data_nef_c30289_5vnt save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5VNT stop_ 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 20 LEU start . . 2 A 21 PRO middle . false 3 A 22 ALA middle . . 4 A 23 HIS middle . . 5 A 24 PRO middle . false 6 A 25 TYR middle . . 7 A 26 ASP middle . . 8 A 27 ARG middle . . 9 A 28 LEU middle . . 10 A 29 LYS middle . . 11 A 30 THR middle . . 12 A 31 THR middle . . 13 A 32 SER middle . . 14 A 33 THR middle . . 15 A 34 ASP middle . . 16 A 35 PRO middle . false 17 A 36 VAL middle . . 18 A 37 SER middle . . 19 A 38 ASP middle . . 20 A 39 ILE middle . . 21 A 40 ASP middle . . 22 A 41 VAL middle . . 23 A 42 THR middle . . 24 A 43 ARG middle . . 25 A 44 ARG middle . . 26 A 45 GLU middle . . 27 A 46 ALA middle . . 28 A 47 TYR middle . . 29 A 48 LEU middle . . 30 A 49 SER middle . . 31 A 50 SER middle . . 32 A 51 GLU middle . . 33 A 52 GLU middle . . 34 A 53 PHE middle . . 35 A 54 LYS middle . . 36 A 55 GLU middle . . 37 A 56 LYS middle . . 38 A 57 PHE middle . . 39 A 58 GLY middle . false 40 A 59 MET middle . . 41 A 60 THR middle . . 42 A 61 LYS middle . . 43 A 62 GLU middle . . 44 A 63 ALA middle . . 45 A 64 PHE middle . . 46 A 65 TYR middle . . 47 A 66 LYS middle . . 48 A 67 LEU middle . . 49 A 68 PRO middle . false 50 A 69 LYS middle . . 51 A 70 TRP middle . . 52 A 71 LYS middle . . 53 A 72 GLN middle . . 54 A 73 ASN middle . . 55 A 74 LYS middle . . 56 A 75 PHE middle . . 57 A 76 LYS middle . . 58 A 77 MET middle . . 59 A 78 ALA middle . . 60 A 79 VAL middle . . 61 A 80 GLN middle . . 62 A 81 LEU middle . . 63 A 82 PHE end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 20 LEU H1 H 1 8.066 . A 20 LEU C C 13 174.812 . A 20 LEU CA C 13 52.826 . A 20 LEU CB C 13 41.543 . A 20 LEU N N 15 124.329 . A 21 PRO HA H 1 4.303 . A 21 PRO HBy H 1 2.160 . A 21 PRO HBx H 1 1.540 . A 21 PRO CA C 13 62.660 . A 21 PRO CB C 13 32.140 . A 21 PRO CG C 13 27.252 . A 22 ALA H H 1 7.652 . A 22 ALA HA H 1 5.237 . A 22 ALA HB% H 1 1.220 . A 22 ALA C C 13 178.084 . A 22 ALA CA C 13 50.095 . A 22 ALA CB C 13 19.704 . A 22 ALA N N 15 120.588 . A 23 HIS H H 1 9.011 . A 23 HIS HA H 1 5.332 . A 23 HIS HBy H 1 2.740 . A 23 HIS HBx H 1 2.520 . A 23 HIS HD2 H 1 6.490 . A 23 HIS C C 13 173.127 . A 23 HIS CA C 13 53.149 . A 23 HIS CB C 13 33.724 . A 23 HIS CD2 C 13 117.758 . A 23 HIS N N 15 120.710 . A 24 PRO HA H 1 4.731 . A 24 PRO HBy H 1 2.679 . A 24 PRO HBx H 1 1.961 . A 24 PRO CA C 13 62.303 . A 24 PRO CB C 13 32.629 . A 24 PRO CG C 13 27.793 . A 24 PRO N N 15 134.493 . A 25 TYR H H 1 9.882 . A 25 TYR HA H 1 3.981 . A 25 TYR HBy H 1 3.089 . A 25 TYR HBx H 1 2.950 . A 25 TYR HDx H 1 7.054 . A 25 TYR HDy H 1 7.054 . A 25 TYR HEx H 1 6.836 . A 25 TYR HEy H 1 6.836 . A 25 TYR C C 13 176.871 . A 25 TYR CA C 13 62.564 . A 25 TYR CB C 13 38.077 . A 25 TYR CDx C 13 133.165 . A 25 TYR CDy C 13 133.165 . A 25 TYR CEx C 13 117.923 . A 25 TYR CEy C 13 117.923 . A 25 TYR N N 15 127.170 . A 26 ASP H H 1 9.003 . A 26 ASP HA H 1 4.061 . A 26 ASP HBy H 1 2.650 . A 26 ASP HBx H 1 2.590 . A 26 ASP C C 13 177.889 . A 26 ASP CA C 13 57.419 . A 26 ASP CB C 13 40.922 . A 26 ASP N N 15 115.049 . A 27 ARG H H 1 7.763 . A 27 ARG C C 13 175.618 . A 27 ARG CA C 13 56.742 . A 27 ARG CB C 13 33.161 . A 27 ARG CG C 13 29.639 . A 27 ARG N N 15 114.870 . A 28 LEU H H 1 7.430 . A 28 LEU HA H 1 4.088 . A 28 LEU HBy H 1 1.625 . A 28 LEU HBx H 1 1.254 . A 28 LEU HDx% H 1 0.741 . A 28 LEU HDy% H 1 1.034 . A 28 LEU HG H 1 1.451 . A 28 LEU C C 13 176.377 . A 28 LEU CA C 13 55.140 . A 28 LEU CB C 13 46.282 . A 28 LEU CDx C 13 23.190 . A 28 LEU CG C 13 26.373 . A 28 LEU N N 15 120.685 . A 29 LYS H H 1 7.348 . A 29 LYS HA H 1 4.536 . A 29 LYS HBy H 1 1.817 . A 29 LYS HBx H 1 1.046 . A 29 LYS C C 13 179.090 . A 29 LYS CA C 13 55.425 . A 29 LYS CB C 13 32.075 . A 29 LYS N N 15 116.316 . A 30 THR H H 1 9.540 . A 30 THR HA H 1 3.845 . A 30 THR HB H 1 4.390 . A 30 THR HG2% H 1 1.161 . A 30 THR C C 13 179.095 . A 30 THR CA C 13 65.114 . A 30 THR CB C 13 68.000 . A 30 THR CG2 C 13 21.691 . A 30 THR N N 15 114.550 . A 31 THR H H 1 6.964 . A 31 THR HA H 1 4.331 . A 31 THR HB H 1 4.527 . A 31 THR HG2% H 1 1.154 . A 31 THR C C 13 174.827 . A 31 THR CA C 13 60.223 . A 31 THR CB C 13 68.152 . A 31 THR CG2 C 13 22.329 . A 31 THR N N 15 106.745 . A 32 SER H H 1 7.261 . A 32 SER HA H 1 3.945 . A 32 SER HBy H 1 4.015 . A 32 SER HBx H 1 3.391 . A 32 SER C C 13 176.592 . A 32 SER CA C 13 59.050 . A 32 SER CB C 13 64.355 . A 32 SER N N 15 116.041 . A 33 THR H H 1 8.751 . A 33 THR HA H 1 4.416 . A 33 THR HG2% H 1 1.263 . A 33 THR C C 13 173.979 . A 33 THR CA C 13 61.869 . A 33 THR CB C 13 68.702 . A 33 THR CG2 C 13 21.832 . A 33 THR N N 15 117.344 . A 34 ASP H H 1 8.483 . A 34 ASP HA H 1 4.899 . A 34 ASP C C 13 171.748 . A 34 ASP CA C 13 52.000 . A 34 ASP CB C 13 41.008 . A 34 ASP N N 15 121.893 . A 35 PRO HA H 1 4.645 . A 35 PRO HBy H 1 2.179 . A 35 PRO HBx H 1 1.767 . A 35 PRO CA C 13 62.654 . A 35 PRO CB C 13 32.552 . A 35 PRO CG C 13 27.120 . A 35 PRO N N 15 136.548 . A 36 VAL H H 1 7.563 . A 36 VAL HA H 1 4.080 . A 36 VAL HB H 1 1.451 . A 36 VAL HGx% H 1 0.322 . A 36 VAL HGy% H 1 0.298 . A 36 VAL C C 13 175.173 . A 36 VAL CA C 13 61.056 . A 36 VAL CB C 13 32.113 . A 36 VAL CGx C 13 20.232 . A 36 VAL N N 15 118.785 . A 37 SER H H 1 8.245 . A 37 SER HA H 1 4.404 . A 37 SER HBy H 1 3.789 . A 37 SER HBx H 1 3.758 . A 37 SER C C 13 173.944 . A 37 SER CA C 13 58.458 . A 37 SER CB C 13 64.481 . A 37 SER N N 15 119.557 . A 38 ASP H H 1 8.418 . A 38 ASP HA H 1 4.437 . A 38 ASP HBy H 1 2.730 . A 38 ASP HBx H 1 2.648 . A 38 ASP C C 13 175.157 . A 38 ASP CA C 13 54.840 . A 38 ASP CB C 13 39.230 . A 38 ASP N N 15 118.301 . A 39 ILE H H 1 7.024 . A 39 ILE HA H 1 4.254 . A 39 ILE HB H 1 1.130 . A 39 ILE C C 13 175.026 . A 39 ILE CA C 13 59.502 . A 39 ILE CB C 13 41.813 . A 39 ILE N N 15 110.032 . A 40 ASP H H 1 8.261 . A 40 ASP HA H 1 4.770 . A 40 ASP HBy H 1 3.177 . A 40 ASP HBx H 1 2.696 . A 40 ASP C C 13 177.636 . A 40 ASP CA C 13 52.771 . A 40 ASP CB C 13 40.191 . A 40 ASP N N 15 119.598 . A 41 VAL H H 1 8.038 . A 41 VAL HA H 1 3.854 . A 41 VAL HB H 1 2.405 . A 41 VAL HGx% H 1 1.011 . A 41 VAL HGy% H 1 0.973 . A 41 VAL C C 13 177.282 . A 41 VAL CA C 13 63.982 . A 41 VAL CB C 13 30.629 . A 41 VAL CGy C 13 21.728 . A 41 VAL CGx C 13 17.433 . A 41 VAL N N 15 118.788 . A 42 THR H H 1 8.621 . A 42 THR HA H 1 4.580 . A 42 THR HB H 1 4.414 . A 42 THR HG2% H 1 1.294 . A 42 THR C C 13 175.406 . A 42 THR CA C 13 63.160 . A 42 THR CB C 13 69.340 . A 42 THR CG2 C 13 21.848 . A 42 THR N N 15 113.149 . A 43 ARG H H 1 7.986 . A 43 ARG HA H 1 5.282 . A 43 ARG HBy H 1 1.947 . A 43 ARG HBx H 1 1.702 . A 43 ARG C C 13 176.773 . A 43 ARG CA C 13 53.950 . A 43 ARG CB C 13 30.700 . A 43 ARG CD C 13 44.426 . A 43 ARG CG C 13 25.789 . A 43 ARG N N 15 122.561 . A 44 ARG H H 1 8.719 . A 44 ARG HA H 1 3.958 . A 44 ARG HBy H 1 1.965 . A 44 ARG HBx H 1 1.799 . A 44 ARG HDx H 1 1.575 . A 44 ARG C C 13 177.662 . A 44 ARG CA C 13 61.112 . A 44 ARG CB C 13 32.097 . A 44 ARG CG C 13 24.083 . A 44 ARG N N 15 118.770 . A 45 GLU H H 1 9.564 . A 45 GLU HA H 1 4.291 . A 45 GLU HBy H 1 2.038 . A 45 GLU HBx H 1 1.969 . A 45 GLU C C 13 176.278 . A 45 GLU CA C 13 57.967 . A 45 GLU CB C 13 27.979 . A 45 GLU CG C 13 35.654 . A 45 GLU N N 15 113.686 . A 46 ALA H H 1 7.979 . A 46 ALA HA H 1 4.068 . A 46 ALA HB% H 1 1.311 . A 46 ALA C C 13 178.122 . A 46 ALA CA C 13 53.731 . A 46 ALA CB C 13 18.772 . A 46 ALA N N 15 122.664 . A 47 TYR H H 1 7.340 . A 47 TYR HA H 1 4.353 . A 47 TYR HBy H 1 3.555 . A 47 TYR HBx H 1 3.149 . A 47 TYR HDx H 1 7.589 . A 47 TYR HDy H 1 7.589 . A 47 TYR HEx H 1 6.949 . A 47 TYR HEy H 1 6.949 . A 47 TYR C C 13 174.234 . A 47 TYR CA C 13 58.345 . A 47 TYR CB C 13 38.810 . A 47 TYR CDx C 13 134.390 . A 47 TYR CDy C 13 134.390 . A 47 TYR CEx C 13 118.544 . A 47 TYR CEy C 13 118.544 . A 47 TYR N N 15 113.526 . A 48 LEU H H 1 7.143 . A 48 LEU HA H 1 4.885 . A 48 LEU HBy H 1 2.291 . A 48 LEU HBx H 1 1.756 . A 48 LEU HDx% H 1 1.240 . A 48 LEU HDy% H 1 1.240 . A 48 LEU HG H 1 2.032 . A 48 LEU C C 13 178.442 . A 48 LEU CA C 13 54.238 . A 48 LEU CB C 13 44.051 . A 48 LEU CDx C 13 25.580 . A 48 LEU CDy C 13 25.580 . A 48 LEU CG C 13 27.284 . A 48 LEU N N 15 117.466 . A 49 SER H H 1 9.813 . A 49 SER HA H 1 4.465 . A 49 SER HBy H 1 4.471 . A 49 SER HBx H 1 4.075 . A 49 SER C C 13 176.871 . A 49 SER CA C 13 57.138 . A 49 SER CB C 13 64.469 . A 49 SER N N 15 118.558 . A 50 SER H H 1 9.231 . A 50 SER HA H 1 3.991 . A 50 SER HBx H 1 2.060 . A 50 SER HBy H 1 2.060 . A 50 SER CA C 13 62.551 . A 50 SER N N 15 117.527 . A 51 GLU H H 1 8.801 . A 51 GLU HA H 1 4.108 . A 51 GLU HBy H 1 2.071 . A 51 GLU HBx H 1 2.001 . A 51 GLU HGy H 1 2.403 . A 51 GLU HGx H 1 2.318 . A 51 GLU C C 13 179.332 . A 51 GLU CA C 13 60.037 . A 51 GLU CB C 13 29.387 . A 51 GLU CG C 13 36.732 . A 51 GLU N N 15 120.077 . A 52 GLU H H 1 8.167 . A 52 GLU HA H 1 4.171 . A 52 GLU HBy H 1 2.152 . A 52 GLU HBx H 1 2.085 . A 52 GLU C C 13 178.457 . A 52 GLU CA C 13 59.991 . A 52 GLU CB C 13 30.127 . A 52 GLU N N 15 121.652 . A 53 PHE H H 1 9.291 . A 53 PHE HA H 1 3.886 . A 53 PHE HBy H 1 3.252 . A 53 PHE HBx H 1 3.037 . A 53 PHE HDx H 1 7.243 . A 53 PHE HDy H 1 7.243 . A 53 PHE HEx H 1 6.151 . A 53 PHE HEy H 1 6.151 . A 53 PHE HZ H 1 5.234 . A 53 PHE C C 13 177.601 . A 53 PHE CA C 13 62.657 . A 53 PHE CB C 13 39.586 . A 53 PHE CDx C 13 132.286 . A 53 PHE CDy C 13 132.286 . A 53 PHE CEx C 13 130.541 . A 53 PHE CEy C 13 130.541 . A 53 PHE CZ C 13 129.286 . A 53 PHE N N 15 120.576 . A 54 LYS H H 1 7.914 . A 54 LYS HA H 1 4.296 . A 54 LYS HBx H 1 1.929 . A 54 LYS CA C 13 59.196 . A 54 LYS CB C 13 32.017 . A 54 LYS CD C 13 29.398 . A 54 LYS CG C 13 24.929 . A 54 LYS N N 15 118.748 . A 55 GLU H H 1 7.726 . A 55 GLU HA H 1 3.926 . A 55 GLU HBx H 1 2.116 . A 55 GLU HGx H 1 2.324 . A 55 GLU C C 13 178.270 . A 55 GLU CA C 13 59.331 . A 55 GLU CB C 13 29.730 . A 55 GLU CG C 13 35.963 . A 55 GLU N N 15 119.631 . A 56 LYS H H 1 7.887 . A 56 LYS HA H 1 3.880 . A 56 LYS HBy H 1 1.398 . A 56 LYS HBx H 1 0.857 . A 56 LYS C C 13 177.645 . A 56 LYS CA C 13 55.922 . A 56 LYS CB C 13 31.128 . A 56 LYS CD C 13 26.666 . A 56 LYS CG C 13 23.882 . A 56 LYS N N 15 114.836 . A 57 PHE H H 1 8.481 . A 57 PHE HA H 1 4.173 . A 57 PHE HBy H 1 2.528 . A 57 PHE HBx H 1 2.307 . A 57 PHE HDx H 1 6.269 . A 57 PHE HDy H 1 6.269 . A 57 PHE HEx H 1 6.467 . A 57 PHE HEy H 1 6.467 . A 57 PHE HZ H 1 6.549 . A 57 PHE C C 13 176.614 . A 57 PHE CA C 13 59.049 . A 57 PHE CB C 13 40.061 . A 57 PHE CDx C 13 131.532 . A 57 PHE CDy C 13 131.532 . A 57 PHE CEx C 13 129.254 . A 57 PHE CEy C 13 129.254 . A 57 PHE CZ C 13 127.298 . A 57 PHE N N 15 112.965 . A 58 GLY H H 1 8.147 . A 58 GLY HAy H 1 3.926 . A 58 GLY HAx H 1 3.889 . A 58 GLY C C 13 172.804 . A 58 GLY CA C 13 46.287 . A 58 GLY N N 15 108.582 . A 59 MET H H 1 7.497 . A 59 MET HA H 1 4.770 . A 59 MET HBy H 1 2.286 . A 59 MET HBx H 1 2.075 . A 59 MET C C 13 172.537 . A 59 MET CA C 13 53.340 . A 59 MET CB C 13 35.354 . A 59 MET CG C 13 29.331 . A 59 MET N N 15 113.013 . A 60 THR H H 1 8.071 . A 60 THR C C 13 175.869 . A 60 THR CA C 13 60.564 . A 60 THR CB C 13 71.000 . A 60 THR CG2 C 13 22.179 . A 60 THR N N 15 107.077 . A 61 LYS H H 1 8.314 . A 61 LYS HA H 1 2.985 . A 61 LYS HBy H 1 1.414 . A 61 LYS HBx H 1 1.248 . A 61 LYS C C 13 177.278 . A 61 LYS CA C 13 60.129 . A 61 LYS CB C 13 32.223 . A 61 LYS CD C 13 30.169 . A 61 LYS CG C 13 25.120 . A 61 LYS N N 15 120.947 . A 62 GLU H H 1 8.221 . A 62 GLU HA H 1 3.915 . A 62 GLU C C 13 178.855 . A 62 GLU CA C 13 59.724 . A 62 GLU CB C 13 29.035 . A 62 GLU CG C 13 36.500 . A 62 GLU N N 15 115.946 . A 63 ALA H H 1 7.419 . A 63 ALA HA H 1 3.951 . A 63 ALA HB% H 1 1.427 . A 63 ALA C C 13 180.542 . A 63 ALA CA C 13 54.560 . A 63 ALA CB C 13 19.134 . A 63 ALA N N 15 120.183 . A 64 PHE H H 1 8.243 . A 64 PHE HA H 1 4.091 . A 64 PHE HBy H 1 2.837 . A 64 PHE HBx H 1 2.771 . A 64 PHE C C 13 177.245 . A 64 PHE CA C 13 61.156 . A 64 PHE CB C 13 40.016 . A 64 PHE N N 15 121.629 . A 65 TYR H H 1 8.076 . A 65 TYR HDx H 1 7.141 . A 65 TYR HDy H 1 7.141 . A 65 TYR HEx H 1 6.705 . A 65 TYR HEy H 1 6.705 . A 65 TYR C C 13 176.639 . A 65 TYR CA C 13 60.128 . A 65 TYR CB C 13 36.741 . A 65 TYR CDx C 13 133.413 . A 65 TYR CDy C 13 133.413 . A 65 TYR CEx C 13 117.796 . A 65 TYR CEy C 13 117.796 . A 65 TYR N N 15 113.468 . A 66 LYS H H 1 7.134 . A 66 LYS C C 13 177.871 . A 66 LYS CA C 13 56.684 . A 66 LYS CB C 13 33.253 . A 66 LYS CG C 13 25.553 . A 66 LYS N N 15 117.111 . A 67 LEU N N 15 120.694 . A 68 PRO HA H 1 4.407 . A 68 PRO HBy H 1 2.437 . A 68 PRO HBx H 1 1.215 . A 68 PRO HDx H 1 3.810 . A 68 PRO HDy H 1 3.810 . A 68 PRO HGy H 1 2.121 . A 68 PRO HGx H 1 1.599 . A 68 PRO CA C 13 62.341 . A 68 PRO CB C 13 32.388 . A 68 PRO N N 15 134.361 . A 69 LYS H H 1 9.052 . A 69 LYS HA H 1 3.595 . A 69 LYS HBx H 1 1.974 . A 69 LYS HGx H 1 1.560 . A 69 LYS C C 13 178.145 . A 69 LYS CA C 13 59.175 . A 69 LYS CB C 13 31.329 . A 69 LYS CD C 13 28.476 . A 69 LYS CG C 13 24.254 . A 69 LYS N N 15 125.934 . A 70 TRP H H 1 8.300 . A 70 TRP HA H 1 4.408 . A 70 TRP HBy H 1 3.483 . A 70 TRP HBx H 1 3.267 . A 70 TRP HD1 H 1 7.595 . A 70 TRP HE1 H 1 10.535 . A 70 TRP HE3 H 1 7.036 . A 70 TRP HH2 H 1 7.228 . A 70 TRP HZ2 H 1 7.531 . A 70 TRP C C 13 178.393 . A 70 TRP CA C 13 59.228 . A 70 TRP CB C 13 26.839 . A 70 TRP CD1 C 13 128.199 . A 70 TRP CE3 C 13 122.000 . A 70 TRP CH2 C 13 124.939 . A 70 TRP CZ2 C 13 114.778 . A 70 TRP N N 15 114.817 . A 70 TRP NE1 N 15 130.454 . A 71 LYS H H 1 6.109 . A 71 LYS HA H 1 3.384 . A 71 LYS HBy H 1 1.058 . A 71 LYS HBx H 1 0.139 . A 71 LYS C C 13 177.544 . A 71 LYS CA C 13 59.016 . A 71 LYS CB C 13 32.371 . A 71 LYS CD C 13 29.695 . A 71 LYS CG C 13 24.956 . A 71 LYS N N 15 124.803 . A 72 GLN H H 1 7.529 . A 72 GLN HA H 1 3.553 . A 72 GLN HBx H 1 1.950 . A 72 GLN HE2y H 1 7.380 . A 72 GLN HE2x H 1 6.916 . A 72 GLN C C 13 179.424 . A 72 GLN CA C 13 59.138 . A 72 GLN CB C 13 28.209 . A 72 GLN CG C 13 32.719 . A 72 GLN N N 15 118.531 . A 72 GLN NE2 N 15 112.200 . A 73 ASN H H 1 8.376 . A 73 ASN HA H 1 4.584 . A 73 ASN HBy H 1 2.922 . A 73 ASN HBx H 1 2.530 . A 73 ASN HD2y H 1 7.748 . A 73 ASN HD2x H 1 7.148 . A 73 ASN C C 13 177.262 . A 73 ASN CA C 13 56.001 . A 73 ASN CB C 13 37.353 . A 73 ASN N N 15 115.958 . A 73 ASN ND2 N 15 110.010 . A 74 LYS H H 1 7.714 . A 74 LYS HA H 1 4.118 . A 74 LYS HBy H 1 2.033 . A 74 LYS HBx H 1 1.900 . A 74 LYS HEx H 1 3.066 . A 74 LYS HGy H 1 1.690 . A 74 LYS HGx H 1 1.485 . A 74 LYS C C 13 180.156 . A 74 LYS CA C 13 59.913 . A 74 LYS CB C 13 32.554 . A 74 LYS CG C 13 25.004 . A 74 LYS N N 15 122.102 . A 75 PHE H H 1 8.420 . A 75 PHE HA H 1 4.629 . A 75 PHE HBx H 1 3.575 . A 75 PHE HBy H 1 3.575 . A 75 PHE HDx H 1 7.345 . A 75 PHE HDy H 1 7.345 . A 75 PHE C C 13 179.616 . A 75 PHE CA C 13 60.047 . A 75 PHE CB C 13 38.322 . A 75 PHE CDx C 13 130.618 . A 75 PHE CDy C 13 130.618 . A 75 PHE N N 15 119.340 . A 76 LYS H H 1 8.840 . A 76 LYS HA H 1 4.077 . A 76 LYS HBy H 1 2.259 . A 76 LYS HBx H 1 1.840 . A 76 LYS C C 13 179.609 . A 76 LYS CA C 13 60.844 . A 76 LYS CB C 13 32.098 . A 76 LYS N N 15 117.993 . A 77 MET H H 1 8.959 . A 77 MET HA H 1 4.245 . A 77 MET HBy H 1 2.519 . A 77 MET HBx H 1 2.476 . A 77 MET HGx H 1 2.199 . A 77 MET HGy H 1 2.199 . A 77 MET C C 13 179.332 . A 77 MET CA C 13 59.742 . A 77 MET CB C 13 33.113 . A 77 MET N N 15 120.808 . A 78 ALA H H 1 7.634 . A 78 ALA HA H 1 4.248 . A 78 ALA HB% H 1 1.635 . A 78 ALA C C 13 178.684 . A 78 ALA CA C 13 54.842 . A 78 ALA CB C 13 18.580 . A 78 ALA N N 15 120.960 . A 79 VAL H H 1 7.040 . A 79 VAL HA H 1 4.696 . A 79 VAL HB H 1 2.293 . A 79 VAL HGx% H 1 0.640 . A 79 VAL HGy% H 1 0.580 . A 79 VAL C C 13 176.315 . A 79 VAL CA C 13 59.470 . A 79 VAL CB C 13 31.125 . A 79 VAL CGy C 13 20.861 . A 79 VAL CGx C 13 19.695 . A 79 VAL N N 15 105.069 . A 80 GLN H H 1 7.941 . A 80 GLN HA H 1 4.316 . A 80 GLN HBy H 1 2.574 . A 80 GLN HBx H 1 2.470 . A 80 GLN HE2y H 1 7.495 . A 80 GLN HE2x H 1 6.522 . A 80 GLN C C 13 174.741 . A 80 GLN CA C 13 58.749 . A 80 GLN CB C 13 24.992 . A 80 GLN N N 15 116.691 . A 80 GLN NE2 N 15 112.130 . A 81 LEU H H 1 8.571 . A 81 LEU HA H 1 4.881 . A 81 LEU HBy H 1 2.120 . A 81 LEU HBx H 1 1.505 . A 81 LEU HDx% H 1 0.867 . A 81 LEU HDy% H 1 1.120 . A 81 LEU HG H 1 1.510 . A 81 LEU C C 13 174.239 . A 81 LEU CA C 13 53.111 . A 81 LEU CB C 13 43.341 . A 81 LEU CDx C 13 23.580 . A 81 LEU CDy C 13 28.060 . A 81 LEU CG C 13 26.040 . A 81 LEU N N 15 113.473 . A 82 PHE H H 1 7.738 . A 82 PHE HA H 1 4.420 . A 82 PHE HBy H 1 3.026 . A 82 PHE HBx H 1 2.718 . A 82 PHE HDx H 1 7.279 . A 82 PHE HDy H 1 7.279 . A 82 PHE HEx H 1 7.370 . A 82 PHE HEy H 1 7.370 . A 82 PHE CA C 13 60.971 . A 82 PHE CB C 13 42.590 . A 82 PHE CDx C 13 131.665 . A 82 PHE CDy C 13 131.665 . A 82 PHE CEx C 13 131.540 . A 82 PHE CEy C 13 131.540 . A 82 PHE N N 15 126.903 . stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 21 PRO HA A 22 ALA H 1.0 . 2.94 2 2 A 22 ALA H A 21 PRO HBx 1.0 . 4.02 3 3 A 21 PRO HA A 22 ALA HB% 1.0 . 3.88 4 4 A 22 ALA H A 22 ALA HB% 1.0 . 3.28 5 5 A 22 ALA HA A 23 HIS H 1.0 . 3.25 6 6 A 22 ALA HB% A 23 HIS H 1.0 . 3.54 7 7 A 23 HIS H A 23 HIS HD2 1.0 . 5.22 8 8 A 24 PRO HA A 25 TYR H 1.0 . 3.55 9 9 A 25 TYR H A 25 TYR HBx 1.0 . 3.75 10 10 A 25 TYR H A 25 TYR HDx 1.0 . 4.72 11 11 A 25 TYR H A 25 TYR HDy 1.0 . 5.16 12 12 A 25 TYR HBx A 25 TYR HDy 1.0 . 3.18 13 13 A 25 TYR HBx A 25 TYR HEy 1.0 . 4.34 14 14 A 25 TYR HDy A 25 TYR HA 1.0 . 3.49 15 15 A 24 PRO HA A 26 ASP H 1.0 . 4.74 16 16 A 26 ASP H A 24 PRO HBx 1.0 . 4.01 17 17 A 26 ASP H A 24 PRO HBx 1.0 . 3.40 18 17 A 26 ASP H A 24 PRO HBy 1.0 . 3.40 19 18 A 25 TYR HBx A 26 ASP H 1.0 . 4.16 20 19 A 25 TYR H A 26 ASP H 1.0 . 4.01 21 20 A 25 TYR HDx A 26 ASP HA 1.0 . 3.92 22 21 A 25 TYR HDx A 26 ASP H 1.0 . 3.99 23 22 A 26 ASP HA A 25 TYR HEx 1.0 . 4.45 24 23 A 27 ARG H A 24 PRO HBx 1.0 . 4.94 25 24 A 27 ARG H A 24 PRO HBx 1.0 . 4.20 26 24 A 24 PRO HBy A 27 ARG H 1.0 . 4.20 27 25 A 26 ASP H A 27 ARG H 1.0 . 4.13 28 26 A 28 LEU HG A 23 HIS HBy 1.0 . 4.90 29 26 A 23 HIS HBx A 28 LEU HG 1.0 . 4.90 30 27 A 23 HIS HD2 A 28 LEU HDy% 1.0 . 4.51 31 28 A 23 HIS HD2 A 28 LEU HDx% 1.0 . 4.51 32 29 A 23 HIS HD2 A 28 LEU HG 1.0 . 5.15 33 30 A 28 LEU HDy% A 23 HIS HBy 1.0 . 4.11 34 30 A 23 HIS HBx A 28 LEU HDy% 1.0 . 4.11 35 31 A 23 HIS HBy A 28 LEU HDx% 1.0 . 4.11 36 31 A 23 HIS HBx A 28 LEU HDx% 1.0 . 4.11 37 32 A 23 HIS H A 28 LEU HDx% 1.0 . 4.61 38 32 A 23 HIS H A 28 LEU HDy% 1.0 . 4.61 39 33 A 23 HIS HBy A 28 LEU HDx% 1.0 . 3.45 40 33 A 23 HIS HBx A 28 LEU HDx% 1.0 . 3.45 41 33 A 28 LEU HDy% A 23 HIS HBy 1.0 . 3.45 42 33 A 23 HIS HBx A 28 LEU HDy% 1.0 . 3.45 43 34 A 23 HIS HD2 A 28 LEU HDx% 1.0 . 3.67 44 34 A 23 HIS HD2 A 28 LEU HDy% 1.0 . 3.67 45 35 A 25 TYR HA A 28 LEU HBy 1.0 . 3.69 46 35 A 25 TYR HA A 28 LEU HBx 1.0 . 3.69 47 36 A 25 TYR HA A 28 LEU HDx% 1.0 . 3.54 48 36 A 25 TYR HA A 28 LEU HDy% 1.0 . 3.54 49 37 A 25 TYR HDy A 28 LEU HDx% 1.0 . 4.13 50 37 A 25 TYR HDy A 28 LEU HDy% 1.0 . 4.13 51 38 A 27 ARG H A 28 LEU H 1.0 . 3.24 52 39 A 27 ARG H A 28 LEU HBy 1.0 . 4.33 53 39 A 27 ARG H A 28 LEU HBx 1.0 . 4.33 54 40 A 28 LEU HDy% A 28 LEU H 1.0 . 4.68 55 41 A 28 LEU HA A 28 LEU HDx% 1.0 . 4.16 56 42 A 28 LEU HDy% A 28 LEU HA 1.0 . 4.16 57 43 A 28 LEU H A 28 LEU HDx% 1.0 . 4.68 58 44 A 28 LEU H A 28 LEU HBy 1.0 . 3.31 59 44 A 28 LEU HBx A 28 LEU H 1.0 . 3.31 60 45 A 28 LEU H A 28 LEU HDx% 1.0 . 3.42 61 45 A 28 LEU HDy% A 28 LEU H 1.0 . 3.42 62 46 A 28 LEU HA A 28 LEU HDx% 1.0 . 3.06 63 46 A 28 LEU HDy% A 28 LEU HA 1.0 . 3.06 64 47 A 28 LEU HBx A 29 LYS H 1.0 . 4.24 65 48 A 28 LEU HG A 29 LYS H 1.0 . 4.34 66 49 A 29 LYS H A 28 LEU HBy 1.0 . 3.68 67 49 A 28 LEU HBx A 29 LYS H 1.0 . 3.68 68 50 A 29 LYS H A 28 LEU HDx% 1.0 . 4.33 69 50 A 28 LEU HDy% A 29 LYS H 1.0 . 4.33 70 51 A 29 LYS H A 29 LYS HBx 1.0 . 4.18 71 52 A 29 LYS HA A 30 THR H 1.0 . 3.45 72 53 A 30 THR H A 29 LYS HBx 1.0 . 4.51 73 54 A 29 LYS H A 30 THR H 1.0 . 5.46 74 55 A 30 THR H A 29 LYS HBy 1.0 . 3.88 75 55 A 30 THR H A 29 LYS HBx 1.0 . 3.88 76 56 A 30 THR HA A 30 THR HG2% 1.0 . 3.06 77 57 A 30 THR H A 30 THR HG2% 1.0 . 3.45 78 58 A 29 LYS HA A 31 THR H 1.0 . 5.17 79 59 A 31 THR H A 29 LYS HBy 1.0 . 4.65 80 59 A 29 LYS HBx A 31 THR H 1.0 . 4.65 81 60 A 30 THR H A 31 THR H 1.0 . 4.08 82 61 A 31 THR H A 31 THR HG2% 1.0 . 3.50 83 62 A 31 THR HG2% A 31 THR HA 1.0 . 3.10 84 63 A 32 SER H A 29 LYS HBy 1.0 . 4.60 85 63 A 29 LYS HBx A 32 SER H 1.0 . 4.60 86 64 A 32 SER H A 31 THR HB 1.0 . 4.51 87 65 A 31 THR H A 32 SER H 1.0 . 3.67 88 66 A 32 SER H A 32 SER HBx 1.0 . 3.68 89 67 A 32 SER H A 32 SER HBx 1.0 . 3.20 90 67 A 32 SER H A 32 SER HBy 1.0 . 3.20 91 68 A 33 THR HA A 33 THR HG2% 1.0 . 3.02 92 69 A 32 SER HA A 34 ASP H 1.0 . 3.77 93 70 A 34 ASP H A 32 SER HBx 1.0 . 4.57 94 70 A 32 SER HBy A 34 ASP H 1.0 . 4.57 95 71 A 23 HIS HD2 A 36 VAL HA 1.0 . 3.67 96 72 A 23 HIS HBx A 36 VAL HGy% 1.0 . 3.91 97 72 A 23 HIS HBy A 36 VAL HGy% 1.0 . 3.91 98 72 A 36 VAL HGx% A 23 HIS HBy 1.0 . 3.91 99 72 A 23 HIS HBx A 36 VAL HGx% 1.0 . 3.91 100 73 A 23 HIS HD2 A 36 VAL HGy% 1.0 . 4.15 101 73 A 23 HIS HD2 A 36 VAL HGx% 1.0 . 4.15 102 74 A 28 LEU HDy% A 36 VAL HGy% 1.0 . 3.25 103 74 A 28 LEU HDx% A 36 VAL HGy% 1.0 . 3.25 104 74 A 36 VAL HGx% A 28 LEU HDx% 1.0 . 3.25 105 74 A 28 LEU HDy% A 36 VAL HGx% 1.0 . 3.25 106 75 A 36 VAL HA A 35 PRO HBx 1.0 . 3.91 107 76 A 35 PRO HA A 36 VAL H 1.0 . 3.15 108 77 A 36 VAL H A 36 VAL HB 1.0 . 3.68 109 78 A 36 VAL H A 36 VAL HGy% 1.0 . 3.48 110 79 A 36 VAL HGx% A 36 VAL H 1.0 . 3.48 111 80 A 36 VAL HA A 37 SER H 1.0 . 3.14 112 81 A 36 VAL HB A 37 SER H 1.0 . 4.13 113 82 A 36 VAL HGx% A 37 SER H 1.0 . 4.41 114 83 A 37 SER H A 36 VAL HGy% 1.0 . 4.41 115 84 A 37 SER H A 36 VAL HGy% 1.0 . 3.67 116 84 A 36 VAL HGx% A 37 SER H 1.0 . 3.67 117 85 A 37 SER HA A 36 VAL HGy% 1.0 . 4.25 118 85 A 36 VAL HGx% A 37 SER HA 1.0 . 4.25 119 86 A 37 SER H A 37 SER HBx 1.0 . 4.05 120 87 A 38 ASP H A 37 SER HBx 1.0 . 4.37 121 88 A 37 SER HA A 38 ASP H 1.0 . 3.45 122 89 A 38 ASP H A 37 SER HBx 1.0 . 3.71 123 89 A 38 ASP H A 37 SER HBy 1.0 . 3.71 124 90 A 39 ILE H A 36 VAL HGy% 1.0 . 5.02 125 91 A 36 VAL HGx% A 39 ILE H 1.0 . 5.02 126 92 A 39 ILE H A 36 VAL HGy% 1.0 . 4.03 127 92 A 36 VAL HGx% A 39 ILE H 1.0 . 4.03 128 93 A 39 ILE H A 38 ASP HA 1.0 . 3.56 129 94 A 38 ASP H A 39 ILE H 1.0 . 4.03 130 95 A 39 ILE HB A 40 ASP H 1.0 . 3.81 131 96 A 40 ASP H A 39 ILE HA 1.0 . 3.48 132 97 A 40 ASP H A 40 ASP HBx 1.0 . 4.15 133 98 A 40 ASP H A 40 ASP HBx 1.0 . 3.55 134 98 A 40 ASP H A 40 ASP HBy 1.0 . 3.55 135 99 A 40 ASP H A 40 ASP HBx 1.0 . 3.55 136 99 A 40 ASP H A 40 ASP HBy 1.0 . 3.55 137 100 A 40 ASP HA A 41 VAL HB 1.0 . 4.60 138 101 A 40 ASP HA A 41 VAL HGy% 1.0 . 4.09 139 101 A 40 ASP HA A 41 VAL HGx% 1.0 . 4.09 140 102 A 41 VAL HA A 41 VAL HGy% 1.0 . 3.79 141 103 A 41 VAL H A 41 VAL HGy% 1.0 . 3.43 142 104 A 41 VAL HGx% A 41 VAL HA 1.0 . 3.79 143 105 A 41 VAL HGx% A 41 VAL H 1.0 . 3.43 144 106 A 41 VAL H A 41 VAL HGy% 1.0 . 2.80 145 106 A 41 VAL HGx% A 41 VAL H 1.0 . 2.80 146 107 A 41 VAL HA A 41 VAL HGy% 1.0 . 2.94 147 107 A 41 VAL HGx% A 41 VAL HA 1.0 . 2.94 148 108 A 40 ASP HA A 42 THR H 1.0 . 4.22 149 109 A 41 VAL H A 42 THR H 1.0 . 3.77 150 110 A 42 THR H A 41 VAL HGy% 1.0 . 3.94 151 110 A 41 VAL HGx% A 42 THR H 1.0 . 3.94 152 111 A 42 THR HA A 42 THR HG2% 1.0 . 3.65 153 112 A 42 THR H A 42 THR HG2% 1.0 . 3.47 154 113 A 40 ASP HA A 43 ARG H 1.0 . 3.72 155 114 A 43 ARG H A 40 ASP HBx 1.0 . 3.40 156 114 A 40 ASP HBy A 43 ARG H 1.0 . 3.40 157 115 A 42 THR H A 43 ARG H 1.0 . 3.19 158 116 A 43 ARG H A 43 ARG HBx 1.0 . 3.44 159 117 A 44 ARG HA A 28 LEU HDx% 1.0 . 4.15 160 117 A 28 LEU HDy% A 44 ARG HA 1.0 . 4.15 161 118 A 41 VAL HA A 44 ARG HBy 1.0 . 3.55 162 118 A 41 VAL HA A 44 ARG HBx 1.0 . 3.55 163 119 A 41 VAL HA A 44 ARG HDx 1.0 . 3.72 164 119 A 41 VAL HA A 44 ARG HDy 1.0 . 3.72 165 120 A 43 ARG H A 44 ARG H 1.0 . 4.16 166 121 A 43 ARG HA A 44 ARG HBy 1.0 . 4.44 167 121 A 44 ARG HBx A 43 ARG HA 1.0 . 4.44 168 122 A 44 ARG H A 44 ARG HBy 1.0 . 3.32 169 122 A 44 ARG HBx A 44 ARG H 1.0 . 3.32 170 123 A 44 ARG H A 44 ARG HDx 1.0 . 4.18 171 123 A 44 ARG HDy A 44 ARG H 1.0 . 4.18 172 124 A 44 ARG HA A 44 ARG HDx 1.0 . 4.48 173 124 A 44 ARG HA A 44 ARG HDy 1.0 . 4.48 174 125 A 43 ARG HA A 45 GLU H 1.0 . 5.50 175 126 A 44 ARG H A 45 GLU H 1.0 . 4.49 176 127 A 45 GLU H A 45 GLU HBx 1.0 . 3.16 177 127 A 45 GLU H A 45 GLU HBy 1.0 . 3.16 178 128 A 43 ARG HBx A 46 ALA HB% 1.0 . 4.06 179 129 A 43 ARG HA A 46 ALA HB% 1.0 . 4.16 180 130 A 45 GLU H A 46 ALA H 1.0 . 3.47 181 131 A 46 ALA H A 46 ALA HB% 1.0 . 3.03 182 132 A 23 HIS HD2 A 47 TYR HBx 1.0 . 4.18 183 133 A 23 HIS HD2 A 47 TYR HA 1.0 . 4.54 184 134 A 23 HIS HD2 A 47 TYR HDx 1.0 . 3.63 185 135 A 23 HIS HD2 A 47 TYR HEx 1.0 . 4.66 186 136 A 23 HIS H A 47 TYR HBy 1.0 . 4.30 187 136 A 23 HIS H A 47 TYR HBx 1.0 . 4.30 188 137 A 23 HIS HBx A 47 TYR HBy 1.0 . 3.76 189 137 A 23 HIS HBy A 47 TYR HBy 1.0 . 3.76 190 137 A 47 TYR HBx A 23 HIS HBy 1.0 . 3.76 191 137 A 23 HIS HBx A 47 TYR HBx 1.0 . 3.76 192 138 A 23 HIS HD2 A 47 TYR HBy 1.0 . 3.47 193 138 A 23 HIS HD2 A 47 TYR HBx 1.0 . 3.47 194 139 A 47 TYR HBx A 28 LEU HDx% 1.0 . 3.86 195 140 A 47 TYR HDx A 28 LEU HDx% 1.0 . 3.86 196 141 A 28 LEU HDy% A 47 TYR HDx 1.0 . 3.86 197 142 A 28 LEU HDy% A 47 TYR HBx 1.0 . 3.86 198 143 A 47 TYR H A 28 LEU HDx% 1.0 . 3.66 199 143 A 28 LEU HDy% A 47 TYR H 1.0 . 3.66 200 144 A 28 LEU HDx% A 47 TYR HBy 1.0 . 2.97 201 144 A 28 LEU HDy% A 47 TYR HBy 1.0 . 2.97 202 144 A 47 TYR HBx A 28 LEU HDx% 1.0 . 2.97 203 144 A 28 LEU HDy% A 47 TYR HBx 1.0 . 2.97 204 145 A 47 TYR HDx A 28 LEU HDx% 1.0 . 3.36 205 145 A 28 LEU HDy% A 47 TYR HDx 1.0 . 3.36 206 146 A 47 TYR HEx A 28 LEU HDx% 1.0 . 4.64 207 146 A 28 LEU HDy% A 47 TYR HEx 1.0 . 4.64 208 147 A 39 ILE HB A 47 TYR HEy 1.0 . 3.66 209 148 A 39 ILE HA A 47 TYR HEy 1.0 . 4.09 210 149 A 39 ILE HB A 47 TYR HDy 1.0 . 4.92 211 150 A 40 ASP HA A 47 TYR HEy 1.0 . 4.44 212 151 A 47 TYR HEy A 40 ASP HBx 1.0 . 3.67 213 151 A 40 ASP HBy A 47 TYR HEy 1.0 . 3.67 214 152 A 40 ASP H A 47 TYR HEy 1.0 . 3.78 215 153 A 43 ARG H A 47 TYR HEy 1.0 . 4.17 216 154 A 44 ARG HA A 47 TYR HDx 1.0 . 3.62 217 155 A 44 ARG HA A 47 TYR HDy 1.0 . 3.88 218 156 A 44 ARG HA A 47 TYR H 1.0 . 4.24 219 157 A 44 ARG HA A 47 TYR HEx 1.0 . 4.24 220 158 A 44 ARG HA A 47 TYR HEy 1.0 . 4.53 221 159 A 47 TYR HDx A 44 ARG HBy 1.0 . 3.99 222 159 A 44 ARG HBx A 47 TYR HDx 1.0 . 3.99 223 160 A 47 TYR HEx A 44 ARG HBy 1.0 . 4.06 224 160 A 44 ARG HBx A 47 TYR HEx 1.0 . 4.06 225 161 A 47 TYR H A 45 GLU HBx 1.0 . 5.34 226 161 A 45 GLU HBy A 47 TYR H 1.0 . 5.34 227 162 A 46 ALA HB% A 47 TYR HA 1.0 . 4.80 228 163 A 46 ALA HB% A 47 TYR H 1.0 . 4.04 229 164 A 46 ALA H A 47 TYR H 1.0 . 3.32 230 165 A 46 ALA HB% A 47 TYR HDy 1.0 . 3.67 231 166 A 46 ALA HB% A 47 TYR HEy 1.0 . 3.84 232 167 A 46 ALA H A 47 TYR HDy 1.0 . 4.24 233 168 A 47 TYR HBx A 47 TYR H 1.0 . 4.13 234 169 A 47 TYR H A 47 TYR HDy 1.0 . 3.40 235 170 A 47 TYR HDx A 47 TYR HBx 1.0 . 3.51 236 171 A 47 TYR HA A 47 TYR HDy 1.0 . 3.48 237 172 A 47 TYR H A 47 TYR HBy 1.0 . 3.45 238 172 A 47 TYR HBx A 47 TYR H 1.0 . 3.45 239 173 A 47 TYR HDx A 47 TYR HBy 1.0 . 3.02 240 173 A 47 TYR HDx A 47 TYR HBx 1.0 . 3.02 241 174 A 25 TYR HBx A 48 LEU HDx% 1.0 . 4.05 242 175 A 25 TYR HA A 48 LEU HDx% 1.0 . 3.67 243 176 A 25 TYR HA A 48 LEU HDy% 1.0 . 3.67 244 177 A 25 TYR HBx A 48 LEU HDy% 1.0 . 4.05 245 178 A 25 TYR H A 48 LEU HDx% 1.0 . 3.60 246 178 A 25 TYR H A 48 LEU HDy% 1.0 . 3.60 247 179 A 25 TYR HA A 48 LEU HDx% 1.0 . 3.13 248 179 A 25 TYR HA A 48 LEU HDy% 1.0 . 3.13 249 180 A 25 TYR HBx A 48 LEU HDx% 1.0 . 3.29 250 180 A 25 TYR HBx A 48 LEU HDy% 1.0 . 3.29 251 181 A 25 TYR HEy A 48 LEU HDx% 1.0 . 4.37 252 181 A 25 TYR HEy A 48 LEU HDy% 1.0 . 4.37 253 182 A 25 TYR HDy A 48 LEU HDx% 1.0 . 3.25 254 182 A 25 TYR HDy A 48 LEU HDy% 1.0 . 3.25 255 183 A 48 LEU H A 28 LEU HDx% 1.0 . 4.64 256 183 A 28 LEU HDy% A 48 LEU H 1.0 . 4.64 257 184 A 28 LEU HDx% A 48 LEU HDx% 1.0 . 3.27 258 184 A 28 LEU HDy% A 48 LEU HDx% 1.0 . 3.27 259 184 A 48 LEU HDy% A 28 LEU HDx% 1.0 . 3.27 260 184 A 28 LEU HDy% A 48 LEU HDy% 1.0 . 3.27 261 185 A 48 LEU H A 46 ALA HA 1.0 . 3.78 262 186 A 47 TYR H A 48 LEU HG 1.0 . 5.50 263 187 A 47 TYR H A 48 LEU H 1.0 . 3.82 264 188 A 47 TYR HDy A 48 LEU H 1.0 . 4.86 265 189 A 47 TYR HA A 48 LEU H 1.0 . 3.26 266 190 A 48 LEU H A 47 TYR HBy 1.0 . 4.47 267 190 A 47 TYR HBx A 48 LEU H 1.0 . 4.47 268 191 A 48 LEU H A 48 LEU HBx 1.0 . 3.37 269 192 A 48 LEU H A 48 LEU HG 1.0 . 3.61 270 193 A 48 LEU H A 48 LEU HBy 1.0 . 2.75 271 193 A 48 LEU H A 48 LEU HBx 1.0 . 2.75 272 194 A 48 LEU H A 48 LEU HDx% 1.0 . 3.73 273 194 A 48 LEU HDy% A 48 LEU H 1.0 . 3.73 274 195 A 48 LEU HA A 48 LEU HDx% 1.0 . 3.58 275 195 A 48 LEU HDy% A 48 LEU HA 1.0 . 3.58 276 196 A 22 ALA HB% A 49 SER H 1.0 . 4.09 277 197 A 22 ALA HB% A 49 SER HA 1.0 . 4.81 278 198 A 22 ALA HB% A 49 SER HBy 1.0 . 5.21 279 198 A 22 ALA HB% A 49 SER HBx 1.0 . 5.21 280 199 A 48 LEU HA A 49 SER H 1.0 . 3.48 281 200 A 49 SER H A 48 LEU HBy 1.0 . 4.29 282 200 A 48 LEU HBx A 49 SER H 1.0 . 4.29 283 201 A 49 SER H A 48 LEU HDx% 1.0 . 3.98 284 201 A 48 LEU HDy% A 49 SER H 1.0 . 3.98 285 202 A 49 SER HA A 48 LEU HDx% 1.0 . 4.13 286 202 A 48 LEU HDy% A 49 SER HA 1.0 . 4.13 287 203 A 48 LEU HDy% A 49 SER HBy 1.0 . 4.39 288 203 A 48 LEU HDx% A 49 SER HBy 1.0 . 4.39 289 203 A 49 SER HBx A 48 LEU HDx% 1.0 . 4.39 290 203 A 48 LEU HDy% A 49 SER HBx 1.0 . 4.39 291 204 A 49 SER H A 49 SER HBy 1.0 . 3.55 292 204 A 49 SER H A 49 SER HBx 1.0 . 3.55 293 205 A 49 SER HA A 50 SER HA 1.0 . 4.37 294 206 A 50 SER H A 49 SER HBy 1.0 . 4.03 295 206 A 49 SER HBx A 50 SER H 1.0 . 4.03 296 207 A 49 SER HA A 51 GLU H 1.0 . 4.82 297 208 A 51 GLU H A 49 SER HBy 1.0 . 3.67 298 208 A 49 SER HBx A 51 GLU H 1.0 . 3.67 299 209 A 49 SER HBx A 51 GLU HGx 1.0 . 3.59 300 209 A 49 SER HBy A 51 GLU HGx 1.0 . 3.59 301 209 A 51 GLU HGy A 49 SER HBy 1.0 . 3.59 302 209 A 49 SER HBx A 51 GLU HGy 1.0 . 3.59 303 210 A 50 SER H A 51 GLU H 1.0 . 4.24 304 211 A 50 SER HA A 51 GLU HGx 1.0 . 4.94 305 211 A 50 SER HA A 51 GLU HGy 1.0 . 4.94 306 212 A 51 GLU H A 51 GLU HBx 1.0 . 3.56 307 213 A 51 GLU HA A 51 GLU HGx 1.0 . 3.94 308 214 A 51 GLU H A 51 GLU HGx 1.0 . 4.30 309 215 A 51 GLU HA A 51 GLU HGx 1.0 . 3.24 310 215 A 51 GLU HGy A 51 GLU HA 1.0 . 3.24 311 216 A 48 LEU HBx A 52 GLU HBy 1.0 . 4.36 312 216 A 48 LEU HBy A 52 GLU HBy 1.0 . 4.36 313 216 A 52 GLU HBx A 48 LEU HBy 1.0 . 4.36 314 216 A 48 LEU HBx A 52 GLU HBx 1.0 . 4.36 315 217 A 49 SER H A 52 GLU H 1.0 . 4.75 316 218 A 49 SER H A 52 GLU HBy 1.0 . 5.34 317 218 A 49 SER H A 52 GLU HBx 1.0 . 5.34 318 219 A 52 GLU H A 49 SER HBy 1.0 . 4.32 319 219 A 49 SER HBx A 52 GLU H 1.0 . 4.32 320 220 A 51 GLU HBx A 52 GLU H 1.0 . 3.23 321 221 A 51 GLU H A 52 GLU H 1.0 . 3.67 322 222 A 52 GLU H A 52 GLU HBy 1.0 . 3.21 323 222 A 52 GLU HBx A 52 GLU H 1.0 . 3.21 324 223 A 46 ALA HA A 53 PHE HBx 1.0 . 5.32 325 224 A 46 ALA HA A 53 PHE HDy 1.0 . 4.12 326 225 A 46 ALA HA A 53 PHE HBy 1.0 . 3.68 327 226 A 46 ALA HA A 53 PHE HEy 1.0 . 4.55 328 227 A 48 LEU HBx A 53 PHE HBx 1.0 . 4.60 329 228 A 48 LEU HBx A 53 PHE HDy 1.0 . 3.76 330 229 A 53 PHE H A 48 LEU HBy 1.0 . 4.10 331 229 A 48 LEU HBx A 53 PHE H 1.0 . 4.10 332 230 A 53 PHE HBx A 48 LEU HBy 1.0 . 3.99 333 230 A 48 LEU HBx A 53 PHE HBx 1.0 . 3.99 334 231 A 53 PHE HDy A 48 LEU HBy 1.0 . 3.16 335 231 A 48 LEU HBx A 53 PHE HDy 1.0 . 3.16 336 232 A 53 PHE HDy A 48 LEU HDx% 1.0 . 3.89 337 232 A 48 LEU HDy% A 53 PHE HDy 1.0 . 3.89 338 233 A 53 PHE H A 49 SER HBy 1.0 . 3.93 339 233 A 49 SER HBx A 53 PHE H 1.0 . 3.93 340 234 A 51 GLU HBx A 53 PHE H 1.0 . 4.93 341 235 A 52 GLU H A 53 PHE H 1.0 . 3.54 342 236 A 53 PHE H A 52 GLU HBy 1.0 . 3.81 343 236 A 52 GLU HBx A 53 PHE H 1.0 . 3.81 344 237 A 53 PHE HBy A 53 PHE H 1.0 . 3.64 345 238 A 53 PHE HBx A 53 PHE H 1.0 . 3.57 346 239 A 53 PHE HBx A 53 PHE HDx 1.0 . 3.41 347 240 A 53 PHE HDy A 53 PHE HBy 1.0 . 3.43 348 241 A 53 PHE HDy A 53 PHE HA 1.0 . 3.75 349 242 A 53 PHE H A 53 PHE HDx 1.0 . 4.18 350 243 A 53 PHE HDy A 53 PHE H 1.0 . 4.66 351 244 A 53 PHE H A 54 LYS H 1.0 . 3.97 352 245 A 53 PHE HBy A 54 LYS H 1.0 . 4.03 353 246 A 53 PHE HDx A 54 LYS H 1.0 . 4.69 354 247 A 53 PHE HDx A 54 LYS HA 1.0 . 3.86 355 248 A 53 PHE HBx A 54 LYS H 1.0 . 4.91 356 249 A 53 PHE HDx A 54 LYS HBy 1.0 . 3.94 357 250 A 54 LYS HA A 53 PHE HEx 1.0 . 4.46 358 251 A 54 LYS HBy A 53 PHE HEx 1.0 . 4.44 359 252 A 54 LYS H A 54 LYS HBy 1.0 . 3.29 360 253 A 52 GLU HA A 55 GLU H 1.0 . 3.64 361 254 A 53 PHE HDx A 55 GLU H 1.0 . 5.37 362 255 A 54 LYS H A 55 GLU H 1.0 . 3.56 363 256 A 55 GLU H A 55 GLU HBx 1.0 . 2.94 364 256 A 55 GLU H A 55 GLU HBy 1.0 . 2.94 365 257 A 55 GLU H A 55 GLU HGx 1.0 . 4.06 366 257 A 55 GLU H A 55 GLU HGy 1.0 . 4.06 367 258 A 55 GLU HA A 55 GLU HGx 1.0 . 3.50 368 258 A 55 GLU HGy A 55 GLU HA 1.0 . 3.50 369 259 A 25 TYR HEy A 56 LYS HBx 1.0 . 4.25 370 260 A 52 GLU HA A 56 LYS H 1.0 . 4.07 371 261 A 53 PHE HA A 56 LYS H 1.0 . 5.50 372 262 A 55 GLU H A 56 LYS HBx 1.0 . 3.95 373 263 A 55 GLU H A 56 LYS H 1.0 . 3.77 374 264 A 56 LYS H A 55 GLU HBx 1.0 . 3.40 375 264 A 55 GLU HBy A 56 LYS H 1.0 . 3.40 376 265 A 56 LYS H A 55 GLU HGx 1.0 . 4.98 377 265 A 55 GLU HGy A 56 LYS H 1.0 . 4.98 378 266 A 56 LYS HBx A 56 LYS H 1.0 . 3.22 379 267 A 57 PHE HEy A 45 GLU HBx 1.0 . 3.82 380 268 A 57 PHE HEy A 45 GLU HA 1.0 . 4.46 381 269 A 45 GLU HA A 57 PHE HZ 1.0 . 5.43 382 270 A 57 PHE HZ A 45 GLU HBx 1.0 . 3.70 383 270 A 45 GLU HBy A 57 PHE HZ 1.0 . 3.70 384 271 A 53 PHE HA A 57 PHE HDy 1.0 . 3.59 385 272 A 53 PHE HDy A 57 PHE HEy 1.0 . 4.52 386 273 A 53 PHE HEy A 57 PHE HEy 1.0 . 4.47 387 274 A 53 PHE HEx A 57 PHE HDy 1.0 . 4.91 388 275 A 53 PHE HEy A 57 PHE HDy 1.0 . 5.09 389 276 A 53 PHE HDx A 57 PHE HDy 1.0 . 4.77 390 277 A 53 PHE HDy A 57 PHE HDy 1.0 . 4.92 391 278 A 53 PHE HA A 57 PHE HEy 1.0 . 4.55 392 279 A 54 LYS HA A 57 PHE H 1.0 . 4.89 393 280 A 54 LYS HA A 57 PHE HDy 1.0 . 4.91 394 281 A 54 LYS HBy A 57 PHE H 1.0 . 5.14 395 282 A 57 PHE H A 55 GLU HBx 1.0 . 4.88 396 282 A 55 GLU HBy A 57 PHE H 1.0 . 4.88 397 283 A 56 LYS HBx A 57 PHE H 1.0 . 4.02 398 284 A 56 LYS H A 57 PHE H 1.0 . 3.61 399 285 A 56 LYS HBx A 57 PHE HDy 1.0 . 3.98 400 286 A 56 LYS H A 57 PHE HBy 1.0 . 5.50 401 287 A 56 LYS H A 57 PHE HDy 1.0 . 4.70 402 288 A 57 PHE H A 57 PHE HBy 1.0 . 3.70 403 289 A 57 PHE HDy A 57 PHE HBy 1.0 . 3.33 404 290 A 57 PHE HBx A 57 PHE HDx 1.0 . 3.48 405 291 A 57 PHE HDx A 57 PHE HA 1.0 . 3.58 406 292 A 57 PHE HDy A 57 PHE H 1.0 . 3.74 407 293 A 57 PHE H A 57 PHE HBx 1.0 . 3.64 408 294 A 54 LYS HA A 58 GLY H 1.0 . 4.08 409 295 A 54 LYS HBy A 58 GLY H 1.0 . 5.17 410 296 A 56 LYS HBx A 58 GLY H 1.0 . 4.85 411 297 A 57 PHE HBx A 58 GLY H 1.0 . 5.25 412 298 A 57 PHE HBy A 58 GLY H 1.0 . 4.48 413 299 A 57 PHE H A 58 GLY H 1.0 . 3.43 414 300 A 57 PHE HDy A 58 GLY H 1.0 . 4.81 415 301 A 53 PHE HEx A 59 MET HBx 1.0 . 3.85 416 302 A 54 LYS HA A 59 MET H 1.0 . 3.46 417 303 A 54 LYS HBy A 59 MET H 1.0 . 3.96 418 304 A 57 PHE HBx A 59 MET H 1.0 . 4.02 419 305 A 57 PHE HBy A 59 MET H 1.0 . 3.58 420 306 A 57 PHE H A 59 MET H 1.0 . 3.94 421 307 A 58 GLY H A 59 MET H 1.0 . 3.52 422 308 A 59 MET HBx A 59 MET H 1.0 . 3.97 423 309 A 54 LYS HBy A 60 THR H 1.0 . 4.55 424 310 A 60 THR H A 59 MET HA 1.0 . 3.15 425 311 A 59 MET HBx A 60 THR H 1.0 . 3.92 426 312 A 59 MET H A 60 THR H 1.0 . 5.35 427 313 A 53 PHE HEx A 61 LYS HA 1.0 . 4.24 428 314 A 53 PHE HDx A 61 LYS H 1.0 . 4.59 429 315 A 61 LYS HA A 53 PHE HZ 1.0 . 4.40 430 316 A 61 LYS H A 61 LYS HBx 1.0 . 3.33 431 317 A 62 GLU H A 61 LYS HBx 1.0 . 3.72 432 318 A 61 LYS H A 62 GLU H 1.0 . 3.99 433 319 A 59 MET HA A 63 ALA HB% 1.0 . 3.94 434 320 A 60 THR H A 63 ALA HB% 1.0 . 3.28 435 321 A 60 THR H A 63 ALA H 1.0 . 4.65 436 322 A 62 GLU H A 63 ALA H 1.0 . 3.39 437 323 A 63 ALA HB% A 63 ALA H 1.0 . 2.86 438 324 A 53 PHE HEx A 64 PHE HBx 1.0 . 3.71 439 325 A 53 PHE HZ A 64 PHE HBx 1.0 . 3.96 440 326 A 53 PHE HZ A 64 PHE H 1.0 . 4.54 441 327 A 53 PHE HEx A 64 PHE H 1.0 . 4.38 442 328 A 53 PHE HEx A 64 PHE HBy 1.0 . 3.68 443 329 A 53 PHE HZ A 64 PHE HBy 1.0 . 4.06 444 330 A 59 MET HBx A 64 PHE HBy 1.0 . 4.42 445 331 A 59 MET H A 64 PHE HBy 1.0 . 3.98 446 332 A 60 THR H A 64 PHE HBy 1.0 . 4.45 447 333 A 61 LYS HA A 64 PHE H 1.0 . 4.12 448 334 A 63 ALA H A 64 PHE H 1.0 . 3.53 449 335 A 63 ALA HB% A 64 PHE H 1.0 . 3.51 450 336 A 64 PHE H A 64 PHE HBy 1.0 . 3.10 451 337 A 64 PHE HBx A 64 PHE H 1.0 . 3.88 452 338 A 53 PHE HZ A 65 TYR H 1.0 . 5.50 453 339 A 61 LYS HA A 65 TYR H 1.0 . 4.69 454 340 A 65 TYR HEy A 61 LYS HBx 1.0 . 4.19 455 341 A 61 LYS HA A 65 TYR HEy 1.0 . 4.77 456 342 A 65 TYR HEy A 61 LYS HBy 1.0 . 3.51 457 342 A 65 TYR HEy A 61 LYS HBx 1.0 . 3.51 458 343 A 62 GLU HA A 65 TYR HDy 1.0 . 3.74 459 344 A 65 TYR H A 62 GLU HA 1.0 . 4.23 460 345 A 63 ALA HB% A 65 TYR H 1.0 . 4.61 461 346 A 63 ALA H A 65 TYR H 1.0 . 4.43 462 347 A 64 PHE HBy A 65 TYR H 1.0 . 3.71 463 348 A 64 PHE HBx A 65 TYR H 1.0 . 4.51 464 349 A 64 PHE H A 65 TYR H 1.0 . 3.95 465 350 A 65 TYR H A 65 TYR HEy 1.0 . 4.92 466 351 A 65 TYR H A 66 LYS H 1.0 . 3.42 467 352 A 68 PRO HBx A 70 TRP HD1 1.0 . 4.10 468 353 A 68 PRO HBx A 70 TRP HZ2 1.0 . 5.50 469 354 A 68 PRO HBx A 70 TRP H 1.0 . 4.26 470 355 A 68 PRO HGx A 70 TRP HE1 1.0 . 5.10 471 356 A 70 TRP HD1 A 68 PRO HGx 1.0 . 4.71 472 357 A 70 TRP HD1 A 68 PRO HA 1.0 . 4.35 473 358 A 70 TRP HZ2 A 68 PRO HGx 1.0 . 4.73 474 359 A 70 TRP H A 70 TRP HBx 1.0 . 3.77 475 360 A 70 TRP HD1 A 70 TRP HBx 1.0 . 3.77 476 361 A 70 TRP HD1 A 70 TRP HA 1.0 . 4.61 477 362 A 70 TRP HD1 A 70 TRP H 1.0 . 3.57 478 363 A 70 TRP H A 70 TRP HBy 1.0 . 3.26 479 363 A 70 TRP H A 70 TRP HBx 1.0 . 3.26 480 364 A 70 TRP HD1 A 70 TRP HBy 1.0 . 3.29 481 364 A 70 TRP HD1 A 70 TRP HBx 1.0 . 3.29 482 365 A 68 PRO HGx A 71 LYS H 1.0 . 4.00 483 366 A 68 PRO HBx A 71 LYS H 1.0 . 3.88 484 367 A 68 PRO HGx A 71 LYS HA 1.0 . 3.90 485 368 A 70 TRP H A 71 LYS H 1.0 . 3.80 486 369 A 70 TRP HD1 A 71 LYS H 1.0 . 4.86 487 370 A 71 LYS H A 71 LYS HBx 1.0 . 3.68 488 371 A 65 TYR HDx A 72 GLN HE2x 1.0 . 4.03 489 371 A 65 TYR HDx A 72 GLN HE2y 1.0 . 4.03 490 372 A 68 PRO HBx A 72 GLN H 1.0 . 4.32 491 373 A 68 PRO HGx A 72 GLN H 1.0 . 4.91 492 374 A 72 GLN H A 69 LYS HA 1.0 . 4.03 493 375 A 69 LYS HA A 72 GLN HBx 1.0 . 3.00 494 375 A 69 LYS HA A 72 GLN HBy 1.0 . 3.00 495 376 A 69 LYS HA A 72 GLN HE2x 1.0 . 4.65 496 376 A 72 GLN HE2y A 69 LYS HA 1.0 . 4.65 497 377 A 70 TRP H A 72 GLN HBx 1.0 . 4.48 498 377 A 70 TRP H A 72 GLN HBy 1.0 . 4.48 499 378 A 72 GLN H A 71 LYS HBx 1.0 . 4.10 500 379 A 71 LYS H A 72 GLN H 1.0 . 3.38 501 380 A 71 LYS H A 72 GLN HBx 1.0 . 4.21 502 380 A 71 LYS H A 72 GLN HBy 1.0 . 4.21 503 381 A 72 GLN H A 71 LYS HBy 1.0 . 3.59 504 381 A 72 GLN H A 71 LYS HBx 1.0 . 3.59 505 382 A 72 GLN H A 72 GLN HBx 1.0 . 3.19 506 382 A 72 GLN H A 72 GLN HBy 1.0 . 3.19 507 383 A 72 GLN HBx A 72 GLN HE2x 1.0 . 3.91 508 383 A 72 GLN HBy A 72 GLN HE2x 1.0 . 3.91 509 383 A 72 GLN HE2y A 72 GLN HBx 1.0 . 3.91 510 383 A 72 GLN HE2y A 72 GLN HBy 1.0 . 3.91 511 384 A 69 LYS HA A 73 ASN H 1.0 . 4.23 512 385 A 70 TRP HA A 73 ASN H 1.0 . 4.48 513 386 A 70 TRP HA A 73 ASN HBx 1.0 . 4.18 514 387 A 71 LYS H A 73 ASN H 1.0 . 4.84 515 388 A 72 GLN H A 73 ASN H 1.0 . 3.73 516 389 A 73 ASN H A 72 GLN HBx 1.0 . 3.36 517 389 A 72 GLN HBy A 73 ASN H 1.0 . 3.36 518 390 A 73 ASN H A 73 ASN HBx 1.0 . 3.61 519 391 A 73 ASN HBx A 73 ASN HD2x 1.0 . 3.82 520 392 A 73 ASN HBx A 73 ASN HD2y 1.0 . 3.82 521 393 A 73 ASN HBx A 73 ASN HD2y 1.0 . 3.35 522 393 A 73 ASN HBx A 73 ASN HD2x 1.0 . 3.35 523 394 A 70 TRP HA A 74 LYS H 1.0 . 4.83 524 395 A 71 LYS HA A 74 LYS H 1.0 . 3.80 525 396 A 71 LYS HA A 74 LYS HBx 1.0 . 3.96 526 397 A 71 LYS HA A 74 LYS HBy 1.0 . 3.41 527 397 A 71 LYS HA A 74 LYS HBx 1.0 . 3.41 528 398 A 74 LYS H A 72 GLN HA 1.0 . 4.80 529 399 A 73 ASN H A 74 LYS HGx 1.0 . 4.32 530 400 A 73 ASN HBx A 74 LYS H 1.0 . 3.90 531 401 A 73 ASN H A 74 LYS H 1.0 . 3.67 532 402 A 74 LYS H A 74 LYS HGx 1.0 . 3.92 533 403 A 74 LYS H A 74 LYS HBx 1.0 . 3.28 534 404 A 57 PHE HDx A 75 PHE HBy 1.0 . 3.42 535 405 A 57 PHE HDx A 75 PHE HDx 1.0 . 4.26 536 406 A 75 PHE HDx A 57 PHE HEx 1.0 . 5.28 537 407 A 57 PHE HBx A 75 PHE HBy 1.0 . 3.72 538 408 A 75 PHE HBy A 57 PHE HEx 1.0 . 3.32 539 409 A 71 LYS HA A 75 PHE H 1.0 . 4.39 540 410 A 74 LYS HBx A 75 PHE H 1.0 . 4.00 541 411 A 74 LYS HGx A 75 PHE H 1.0 . 4.41 542 412 A 74 LYS H A 75 PHE H 1.0 . 3.87 543 413 A 74 LYS H A 75 PHE HBx 1.0 . 5.05 544 414 A 75 PHE H A 74 LYS HBy 1.0 . 3.30 545 414 A 74 LYS HBx A 75 PHE H 1.0 . 3.30 546 415 A 75 PHE HDx A 75 PHE HA 1.0 . 4.07 547 416 A 75 PHE H A 75 PHE HBx 1.0 . 3.27 548 417 A 75 PHE HDx A 75 PHE H 1.0 . 5.34 549 418 A 75 PHE HBx A 75 PHE HDy 1.0 . 3.69 550 419 A 75 PHE H A 75 PHE HDy 1.0 . 4.20 551 420 A 57 PHE HZ A 76 LYS HA 1.0 . 4.22 552 421 A 57 PHE HEx A 76 LYS HA 1.0 . 3.85 553 422 A 57 PHE HDx A 76 LYS HA 1.0 . 4.83 554 423 A 57 PHE HEx A 76 LYS H 1.0 . 5.47 555 424 A 57 PHE HZ A 76 LYS HBy 1.0 . 4.37 556 424 A 57 PHE HZ A 76 LYS HBx 1.0 . 4.37 557 425 A 76 LYS H A 73 ASN HA 1.0 . 4.36 558 426 A 75 PHE HBx A 76 LYS H 1.0 . 4.30 559 427 A 75 PHE HBy A 76 LYS H 1.0 . 4.54 560 428 A 75 PHE H A 76 LYS H 1.0 . 3.65 561 429 A 76 LYS H A 76 LYS HBx 1.0 . 4.05 562 430 A 76 LYS H A 76 LYS HBy 1.0 . 3.45 563 430 A 76 LYS H A 76 LYS HBx 1.0 . 3.45 564 431 A 73 ASN HA A 77 MET H 1.0 . 5.01 565 432 A 74 LYS HA A 77 MET H 1.0 . 4.62 566 433 A 76 LYS H A 77 MET H 1.0 . 4.66 567 434 A 77 MET H A 76 LYS HBy 1.0 . 3.92 568 434 A 76 LYS HBx A 77 MET H 1.0 . 3.92 569 435 A 77 MET HA A 77 MET HGy 1.0 . 3.37 570 436 A 77 MET H A 77 MET HGy 1.0 . 3.36 571 437 A 75 PHE HA A 78 ALA H 1.0 . 4.41 572 438 A 75 PHE HA A 78 ALA HB% 1.0 . 3.56 573 439 A 75 PHE HDx A 78 ALA HB% 1.0 . 3.90 574 440 A 75 PHE HDx A 78 ALA HA 1.0 . 5.19 575 441 A 77 MET H A 78 ALA H 1.0 . 3.62 576 442 A 77 MET H A 78 ALA HB% 1.0 . 5.45 577 443 A 78 ALA H A 78 ALA HB% 1.0 . 3.12 578 444 A 25 TYR HEy A 79 VAL HGy% 1.0 . 3.74 579 445 A 25 TYR HEy A 79 VAL HB 1.0 . 3.90 580 446 A 25 TYR HEy A 79 VAL HGx% 1.0 . 4.38 581 447 A 79 VAL HGy% A 45 GLU HBx 1.0 . 3.67 582 447 A 45 GLU HBy A 79 VAL HGy% 1.0 . 3.67 583 448 A 56 LYS HBx A 79 VAL HGx% 1.0 . 3.89 584 449 A 79 VAL HGx% A 56 LYS HA 1.0 . 4.43 585 450 A 57 PHE HEx A 79 VAL HGy% 1.0 . 3.79 586 451 A 57 PHE HDx A 79 VAL HGy% 1.0 . 4.34 587 452 A 57 PHE HDy A 79 VAL HGy% 1.0 . 4.91 588 453 A 57 PHE HZ A 79 VAL H 1.0 . 4.49 589 454 A 57 PHE HDx A 79 VAL HGx% 1.0 . 4.45 590 455 A 57 PHE HEx A 79 VAL H 1.0 . 3.67 591 456 A 57 PHE HDx A 79 VAL H 1.0 . 3.88 592 457 A 57 PHE HZ A 79 VAL HGy% 1.0 . 3.96 593 458 A 75 PHE HDx A 79 VAL HGx% 1.0 . 3.36 594 459 A 75 PHE HDx A 79 VAL H 1.0 . 3.99 595 460 A 76 LYS HA A 79 VAL H 1.0 . 3.85 596 461 A 76 LYS HA A 79 VAL HGy% 1.0 . 3.30 597 462 A 76 LYS H A 79 VAL H 1.0 . 4.73 598 463 A 76 LYS HA A 79 VAL HGx% 1.0 . 3.60 599 464 A 77 MET HA A 79 VAL H 1.0 . 5.11 600 465 A 78 ALA H A 79 VAL H 1.0 . 3.61 601 466 A 78 ALA HB% A 79 VAL H 1.0 . 3.46 602 467 A 78 ALA HB% A 79 VAL HGy% 1.0 . 4.06 603 468 A 79 VAL HGx% A 79 VAL HA 1.0 . 3.52 604 469 A 79 VAL HGy% A 79 VAL H 1.0 . 3.26 605 470 A 79 VAL HGx% A 79 VAL H 1.0 . 3.49 606 471 A 30 THR H A 80 GLN HBx 1.0 . 4.67 607 472 A 77 MET HA A 80 GLN H 1.0 . 4.22 608 473 A 78 ALA HB% A 80 GLN H 1.0 . 4.52 609 474 A 78 ALA HA A 80 GLN H 1.0 . 4.81 610 475 A 79 VAL H A 80 GLN H 1.0 . 3.45 611 476 A 79 VAL HGy% A 80 GLN H 1.0 . 4.05 612 477 A 79 VAL HGx% A 80 GLN H 1.0 . 4.73 613 478 A 80 GLN H A 80 GLN HE2x 1.0 . 4.72 614 478 A 80 GLN H A 80 GLN HE2y 1.0 . 4.72 615 479 A 25 TYR HEy A 81 LEU HA 1.0 . 4.33 616 480 A 25 TYR HEy A 81 LEU HDx% 1.0 . 3.47 617 481 A 25 TYR HEy A 81 LEU HDy% 1.0 . 3.47 618 482 A 25 TYR HDy A 81 LEU HDy% 1.0 . 3.54 619 483 A 25 TYR HDy A 81 LEU HDx% 1.0 . 3.54 620 484 A 25 TYR HEy A 81 LEU HG 1.0 . 4.62 621 485 A 25 TYR HDy A 81 LEU HG 1.0 . 3.72 622 486 A 25 TYR HEy A 81 LEU HDx% 1.0 . 2.97 623 486 A 25 TYR HEy A 81 LEU HDy% 1.0 . 2.97 624 487 A 25 TYR HDy A 81 LEU HDx% 1.0 . 2.97 625 487 A 25 TYR HDy A 81 LEU HDy% 1.0 . 2.97 626 488 A 29 LYS H A 81 LEU HDx% 1.0 . 3.75 627 488 A 29 LYS H A 81 LEU HDy% 1.0 . 3.75 628 489 A 30 THR HG2% A 81 LEU HA 1.0 . 3.87 629 490 A 30 THR H A 81 LEU HA 1.0 . 5.50 630 491 A 30 THR H A 81 LEU HDx% 1.0 . 4.04 631 491 A 30 THR H A 81 LEU HDy% 1.0 . 4.04 632 492 A 45 GLU HA A 81 LEU HDx% 1.0 . 3.38 633 492 A 45 GLU HA A 81 LEU HDy% 1.0 . 3.38 634 493 A 81 LEU HA A 45 GLU HBx 1.0 . 4.02 635 493 A 45 GLU HBy A 81 LEU HA 1.0 . 4.02 636 494 A 45 GLU HBy A 81 LEU HDx% 1.0 . 2.74 637 494 A 45 GLU HBx A 81 LEU HDx% 1.0 . 2.74 638 494 A 81 LEU HDy% A 45 GLU HBx 1.0 . 2.74 639 494 A 45 GLU HBy A 81 LEU HDy% 1.0 . 2.74 640 495 A 45 GLU HBx A 81 LEU HDx% 1.0 . 4.90 641 496 A 81 LEU HDy% A 45 GLU HBx 1.0 . 4.90 642 497 A 48 LEU H A 81 LEU HDx% 1.0 . 4.12 643 497 A 48 LEU H A 81 LEU HDy% 1.0 . 4.12 644 498 A 48 LEU HG A 81 LEU HDx% 1.0 . 3.19 645 498 A 48 LEU HG A 81 LEU HDy% 1.0 . 3.19 646 499 A 53 PHE H A 81 LEU HDx% 1.0 . 4.76 647 499 A 53 PHE H A 81 LEU HDy% 1.0 . 4.76 648 500 A 53 PHE HA A 81 LEU HDx% 1.0 . 3.04 649 500 A 53 PHE HA A 81 LEU HDy% 1.0 . 3.04 650 501 A 53 PHE HBx A 81 LEU HDx% 1.0 . 5.31 651 501 A 53 PHE HBx A 81 LEU HDy% 1.0 . 5.31 652 502 A 53 PHE HEy A 81 LEU HDx% 1.0 . 4.41 653 502 A 53 PHE HEy A 81 LEU HDy% 1.0 . 4.41 654 503 A 53 PHE HDy A 81 LEU HDx% 1.0 . 3.39 655 503 A 53 PHE HDy A 81 LEU HDy% 1.0 . 3.39 656 504 A 57 PHE HZ A 81 LEU HBx 1.0 . 4.89 657 505 A 57 PHE HEx A 81 LEU HBx 1.0 . 5.37 658 506 A 57 PHE HEy A 81 LEU HBx 1.0 . 5.50 659 507 A 57 PHE HZ A 81 LEU HDx% 1.0 . 3.31 660 507 A 57 PHE HZ A 81 LEU HDy% 1.0 . 3.31 661 508 A 57 PHE HEy A 81 LEU HDx% 1.0 . 3.10 662 508 A 57 PHE HEy A 81 LEU HDy% 1.0 . 3.10 663 509 A 57 PHE HDy A 81 LEU HDx% 1.0 . 3.65 664 509 A 57 PHE HDy A 81 LEU HDy% 1.0 . 3.65 665 510 A 77 MET HA A 81 LEU H 1.0 . 4.59 666 511 A 79 VAL H A 81 LEU H 1.0 . 5.14 667 512 A 79 VAL HGy% A 81 LEU H 1.0 . 4.19 668 513 A 79 VAL H A 81 LEU HBx 1.0 . 3.90 669 514 A 79 VAL HGy% A 81 LEU HG 1.0 . 4.18 670 515 A 79 VAL HGy% A 81 LEU HBx 1.0 . 4.52 671 516 A 79 VAL HGx% A 81 LEU HDx% 1.0 . 4.26 672 516 A 79 VAL HGx% A 81 LEU HDy% 1.0 . 4.26 673 517 A 79 VAL HGy% A 81 LEU HDx% 1.0 . 3.24 674 517 A 79 VAL HGy% A 81 LEU HDy% 1.0 . 3.24 675 518 A 80 GLN H A 81 LEU H 1.0 . 3.72 676 519 A 81 LEU HG A 81 LEU H 1.0 . 4.53 677 520 A 81 LEU HDy% A 81 LEU H 1.0 . 5.32 678 521 A 81 LEU H A 81 LEU HDx% 1.0 . 5.32 679 522 A 81 LEU H A 81 LEU HDx% 1.0 . 3.97 680 522 A 81 LEU HDy% A 81 LEU H 1.0 . 3.97 681 523 A 81 LEU HA A 81 LEU HDx% 1.0 . 3.56 682 523 A 81 LEU HA A 81 LEU HDy% 1.0 . 3.56 683 524 A 30 THR HG2% A 82 PHE H 1.0 . 4.24 684 525 A 73 ASN HBx A 82 PHE HEy 1.0 . 4.57 685 526 A 73 ASN HD2y A 82 PHE HEy 1.0 . 4.00 686 527 A 73 ASN HD2x A 82 PHE HEy 1.0 . 4.00 687 528 A 73 ASN HA A 82 PHE HDy 1.0 . 4.81 688 529 A 73 ASN HD2y A 82 PHE HEy 1.0 . 3.20 689 529 A 73 ASN HD2x A 82 PHE HEy 1.0 . 3.20 690 530 A 73 ASN HD2y A 82 PHE HDy 1.0 . 5.34 691 530 A 73 ASN HD2x A 82 PHE HDy 1.0 . 5.34 692 531 A 76 LYS HBx A 82 PHE HDy 1.0 . 4.14 693 532 A 82 PHE HDy A 76 LYS HBy 1.0 . 3.47 694 532 A 76 LYS HBx A 82 PHE HDy 1.0 . 3.47 695 533 A 77 MET HA A 82 PHE HBx 1.0 . 3.81 696 534 A 77 MET H A 82 PHE HBx 1.0 . 5.03 697 535 A 77 MET H A 82 PHE HBy 1.0 . 4.57 698 536 A 77 MET HA A 82 PHE H 1.0 . 4.15 699 537 A 77 MET HA A 82 PHE HBy 1.0 . 3.72 700 538 A 77 MET HA A 82 PHE HDy 1.0 . 4.31 701 539 A 77 MET HGy A 82 PHE HDy 1.0 . 4.43 702 540 A 81 LEU H A 82 PHE H 1.0 . 3.69 703 541 A 82 PHE HBx A 82 PHE HEx 1.0 . 5.14 704 542 A 82 PHE H A 82 PHE HBx 1.0 . 3.64 705 543 A 82 PHE H A 82 PHE HBy 1.0 . 3.88 706 544 A 82 PHE HBx A 82 PHE HDx 1.0 . 3.60 707 545 A 82 PHE HDy A 82 PHE HBy 1.0 . 3.61 708 546 A 82 PHE HDy A 82 PHE HA 1.0 . 3.71 709 547 A 82 PHE H A 82 PHE HDx 1.0 . 5.50 710 548 A 82 PHE H A 82 PHE HDy 1.0 . 5.50 711 549 A 82 PHE HEy A 82 PHE HBy 1.0 . 4.62 712 550 A 82 PHE HEy A 82 PHE HA 1.0 . 4.70 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 20 LEU N A 20 LEU CA A 20 LEU C A 21 PRO N 1.0 107.40 171.40 PSI 2 2 A 20 LEU O A 20 LEU C A 21 PRO N A 21 PRO CD 1.0 170.00 190.00 OMEGA 3 3 A 21 PRO N A 21 PRO CA A 21 PRO C A 22 ALA N 1.0 116.89 180.89 PSI 4 4 A 21 PRO C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -128.27 -88.27 PHI 5 5 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 HIS N 1.0 133.11 177.11 PSI 6 6 A 22 ALA C A 23 HIS N A 23 HIS CA A 23 HIS C 1.0 -157.66 -117.66 PHI 7 7 A 23 HIS N A 23 HIS CA A 23 HIS C A 24 PRO N 1.0 102.05 146.05 PSI 8 8 A 23 HIS O A 23 HIS C A 24 PRO N A 24 PRO CD 1.0 170.00 190.00 OMEGA 9 9 A 24 PRO N A 24 PRO CA A 24 PRO C A 25 TYR N 1.0 119.26 163.26 PSI 10 10 A 24 PRO C A 25 TYR N A 25 TYR CA A 25 TYR C 1.0 -66.77 -46.77 PHI 11 11 A 25 TYR N A 25 TYR CA A 25 TYR C A 26 ASP N 1.0 -55.15 -33.15 PSI 12 12 A 25 TYR C A 26 ASP N A 26 ASP CA A 26 ASP C 1.0 -72.05 -52.05 PHI 13 13 A 26 ASP N A 26 ASP CA A 26 ASP C A 27 ARG N 1.0 -49.22 -27.22 PSI 14 14 A 26 ASP C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -111.08 -51.08 PHI 15 15 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 LEU N 1.0 -42.62 21.38 PSI 16 16 A 27 ARG C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -116.43 -56.43 PHI 17 17 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 LYS N 1.0 138.65 202.65 PSI 18 18 A 28 LEU C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -121.93 -51.93 PHI 19 19 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 THR N 1.0 137.44 201.44 PSI 20 20 A 29 LYS C A 30 THR N A 30 THR CA A 30 THR C 1.0 -69.62 -49.62 PHI 21 21 A 30 THR N A 30 THR CA A 30 THR C A 31 THR N 1.0 -41.03 -19.03 PSI 22 22 A 30 THR C A 31 THR N A 31 THR CA A 31 THR C 1.0 -128.16 -68.16 PHI 23 23 A 31 THR N A 31 THR CA A 31 THR C A 32 SER N 1.0 -20.73 43.27 PSI 24 24 A 31 THR C A 32 SER N A 32 SER CA A 32 SER C 1.0 -105.14 -25.14 PHI 25 25 A 32 SER N A 32 SER CA A 32 SER C A 33 THR N 1.0 100.81 184.81 PSI 26 26 A 32 SER O A 32 SER C A 33 THR N A 33 THR H 1.0 170.00 190.00 OMEGA 27 27 A 32 SER C A 33 THR N A 33 THR CA A 33 THR C 1.0 -131.54 -51.54 PHI 28 28 A 33 THR N A 33 THR CA A 33 THR C A 34 ASP N 1.0 -46.38 37.62 PSI 29 29 A 33 THR C A 34 ASP N A 34 ASP CA A 34 ASP C 1.0 -107.46 -27.46 PHI 30 30 A 34 ASP N A 34 ASP CA A 34 ASP C A 35 PRO N 1.0 93.44 177.44 PSI 31 31 A 34 ASP O A 34 ASP C A 35 PRO N A 35 PRO CD 1.0 170.00 190.00 OMEGA 32 32 A 35 PRO N A 35 PRO CA A 35 PRO C A 36 VAL N 1.0 108.06 192.06 PSI 33 33 A 35 PRO C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -136.31 -56.31 PHI 34 34 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 SER N 1.0 87.01 171.01 PSI 35 35 A 36 VAL C A 37 SER N A 37 SER CA A 37 SER C 1.0 -117.32 -37.32 PHI 36 36 A 37 SER N A 37 SER CA A 37 SER C A 38 ASP N 1.0 -72.81 11.19 PSI 37 37 A 37 SER C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 16.02 96.02 PHI 38 38 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 ILE N 1.0 4.34 88.34 PSI 39 39 A 38 ASP C A 39 ILE N A 39 ILE CA A 39 ILE C 1.0 -167.88 -107.88 PHI 40 40 A 39 ILE N A 39 ILE CA A 39 ILE C A 40 ASP N 1.0 127.89 191.89 PSI 41 41 A 39 ILE C A 40 ASP N A 40 ASP CA A 40 ASP C 1.0 -123.67 -43.67 PHI 42 42 A 40 ASP N A 40 ASP CA A 40 ASP C A 41 VAL N 1.0 63.32 147.32 PSI 43 43 A 40 ASP C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -109.09 -29.09 PHI 44 44 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 THR N 1.0 -61.19 22.81 PSI 45 45 A 41 VAL C A 42 THR N A 42 THR CA A 42 THR C 1.0 -93.74 -33.74 PHI 46 46 A 42 THR N A 42 THR CA A 42 THR C A 43 ARG N 1.0 -62.57 1.43 PSI 47 47 A 42 THR C A 43 ARG N A 43 ARG CA A 43 ARG C 1.0 -139.47 -99.47 PHI 48 48 A 43 ARG N A 43 ARG CA A 43 ARG C A 44 ARG N 1.0 24.91 68.91 PSI 49 49 A 43 ARG C A 44 ARG N A 44 ARG CA A 44 ARG C 1.0 -63.37 -43.37 PHI 50 50 A 44 ARG N A 44 ARG CA A 44 ARG C A 45 GLU N 1.0 -53.37 -31.37 PSI 51 51 A 44 ARG C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -71.97 -51.97 PHI 52 52 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 ALA N 1.0 -52.89 -30.89 PSI 53 53 A 45 GLU C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -93.02 -33.02 PHI 54 54 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 TYR N 1.0 -59.14 4.86 PSI 55 55 A 46 ALA C A 47 TYR N A 47 TYR CA A 47 TYR C 1.0 -116.52 -36.52 PHI 56 56 A 47 TYR N A 47 TYR CA A 47 TYR C A 48 LEU N 1.0 -57.64 26.36 PSI 57 57 A 47 TYR C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -146.70 -86.70 PHI 58 58 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 SER N 1.0 121.52 185.52 PSI 59 59 A 48 LEU C A 49 SER N A 49 SER CA A 49 SER C 1.0 -97.89 -57.89 PHI 60 60 A 49 SER N A 49 SER CA A 49 SER C A 50 SER N 1.0 146.21 190.21 PSI 61 61 A 49 SER C A 50 SER N A 50 SER CA A 50 SER C 1.0 -71.78 -51.78 PHI 62 62 A 50 SER N A 50 SER CA A 50 SER C A 51 GLU N 1.0 -53.80 -31.80 PSI 63 63 A 50 SER C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -75.31 -55.31 PHI 64 64 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 GLU N 1.0 -56.13 -34.13 PSI 65 65 A 51 GLU C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -73.00 -53.00 PHI 66 66 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 PHE N 1.0 -51.39 -29.39 PSI 67 67 A 52 GLU C A 53 PHE N A 53 PHE CA A 53 PHE C 1.0 -73.29 -53.29 PHI 68 68 A 53 PHE N A 53 PHE CA A 53 PHE C A 54 LYS N 1.0 -54.90 -32.90 PSI 69 69 A 53 PHE C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -72.47 -52.47 PHI 70 70 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 GLU N 1.0 -53.23 -31.23 PSI 71 71 A 54 LYS C A 55 GLU N A 55 GLU CA A 55 GLU C 1.0 -68.49 -48.49 PHI 72 72 A 55 GLU N A 55 GLU CA A 55 GLU C A 56 LYS N 1.0 -52.70 -30.70 PSI 73 73 A 55 GLU C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -101.76 -41.76 PHI 74 74 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 PHE N 1.0 -26.46 37.54 PSI 75 75 A 56 LYS C A 57 PHE N A 57 PHE CA A 57 PHE C 1.0 -129.13 -69.13 PHI 76 76 A 57 PHE N A 57 PHE CA A 57 PHE C A 58 GLY N 1.0 -31.94 32.06 PSI 77 77 A 57 PHE C A 58 GLY N A 58 GLY CA A 58 GLY C 1.0 43.00 103.00 PHI 78 78 A 58 GLY N A 58 GLY CA A 58 GLY C A 59 MET N 1.0 -8.25 55.75 PSI 79 79 A 58 GLY C A 59 MET N A 59 MET CA A 59 MET C 1.0 -148.50 -108.50 PHI 80 80 A 59 MET N A 59 MET CA A 59 MET C A 60 THR N 1.0 142.72 186.72 PSI 81 81 A 59 MET C A 60 THR N A 60 THR CA A 60 THR C 1.0 -101.10 -61.10 PHI 82 82 A 60 THR N A 60 THR CA A 60 THR C A 61 LYS N 1.0 143.20 187.20 PSI 83 83 A 60 THR C A 61 LYS N A 61 LYS CA A 61 LYS C 1.0 -71.69 -51.69 PHI 84 84 A 61 LYS N A 61 LYS CA A 61 LYS C A 62 GLU N 1.0 -49.53 -27.53 PSI 85 85 A 61 LYS C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -71.93 -51.93 PHI 86 86 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 ALA N 1.0 -53.33 -31.33 PSI 87 87 A 62 GLU C A 63 ALA N A 63 ALA CA A 63 ALA C 1.0 -74.59 -54.59 PHI 88 88 A 63 ALA N A 63 ALA CA A 63 ALA C A 64 PHE N 1.0 -53.49 -31.49 PSI 89 89 A 63 ALA C A 64 PHE N A 64 PHE CA A 64 PHE C 1.0 -72.42 -52.42 PHI 90 90 A 64 PHE N A 64 PHE CA A 64 PHE C A 65 TYR N 1.0 -55.24 -33.24 PSI 91 91 A 64 PHE C A 65 TYR N A 65 TYR CA A 65 TYR C 1.0 -88.61 -48.61 PHI 92 92 A 65 TYR N A 65 TYR CA A 65 TYR C A 66 LYS N 1.0 -37.40 4.60 PSI 93 93 A 65 TYR C A 66 LYS N A 66 LYS CA A 66 LYS C 1.0 -118.50 -58.50 PHI 94 94 A 66 LYS N A 66 LYS CA A 66 LYS C A 67 LEU N 1.0 -67.09 -3.09 PSI 95 95 A 66 LYS O A 66 LYS C A 67 LEU N A 67 LEU H 1.0 170.00 190.00 OMEGA 96 96 A 66 LYS C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -126.76 -46.76 PHI 97 97 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 PRO N 1.0 108.62 192.62 PSI 98 98 A 67 LEU O A 67 LEU C A 68 PRO N A 68 PRO CD 1.0 170.00 190.00 OMEGA 99 99 A 68 PRO N A 68 PRO CA A 68 PRO C A 69 LYS N 1.0 113.40 177.40 PSI 100 100 A 68 PRO O A 68 PRO C A 69 LYS N A 69 LYS H 1.0 170.00 190.00 OMEGA 101 101 A 68 PRO C A 69 LYS N A 69 LYS CA A 69 LYS C 1.0 -65.34 -45.34 PHI 102 102 A 69 LYS N A 69 LYS CA A 69 LYS C A 70 TRP N 1.0 -48.57 -26.57 PSI 103 103 A 69 LYS C A 70 TRP N A 70 TRP CA A 70 TRP C 1.0 -73.76 -53.76 PHI 104 104 A 70 TRP N A 70 TRP CA A 70 TRP C A 71 LYS N 1.0 -44.22 -22.22 PSI 105 105 A 70 TRP C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -74.27 -54.27 PHI 106 106 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 GLN N 1.0 -53.63 -31.63 PSI 107 107 A 71 LYS C A 72 GLN N A 72 GLN CA A 72 GLN C 1.0 -75.12 -55.12 PHI 108 108 A 72 GLN N A 72 GLN CA A 72 GLN C A 73 ASN N 1.0 -52.81 -30.81 PSI 109 109 A 72 GLN C A 73 ASN N A 73 ASN CA A 73 ASN C 1.0 -75.19 -55.19 PHI 110 110 A 73 ASN N A 73 ASN CA A 73 ASN C A 74 LYS N 1.0 -50.46 -28.46 PSI 111 111 A 73 ASN C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 -71.73 -51.73 PHI 112 112 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 PHE N 1.0 -52.98 -30.98 PSI 113 113 A 74 LYS C A 75 PHE N A 75 PHE CA A 75 PHE C 1.0 -74.33 -54.33 PHI 114 114 A 75 PHE N A 75 PHE CA A 75 PHE C A 76 LYS N 1.0 -52.71 -30.71 PSI 115 115 A 75 PHE C A 76 LYS N A 76 LYS CA A 76 LYS C 1.0 -71.78 -51.78 PHI 116 116 A 76 LYS N A 76 LYS CA A 76 LYS C A 77 MET N 1.0 -57.53 -35.53 PSI 117 117 A 76 LYS C A 77 MET N A 77 MET CA A 77 MET C 1.0 -71.69 -51.69 PHI 118 118 A 77 MET N A 77 MET CA A 77 MET C A 78 ALA N 1.0 -55.56 -33.56 PSI 119 119 A 77 MET C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -75.05 -55.05 PHI 120 120 A 78 ALA N A 78 ALA CA A 78 ALA C A 79 VAL N 1.0 -34.70 -12.70 PSI 121 121 A 78 ALA C A 79 VAL N A 79 VAL CA A 79 VAL C 1.0 -112.77 -92.77 PHI 122 122 A 79 VAL N A 79 VAL CA A 79 VAL C A 80 GLN N 1.0 7.13 29.13 PSI 123 123 A 79 VAL C A 80 GLN N A 80 GLN CA A 80 GLN C 1.0 42.70 82.70 PHI 124 124 A 80 GLN N A 80 GLN CA A 80 GLN C A 81 LEU N 1.0 24.23 68.23 PSI 125 125 A 80 GLN C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -132.04 -92.04 PHI 126 126 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 PHE N 1.0 102.43 186.43 PSI 127 127 A 21 PRO O A 21 PRO C A 22 ALA N A 22 ALA H 1.0 170.00 190.00 OMEGA 128 128 A 22 ALA O A 22 ALA C A 23 HIS N A 23 HIS H 1.0 170.00 190.00 OMEGA 129 129 A 24 PRO O A 24 PRO C A 25 TYR N A 25 TYR H 1.0 170.00 190.00 OMEGA 130 130 A 25 TYR O A 25 TYR C A 26 ASP N A 26 ASP H 1.0 170.00 190.00 OMEGA 131 131 A 26 ASP O A 26 ASP C A 27 ARG N A 27 ARG H 1.0 170.00 190.00 OMEGA 132 132 A 27 ARG O A 27 ARG C A 28 LEU N A 28 LEU H 1.0 170.00 190.00 OMEGA 133 133 A 28 LEU O A 28 LEU C A 29 LYS N A 29 LYS H 1.0 170.00 190.00 OMEGA 134 134 A 29 LYS O A 29 LYS C A 30 THR N A 30 THR H 1.0 170.00 190.00 OMEGA 135 135 A 30 THR O A 30 THR C A 31 THR N A 31 THR H 1.0 170.00 190.00 OMEGA 136 136 A 31 THR O A 31 THR C A 32 SER N A 32 SER H 1.0 170.00 190.00 OMEGA 137 137 A 33 THR O A 33 THR C A 34 ASP N A 34 ASP H 1.0 170.00 190.00 OMEGA 138 138 A 35 PRO O A 35 PRO C A 36 VAL N A 36 VAL H 1.0 170.00 190.00 OMEGA 139 139 A 36 VAL O A 36 VAL C A 37 SER N A 37 SER H 1.0 170.00 190.00 OMEGA 140 140 A 37 SER O A 37 SER C A 38 ASP N A 38 ASP H 1.0 170.00 190.00 OMEGA 141 141 A 38 ASP O A 38 ASP C A 39 ILE N A 39 ILE H 1.0 170.00 190.00 OMEGA 142 142 A 39 ILE O A 39 ILE C A 40 ASP N A 40 ASP H 1.0 170.00 190.00 OMEGA 143 143 A 40 ASP O A 40 ASP C A 41 VAL N A 41 VAL H 1.0 170.00 190.00 OMEGA 144 144 A 41 VAL O A 41 VAL C A 42 THR N A 42 THR H 1.0 170.00 190.00 OMEGA 145 145 A 42 THR O A 42 THR C A 43 ARG N A 43 ARG H 1.0 170.00 190.00 OMEGA 146 146 A 43 ARG O A 43 ARG C A 44 ARG N A 44 ARG H 1.0 170.00 190.00 OMEGA 147 147 A 44 ARG O A 44 ARG C A 45 GLU N A 45 GLU H 1.0 170.00 190.00 OMEGA 148 148 A 45 GLU O A 45 GLU C A 46 ALA N A 46 ALA H 1.0 170.00 190.00 OMEGA 149 149 A 46 ALA O A 46 ALA C A 47 TYR N A 47 TYR H 1.0 170.00 190.00 OMEGA 150 150 A 47 TYR O A 47 TYR C A 48 LEU N A 48 LEU H 1.0 170.00 190.00 OMEGA 151 151 A 48 LEU O A 48 LEU C A 49 SER N A 49 SER H 1.0 170.00 190.00 OMEGA 152 152 A 49 SER O A 49 SER C A 50 SER N A 50 SER H 1.0 170.00 190.00 OMEGA 153 153 A 50 SER O A 50 SER C A 51 GLU N A 51 GLU H 1.0 170.00 190.00 OMEGA 154 154 A 51 GLU O A 51 GLU C A 52 GLU N A 52 GLU H 1.0 170.00 190.00 OMEGA 155 155 A 52 GLU O A 52 GLU C A 53 PHE N A 53 PHE H 1.0 170.00 190.00 OMEGA 156 156 A 53 PHE O A 53 PHE C A 54 LYS N A 54 LYS H 1.0 170.00 190.00 OMEGA 157 157 A 54 LYS O A 54 LYS C A 55 GLU N A 55 GLU H 1.0 170.00 190.00 OMEGA 158 158 A 55 GLU O A 55 GLU C A 56 LYS N A 56 LYS H 1.0 170.00 190.00 OMEGA 159 159 A 56 LYS O A 56 LYS C A 57 PHE N A 57 PHE H 1.0 170.00 190.00 OMEGA 160 160 A 57 PHE O A 57 PHE C A 58 GLY N A 58 GLY H 1.0 170.00 190.00 OMEGA 161 161 A 58 GLY O A 58 GLY C A 59 MET N A 59 MET H 1.0 170.00 190.00 OMEGA 162 162 A 59 MET O A 59 MET C A 60 THR N A 60 THR H 1.0 170.00 190.00 OMEGA 163 163 A 60 THR O A 60 THR C A 61 LYS N A 61 LYS H 1.0 170.00 190.00 OMEGA 164 164 A 61 LYS O A 61 LYS C A 62 GLU N A 62 GLU H 1.0 170.00 190.00 OMEGA 165 165 A 62 GLU O A 62 GLU C A 63 ALA N A 63 ALA H 1.0 170.00 190.00 OMEGA 166 166 A 63 ALA O A 63 ALA C A 64 PHE N A 64 PHE H 1.0 170.00 190.00 OMEGA 167 167 A 64 PHE O A 64 PHE C A 65 TYR N A 65 TYR H 1.0 170.00 190.00 OMEGA 168 168 A 65 TYR O A 65 TYR C A 66 LYS N A 66 LYS H 1.0 170.00 190.00 OMEGA 169 169 A 69 LYS O A 69 LYS C A 70 TRP N A 70 TRP H 1.0 170.00 190.00 OMEGA 170 170 A 70 TRP O A 70 TRP C A 71 LYS N A 71 LYS H 1.0 170.00 190.00 OMEGA 171 171 A 71 LYS O A 71 LYS C A 72 GLN N A 72 GLN H 1.0 170.00 190.00 OMEGA 172 172 A 72 GLN O A 72 GLN C A 73 ASN N A 73 ASN H 1.0 170.00 190.00 OMEGA 173 173 A 73 ASN O A 73 ASN C A 74 LYS N A 74 LYS H 1.0 170.00 190.00 OMEGA 174 174 A 74 LYS O A 74 LYS C A 75 PHE N A 75 PHE H 1.0 170.00 190.00 OMEGA 175 175 A 75 PHE O A 75 PHE C A 76 LYS N A 76 LYS H 1.0 170.00 190.00 OMEGA 176 176 A 76 LYS O A 76 LYS C A 77 MET N A 77 MET H 1.0 170.00 190.00 OMEGA 177 177 A 77 MET O A 77 MET C A 78 ALA N A 78 ALA H 1.0 170.00 190.00 OMEGA 178 178 A 78 ALA O A 78 ALA C A 79 VAL N A 79 VAL H 1.0 170.00 190.00 OMEGA 179 179 A 79 VAL O A 79 VAL C A 80 GLN N A 80 GLN H 1.0 170.00 190.00 OMEGA 180 180 A 80 GLN O A 80 GLN C A 81 LEU N A 81 LEU H 1.0 170.00 190.00 OMEGA stop_ save_