371 A 7 SER HA A 40 VAL H 1.0 1.8 4.5 533 372 A 8 VAL H A 40 VAL H 1.0 1.8 6.0 534 373 A 39 LYS HA A 40 VAL H 1.0 1.8 2.5 535 374 A 40 VAL H A 39 LYS HBx 1.0 1.8 4.5 536 374 A 39 LYS HBy A 40 VAL H 1.0 1.8 4.5 537 375 A 40 VAL H A 39 LYS HDx 1.0 1.8 6.0 538 375 A 39 LYS HDy A 40 VAL H 1.0 1.8 6.0 539 376 A 40 VAL H A 39 LYS HGx 1.0 1.8 6.0 540 376 A 39 LYS HGy A 40 VAL H 1.0 1.8 6.0 541 377 A 40 VAL H A 40 VAL HA 1.0 1.8 3.5 542 378 A 40 VAL H A 40 VAL HB 1.0 1.8 3.5 543 379 A 40 VAL H A 40 VAL HGy% 1.0 1.8 6.0 544 379 A 40 VAL H A 40 VAL HG11 1.0 1.8 6.0 545 380 A 6 PHE HBx A 40 VAL HGy% 1.0 1.8 6.0 546 380 A 6 PHE HBy A 40 VAL HGy% 1.0 1.8 6.0 547 380 A 40 VAL HG11 A 6 PHE HBx 1.0 1.8 6.0 548 380 A 40 VAL HG11 A 6 PHE HBy 1.0 1.8 6.0 549 381 A 8 VAL HB A 40 VAL HG11 1.0 1.8 6.0 550 382 A 19 VAL HGx% A 40 VAL HGy% 1.0 1.8 6.0 551 382 A 19 VAL HGy% A 40 VAL HGy% 1.0 1.8 6.0 552 382 A 40 VAL HG11 A 19 VAL HGy% 1.0 1.8 6.0 553 382 A 19 VAL HGx% A 40 VAL HG11 1.0 1.8 6.0 554 383 A 23 LEU HDx% A 40 VAL HGy% 1.0 1.8 6.0 555 383 A 23 LEU HDy% A 40 VAL HGy% 1.0 1.8 6.0 556 383 A 40 VAL HG11 A 23 LEU HDy% 1.0 1.8 6.0 557 383 A 23 LEU HDx% A 40 VAL HG11 1.0 1.8 6.0 558 384 A 33 ILE HA A 40 VAL HGy% 1.0 1.8 6.0 559 384 A 33 ILE HA A 40 VAL HG11 1.0 1.8 6.0 560 385 A 55 LEU HDx% A 40 VAL HGy% 1.0 1.8 6.0 561 385 A 40 VAL HGy% A 55 LEU HDy% 1.0 1.8 6.0 562 386 A 7 SER HA A 40 VAL HGy% 1.0 1.8 6.0 563 386 A 7 SER HA A 40 VAL HG11 1.0 1.8 6.0 564 387 A 8 VAL HB A 40 VAL HGy% 1.0 1.8 6.0 565 388 A 8 VAL HGy% A 40 VAL HGy% 1.0 1.8 6.0 566 388 A 8 VAL HGx% A 40 VAL HGy% 1.0 1.8 6.0 567 388 A 40 VAL HG11 A 8 VAL HGy% 1.0 1.8 6.0 568 388 A 8 VAL HGx% A 40 VAL HG11 1.0 1.8 6.0 569 389 A 10 MET HA A 40 VAL HGy% 1.0 1.8 6.0 570 389 A 10 MET HA A 40 VAL HG11 1.0 1.8 6.0 571 390 A 55 LEU HDx% A 40 VAL HGy% 1.0 1.8 6.0 572 390 A 40 VAL HGy% A 55 LEU HDy% 1.0 1.8 6.0 573 391 A 31 TYR HA A 41 CYS H 1.0 1.8 6.0 574 392 A 41 CYS H A 32 ASP HBx 1.0 1.8 6.0 575 393 A 32 ASP HBy A 41 CYS H 1.0 1.8 6.0 576 394 A 33 ILE HA A 41 CYS H 1.0 1.8 6.0 577 395 A 34 ASP H A 41 CYS H 1.0 1.8 6.0 578 396 A 40 VAL HA A 41 CYS H 1.0 1.8 2.5 579 397 A 40 VAL HB A 41 CYS H 1.0 1.8 6.0 580 398 A 41 CYS H A 40 VAL HGy% 1.0 1.8 6.0 581 398 A 40 VAL HG11 A 41 CYS H 1.0 1.8 6.0 582 399 A 40 VAL H A 41 CYS H 1.0 1.8 6.0 583 400 A 41 CYS HA A 41 CYS H 1.0 1.8 3.5 584 401 A 41 CYS HBx A 41 CYS H 1.0 1.8 3.5 585 402 A 41 CYS HBy A 41 CYS H 1.0 1.8 3.5 586 403 A 42 ILE H A 3 LYS HBx 1.0 1.8 6.0 587 403 A 3 LYS HBy A 42 ILE H 1.0 1.8 6.0 588 404 A 4 HIS H A 42 ILE H 1.0 1.8 4.5 589 405 A 5 GLU HA A 42 ILE H 1.0 1.8 4.5 590 406 A 6 PHE H A 42 ILE H 1.0 1.8 6.0 591 407 A 31 TYR HA A 42 ILE H 1.0 1.8 6.0 592 408 A 42 ILE H A 31 TYR HBx 1.0 1.8 6.0 593 408 A 31 TYR HBy A 42 ILE H 1.0 1.8 6.0 594 409 A 41 CYS HA A 42 ILE H 1.0 1.8 2.5 595 410 A 41 CYS HBx A 42 ILE H 1.0 1.8 4.5 596 411 A 41 CYS HBy A 42 ILE H 1.0 1.8 4.5 597 412 A 41 CYS H A 42 ILE H 1.0 1.8 6.0 598 413 A 42 ILE HA A 42 ILE H 1.0 1.8 3.5 599 414 A 42 ILE HB A 42 ILE H 1.0 1.8 3.5 600 415 A 42 ILE H A 42 ILE HD1% 1.0 1.8 6.0 601 416 A 42 ILE HG1x A 42 ILE H 1.0 1.8 6.0 602 417 A 42 ILE H A 42 ILE HG1y 1.0 1.8 4.5 603 418 A 42 ILE HG2% A 42 ILE H 1.0 1.8 6.0 604 419 A 42 ILE H A 55 LEU HDy% 1.0 1.8 6.0 605 419 A 55 LEU HDx% A 42 ILE H 1.0 1.8 6.0 606 420 A 4 HIS HD1 A 42 ILE HD1% 1.0 1.8 6.0 607 420 A 42 ILE HD1% A 4 HIS HD2 1.0 1.8 6.0 608 421 A 6 PHE HD% A 42 ILE HD1% 1.0 1.8 6.0 609 422 A 23 LEU HDx% A 42 ILE HD1% 1.0 1.8 6.0 610 423 A 42 ILE HD1% A 23 LEU HDy% 1.0 1.8 6.0 611 424 A 31 TYR HA A 42 ILE HD1% 1.0 1.8 6.0 612 425 A 55 LEU HDx% A 42 ILE HD1% 1.0 1.8 6.0 613 425 A 42 ILE HD1% A 55 LEU HDy% 1.0 1.8 6.0 614 426 A 42 ILE HG2% A 8 VAL HGy% 1.0 1.8 6.0 615 426 A 8 VAL HGx% A 42 ILE HG2% 1.0 1.8 6.0 616 427 A 42 ILE HG2% A 23 LEU HDy% 1.0 1.8 6.0 617 427 A 23 LEU HDx% A 42 ILE HG2% 1.0 1.8 6.0 618 428 A 42 ILE HG2% A 31 TYR HBx 1.0 1.8 6.0 619 428 A 31 TYR HBy A 42 ILE HG2% 1.0 1.8 6.0 620 429 A 42 ILE HG2% A 44 SER HBx 1.0 1.8 6.0 621 430 A 44 SER HBy A 42 ILE HG2% 1.0 1.8 6.0 622 431 A 43 GLU H A 30 LYS HBx 1.0 1.8 6.0 623 431 A 43 GLU H A 30 LYS HBy 1.0 1.8 6.0 624 432 A 43 GLU H A 30 LYS HDx 1.0 1.8 6.0 625 432 A 30 LYS HDy A 43 GLU H 1.0 1.8 6.0 626 433 A 30 LYS H A 43 GLU H 1.0 1.8 4.5 627 434 A 31 TYR HA A 43 GLU H 1.0 1.8 4.5 628 435 A 43 GLU H A 31 TYR HBx 1.0 1.8 6.0 629 435 A 31 TYR HBy A 43 GLU H 1.0 1.8 6.0 630 436 A 43 GLU H A 32 ASP H 1.0 1.8 6.0 631 437 A 43 GLU H A 42 ILE HA 1.0 1.8 2.5 632 438 A 43 GLU H A 42 ILE HD1% 1.0 1.8 6.0 633 439 A 43 GLU H A 42 ILE HG1y 1.0 1.8 6.0 634 439 A 43 GLU H A 42 ILE HG1x 1.0 1.8 6.0 635 440 A 43 GLU H A 42 ILE HG2% 1.0 1.8 4.5 636 441 A 43 GLU HA A 43 GLU H 1.0 1.8 4.5 637 442 A 43 GLU H A 43 GLU HBx 1.0 1.8 3.5 638 443 A 43 GLU H A 43 GLU HBy 1.0 1.8 3.5 639 444 A 43 GLU H A 43 GLU HGy 1.0 1.8 4.5 640 444 A 43 GLU H A 43 GLU HGx 1.0 1.8 4.5 641 445 A 44 SER H A 2 PRO HBx 1.0 1.8 6.0 642 445 A 44 SER H A 2 PRO HBy 1.0 1.8 6.0 643 446 A 44 SER H A 2 PRO HDy 1.0 1.8 6.0 644 446 A 44 SER H A 2 PRO HDx 1.0 1.8 6.0 645 447 A 44 SER H A 4 HIS HD2 1.0 1.8 6.0 646 447 A 4 HIS HD1 A 44 SER H 1.0 1.8 6.0 647 448 A 42 ILE HG2% A 44 SER H 1.0 1.8 6.0 648 449 A 43 GLU HA A 44 SER H 1.0 1.8 2.5 649 450 A 43 GLU HBx A 44 SER H 1.0 1.8 4.5 650 451 A 43 GLU HBy A 44 SER H 1.0 1.8 4.5 651 452 A 44 SER H A 43 GLU HGy 1.0 1.8 4.5 652 452 A 43 GLU HGx A 44 SER H 1.0 1.8 4.5 653 453 A 43 GLU H A 44 SER H 1.0 1.8 6.0 654 454 A 44 SER H A 44 SER HA 1.0 1.8 3.5 655 455 A 44 SER H A 44 SER HBx 1.0 1.8 4.5 656 456 A 44 SER HBy A 44 SER H 1.0 1.8 4.5 657 457 A 44 SER H A 45 GLU H 1.0 1.8 6.0 658 458 A 45 GLU H A 29 VAL HGy% 1.0 1.8 6.0 659 458 A 29 VAL HGx% A 45 GLU H 1.0 1.8 6.0 660 459 A 44 SER HA A 45 GLU H 1.0 1.8 3.5 661 460 A 45 GLU H A 44 SER HBx 1.0 1.8 6.0 662 461 A 44 SER HBy A 45 GLU H 1.0 1.8 6.0 663 462 A 45 GLU H A 44 SER HBx 1.0 1.8 4.5 664 462 A 44 SER HBy A 45 GLU H 1.0 1.8 4.5 665 463 A 45 GLU H A 45 GLU HA 1.0 1.8 3.5 666 464 A 45 GLU H A 45 GLU HBx 1.0 1.8 3.5 667 465 A 45 GLU HBy A 45 GLU H 1.0 1.8 3.5 668 466 A 45 GLU H A 45 GLU HGy 1.0 1.8 4.5 669 466 A 45 GLU HGx A 45 GLU H 1.0 1.8 4.5 670 467 A 45 GLU H A 46 HIS HBx 1.0 1.8 6.0 671 467 A 46 HIS HBy A 45 GLU H 1.0 1.8 6.0 672 468 A 46 HIS H A 29 VAL HGy% 1.0 1.8 6.0 673 468 A 29 VAL HGx% A 46 HIS H 1.0 1.8 6.0 674 469 A 46 HIS H A 42 ILE HD1% 1.0 1.8 6.0 675 470 A 44 SER HA A 46 HIS H 1.0 1.8 6.0 676 471 A 46 HIS H A 44 SER HBx 1.0 1.8 4.5 677 472 A 44 SER HBy A 46 HIS H 1.0 1.8 4.5 678 473 A 45 GLU HA A 46 HIS H 1.0 1.8 4.5 679 474 A 46 HIS H A 45 GLU HBx 1.0 1.8 6.0 680 475 A 45 GLU HBy A 46 HIS H 1.0 1.8 6.0 681 476 A 46 HIS H A 45 GLU HBx 1.0 1.8 4.5 682 476 A 45 GLU HBy A 46 HIS H 1.0 1.8 4.5 683 477 A 45 GLU H A 46 HIS H 1.0 1.8 3.5 684 478 A 46 HIS H A 46 HIS HA 1.0 1.8 3.5 685 479 A 46 HIS H A 46 HIS HBx 1.0 1.8 3.5 686 479 A 46 HIS HBy A 46 HIS H 1.0 1.8 3.5 687 480 A 46 HIS H A 46 HIS HD2 1.0 1.8 6.0 688 481 A 46 HIS H A 51 LEU HDx% 1.0 1.8 6.0 689 481 A 51 LEU HD21 A 46 HIS H 1.0 1.8 6.0 690 482 A 44 SER HBx A 46 HIS HBx 1.0 1.8 6.0 691 482 A 44 SER HBy A 46 HIS HBx 1.0 1.8 6.0 692 482 A 46 HIS HBy A 44 SER HBx 1.0 1.8 6.0 693 482 A 46 HIS HBy A 44 SER HBy 1.0 1.8 6.0 694 483 A 46 HIS HBy A 48 MET HBx 1.0 1.8 6.0 695 483 A 46 HIS HBx A 48 MET HBx 1.0 1.8 6.0 696 483 A 48 MET HBy A 46 HIS HBx 1.0 1.8 6.0 697 483 A 46 HIS HBy A 48 MET HBy 1.0 1.8 6.0 698 484 A 50 THR HB A 46 HIS HBx 1.0 1.8 6.0 699 484 A 46 HIS HBy A 50 THR HB 1.0 1.8 6.0 700 485 A 50 THR HG2% A 46 HIS HBx 1.0 1.8 6.0 701 485 A 50 THR HG2% A 46 HIS HBy 1.0 1.8 6.0 702 486 A 46 HIS HA A 47 SER H 1.0 1.8 3.5 703 487 A 47 SER H A 46 HIS HBx 1.0 1.8 4.5 704 487 A 46 HIS HBy A 47 SER H 1.0 1.8 4.5 705 488 A 46 HIS H A 47 SER H 1.0 1.8 6.0 706 489 A 47 SER H A 47 SER HA 1.0 1.8 3.5 707 490 A 47 SER H A 47 SER HBx 1.0 1.8 4.5 708 490 A 47 SER H A 47 SER HBy 1.0 1.8 4.5 709 491 A 47 SER H A 48 MET HBx 1.0 1.8 6.0 710 491 A 48 MET HBy A 47 SER H 1.0 1.8 6.0 711 492 A 47 SER H A 50 THR H 1.0 1.8 6.0 712 493 A 50 THR HG2% A 47 SER H 1.0 1.8 6.0 713 494 A 47 SER H A 50 THR HG1 1.0 1.8 6.0 714 495 A 47 SER H A 51 LEU HDx% 1.0 1.8 6.0 715 495 A 51 LEU HD21 A 47 SER H 1.0 1.8 6.0 716 496 A 47 SER H A 67 LEU HDy% 1.0 1.8 6.0 717 496 A 67 LEU HDx% A 47 SER H 1.0 1.8 6.0 718 497 A 42 ILE HD1% A 48 MET H 1.0 1.8 6.0 719 498 A 47 SER H A 48 MET H 1.0 1.8 6.0 720 499 A 47 SER HA A 48 MET H 1.0 1.8 3.5 721 500 A 48 MET H A 47 SER HBx 1.0 1.8 6.0 722 500 A 47 SER HBy A 48 MET H 1.0 1.8 6.0 723 501 A 48 MET H A 48 MET HA 1.0 1.8 4.5 724 502 A 48 MET H A 48 MET HBx 1.0 1.8 6.0 725 503 A 48 MET HBy A 48 MET H 1.0 1.8 6.0 726 504 A 48 MET H A 48 MET HBx 1.0 1.8 3.5 727 504 A 48 MET HBy A 48 MET H 1.0 1.8 3.5 728 505 A 48 MET H A 48 MET HGx 1.0 1.8 4.5 729 505 A 48 MET H A 48 MET HGy 1.0 1.8 4.5 730 506 A 48 MET H A 49 ASP HBx 1.0 1.8 6.0 731 506 A 48 MET H A 49 ASP HBy 1.0 1.8 6.0 732 507 A 50 THR HG1 A 48 MET H 1.0 1.8 6.0 733 508 A 42 ILE HD1% A 49 ASP H 1.0 1.8 6.0 734 509 A 47 SER HA A 49 ASP H 1.0 1.8 4.5 735 510 A 48 MET HA A 49 ASP H 1.0 1.8 6.0 736 511 A 49 ASP H A 48 MET HBx 1.0 1.8 6.0 737 512 A 48 MET HBy A 49 ASP H 1.0 1.8 6.0 738 513 A 49 ASP H A 48 MET HBx 1.0 1.8 4.5 739 513 A 48 MET HBy A 49 ASP H 1.0 1.8 4.5 740 514 A 49 ASP H A 48 MET HGx 1.0 1.8 4.5 741 514 A 48 MET HGy A 49 ASP H 1.0 1.8 4.5 742 515 A 48 MET H A 49 ASP H 1.0 1.8 4.5 743 516 A 49 ASP H A 49 ASP HA 1.0 1.8 3.5 744 517 A 49 ASP H A 49 ASP HBx 1.0 1.8 3.5 745 517 A 49 ASP HBy A 49 ASP H 1.0 1.8 3.5 746 518 A 50 THR HG1 A 49 ASP H 1.0 1.8 6.0 747 519 A 49 ASP H A 52 LEU HBy 1.0 1.8 6.0 748 519 A 49 ASP H A 52 LEU HBx 1.0 1.8 6.0 749 520 A 49 ASP H A 52 LEU HD21 1.0 1.8 6.0 750 520 A 49 ASP H A 52 LEU HDx% 1.0 1.8 6.0 751 521 A 50 THR H A 46 HIS HBx 1.0 1.8 6.0 752 521 A 46 HIS HBy A 50 THR H 1.0 1.8 6.0 753 522 A 50 THR H A 48 MET HBx 1.0 1.8 6.0 754 522 A 48 MET HBy A 50 THR H 1.0 1.8 6.0 755 523 A 50 THR H A 49 ASP HA 1.0 1.8 6.0 756 524 A 50 THR H A 49 ASP HBx 1.0 1.8 4.5 757 524 A 50 THR H A 49 ASP HBy 1.0 1.8 4.5 758 525 A 50 THR H A 49 ASP H 1.0 1.8 3.5 759 526 A 50 THR H A 50 THR HA 1.0 1.8 3.5 760 527 A 50 THR HB A 50 THR H 1.0 1.8 3.5 761 528 A 50 THR H A 50 THR HG1 1.0 1.8 6.0 762 529 A 50 THR HG2% A 50 THR H 1.0 1.8 6.0 763 530 A 50 THR H A 52 LEU H 1.0 1.8 6.0 764 531 A 50 THR HG2% A 6 PHE HBx 1.0 1.8 6.0 765 531 A 50 THR HG2% A 6 PHE HBy 1.0 1.8 6.0 766 532 A 50 THR HG2% A 23 LEU HDy% 1.0 1.8 6.0 767 532 A 23 LEU HDx% A 50 THR HG2% 1.0 1.8 6.0 768 533 A 50 THR HG2% A 29 VAL HB 1.0 1.8 6.0 769 534 A 50 THR HG2% A 45 GLU HBx 1.0 1.8 6.0 770 534 A 50 THR HG2% A 45 GLU HBy 1.0 1.8 6.0 771 535 A 51 LEU H A 4 HIS HD2 1.0 1.8 6.0 772 535 A 4 HIS HD1 A 51 LEU H 1.0 1.8 6.0 773 536 A 51 LEU H A 6 PHE HBx 1.0 1.8 6.0 774 536 A 6 PHE HBy A 51 LEU H 1.0 1.8 6.0 775 537 A 51 LEU H A 26 LEU HDx% 1.0 1.8 6.0 776 537 A 26 LEU HD21 A 51 LEU H 1.0 1.8 6.0 777 538 A 48 MET HA A 51 LEU H 1.0 1.8 4.5 778 539 A 51 LEU H A 49 ASP HBx 1.0 1.8 6.0 779 539 A 49 ASP HBy A 51 LEU H 1.0 1.8 6.0 780 540 A 50 THR HA A 51 LEU H 1.0 1.8 4.5 781 541 A 50 THR HB A 51 LEU H 1.0 1.8 4.5 782 542 A 50 THR HG1 A 51 LEU H 1.0 1.8 6.0 783 543 A 50 THR HG2% A 51 LEU H 1.0 1.8 6.0 784 544 A 51 LEU H A 51 LEU HA 1.0 1.8 3.5 785 545 A 51 LEU HBx A 51 LEU H 1.0 1.8 3.5 786 546 A 51 LEU H A 51 LEU HBy 1.0 1.8 3.5 787 547 A 51 LEU H A 51 LEU HDx% 1.0 1.8 4.5 788 547 A 51 LEU HD21 A 51 LEU H 1.0 1.8 4.5 789 548 A 51 LEU H A 51 LEU HG 1.0 1.8 3.5 790 549 A 6 PHE HD% A 52 LEU H 1.0 1.8 6.0 791 550 A 48 MET HA A 52 LEU H 1.0 1.8 6.0 792 551 A 49 ASP HA A 52 LEU H 1.0 1.8 4.5 793 552 A 52 LEU H A 49 ASP HBx 1.0 1.8 6.0 794 552 A 49 ASP HBy A 52 LEU H 1.0 1.8 6.0 795 553 A 51 LEU HBx A 52 LEU H 1.0 1.8 4.5 796 554 A 52 LEU H A 51 LEU HBy 1.0 1.8 4.5 797 555 A 52 LEU H A 51 LEU HDx% 1.0 1.8 6.0 798 555 A 51 LEU HD21 A 52 LEU H 1.0 1.8 6.0 799 556 A 52 LEU H A 51 LEU H 1.0 1.8 3.5 800 557 A 52 LEU H A 52 LEU HA 1.0 1.8 3.5 801 558 A 52 LEU HBx A 52 LEU H 1.0 1.8 3.5 802 559 A 52 LEU H A 52 LEU HBy 1.0 1.8 3.5 803 560 A 52 LEU H A 52 LEU HD21 1.0 1.8 6.0 804 560 A 52 LEU HDx% A 52 LEU H 1.0 1.8 6.0 805 561 A 52 LEU HG A 52 LEU H 1.0 1.8 4.5 806 562 A 52 LEU H A 53 ALA HB% 1.0 1.8 6.0 807 563 A 52 LEU H A 55 LEU HDy% 1.0 1.8 6.0 808 563 A 55 LEU HDx% A 52 LEU H 1.0 1.8 6.0 809 564 A 26 LEU HG A 52 LEU HDx% 1.0 1.8 6.0 810 565 A 52 LEU HDx% A 56 LYS HEy 1.0 1.8 6.0 811 565 A 52 LEU HD21 A 56 LYS HEy 1.0 1.8 6.0 812 565 A 56 LYS HEx A 52 LEU HD21 1.0 1.8 6.0 813 565 A 52 LEU HDx% A 56 LYS HEx 1.0 1.8 6.0 814 566 A 26 LEU HG A 52 LEU HD21 1.0 1.8 6.0 815 567 A 49 ASP HA A 53 ALA H 1.0 1.8 4.5 816 568 A 50 THR H A 53 ALA H 1.0 1.8 6.0 817 569 A 52 LEU HA A 53 ALA H 1.0 1.8 4.5 818 570 A 52 LEU HBx A 53 ALA H 1.0 1.8 4.5 819 571 A 53 ALA H A 52 LEU HBy 1.0 1.8 4.5 820 572 A 53 ALA H A 52 LEU HBy 1.0 1.8 3.5 821 572 A 52 LEU HBx A 53 ALA H 1.0 1.8 3.5 822 573 A 53 ALA H A 52 LEU HD21 1.0 1.8 6.0 823 573 A 52 LEU HDx% A 53 ALA H 1.0 1.8 6.0 824 574 A 52 LEU HG A 53 ALA H 1.0 1.8 4.5 825 575 A 52 LEU H A 53 ALA H 1.0 1.8 3.5 826 576 A 53 ALA H A 53 ALA HA 1.0 1.8 3.5 827 577 A 53 ALA HB% A 53 ALA H 1.0 1.8 4.5 828 578 A 53 ALA H A 55 LEU H 1.0 1.8 6.0 829 579 A 53 ALA H A 56 LYS H 1.0 1.8 6.0 830 580 A 54 THR H A 26 LEU HBy 1.0 1.8 6.0 831 580 A 26 LEU HBx A 54 THR H 1.0 1.8 6.0 832 581 A 54 THR H A 26 LEU HDx% 1.0 1.8 6.0 833 581 A 26 LEU HD21 A 54 THR H 1.0 1.8 6.0 834 582 A 51 LEU HA A 54 THR H 1.0 1.8 4.5 835 583 A 54 THR H A 51 LEU HDx% 1.0 1.8 6.0 836 583 A 51 LEU HD21 A 54 THR H 1.0 1.8 6.0 837 584 A 52 LEU H A 54 THR H 1.0 1.8 6.0 838 585 A 53 ALA HA A 54 THR H 1.0 1.8 4.5 839 586 A 53 ALA HB% A 54 THR H 1.0 1.8 4.5 840 587 A 53 ALA H A 54 THR H 1.0 1.8 3.5 841 588 A 54 THR H A 54 THR HA 1.0 1.8 3.5 842 589 A 54 THR H A 54 THR HB 1.0 1.8 3.5 843 590 A 54 THR HG2% A 54 THR H 1.0 1.8 4.5 844 591 A 56 LYS H A 54 THR H 1.0 1.8 6.0 845 592 A 54 THR H A 57 LYS HGx 1.0 1.8 6.0 846 592 A 54 THR H A 57 LYS HGy 1.0 1.8 6.0 847 593 A 22 VAL HB A 54 THR HG2% 1.0 1.8 6.0 848 594 A 52 LEU HA A 55 LEU H 1.0 1.8 4.5 849 595 A 55 LEU H A 54 THR HA 1.0 1.8 6.0 850 596 A 55 LEU H A 54 THR HB 1.0 1.8 3.5 851 597 A 55 LEU H A 54 THR H 1.0 1.8 3.5 852 598 A 55 LEU HA A 55 LEU H 1.0 1.8 3.5 853 599 A 55 LEU H A 55 LEU HBx 1.0 1.8 3.5 854 600 A 55 LEU H A 55 LEU HBy 1.0 1.8 3.5 855 601 A 55 LEU HDx% A 55 LEU H 1.0 1.8 6.0 856 602 A 55 LEU H A 55 LEU HDy% 1.0 1.8 6.0 857 603 A 55 LEU H A 55 LEU HG 1.0 1.8 4.5 858 604 A 55 LEU HDx% A 19 VAL HGx% 1.0 1.8 6.0 859 604 A 55 LEU HDx% A 19 VAL HGy% 1.0 1.8 6.0 860 605 A 55 LEU HDx% A 23 LEU HDy% 1.0 1.8 6.0 861 605 A 23 LEU HDy% A 55 LEU HDy% 1.0 1.8 6.0 862 606 A 55 LEU HDx% A 51 LEU HBx 1.0 1.8 6.0 863 606 A 55 LEU HDx% A 51 LEU HBy 1.0 1.8 6.0 864 607 A 52 LEU HBy A 55 LEU HDy% 1.0 1.8 6.0 865 607 A 52 LEU HBx A 55 LEU HDy% 1.0 1.8 6.0 866 607 A 55 LEU HDx% A 52 LEU HBy 1.0 1.8 6.0 867 607 A 55 LEU HDx% A 52 LEU HBx 1.0 1.8 6.0 868 608 A 52 LEU HG A 55 LEU HDy% 1.0 1.8 6.0 869 608 A 55 LEU HDx% A 52 LEU HG 1.0 1.8 6.0 870 609 A 19 VAL HGy% A 55 LEU HDy% 1.0 1.8 6.0 871 609 A 19 VAL HGx% A 55 LEU HDy% 1.0 1.8 6.0 872 610 A 31 TYR HBx A 55 LEU HDy% 1.0 1.8 6.0 873 610 A 31 TYR HBy A 55 LEU HDy% 1.0 1.8 6.0 874 610 A 55 LEU HDx% A 31 TYR HBx 1.0 1.8 6.0 875 610 A 55 LEU HDx% A 31 TYR HBy 1.0 1.8 6.0 876 611 A 51 LEU HBx A 55 LEU HDy% 1.0 1.8 6.0 877 611 A 51 LEU HBy A 55 LEU HDy% 1.0 1.8 6.0 878 612 A 52 LEU HBy A 55 LEU HDy% 1.0 1.8 6.0 879 612 A 52 LEU HBx A 55 LEU HDy% 1.0 1.8 6.0 880 612 A 55 LEU HDx% A 52 LEU HBy 1.0 1.8 6.0 881 612 A 55 LEU HDx% A 52 LEU HBx 1.0 1.8 6.0 882 613 A 55 LEU HDy% A 63 SER HBy 1.0 1.8 6.0 883 613 A 55 LEU HDx% A 63 SER HBy 1.0 1.8 6.0 884 613 A 63 SER HBx A 55 LEU HDy% 1.0 1.8 6.0 885 613 A 55 LEU HDx% A 63 SER HBx 1.0 1.8 6.0 886 614 A 56 LYS H A 55 LEU HBy 1.0 1.8 4.5 887 614 A 56 LYS H A 55 LEU HBx 1.0 1.8 4.5 888 615 A 56 LYS H A 55 LEU HDy% 1.0 1.8 6.0 889 615 A 55 LEU HDx% A 56 LYS H 1.0 1.8 6.0 890 616 A 55 LEU H A 56 LYS H 1.0 1.8 3.5 891 617 A 56 LYS H A 56 LYS HA 1.0 1.8 4.5 892 618 A 56 LYS H A 56 LYS HBx 1.0 1.8 4.5 893 619 A 56 LYS H A 56 LYS HBy 1.0 1.8 4.5 894 620 A 56 LYS H A 56 LYS HBx 1.0 1.8 3.5 895 620 A 56 LYS H A 56 LYS HBy 1.0 1.8 3.5 896 621 A 56 LYS H A 56 LYS HDx 1.0 1.8 3.5 897 621 A 56 LYS H A 56 LYS HDy 1.0 1.8 3.5 898 622 A 56 LYS H A 56 LYS HGx 1.0 1.8 4.5 899 622 A 56 LYS H A 56 LYS HGy 1.0 1.8 4.5 900 623 A 56 LYS H A 57 LYS HBx 1.0 1.8 6.0 901 623 A 57 LYS HBy A 56 LYS H 1.0 1.8 6.0 902 624 A 56 LYS H A 62 VAL HGy% 1.0 1.8 6.0 903 624 A 56 LYS H A 62 VAL HGx% 1.0 1.8 6.0 904 625 A 57 LYS H A 19 VAL HGy% 1.0 1.8 6.0 905 625 A 19 VAL HGx% A 57 LYS H 1.0 1.8 6.0 906 626 A 53 ALA HA A 57 LYS H 1.0 1.8 4.5 907 627 A 54 THR HA A 57 LYS H 1.0 1.8 4.5 908 628 A 55 LEU HA A 57 LYS H 1.0 1.8 6.0 909 629 A 57 LYS H A 55 LEU HBy 1.0 1.8 6.0 910 629 A 55 LEU HBx A 57 LYS H 1.0 1.8 6.0 911 630 A 56 LYS HA A 57 LYS H 1.0 1.8 6.0 912 631 A 56 LYS H A 57 LYS H 1.0 1.8 4.5 913 632 A 57 LYS H A 57 LYS HA 1.0 1.8 3.5 914 633 A 57 LYS H A 57 LYS HBx 1.0 1.8 3.5 915 634 A 57 LYS HBy A 57 LYS H 1.0 1.8 3.5 916 635 A 57 LYS H A 57 LYS HDx 1.0 1.8 4.5 917 635 A 57 LYS H A 57 LYS HDy 1.0 1.8 4.5 918 636 A 57 LYS H A 57 LYS HEx 1.0 1.8 6.0 919 636 A 57 LYS H A 57 LYS HEy 1.0 1.8 6.0 920 637 A 57 LYS H A 57 LYS HGx 1.0 1.8 4.5 921 638 A 57 LYS HGy A 57 LYS H 1.0 1.8 4.5 922 639 A 16 ALA HA A 58 THR H 1.0 1.8 4.5 923 640 A 58 THR H A 19 VAL HGy% 1.0 1.8 6.0 924 640 A 19 VAL HGx% A 58 THR H 1.0 1.8 6.0 925 641 A 55 LEU HA A 58 THR H 1.0 1.8 4.5 926 642 A 58 THR H A 55 LEU HDy% 1.0 1.8 6.0 927 642 A 55 LEU HDx% A 58 THR H 1.0 1.8 6.0 928 643 A 56 LYS H A 58 THR H 1.0 1.8 6.0 929 644 A 57 LYS HA A 58 THR H 1.0 1.8 4.5 930 645 A 58 THR H A 57 LYS HBx 1.0 1.8 4.5 931 646 A 57 LYS HBy A 58 THR H 1.0 1.8 4.5 932 647 A 58 THR H A 57 LYS HDx 1.0 1.8 6.0 933 647 A 57 LYS HDy A 58 THR H 1.0 1.8 6.0 934 648 A 58 THR H A 57 LYS HGx 1.0 1.8 6.0 935 649 A 57 LYS HGy A 58 THR H 1.0 1.8 6.0 936 650 A 57 LYS H A 58 THR H 1.0 1.8 3.5 937 651 A 58 THR H A 58 THR HA 1.0 1.8 4.5 938 652 A 58 THR H A 58 THR HB 1.0 1.8 4.5 939 653 A 58 THR H A 58 THR HG1 1.0 1.8 3.5 940 654 A 58 THR HG2% A 58 THR H 1.0 1.8 3.5 941 655 A 58 THR H A 59 GLY H 1.0 1.8 3.5 942 656 A 19 VAL HA A 58 THR HG2% 1.0 1.8 6.0 943 657 A 56 LYS HA A 59 GLY H 1.0 1.8 6.0 944 658 A 57 LYS HA A 59 GLY H 1.0 1.8 6.0 945 659 A 59 GLY H A 57 LYS HBx 1.0 1.8 6.0 946 659 A 57 LYS HBy A 59 GLY H 1.0 1.8 6.0 947 660 A 58 THR HA A 59 GLY H 1.0 1.8 4.5 948 661 A 58 THR HB A 59 GLY H 1.0 1.8 4.5 949 662 A 58 THR HG1 A 59 GLY H 1.0 1.8 6.0 950 663 A 58 THR HG2% A 59 GLY H 1.0 1.8 6.0 951 664 A 59 GLY H A 59 GLY HAx 1.0 1.8 3.5 952 665 A 59 GLY H A 59 GLY HAy 1.0 1.8 3.5 953 666 A 60 ALA HB% A 59 GLY H 1.0 1.8 6.0 954 667 A 60 ALA H A 8 VAL HGy% 1.0 1.8 6.0 955 667 A 8 VAL HGx% A 60 ALA H 1.0 1.8 6.0 956 668 A 58 THR HA A 60 ALA H 1.0 1.8 6.0 957 669 A 59 GLY HAx A 60 ALA H 1.0 1.8 4.5 958 670 A 59 GLY HAy A 60 ALA H 1.0 1.8 4.5 959 671 A 59 GLY H A 60 ALA H 1.0 1.8 3.5 960 672 A 60 ALA H A 60 ALA HA 1.0 1.8 3.5 961 673 A 60 ALA HB% A 60 ALA H 1.0 1.8 3.5 962 674 A 60 ALA HB% A 8 VAL HGy% 1.0 1.8 6.0 963 674 A 8 VAL HGx% A 60 ALA HB% 1.0 1.8 6.0 964 675 A 61 THR H A 8 VAL HGy% 1.0 1.8 6.0 965 675 A 8 VAL HGx% A 61 THR H 1.0 1.8 6.0 966 676 A 9 ASP HBx A 61 THR H 1.0 1.8 4.5 967 677 A 9 ASP HBy A 61 THR H 1.0 1.8 4.5 968 678 A 9 ASP H A 61 THR H 1.0 1.8 6.0 969 679 A 10 MET HA A 61 THR H 1.0 1.8 6.0 970 680 A 61 THR H A 60 ALA HA 1.0 1.8 2.5 971 681 A 60 ALA HB% A 61 THR H 1.0 1.8 4.5 972 682 A 61 THR H A 60 ALA H 1.0 1.8 6.0 973 683 A 61 THR H A 61 THR HA 1.0 1.8 3.5 974 684 A 61 THR HB A 61 THR H 1.0 1.8 3.5 975 685 A 61 THR HG2% A 61 THR H 1.0 1.8 4.5 976 686 A 61 THR H A 62 VAL HGy% 1.0 1.8 6.0 977 686 A 61 THR H A 62 VAL HGx% 1.0 1.8 6.0 978 687 A 61 THR HA A 62 VAL H 1.0 1.8 2.5 979 688 A 61 THR HB A 62 VAL H 1.0 1.8 6.0 980 689 A 61 THR HG2% A 62 VAL H 1.0 1.8 6.0 981 690 A 62 VAL HA A 62 VAL H 1.0 1.8 3.5 982 691 A 62 VAL H A 62 VAL HB 1.0 1.8 3.5 983 692 A 62 VAL HGx% A 62 VAL H 1.0 1.8 6.0 984 693 A 62 VAL H A 62 VAL HGy% 1.0 1.8 6.0 985 694 A 7 SER HBy A 62 VAL HGy% 1.0 1.8 6.0 986 694 A 7 SER HBx A 62 VAL HGy% 1.0 1.8 6.0 987 694 A 62 VAL HGx% A 7 SER HBx 1.0 1.8 6.0 988 694 A 7 SER HBy A 62 VAL HGx% 1.0 1.8 6.0 989 695 A 8 VAL HA A 62 VAL HGy% 1.0 1.8 6.0 990 695 A 8 VAL HA A 62 VAL HGx% 1.0 1.8 6.0 991 696 A 52 LEU HBx A 62 VAL HGy% 1.0 1.8 6.0 992 696 A 52 LEU HBy A 62 VAL HGy% 1.0 1.8 6.0 993 696 A 62 VAL HGx% A 52 LEU HBy 1.0 1.8 6.0 994 696 A 52 LEU HBx A 62 VAL HGx% 1.0 1.8 6.0 995 697 A 55 LEU HDy% A 62 VAL HGy% 1.0 1.8 6.0 996 697 A 62 VAL HGx% A 55 LEU HDy% 1.0 1.8 6.0 997 697 A 55 LEU HDx% A 62 VAL HGx% 1.0 1.8 6.0 998 697 A 55 LEU HDx% A 62 VAL HGy% 1.0 1.8 6.0 999 698 A 63 SER H A 6 PHE HBx 1.0 1.8 6.0 1000 698 A 6 PHE HBy A 63 SER H 1.0 1.8 6.0 1001 699 A 7 SER H A 63 SER H 1.0 1.8 4.5 1002 700 A 8 VAL HA A 63 SER H 1.0 1.8 4.5 1003 701 A 62 VAL HA A 63 SER H 1.0 1.8 2.5 1004 702 A 62 VAL HGx% A 63 SER H 1.0 1.8 6.0 1005 703 A 63 SER H A 62 VAL HGy% 1.0 1.8 6.0 1006 704 A 63 SER H A 63 SER HA 1.0 1.8 3.5 1007 705 A 63 SER H A 63 SER HBy 1.0 1.8 4.5 1008 706 A 63 SER HBx A 63 SER H 1.0 1.8 4.5 1009 707 A 6 PHE HD% A 64 TYR H 1.0 1.8 6.0 1010 708 A 64 TYR H A 52 LEU HD21 1.0 1.8 6.0 1011 708 A 52 LEU HDx% A 64 TYR H 1.0 1.8 6.0 1012 709 A 63 SER HA A 64 TYR H 1.0 1.8 2.5 1013 710 A 64 TYR H A 63 SER HBy 1.0 1.8 4.5 1014 711 A 63 SER HBx A 64 TYR H 1.0 1.8 4.5 1015 712 A 64 TYR HA A 64 TYR H 1.0 1.8 3.5 1016 713 A 64 TYR H A 64 TYR HBx 1.0 1.8 3.5 1017 713 A 64 TYR H A 64 TYR HBy 1.0 1.8 3.5 1018 714 A 64 TYR HD% A 64 TYR H 1.0 1.8 4.5 1019 715 A 65 LEU H A 6 PHE HA 1.0 1.8 3.5 1020 716 A 6 PHE HD% A 65 LEU H 1.0 1.8 6.0 1021 717 A 65 LEU H A 64 TYR HA 1.0 1.8 2.5 1022 718 A 65 LEU H A 64 TYR HBx 1.0 1.8 4.5 1023 718 A 65 LEU H A 64 TYR HBy 1.0 1.8 4.5 1024 719 A 65 LEU H A 64 TYR H 1.0 1.8 4.5 1025 720 A 64 TYR HD% A 65 LEU H 1.0 1.8 4.5 1026 721 A 65 LEU H A 65 LEU HA 1.0 1.8 4.5 1027 722 A 65 LEU H A 65 LEU HBx 1.0 1.8 4.5 1028 722 A 65 LEU HBy A 65 LEU H 1.0 1.8 4.5 1029 723 A 65 LEU H A 65 LEU HG 1.0 1.8 4.5 1030 724 A 65 LEU H A 65 LEU HDy% 1.0 1.8 6.0 1031 724 A 65 LEU HDx% A 65 LEU H 1.0 1.8 6.0 1032 725 A 65 LEU H A 66 GLY HAx 1.0 1.8 6.0 1033 725 A 65 LEU H A 66 GLY HAy 1.0 1.8 6.0 1034 726 A 5 GLU HA A 65 LEU HDy% 1.0 1.8 6.0 1035 726 A 5 GLU HA A 65 LEU HDx% 1.0 1.8 6.0 1036 727 A 5 GLU HBy A 65 LEU HDy% 1.0 1.8 6.0 1037 727 A 5 GLU HBx A 65 LEU HDy% 1.0 1.8 6.0 1038 727 A 65 LEU HDx% A 5 GLU HBx 1.0 1.8 6.0 1039 727 A 65 LEU HDx% A 5 GLU HBy 1.0 1.8 6.0 1040 728 A 7 SER HBy A 65 LEU HDy% 1.0 1.8 6.0 1041 728 A 7 SER HBx A 65 LEU HDy% 1.0 1.8 6.0 1042 728 A 65 LEU HDx% A 7 SER HBx 1.0 1.8 6.0 1043 728 A 65 LEU HDx% A 7 SER HBy 1.0 1.8 6.0 1044 729 A 39 LYS HEy A 65 LEU HDy% 1.0 1.8 6.0 1045 729 A 39 LYS HEx A 65 LEU HDy% 1.0 1.8 6.0 1046 729 A 65 LEU HDx% A 39 LYS HEx 1.0 1.8 6.0 1047 729 A 65 LEU HDx% A 39 LYS HEy 1.0 1.8 6.0 1048 730 A 64 TYR HBx A 65 LEU HDy% 1.0 1.8 6.0 1049 730 A 65 LEU HDx% A 64 TYR HBx 1.0 1.8 6.0 1050 730 A 65 LEU HDx% A 64 TYR HBy 1.0 1.8 6.0 1051 730 A 64 TYR HBy A 65 LEU HDy% 1.0 1.8 6.0 1052 731 A 66 GLY H A 4 HIS HD2 1.0 1.8 6.0 1053 731 A 4 HIS HD1 A 66 GLY H 1.0 1.8 6.0 1054 732 A 5 GLU H A 66 GLY H 1.0 1.8 6.0 1055 733 A 66 GLY H A 6 PHE HA 1.0 1.8 6.0 1056 734 A 64 TYR HD% A 66 GLY H 1.0 1.8 6.0 1057 735 A 66 GLY H A 65 LEU HA 1.0 1.8 4.5 1058 736 A 66 GLY H A 65 LEU HBx 1.0 1.8 4.5 1059 736 A 65 LEU HBy A 66 GLY H 1.0 1.8 4.5 1060 737 A 66 GLY H A 65 LEU HDy% 1.0 1.8 6.0 1061 737 A 65 LEU HDx% A 66 GLY H 1.0 1.8 6.0 1062 738 A 65 LEU H A 66 GLY H 1.0 1.8 4.5 1063 739 A 66 GLY H A 66 GLY HAx 1.0 1.8 3.5 1064 740 A 66 GLY H A 66 GLY HAy 1.0 1.8 3.5 1065 741 A 4 HIS HA A 67 LEU H 1.0 1.8 6.0 1066 742 A 67 LEU H A 4 HIS HD2 1.0 1.8 6.0 1067 742 A 4 HIS HD1 A 67 LEU H 1.0 1.8 6.0 1068 743 A 67 LEU H A 66 GLY HAx 1.0 1.8 3.5 1069 744 A 66 GLY HAy A 67 LEU H 1.0 1.8 3.5 1070 745 A 66 GLY H A 67 LEU H 1.0 1.8 4.5 1071 746 A 67 LEU H A 67 LEU HA 1.0 1.8 3.5 1072 747 A 67 LEU H A 67 LEU HBx 1.0 1.8 3.5 1073 747 A 67 LEU H A 67 LEU HBy 1.0 1.8 3.5 1074 748 A 67 LEU HDx% A 67 LEU H 1.0 1.8 6.0 1075 749 A 67 LEU H A 67 LEU HDy% 1.0 1.8 6.0 1076 750 A 3 LYS H A 68 GLU H 1.0 1.8 6.0 1077 751 A 68 GLU H A 4 HIS HA 1.0 1.8 6.0 1078 752 A 68 GLU H A 4 HIS HD2 1.0 1.8 6.0 1079 752 A 68 GLU H A 4 HIS HD1 1.0 1.8 6.0 1080 753 A 68 GLU H A 5 GLU H 1.0 1.8 6.0 1081 754 A 68 GLU H A 67 LEU HA 1.0 1.8 3.5 1082 755 A 68 GLU H A 67 LEU HBx 1.0 1.8 4.5 1083 755 A 68 GLU H A 67 LEU HBy 1.0 1.8 4.5 1084 756 A 68 GLU H A 67 LEU H 1.0 1.8 6.0 1085 757 A 68 GLU H A 68 GLU HA 1.0 1.8 3.5 1086 758 A 68 GLU H A 68 GLU HBx 1.0 1.8 3.5 1087 759 A 68 GLU H A 68 GLU HBy 1.0 1.8 3.5 1088 760 A 68 GLU H A 68 GLU HGx 1.0 1.8 6.0 1089 760 A 68 GLU H A 68 GLU HGy 1.0 1.8 6.0 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 PRO N A 2 PRO CA A 2 PRO C 1.0 -80.809 -52.291 PHI 2 2 A 2 PRO C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -128.354 -85.038 PHI 3 3 A 3 LYS C A 4 HIS N A 4 HIS CA A 4 HIS C 1.0 -143.409 -111.463 PHI 4 4 A 4 HIS C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -141.288 -102.074 PHI 5 5 A 5 GLU C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -143.564 -115.112 PHI 6 6 A 6 PHE C A 7 SER N A 7 SER CA A 7 SER C 1.0 -126.085 -95.727 PHI 7 7 A 7 SER C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -130.234 -97.554 PHI 8 8 A 8 VAL C A 9 ASP N A 9 ASP CA A 9 ASP C 1.0 -101.642 -76.510 PHI 9 9 A 9 ASP C A 10 MET N A 10 MET CA A 10 MET C 1.0 -103.499 -67.089 PHI 10 10 A 10 MET C A 11 THR N A 11 THR CA A 11 THR C 1.0 -108.879 -68.093 PHI 11 11 A 11 THR C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -107.270 -80.546 PHI 12 12 A 12 CYS C A 13 GLY N A 13 GLY CA A 13 GLY C 1.0 -127.594 -3.122 PHI 13 13 A 13 GLY C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 -64.053 -50.715 PHI 14 14 A 14 GLY C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -85.622 -50.490 PHI 15 15 A 15 CYS C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -70.859 -55.701 PHI 16 16 A 16 ALA C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -73.035 -62.919 PHI 17 17 A 17 GLU C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -72.662 -60.548 PHI 18 18 A 18 ALA C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -69.098 -58.754 PHI 19 19 A 19 VAL C A 20 SER N A 20 SER CA A 20 SER C 1.0 -64.111 -58.723 PHI 20 20 A 20 SER C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -67.279 -56.717 PHI 21 21 A 21 ARG C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -71.092 -58.482 PHI 22 22 A 22 VAL C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -69.838 -61.436 PHI 23 23 A 23 LEU C A 24 ASN N A 24 ASN CA A 24 ASN C 1.0 -73.139 -54.949 PHI 24 24 A 24 ASN C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -67.345 -58.449 PHI 25 25 A 25 LYS C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -80.759 -61.763 PHI 26 26 A 26 LEU C A 27 GLY N A 27 GLY CA A 27 GLY C 1.0 -99.938 -77.196 PHI 27 27 A 27 GLY C A 28 GLY N A 28 GLY CA A 28 GLY C 1.0 55.495 81.509 PHI 28 28 A 28 GLY C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -146.649 -119.253 PHI 29 29 A 30 LYS C A 31 TYR N A 31 TYR CA A 31 TYR C 1.0 -149.014 -124.142 PHI 30 30 A 31 TYR C A 32 ASP N A 32 ASP CA A 32 ASP C 1.0 -162.365 -130.179 PHI 31 31 A 32 ASP C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -118.295 -91.449 PHI 32 32 A 33 ILE C A 34 ASP N A 34 ASP CA A 34 ASP C 1.0 -115.137 -78.729 PHI 33 33 A 34 ASP C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -60.116 -50.290 PHI 34 34 A 35 LEU C A 36 PRO N A 36 PRO CA A 36 PRO C 1.0 -63.688 -52.902 PHI 35 35 A 36 PRO C A 37 ASN N A 37 ASN CA A 37 ASN C 1.0 -105.428 -82.870 PHI 36 36 A 37 ASN C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 53.221 63.249 PHI 37 37 A 38 LYS C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -136.583 -100.627 PHI 38 38 A 39 LYS C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -139.086 -123.782 PHI 39 39 A 40 VAL C A 41 CYS N A 41 CYS CA A 41 CYS C 1.0 -121.789 -91.151 PHI 40 40 A 41 CYS C A 42 ILE N A 42 ILE CA A 42 ILE C 1.0 -126.510 -114.084 PHI 41 41 A 42 ILE C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -131.378 -109.010 PHI 42 42 A 43 GLU C A 44 SER N A 44 SER CA A 44 SER C 1.0 -144.794 -76.766 PHI 43 43 A 44 SER C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -105.597 -67.393 PHI 44 44 A 45 GLU C A 46 HIS N A 46 HIS CA A 46 HIS C 1.0 -114.286 -63.942 PHI 45 45 A 49 ASP C A 50 THR N A 50 THR CA A 50 THR C 1.0 -78.454 -59.222 PHI 46 46 A 50 THR C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -64.172 -56.664 PHI 47 47 A 51 LEU C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -67.472 -55.964 PHI 48 48 A 52 LEU C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -68.283 -57.013 PHI 49 49 A 53 ALA C A 54 THR N A 54 THR CA A 54 THR C 1.0 -67.915 -58.807 PHI 50 50 A 54 THR C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -63.405 -55.569 PHI 51 51 A 55 LEU C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -72.039 -60.125 PHI 52 52 A 57 LYS C A 58 THR N A 58 THR CA A 58 THR C 1.0 -117.459 -85.229 PHI 53 53 A 58 THR C A 59 GLY N A 59 GLY CA A 59 GLY C 1.0 73.020 117.152 PHI 54 54 A 59 GLY C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -105.520 -76.248 PHI 55 55 A 60 ALA C A 61 THR N A 61 THR CA A 61 THR C 1.0 -124.649 -59.307 PHI 56 56 A 61 THR C A 62 VAL N A 62 VAL CA A 62 VAL C 1.0 -133.311 -108.865 PHI 57 57 A 62 VAL C A 63 SER N A 63 SER CA A 63 SER C 1.0 -137.417 -96.355 PHI 58 58 A 63 SER C A 64 TYR N A 64 TYR CA A 64 TYR C 1.0 -98.496 -78.174 PHI 59 59 A 64 TYR C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -102.400 -72.524 PHI 60 60 A 65 LEU C A 66 GLY N A 66 GLY CA A 66 GLY C 1.0 120.846 212.764 PHI 61 61 A 66 GLY C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -145.556 -87.698 PHI 62 62 A 2 PRO N A 2 PRO CA A 2 PRO C A 3 LYS N 1.0 136.631 164.549 PSI 63 63 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 HIS N 1.0 109.779 149.999 PSI 64 64 A 4 HIS N A 4 HIS CA A 4 HIS C A 5 GLU N 1.0 126.242 148.290 PSI 65 65 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 PHE N 1.0 129.849 159.671 PSI 66 66 A 6 PHE N A 6 PHE CA A 6 PHE C A 7 SER N 1.0 140.000 163.484 PSI 67 67 A 7 SER N A 7 SER CA A 7 SER C A 8 VAL N 1.0 110.693 133.053 PSI 68 68 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 ASP N 1.0 114.451 136.387 PSI 69 69 A 9 ASP N A 9 ASP CA A 9 ASP C A 10 MET N 1.0 113.947 134.771 PSI 70 70 A 10 MET N A 10 MET CA A 10 MET C A 11 THR N 1.0 118.347 162.719 PSI 71 71 A 11 THR N A 11 THR CA A 11 THR C A 12 CYS N 1.0 -41.474 -15.814 PSI 72 72 A 15 CYS N A 15 CYS CA A 15 CYS C A 16 ALA N 1.0 -45.093 -23.903 PSI 73 73 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 GLU N 1.0 -39.953 -33.495 PSI 74 74 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 ALA N 1.0 -45.057 -33.119 PSI 75 75 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 VAL N 1.0 -44.787 -28.991 PSI 76 76 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 SER N 1.0 -45.605 -38.727 PSI 77 77 A 20 SER N A 20 SER CA A 20 SER C A 21 ARG N 1.0 -44.833 -34.415 PSI 78 78 A 21 ARG N A 21 ARG CA A 21 ARG C A 22 VAL N 1.0 -52.499 -40.941 PSI 79 79 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 LEU N 1.0 -47.876 -22.028 PSI 80 80 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 ASN N 1.0 -43.951 -34.881 PSI 81 81 A 24 ASN N A 24 ASN CA A 24 ASN C A 25 LYS N 1.0 -44.552 -30.482 PSI 82 82 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 LEU N 1.0 -44.315 -37.457 PSI 83 83 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 GLY N 1.0 -39.669 -26.797 PSI 84 84 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 TYR N 1.0 113.958 139.260 PSI 85 85 A 31 TYR N A 31 TYR CA A 31 TYR C A 32 ASP N 1.0 153.008 168.702 PSI 86 86 A 32 ASP N A 32 ASP CA A 32 ASP C A 33 ILE N 1.0 123.629 151.685 PSI 87 87 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 ASP N 1.0 108.576 130.110 PSI 88 88 A 34 ASP N A 34 ASP CA A 34 ASP C A 35 LEU N 1.0 100.966 161.080 PSI 89 89 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 PRO N 1.0 -52.826 -43.488 PSI 90 90 A 36 PRO N A 36 PRO CA A 36 PRO C A 37 ASN N 1.0 -30.088 -12.260 PSI 91 91 A 37 ASN N A 37 ASN CA A 37 ASN C A 38 LYS N 1.0 -12.420 11.072 PSI 92 92 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 LYS N 1.0 39.400 53.534 PSI 93 93 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 VAL N 1.0 133.127 169.287 PSI 94 94 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 CYS N 1.0 121.473 136.117 PSI 95 95 A 41 CYS N A 41 CYS CA A 41 CYS C A 42 ILE N 1.0 115.083 133.035 PSI 96 96 A 42 ILE N A 42 ILE CA A 42 ILE C A 43 GLU N 1.0 113.692 135.872 PSI 97 97 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 SER N 1.0 117.259 139.041 PSI 98 98 A 44 SER N A 44 SER CA A 44 SER C A 45 GLU N 1.0 135.245 164.383 PSI 99 99 A 50 THR N A 50 THR CA A 50 THR C A 51 LEU N 1.0 -46.190 -29.740 PSI 100 100 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 LEU N 1.0 -54.485 -39.755 PSI 101 101 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 ALA N 1.0 -51.734 -41.546 PSI 102 102 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 THR N 1.0 -46.494 -26.002 PSI 103 103 A 54 THR N A 54 THR CA A 54 THR C A 55 LEU N 1.0 -50.236 -40.950 PSI 104 104 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 LYS N 1.0 -44.650 -37.058 PSI 105 105 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 THR N 1.0 -52.077 -33.945 PSI 106 106 A 58 THR N A 58 THR CA A 58 THR C A 59 GLY N 1.0 -39.003 19.069 PSI 107 107 A 59 GLY N A 59 GLY CA A 59 GLY C A 60 ALA N 1.0 -8.841 15.551 PSI 108 108 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 THR N 1.0 126.245 148.253 PSI 109 109 A 61 THR N A 61 THR CA A 61 THR C A 62 VAL N 1.0 112.930 139.760 PSI 110 110 A 62 VAL N A 62 VAL CA A 62 VAL C A 63 SER N 1.0 131.136 154.794 PSI 111 111 A 63 SER N A 63 SER CA A 63 SER C A 64 TYR N 1.0 113.289 151.185 PSI 112 112 A 64 TYR N A 64 TYR CA A 64 TYR C A 65 LEU N 1.0 106.270 142.028 PSI 113 113 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 GLY N 1.0 -50.980 2.356 PSI 114 114 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 GLU N 1.0 129.644 152.146 PSI stop_ save_