data_nef_c17371_2l7r 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 -18 MET start . . 2 A -17 GLY middle . false 3 A -16 SER middle . . 4 A -15 SER middle . . 5 A -14 HIS middle . . 6 A -13 HIS middle . . 7 A -12 HIS middle . . 8 A -11 HIS middle . . 9 A -10 HIS middle . . 10 A -9 HIS middle . . 11 A -8 SER middle . . 12 A -7 SER middle . . 13 A -6 GLY middle . false 14 A -5 LEU middle . . 15 A -4 VAL middle . . 16 A -3 PRO middle . false 17 A -2 ARG middle . . 18 A -1 GLY middle . false 19 A 0 SER middle . . 20 A 1 MET middle . . 21 A 2 GLN middle . . 22 A 3 LEU middle . . 23 A 4 PHE middle . . 24 A 5 VAL middle . . 25 A 6 ARG middle . . 26 A 7 ALA middle . . 27 A 8 GLN middle . . 28 A 9 GLU middle . . 29 A 10 LEU middle . . 30 A 11 HIS middle . . 31 A 12 THR middle . . 32 A 13 PHE middle . . 33 A 14 GLU middle . . 34 A 15 VAL middle . . 35 A 16 THR middle . . 36 A 17 GLY middle . false 37 A 18 GLN middle . . 38 A 19 GLU middle . . 39 A 20 THR middle . . 40 A 21 VAL middle . . 41 A 22 ALA middle . . 42 A 23 GLN middle . . 43 A 24 ILE middle . . 44 A 25 LYS middle . . 45 A 26 ALA middle . . 46 A 27 HIS middle . . 47 A 28 VAL middle . . 48 A 29 ALA middle . . 49 A 30 SER middle . . 50 A 31 LEU middle . . 51 A 32 GLU middle . . 52 A 33 GLY middle . false 53 A 34 ILE middle . . 54 A 35 ALA middle . . 55 A 36 PRO middle . false 56 A 37 GLU middle . . 57 A 38 ASP middle . . 58 A 39 GLN middle . . 59 A 40 VAL middle . . 60 A 41 VAL middle . . 61 A 42 LEU middle . . 62 A 43 LEU middle . . 63 A 44 ALA middle . . 64 A 45 GLY middle . false 65 A 46 ALA middle . . 66 A 47 PRO middle . false 67 A 48 LEU middle . . 68 A 49 GLU middle . . 69 A 50 ASP middle . . 70 A 51 GLU middle . . 71 A 52 ALA middle . . 72 A 53 THR middle . . 73 A 54 LEU middle . . 74 A 55 GLY middle . false 75 A 56 GLN middle . . 76 A 57 CYS middle . . 77 A 58 GLY middle . false 78 A 59 VAL middle . . 79 A 60 GLU middle . . 80 A 61 ALA middle . . 81 A 62 LEU middle . . 82 A 63 THR middle . . 83 A 64 THR middle . . 84 A 65 LEU middle . . 85 A 66 GLU middle . . 86 A 67 VAL middle . . 87 A 68 ALA middle . . 88 A 69 GLY middle . false 89 A 70 ARG middle . . 90 A 71 MET middle . . 91 A 72 LEU middle . . 92 A 73 GLY middle . false 93 A 74 GLY end . false 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 H H 1 9.048 0.04 A 1 MET HA H 1 4.609 0.04 A 1 MET HBx H 1 1.792 0.04 A 1 MET HBy H 1 1.792 0.04 A 1 MET HE% H 1 1.693 0.04 A 1 MET HGy H 1 2.248 0.04 A 1 MET HGx H 1 2.079 0.04 A 1 MET C C 13 177.527 0.4 A 1 MET CA C 13 54.381 0.40 A 1 MET CB C 13 35.602 0.40 A 1 MET CE C 13 17.150 0.40 A 1 MET CG C 13 31.302 0.40 A 1 MET N N 15 119.795 0.40 A 2 GLN H H 1 8.299 0.04 A 2 GLN HA H 1 4.537 0.04 A 2 GLN HBy H 1 1.722 0.04 A 2 GLN HBx H 1 1.539 0.04 A 2 GLN HE2x H 1 6.683 0.04 A 2 GLN HE2y H 1 7.068 0.04 A 2 GLN HGy H 1 1.958 0.04 A 2 GLN HGx H 1 1.630 0.04 A 2 GLN C C 13 173.897 0.4 A 2 GLN CA C 13 55.746 0.40 A 2 GLN CB C 13 29.774 0.40 A 2 GLN CG C 13 34.338 0.40 A 2 GLN N N 15 122.076 0.40 A 2 GLN NE2 N 15 111.600 0.04 A 3 LEU H H 1 8.623 0.04 A 3 LEU HA H 1 4.319 0.04 A 3 LEU HBy H 1 1.386 0.04 A 3 LEU HBx H 1 1.097 0.04 A 3 LEU HDx% H 1 0.580 0.04 A 3 LEU HDy% H 1 0.690 0.04 A 3 LEU C C 13 176.831 0.4 A 3 LEU CA C 13 53.153 0.40 A 3 LEU CB C 13 46.847 0.40 A 3 LEU CDy C 13 27.134 0.40 A 3 LEU CDx C 13 24.410 0.40 A 3 LEU N N 15 126.077 0.40 A 4 PHE H H 1 8.272 0.04 A 4 PHE HA H 1 5.537 0.04 A 4 PHE HBy H 1 3.166 0.04 A 4 PHE HBx H 1 2.854 0.04 A 4 PHE HDx H 1 7.008 0.04 A 4 PHE HDy H 1 7.008 0.04 A 4 PHE HEx H 1 7.094 0.04 A 4 PHE HEy H 1 7.094 0.04 A 4 PHE HZ H 1 7.064 0.04 A 4 PHE C C 13 175.330 0.4 A 4 PHE CA C 13 55.500 0.40 A 4 PHE CB C 13 40.529 0.40 A 4 PHE CDx C 13 132.094 0.40 A 4 PHE CDy C 13 132.094 0.40 A 4 PHE CEx C 13 131.059 0.40 A 4 PHE CEy C 13 131.059 0.40 A 4 PHE CZ C 13 129.343 0.40 A 4 PHE N N 15 122.383 0.40 A 5 VAL H H 1 9.191 0.04 A 5 VAL HA H 1 4.797 0.04 A 5 VAL HB H 1 1.779 0.04 A 5 VAL HGx% H 1 0.653 0.04 A 5 VAL C C 13 174.197 0.4 A 5 VAL CA C 13 60.496 0.40 A 5 VAL CB C 13 35.056 0.40 A 5 VAL CGx C 13 21.740 0.40 A 5 VAL N N 15 121.004 0.40 A 6 ARG H H 1 9.254 0.04 A 6 ARG HA H 1 4.786 0.04 A 6 ARG HBy H 1 1.887 0.04 A 6 ARG HBx H 1 1.437 0.04 A 6 ARG HDx H 1 3.045 0.04 A 6 ARG HDy H 1 3.045 0.04 A 6 ARG HGx H 1 1.526 0.04 A 6 ARG HGy H 1 1.526 0.04 A 6 ARG C C 13 174.210 0.4 A 6 ARG CA C 13 54.982 0.40 A 6 ARG CB C 13 32.059 0.40 A 6 ARG CD C 13 43.178 0.40 A 6 ARG CG C 13 27.052 0.40 A 6 ARG N N 15 129.567 0.40 A 7 ALA H H 1 8.407 0.04 A 7 ALA HA H 1 4.873 0.04 A 7 ALA HB% H 1 1.453 0.04 A 7 ALA C C 13 176.926 0.4 A 7 ALA CA C 13 51.980 0.40 A 7 ALA CB C 13 17.968 0.40 A 7 ALA N N 15 134.692 0.40 A 8 GLN H H 1 10.266 0.04 A 8 GLN HA H 1 4.151 0.04 A 8 GLN HBx H 1 2.074 0.04 A 8 GLN HBy H 1 2.183 0.04 A 8 GLN HGy H 1 2.455 0.04 A 8 GLN HGx H 1 2.248 0.04 A 8 GLN C C 13 177.650 0.4 A 8 GLN CA C 13 59.295 0.40 A 8 GLN CB C 13 28.600 0.40 A 8 GLN CG C 13 34.979 0.40 A 8 GLN N N 15 127.746 0.40 A 9 GLU H H 1 8.627 0.04 A 9 GLU HA H 1 4.331 0.04 A 9 GLU HBy H 1 1.699 0.04 A 9 GLU HBx H 1 1.386 0.04 A 9 GLU HGx H 1 2.000 0.04 A 9 GLU HGy H 1 2.000 0.04 A 9 GLU C C 13 173.801 0.4 A 9 GLU CA C 13 53.371 0.40 A 9 GLU CB C 13 32.272 0.40 A 9 GLU CG C 13 35.932 0.40 A 9 GLU N N 15 117.769 0.40 A 10 LEU H H 1 8.162 0.04 A 10 LEU HA H 1 4.602 0.04 A 10 LEU HBy H 1 1.671 0.04 A 10 LEU HBx H 1 1.118 0.04 A 10 LEU HDx% H 1 0.629 0.04 A 10 LEU HDy% H 1 0.711 0.04 A 10 LEU HG H 1 1.309 0.04 A 10 LEU C C 13 175.739 0.4 A 10 LEU CA C 13 54.245 0.40 A 10 LEU CB C 13 42.856 0.40 A 10 LEU CDy C 13 25.227 0.40 A 10 LEU CDx C 13 23.402 0.40 A 10 LEU CG C 13 26.997 0.40 A 10 LEU N N 15 121.140 0.40 A 11 HIS H H 1 9.030 0.04 A 11 HIS HA H 1 4.646 0.04 A 11 HIS HBx H 1 2.691 0.04 A 11 HIS HBy H 1 2.691 0.04 A 11 HIS HD2 H 1 6.840 0.04 A 11 HIS C C 13 174.552 0.4 A 11 HIS CA C 13 55.255 0.40 A 11 HIS CB C 13 33.909 0.40 A 11 HIS CD2 C 13 119.709 0.40 A 11 HIS N N 15 128.018 0.40 A 12 THR H H 1 8.622 0.04 A 12 THR HA H 1 4.913 0.04 A 12 THR HB H 1 3.821 0.04 A 12 THR HG2% H 1 0.927 0.04 A 12 THR C C 13 173.091 0.4 A 12 THR CA C 13 61.123 0.40 A 12 THR CB C 13 70.186 0.40 A 12 THR CG2 C 13 20.541 0.40 A 12 THR N N 15 117.769 0.40 A 13 PHE H H 1 8.743 0.04 A 13 PHE HA H 1 4.919 0.04 A 13 PHE HBy H 1 3.091 0.04 A 13 PHE HBx H 1 2.562 0.04 A 13 PHE HDx H 1 6.919 0.04 A 13 PHE HDy H 1 6.919 0.04 A 13 PHE HEx H 1 6.826 0.04 A 13 PHE HEy H 1 6.826 0.04 A 13 PHE HZ H 1 6.657 0.04 A 13 PHE C C 13 173.678 0.4 A 13 PHE CA C 13 55.009 0.40 A 13 PHE CB C 13 42.125 0.40 A 13 PHE CDx C 13 131.522 0.40 A 13 PHE CDy C 13 131.522 0.40 A 13 PHE CEx C 13 130.296 0.40 A 13 PHE CEy C 13 130.296 0.40 A 13 PHE CZ C 13 128.362 0.40 A 13 PHE N N 15 124.477 0.40 A 14 GLU H H 1 8.431 0.04 A 14 GLU HA H 1 4.864 0.04 A 14 GLU HBx H 1 1.753 0.04 A 14 GLU HBy H 1 1.753 0.04 A 14 GLU HGy H 1 2.040 0.04 A 14 GLU HGx H 1 1.901 0.04 A 14 GLU C C 13 176.271 0.4 A 14 GLU CA C 13 55.337 0.40 A 14 GLU CB C 13 30.715 0.40 A 14 GLU CG C 13 36.423 0.40 A 14 GLU N N 15 121.327 0.40 A 15 VAL H H 1 8.885 0.04 A 15 VAL HA H 1 4.834 0.04 A 15 VAL HB H 1 2.562 0.04 A 15 VAL HGx% H 1 0.598 0.04 A 15 VAL HGy% H 1 0.519 0.04 A 15 VAL C C 13 175.452 0.4 A 15 VAL CA C 13 58.749 0.40 A 15 VAL CB C 13 34.216 0.40 A 15 VAL CGy C 13 22.121 0.40 A 15 VAL CGx C 13 18.825 0.40 A 15 VAL N N 15 116.849 0.40 A 16 THR H H 1 10.738 0.04 A 16 THR HA H 1 4.550 0.04 A 16 THR HB H 1 4.293 0.04 A 16 THR HG2% H 1 1.163 0.04 A 16 THR C C 13 177.663 0.4 A 16 THR CA C 13 62.405 0.40 A 16 THR CB C 13 71.468 0.40 A 16 THR CG2 C 13 21.413 0.40 A 16 THR N N 15 113.206 0.40 A 17 GLY H H 1 9.884 0.04 A 17 GLY HAy H 1 4.544 0.04 A 17 GLY HAx H 1 3.301 0.04 A 17 GLY C C 13 173.596 0.4 A 17 GLY CA C 13 45.129 0.40 A 17 GLY N N 15 112.253 0.40 A 18 GLN H H 1 7.872 0.04 A 18 GLN HA H 1 4.235 0.04 A 18 GLN HBy H 1 2.166 0.04 A 18 GLN HBx H 1 1.681 0.04 A 18 GLN HE2x H 1 6.790 0.04 A 18 GLN HE2y H 1 7.629 0.04 A 18 GLN HGx H 1 2.187 0.04 A 18 GLN HGy H 1 2.187 0.04 A 18 GLN C C 13 175.643 0.4 A 18 GLN CA C 13 55.418 0.40 A 18 GLN CB C 13 29.242 0.40 A 18 GLN CG C 13 33.998 0.40 A 18 GLN N N 15 118.126 0.40 A 18 GLN NE2 N 15 112.280 0.04 A 19 GLU H H 1 9.311 0.04 A 19 GLU HA H 1 4.083 0.04 A 19 GLU HBy H 1 1.893 0.04 A 19 GLU HBx H 1 1.667 0.04 A 19 GLU HGx H 1 2.191 0.04 A 19 GLU HGy H 1 2.191 0.04 A 19 GLU C C 13 176.353 0.4 A 19 GLU CA C 13 57.712 0.40 A 19 GLU CB C 13 28.655 0.40 A 19 GLU CG C 13 36.123 0.40 A 19 GLU N N 15 120.748 0.40 A 20 THR H H 1 8.105 0.04 A 20 THR HA H 1 4.868 0.04 A 20 THR HB H 1 4.432 0.04 A 20 THR HG2% H 1 1.063 0.04 A 20 THR C C 13 176.258 0.4 A 20 THR CA C 13 59.759 0.40 A 20 THR CB C 13 70.923 0.40 A 20 THR CG2 C 13 22.149 0.40 A 20 THR N N 15 109.971 0.40 A 21 VAL H H 1 8.471 0.04 A 21 VAL HA H 1 3.148 0.04 A 21 VAL HB H 1 2.470 0.04 A 21 VAL HGx% H 1 0.700 0.04 A 21 VAL HGy% H 1 0.766 0.04 A 21 VAL C C 13 178.851 0.4 A 21 VAL CA C 13 67.265 0.40 A 21 VAL CB C 13 31.288 0.40 A 21 VAL CGx C 13 22.012 0.40 A 21 VAL CGy C 13 24.791 0.40 A 21 VAL N N 15 123.813 0.40 A 22 ALA H H 1 9.045 0.04 A 22 ALA HA H 1 3.701 0.04 A 22 ALA HB% H 1 1.269 0.04 A 22 ALA C C 13 180.543 0.4 A 22 ALA CA C 13 55.391 0.40 A 22 ALA CB C 13 18.678 0.40 A 22 ALA N N 15 120.816 0.40 A 23 GLN H H 1 7.891 0.04 A 23 GLN HA H 1 3.885 0.04 A 23 GLN HBx H 1 1.891 0.04 A 23 GLN HBy H 1 2.330 0.04 A 23 GLN HE2x H 1 6.818 0.04 A 23 GLN HE2y H 1 7.436 0.04 A 23 GLN HGy H 1 2.331 0.04 A 23 GLN HGx H 1 2.248 0.04 A 23 GLN C C 13 179.328 0.4 A 23 GLN CA C 13 58.940 0.40 A 23 GLN CB C 13 28.200 0.40 A 23 GLN CG C 13 34.570 0.40 A 23 GLN N N 15 119.301 0.40 A 23 GLN NE2 N 15 111.280 0.04 A 24 ILE H H 1 7.653 0.04 A 24 ILE HA H 1 3.610 0.04 A 24 ILE HB H 1 2.114 0.04 A 24 ILE HD1% H 1 0.423 0.04 A 24 ILE HG1y H 1 1.580 0.04 A 24 ILE HG1x H 1 1.058 0.04 A 24 ILE HG2% H 1 0.614 0.04 A 24 ILE C C 13 177.677 0.4 A 24 ILE CA C 13 62.405 0.40 A 24 ILE CB C 13 35.742 0.40 A 24 ILE CD1 C 13 9.591 0.40 A 24 ILE CG1 C 13 27.801 0.40 A 24 ILE CG2 C 13 17.436 0.40 A 24 ILE N N 15 121.191 0.40 A 25 LYS H H 1 8.556 0.04 A 25 LYS HA H 1 3.589 0.04 A 25 LYS HBx H 1 1.644 0.04 A 25 LYS HBy H 1 1.644 0.04 A 25 LYS HDx H 1 1.537 0.04 A 25 LYS HDy H 1 1.537 0.04 A 25 LYS HEx H 1 2.694 0.04 A 25 LYS HEy H 1 2.694 0.04 A 25 LYS HGy H 1 1.171 0.04 A 25 LYS HGx H 1 1.119 0.04 A 25 LYS C C 13 177.568 0.4 A 25 LYS CA C 13 60.059 0.40 A 25 LYS CB C 13 32.627 0.40 A 25 LYS CD C 13 29.830 0.40 A 25 LYS CE C 13 41.816 0.40 A 25 LYS CG C 13 25.063 0.40 A 25 LYS N N 15 120.135 0.40 A 26 ALA H H 1 8.118 0.04 A 26 ALA HA H 1 3.844 0.04 A 26 ALA HB% H 1 1.378 0.04 A 26 ALA C C 13 180.175 0.4 A 26 ALA CA C 13 55.064 0.40 A 26 ALA CB C 13 17.696 0.40 A 26 ALA N N 15 119.795 0.40 A 27 HIS H H 1 7.817 0.04 A 27 HIS HA H 1 4.301 0.04 A 27 HIS HBx H 1 2.973 0.04 A 27 HIS HBy H 1 2.973 0.04 A 27 HIS HD2 H 1 6.734 0.04 A 27 HIS C C 13 178.387 0.4 A 27 HIS CA C 13 59.158 0.40 A 27 HIS CB C 13 31.016 0.40 A 27 HIS CD2 C 13 119.509 0.40 A 27 HIS N N 15 119.795 0.40 A 28 VAL H H 1 8.128 0.04 A 28 VAL HA H 1 3.096 0.04 A 28 VAL HB H 1 1.945 0.04 A 28 VAL HGx% H 1 0.850 0.04 A 28 VAL HGy% H 1 0.621 0.04 A 28 VAL C C 13 176.285 0.4 A 28 VAL CA C 13 66.719 0.40 A 28 VAL CB C 13 31.288 0.40 A 28 VAL CGy C 13 23.674 0.40 A 28 VAL CGx C 13 21.114 0.40 A 28 VAL N N 15 118.722 0.40 A 29 ALA H H 1 8.456 0.04 A 29 ALA HA H 1 3.844 0.04 A 29 ALA HB% H 1 1.288 0.04 A 29 ALA C C 13 179.915 0.4 A 29 ALA CA C 13 55.091 0.40 A 29 ALA CB C 13 17.887 0.40 A 29 ALA N N 15 121.685 0.40 A 30 SER H H 1 7.706 0.04 A 30 SER HA H 1 4.175 0.04 A 30 SER HBx H 1 3.912 0.04 A 30 SER HBy H 1 3.912 0.04 A 30 SER C C 13 176.913 0.4 A 30 SER CA C 13 61.014 0.40 A 30 SER CB C 13 62.707 0.40 A 30 SER N N 15 112.968 0.40 A 31 LEU H H 1 7.510 0.04 A 31 LEU HA H 1 4.044 0.04 A 31 LEU HBy H 1 1.623 0.04 A 31 LEU HBx H 1 1.287 0.04 A 31 LEU HDx% H 1 0.509 0.04 A 31 LEU HDy% H 1 0.717 0.04 A 31 LEU HG H 1 1.443 0.04 A 31 LEU C C 13 179.287 0.4 A 31 LEU CA C 13 57.302 0.40 A 31 LEU CB C 13 42.312 0.40 A 31 LEU CDy C 13 25.309 0.40 A 31 LEU CDx C 13 22.176 0.40 A 31 LEU CG C 13 26.207 0.40 A 31 LEU N N 15 121.685 0.40 A 32 GLU H H 1 7.906 0.04 A 32 GLU HA H 1 4.340 0.04 A 32 GLU HBy H 1 2.246 0.04 A 32 GLU HBx H 1 1.645 0.04 A 32 GLU HGy H 1 2.356 0.04 A 32 GLU HGx H 1 2.197 0.04 A 32 GLU C C 13 176.845 0.4 A 32 GLU CA C 13 56.947 0.40 A 32 GLU CB C 13 30.614 0.40 A 32 GLU CG C 13 37.049 0.40 A 32 GLU N N 15 115.351 0.40 A 33 GLY H H 1 7.887 0.04 A 33 GLY HAy H 1 3.916 0.04 A 33 GLY HAx H 1 3.820 0.04 A 33 GLY C C 13 174.429 0.4 A 33 GLY CA C 13 46.670 0.40 A 33 GLY N N 15 109.426 0.40 A 34 ILE H H 1 7.458 0.04 A 34 ILE HA H 1 4.432 0.04 A 34 ILE HB H 1 1.720 0.04 A 34 ILE HD1% H 1 0.615 0.04 A 34 ILE HG1y H 1 1.074 0.04 A 34 ILE HG1x H 1 0.958 0.04 A 34 ILE HG2% H 1 0.747 0.04 A 34 ILE C C 13 174.361 0.4 A 34 ILE CA C 13 59.213 0.40 A 34 ILE CB C 13 40.187 0.40 A 34 ILE CD1 C 13 12.587 0.40 A 34 ILE CG1 C 13 25.976 0.40 A 34 ILE CG2 C 13 17.300 0.40 A 34 ILE N N 15 115.045 0.40 A 35 ALA H H 1 8.545 0.04 A 35 ALA HA H 1 4.517 0.04 A 35 ALA HB% H 1 1.313 0.04 A 35 ALA CA C 13 50.070 0.40 A 35 ALA CB C 13 17.899 0.40 A 35 ALA N N 15 127.047 0.40 A 36 PRO HA H 1 3.875 0.04 A 36 PRO HBy H 1 1.926 0.04 A 36 PRO HBx H 1 1.876 0.04 A 36 PRO HDx H 1 3.740 0.04 A 36 PRO HDy H 1 3.872 0.04 A 36 PRO HGy H 1 2.026 0.04 A 36 PRO HGx H 1 1.887 0.04 A 36 PRO C C 13 178.168 0.4 A 36 PRO CA C 13 65.300 0.40 A 36 PRO CB C 13 31.465 0.40 A 36 PRO CD C 13 50.465 0.40 A 36 PRO CG C 13 27.161 0.40 A 37 GLU H H 1 9.153 0.04 A 37 GLU HA H 1 4.065 0.04 A 37 GLU HBx H 1 1.891 0.04 A 37 GLU HBy H 1 1.891 0.04 A 37 GLU HGx H 1 2.186 0.04 A 37 GLU HGy H 1 2.186 0.04 A 37 GLU C C 13 176.926 0.4 A 37 GLU CA C 13 58.830 0.40 A 37 GLU CB C 13 28.614 0.40 A 37 GLU CG C 13 36.150 0.40 A 37 GLU N N 15 116.577 0.40 A 38 ASP H H 1 7.496 0.04 A 38 ASP HA H 1 4.725 0.04 A 38 ASP HBy H 1 2.876 0.04 A 38 ASP HBx H 1 2.531 0.04 A 38 ASP C C 13 175.002 0.4 A 38 ASP CA C 13 54.245 0.40 A 38 ASP CB C 13 41.443 0.40 A 38 ASP N N 15 118.211 0.40 A 39 GLN H H 1 7.512 0.04 A 39 GLN HA H 1 4.971 0.04 A 39 GLN HBy H 1 2.001 0.04 A 39 GLN HBx H 1 1.529 0.04 A 39 GLN HE2x H 1 6.431 0.04 A 39 GLN HE2y H 1 6.875 0.04 A 39 GLN HGy H 1 2.243 0.04 A 39 GLN HGx H 1 1.762 0.04 A 39 GLN C C 13 175.234 0.4 A 39 GLN CA C 13 53.371 0.40 A 39 GLN CB C 13 31.358 0.40 A 39 GLN CG C 13 33.045 0.40 A 39 GLN N N 15 117.377 0.40 A 39 GLN NE2 N 15 109.801 0.04 A 40 VAL H H 1 9.187 0.04 A 40 VAL HA H 1 4.285 0.04 A 40 VAL HB H 1 1.793 0.04 A 40 VAL HGx% H 1 0.790 0.04 A 40 VAL HGy% H 1 0.754 0.04 A 40 VAL C C 13 173.091 0.4 A 40 VAL CA C 13 60.223 0.40 A 40 VAL CB C 13 35.847 0.40 A 40 VAL CGy C 13 20.705 0.40 A 40 VAL CGx C 13 20.487 0.40 A 40 VAL N N 15 121.004 0.40 A 41 VAL H H 1 8.674 0.04 A 41 VAL HA H 1 4.687 0.04 A 41 VAL HB H 1 1.781 0.04 A 41 VAL HGx% H 1 0.712 0.04 A 41 VAL HGy% H 1 0.758 0.04 A 41 VAL C C 13 173.992 0.4 A 41 VAL CA C 13 61.042 0.40 A 41 VAL CB C 13 32.080 0.40 A 41 VAL CGx C 13 22.557 0.40 A 41 VAL CGy C 13 23.402 0.40 A 41 VAL N N 15 124.902 0.40 A 42 LEU H H 1 9.458 0.04 A 42 LEU HA H 1 4.974 0.04 A 42 LEU HBy H 1 1.705 0.04 A 42 LEU HBx H 1 0.822 0.04 A 42 LEU HDx% H 1 0.603 0.04 A 42 LEU HDy% H 1 0.397 0.04 A 42 LEU HG H 1 1.295 0.04 A 42 LEU C C 13 176.121 0.4 A 42 LEU CA C 13 53.317 0.40 A 42 LEU CB C 13 45.865 0.40 A 42 LEU CDy C 13 26.071 0.40 A 42 LEU CDx C 13 23.701 0.40 A 42 LEU CG C 13 26.807 0.40 A 42 LEU N N 15 125.430 0.40 A 43 LEU H H 1 8.704 0.04 A 43 LEU HA H 1 4.650 0.04 A 43 LEU HBy H 1 1.835 0.04 A 43 LEU HBx H 1 1.126 0.04 A 43 LEU HDx% H 1 0.806 0.04 A 43 LEU HDy% H 1 0.890 0.04 A 43 LEU HG H 1 1.416 0.04 A 43 LEU C C 13 176.026 0.4 A 43 LEU CA C 13 53.726 0.40 A 43 LEU CB C 13 44.821 0.40 A 43 LEU CDy C 13 26.098 0.40 A 43 LEU CDx C 13 24.110 0.40 A 43 LEU CG C 13 27.651 0.40 A 43 LEU N N 15 122.349 0.40 A 44 ALA H H 1 9.581 0.04 A 44 ALA HA H 1 3.936 0.04 A 44 ALA HB% H 1 1.326 0.04 A 44 ALA C C 13 177.718 0.4 A 44 ALA CA C 13 52.825 0.40 A 44 ALA CB C 13 16.822 0.40 A 44 ALA N N 15 133.500 0.40 A 45 GLY H H 1 8.655 0.04 A 45 GLY HAy H 1 4.086 0.04 A 45 GLY HAx H 1 3.412 0.04 A 45 GLY C C 13 172.750 0.4 A 45 GLY CA C 13 45.415 0.40 A 45 GLY N N 15 103.110 0.40 A 46 ALA H H 1 7.894 0.04 A 46 ALA HA H 1 4.921 0.04 A 46 ALA HB% H 1 1.336 0.04 A 46 ALA CA C 13 48.599 0.40 A 46 ALA CB C 13 19.942 0.40 A 46 ALA N N 15 125.873 0.40 A 47 PRO HA H 1 4.698 0.04 A 47 PRO HBy H 1 1.896 0.04 A 47 PRO HBx H 1 1.777 0.04 A 47 PRO HDy H 1 3.717 0.04 A 47 PRO HDx H 1 3.651 0.04 A 47 PRO HGy H 1 2.049 0.04 A 47 PRO HGx H 1 1.802 0.04 A 47 PRO C C 13 177.281 0.4 A 47 PRO CA C 13 62.434 0.40 A 47 PRO CB C 13 32.073 0.40 A 47 PRO CD C 13 50.642 0.40 A 47 PRO CG C 13 27.392 0.40 A 48 LEU H H 1 8.745 0.04 A 48 LEU HA H 1 4.571 0.04 A 48 LEU HBy H 1 1.548 0.04 A 48 LEU HBx H 1 1.459 0.04 A 48 LEU HDx% H 1 0.726 0.04 A 48 LEU HDy% H 1 0.825 0.04 A 48 LEU HG H 1 1.656 0.04 A 48 LEU CA C 13 52.770 0.40 A 48 LEU CB C 13 43.968 0.40 A 48 LEU CDy C 13 25.254 0.40 A 48 LEU CDx C 13 21.876 0.40 A 48 LEU CG C 13 26.589 0.40 A 48 LEU N N 15 123.370 0.40 A 49 GLU H H 1 8.480 0.04 A 49 GLU HA H 1 4.080 0.04 A 49 GLU HBy H 1 1.998 0.04 A 49 GLU HBx H 1 1.835 0.04 A 49 GLU HGx H 1 2.280 0.04 A 49 GLU HGy H 1 2.280 0.04 A 49 GLU C C 13 176.763 0.4 A 49 GLU CA C 13 56.128 0.40 A 49 GLU CB C 13 29.857 0.40 A 49 GLU CG C 13 36.314 0.40 A 49 GLU N N 15 123.404 0.40 A 50 ASP H H 1 8.217 0.04 A 50 ASP HA H 1 4.139 0.04 A 50 ASP HBx H 1 2.469 0.04 A 50 ASP HBy H 1 2.469 0.04 A 50 ASP C C 13 177.240 0.4 A 50 ASP CA C 13 57.247 0.40 A 50 ASP CB C 13 41.143 0.40 A 50 ASP N N 15 123.115 0.40 A 51 GLU H H 1 8.287 0.04 A 51 GLU HA H 1 4.182 0.04 A 51 GLU HBy H 1 2.074 0.04 A 51 GLU HBx H 1 1.855 0.04 A 51 GLU HGx H 1 2.199 0.04 A 51 GLU HGy H 1 2.199 0.04 A 51 GLU C C 13 176.599 0.4 A 51 GLU CA C 13 56.674 0.40 A 51 GLU CB C 13 29.433 0.40 A 51 GLU CG C 13 36.586 0.40 A 51 GLU N N 15 112.372 0.40 A 52 ALA H H 1 7.393 0.04 A 52 ALA HA H 1 4.288 0.04 A 52 ALA HB% H 1 1.298 0.04 A 52 ALA C C 13 177.104 0.4 A 52 ALA CA C 13 51.652 0.40 A 52 ALA CB C 13 20.480 0.40 A 52 ALA N N 15 122.638 0.40 A 53 THR H H 1 8.035 0.04 A 53 THR HA H 1 4.865 0.04 A 53 THR HB H 1 4.428 0.04 A 53 THR HG2% H 1 1.063 0.04 A 53 THR C C 13 177.131 0.4 A 53 THR CA C 13 59.759 0.40 A 53 THR CB C 13 70.814 0.40 A 53 THR CG2 C 13 22.203 0.40 A 53 THR N N 15 108.388 0.40 A 54 LEU H H 1 8.570 0.04 A 54 LEU HA H 1 3.719 0.04 A 54 LEU HBy H 1 1.664 0.04 A 54 LEU HBx H 1 1.106 0.04 A 54 LEU HDx% H 1 0.768 0.04 A 54 LEU HDy% H 1 0.554 0.04 A 54 LEU C C 13 180.188 0.4 A 54 LEU CA C 13 58.202 0.40 A 54 LEU CB C 13 41.098 0.40 A 54 LEU CDy C 13 26.616 0.40 A 54 LEU CDx C 13 21.767 0.40 A 54 LEU N N 15 120.425 0.40 A 55 GLY H H 1 8.941 0.04 A 55 GLY HAx H 1 3.819 0.04 A 55 GLY HAy H 1 3.819 0.04 A 55 GLY C C 13 177.814 0.4 A 55 GLY CA C 13 46.957 0.40 A 55 GLY N N 15 105.987 0.40 A 56 GLN H H 1 7.904 0.04 A 56 GLN HA H 1 4.056 0.04 A 56 GLN HBx H 1 2.071 0.04 A 56 GLN HBy H 1 2.328 0.04 A 56 GLN HE2x H 1 6.831 0.04 A 56 GLN HE2y H 1 7.475 0.04 A 56 GLN HGx H 1 2.405 0.04 A 56 GLN HGy H 1 2.405 0.04 A 56 GLN C C 13 178.127 0.4 A 56 GLN CA C 13 58.148 0.40 A 56 GLN CB C 13 28.627 0.40 A 56 GLN CG C 13 34.325 0.40 A 56 GLN N N 15 122.842 0.40 A 56 GLN NE2 N 15 111.708 0.04 A 57 CYS H H 1 7.559 0.04 A 57 CYS HA H 1 4.282 0.04 A 57 CYS HBy H 1 2.971 0.04 A 57 CYS HBx H 1 2.791 0.04 A 57 CYS C C 13 174.265 0.4 A 57 CYS CA C 13 59.977 0.40 A 57 CYS CB C 13 28.082 0.40 A 57 CYS N N 15 114.960 0.40 A 58 GLY H H 1 7.673 0.04 A 58 GLY HAy H 1 3.882 0.04 A 58 GLY HAx H 1 3.701 0.04 A 58 GLY C C 13 174.593 0.4 A 58 GLY CA C 13 45.783 0.40 A 58 GLY N N 15 106.736 0.40 A 59 VAL H H 1 7.222 0.04 A 59 VAL HA H 1 3.564 0.04 A 59 VAL HB H 1 1.687 0.04 A 59 VAL HGx% H 1 0.813 0.04 A 59 VAL HGy% H 1 0.745 0.04 A 59 VAL C C 13 174.306 0.4 A 59 VAL CA C 13 63.716 0.40 A 59 VAL CB C 13 31.125 0.40 A 59 VAL CGy C 13 22.557 0.40 A 59 VAL CGx C 13 22.149 0.40 A 59 VAL N N 15 118.773 0.40 A 60 GLU H H 1 7.853 0.04 A 60 GLU HA H 1 4.490 0.04 A 60 GLU HBy H 1 2.008 0.04 A 60 GLU HBx H 1 1.753 0.04 A 60 GLU HGy H 1 2.187 0.04 A 60 GLU HGx H 1 2.077 0.04 A 60 GLU C C 13 175.835 0.4 A 60 GLU CA C 13 54.326 0.40 A 60 GLU CB C 13 32.654 0.40 A 60 GLU CG C 13 36.082 0.40 A 60 GLU N N 15 125.941 0.40 A 61 ALA H H 1 8.553 0.04 A 61 ALA HA H 1 3.945 0.04 A 61 ALA HB% H 1 1.384 0.04 A 61 ALA C C 13 178.332 0.4 A 61 ALA CA C 13 54.109 0.40 A 61 ALA CB C 13 18.815 0.40 A 61 ALA N N 15 123.234 0.40 A 62 LEU H H 1 9.020 0.04 A 62 LEU HA H 1 3.541 0.04 A 62 LEU HBy H 1 2.197 0.04 A 62 LEU HBx H 1 1.739 0.04 A 62 LEU HDx% H 1 0.871 0.04 A 62 LEU HDy% H 1 0.818 0.04 A 62 LEU HG H 1 1.416 0.04 A 62 LEU C C 13 176.067 0.4 A 62 LEU CA C 13 56.646 0.40 A 62 LEU CB C 13 38.249 0.40 A 62 LEU CDy C 13 25.472 0.40 A 62 LEU CDx C 13 23.020 0.40 A 62 LEU CG C 13 26.970 0.40 A 62 LEU N N 15 113.904 0.40 A 63 THR H H 1 7.723 0.04 A 63 THR HA H 1 4.130 0.04 A 63 THR HB H 1 3.999 0.04 A 63 THR HG2% H 1 1.171 0.04 A 63 THR C C 13 172.464 0.4 A 63 THR CA C 13 64.508 0.40 A 63 THR CB C 13 69.721 0.40 A 63 THR CG2 C 13 22.830 0.40 A 63 THR N N 15 117.496 0.40 A 64 THR H H 1 8.314 0.04 A 64 THR HA H 1 5.287 0.04 A 64 THR HB H 1 3.920 0.04 A 64 THR HG2% H 1 0.967 0.04 A 64 THR C C 13 174.688 0.4 A 64 THR CA C 13 61.778 0.40 A 64 THR CB C 13 69.721 0.40 A 64 THR CG2 C 13 20.896 0.40 A 64 THR N N 15 120.050 0.40 A 65 LEU H H 1 8.989 0.04 A 65 LEU HA H 1 4.857 0.04 A 65 LEU HBy H 1 1.648 0.04 A 65 LEU HBx H 1 1.339 0.04 A 65 LEU HDx% H 1 0.670 0.04 A 65 LEU HDy% H 1 0.772 0.04 A 65 LEU C C 13 175.152 0.4 A 65 LEU CA C 13 53.017 0.40 A 65 LEU CB C 13 43.722 0.40 A 65 LEU CDy C 13 25.554 0.40 A 65 LEU CDx C 13 24.301 0.40 A 65 LEU N N 15 126.928 0.40 A 66 GLU H H 1 8.596 0.04 A 66 GLU HA H 1 5.189 0.04 A 66 GLU HBy H 1 1.927 0.04 A 66 GLU HBx H 1 1.820 0.04 A 66 GLU HGy H 1 2.179 0.04 A 66 GLU HGx H 1 1.992 0.04 A 66 GLU C C 13 177.172 0.4 A 66 GLU CA C 13 54.573 0.40 A 66 GLU CB C 13 33.159 0.40 A 66 GLU CG C 13 36.627 0.40 A 66 GLU N N 15 120.697 0.40 A 67 VAL H H 1 8.471 0.04 A 67 VAL HA H 1 4.814 0.04 A 67 VAL HB H 1 1.796 0.04 A 67 VAL HGx% H 1 0.727 0.04 A 67 VAL HGy% H 1 0.687 0.04 A 67 VAL C C 13 174.743 0.4 A 67 VAL CA C 13 61.478 0.40 A 67 VAL CB C 13 32.926 0.40 A 67 VAL CGx C 13 21.304 0.40 A 67 VAL CGy C 13 22.203 0.40 A 67 VAL N N 15 123.047 0.40 A 68 ALA H H 1 8.971 0.04 A 68 ALA HA H 1 4.674 0.04 A 68 ALA HB% H 1 1.204 0.04 A 68 ALA C C 13 175.944 0.4 A 68 ALA CA C 13 50.178 0.40 A 68 ALA CB C 13 22.800 0.40 A 68 ALA N N 15 131.780 0.40 A 69 GLY H H 1 8.289 0.04 A 69 GLY HAy H 1 4.267 0.04 A 69 GLY HAx H 1 3.572 0.04 A 69 GLY C C 13 174.593 0.4 A 69 GLY CA C 13 45.264 0.40 A 69 GLY N N 15 106.541 0.40 A 70 ARG H H 1 8.199 0.04 A 70 ARG HA H 1 3.995 0.04 A 70 ARG HBy H 1 1.565 0.04 A 70 ARG HBx H 1 1.500 0.04 A 70 ARG HDx H 1 3.091 0.04 A 70 ARG HDy H 1 3.091 0.04 A 70 ARG HGx H 1 1.390 0.04 A 70 ARG HGy H 1 1.390 0.04 A 70 ARG C C 13 177.049 0.4 A 70 ARG CA C 13 56.782 0.40 A 70 ARG CB C 13 30.934 0.40 A 70 ARG CD C 13 43.342 0.40 A 70 ARG CG C 13 27.569 0.40 A 70 ARG N N 15 122.161 0.40 A 71 MET H H 1 8.479 0.04 A 71 MET HA H 1 4.377 0.04 A 71 MET HBy H 1 1.963 0.04 A 71 MET HBx H 1 1.911 0.04 A 71 MET HE% H 1 1.960 0.04 A 71 MET HGy H 1 2.492 0.04 A 71 MET HGx H 1 2.406 0.04 A 71 MET C C 13 176.053 0.4 A 71 MET CA C 13 55.118 0.40 A 71 MET CB C 13 32.528 0.40 A 71 MET CE C 13 17.104 0.40 A 71 MET CG C 13 31.982 0.40 A 71 MET N N 15 121.668 0.40 A 72 LEU H H 1 8.259 0.04 A 72 LEU HA H 1 4.239 0.04 A 72 LEU HBy H 1 1.576 0.04 A 72 LEU HBx H 1 1.497 0.04 A 72 LEU HDx% H 1 0.821 0.04 A 72 LEU HDy% H 1 0.760 0.04 A 72 LEU C C 13 177.602 0.4 A 72 LEU CA C 13 55.145 0.40 A 72 LEU CB C 13 42.098 0.40 A 72 LEU CDy C 13 24.845 0.40 A 72 LEU CDx C 13 23.429 0.40 A 72 LEU N N 15 124.272 0.40 A 73 GLY H H 1 8.318 0.04 A 73 GLY HAx H 1 3.858 0.04 A 73 GLY HAy H 1 3.858 0.04 A 73 GLY C C 13 173.678 0.4 A 73 GLY CA C 13 45.237 0.40 A 73 GLY N N 15 121.787 0.40 A 74 GLY H H 1 7.859 0.04 A 74 GLY HAy H 1 3.685 0.04 A 74 GLY HAx H 1 3.629 0.04 A 74 GLY CA C 13 45.930 0.40 A 74 GLY N N 15 115.147 0.40 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 MET HA A 2 GLN H 1.0 1.8 3.5 2 2 A 2 GLN H A 1 MET HBx 1.0 1.8 5.0 3 2 A 2 GLN H A 1 MET HBy 1.0 1.8 5.0 4 3 A 2 GLN H A 2 GLN HBx 1.0 1.8 5.0 5 4 A 2 GLN H A 2 GLN HBy 1.0 1.8 5.0 6 5 A 2 GLN H A 2 GLN HGx 1.0 1.8 5.0 7 6 A 2 GLN H A 2 GLN HGy 1.0 1.8 5.0 8 7 A 2 GLN H A 3 LEU H 1.0 1.8 5.0 9 8 A 3 LEU H A 4 PHE H 1.0 1.8 6.0 10 9 A 3 LEU H A 2 GLN HA 1.0 1.8 3.5 11 10 A 3 LEU H A 2 GLN HBx 1.0 1.8 5.0 12 11 A 3 LEU H A 2 GLN HBy 1.0 1.8 5.0 13 12 A 3 LEU H A 14 GLU HBx 1.0 1.8 6.0 14 12 A 3 LEU H A 14 GLU HBy 1.0 1.8 6.0 15 13 A 3 LEU H A 2 GLN HGx 1.0 1.8 5.0 16 14 A 3 LEU H A 2 GLN HGy 1.0 1.8 5.0 17 15 A 3 LEU H A 3 LEU HBy 1.0 1.8 5.0 18 16 A 3 LEU H A 3 LEU HBx 1.0 1.8 5.0 19 17 A 4 PHE H A 3 LEU HA 1.0 1.8 3.5 20 18 A 4 PHE H A 3 LEU HBy 1.0 1.8 5.0 21 19 A 4 PHE H A 4 PHE HBy 1.0 1.8 5.0 22 20 A 4 PHE H A 4 PHE HDy 1.0 1.8 5.0 23 21 A 4 PHE H A 4 PHE HEy 1.0 1.8 5.0 24 22 A 4 PHE HA A 5 VAL H 1.0 1.8 3.5 25 23 A 5 VAL H A 4 PHE HBx 1.0 1.8 5.0 26 24 A 4 PHE HBy A 5 VAL H 1.0 1.8 5.0 27 25 A 5 VAL HA A 6 ARG H 1.0 1.8 3.5 28 26 A 6 ARG H A 5 VAL HB 1.0 1.8 5.0 29 27 A 6 ARG H A 6 ARG HGx 1.0 1.8 5.0 30 27 A 6 ARG H A 6 ARG HGy 1.0 1.8 5.0 31 28 A 6 ARG H A 67 VAL H 1.0 1.8 5.0 32 29 A 6 ARG HA A 7 ALA H 1.0 1.8 3.5 33 30 A 7 ALA H A 7 ALA HB% 1.0 1.8 3.5 34 31 A 6 ARG H A 7 ALA H 1.0 1.8 5.0 35 32 A 7 ALA HB% A 8 GLN H 1.0 1.8 3.5 36 33 A 8 GLN H A 8 GLN HBy 1.0 1.8 5.0 37 34 A 8 GLN H A 8 GLN HBx 1.0 1.8 5.0 38 35 A 8 GLN H A 8 GLN HGx 1.0 1.8 5.0 39 36 A 8 GLN H A 8 GLN HGy 1.0 1.8 5.0 40 37 A 7 ALA H A 8 GLN H 1.0 1.8 5.0 41 38 A 9 GLU H A 8 GLN HBy 1.0 1.8 5.0 42 39 A 9 GLU H A 8 GLN HBx 1.0 1.8 5.0 43 40 A 9 GLU H A 8 GLN HGx 1.0 1.8 5.0 44 41 A 9 GLU H A 8 GLN HGy 1.0 1.8 5.0 45 42 A 9 GLU H A 9 GLU HBx 1.0 1.8 5.0 46 43 A 9 GLU H A 9 GLU HBy 1.0 1.8 5.0 47 44 A 9 GLU H A 9 GLU HGx 1.0 1.8 5.0 48 44 A 9 GLU H A 9 GLU HGy 1.0 1.8 5.0 49 45 A 9 GLU H A 10 LEU H 1.0 1.8 5.0 50 46 A 8 GLN H A 9 GLU H 1.0 1.8 3.5 51 47 A 10 LEU H A 9 GLU HA 1.0 1.8 3.5 52 48 A 10 LEU H A 10 LEU HBy 1.0 1.8 3.5 53 49 A 10 LEU H A 9 GLU HGx 1.0 1.8 5.0 54 49 A 9 GLU HGy A 10 LEU H 1.0 1.8 5.0 55 50 A 10 LEU H A 10 LEU HBx 1.0 1.8 3.5 56 51 A 10 LEU H A 10 LEU HG 1.0 1.8 5.0 57 52 A 10 LEU H A 10 LEU HDx% 1.0 1.8 5.0 58 53 A 10 LEU H A 10 LEU HDy% 1.0 1.8 5.0 59 54 A 10 LEU H A 11 HIS H 1.0 1.8 5.0 60 55 A 11 HIS H A 10 LEU HA 1.0 1.8 3.5 61 56 A 11 HIS H A 10 LEU HBx 1.0 1.8 5.0 62 57 A 11 HIS H A 10 LEU HBy 1.0 1.8 5.0 63 58 A 10 LEU HG A 11 HIS H 1.0 1.8 6.0 64 59 A 11 HIS H A 10 LEU HDx% 1.0 1.8 5.0 65 60 A 11 HIS H A 10 LEU HDy% 1.0 1.8 5.0 66 61 A 11 HIS H A 11 HIS HBx 1.0 1.8 5.0 67 61 A 11 HIS H A 11 HIS HBy 1.0 1.8 5.0 68 62 A 11 HIS HA A 12 THR H 1.0 1.8 3.5 69 63 A 12 THR H A 11 HIS HBx 1.0 1.8 5.0 70 63 A 11 HIS HBy A 12 THR H 1.0 1.8 5.0 71 64 A 12 THR H A 12 THR HB 1.0 1.8 5.0 72 65 A 12 THR H A 12 THR HG2% 1.0 1.8 5.0 73 66 A 12 THR H A 13 PHE H 1.0 1.8 5.0 74 67 A 11 HIS H A 12 THR H 1.0 1.8 5.0 75 68 A 12 THR HB A 13 PHE H 1.0 1.8 5.0 76 69 A 12 THR HG2% A 13 PHE H 1.0 1.8 5.0 77 70 A 13 PHE H A 12 THR HA 1.0 1.8 3.5 78 71 A 13 PHE H A 13 PHE HDx 1.0 1.8 5.0 79 72 A 13 PHE H A 14 GLU H 1.0 1.8 5.0 80 73 A 3 LEU H A 13 PHE H 1.0 1.8 5.0 81 74 A 14 GLU H A 13 PHE HA 1.0 1.8 3.5 82 75 A 14 GLU H A 13 PHE HBx 1.0 1.8 5.0 83 76 A 14 GLU H A 13 PHE HBy 1.0 1.8 5.0 84 77 A 14 GLU H A 13 PHE HDy 1.0 1.8 5.0 85 78 A 14 GLU H A 14 GLU HBx 1.0 1.8 3.5 86 78 A 14 GLU HBy A 14 GLU H 1.0 1.8 3.5 87 79 A 28 VAL HB A 29 ALA H 1.0 1.8 5.0 88 80 A 14 GLU H A 15 VAL H 1.0 1.8 5.0 89 81 A 15 VAL H A 1 MET HBx 1.0 1.8 5.0 90 81 A 1 MET HBy A 15 VAL H 1.0 1.8 5.0 91 82 A 15 VAL H A 14 GLU HBx 1.0 1.8 5.0 92 82 A 14 GLU HBy A 15 VAL H 1.0 1.8 5.0 93 83 A 15 VAL H A 14 GLU HA 1.0 1.8 3.5 94 84 A 15 VAL H A 15 VAL HGx% 1.0 1.8 5.0 95 85 A 15 VAL H A 15 VAL HGy% 1.0 1.8 5.0 96 86 A 15 VAL HB A 16 THR H 1.0 1.8 5.0 97 87 A 16 THR H A 15 VAL HGx% 1.0 1.8 5.0 98 88 A 16 THR H A 15 VAL HGy% 1.0 1.8 5.0 99 89 A 16 THR H A 17 GLY H 1.0 1.8 5.0 100 90 A 17 GLY H A 16 THR HB 1.0 1.8 5.0 101 91 A 18 GLN H A 18 GLN HGx 1.0 1.8 5.0 102 91 A 18 GLN H A 18 GLN HGy 1.0 1.8 5.0 103 92 A 18 GLN H A 19 GLU H 1.0 1.8 3.5 104 93 A 17 GLY H A 18 GLN H 1.0 1.8 3.5 105 94 A 19 GLU H A 18 GLN HGx 1.0 1.8 5.0 106 94 A 18 GLN HGy A 19 GLU H 1.0 1.8 5.0 107 95 A 19 GLU H A 20 THR H 1.0 1.8 5.0 108 96 A 20 THR H A 19 GLU HA 1.0 1.8 3.5 109 97 A 20 THR H A 19 GLU HBx 1.0 1.8 5.0 110 98 A 20 THR H A 23 GLN HBy 1.0 1.8 6.0 111 99 A 20 THR H A 19 GLU HGx 1.0 1.8 5.0 112 99 A 20 THR H A 19 GLU HGy 1.0 1.8 5.0 113 100 A 20 THR H A 20 THR HG2% 1.0 1.8 3.5 114 101 A 20 THR H A 21 VAL H 1.0 1.8 5.0 115 102 A 21 VAL H A 20 THR HA 1.0 1.8 3.5 116 103 A 21 VAL H A 20 THR HB 1.0 1.8 5.0 117 104 A 21 VAL H A 21 VAL HB 1.0 1.8 3.5 118 105 A 21 VAL H A 21 VAL HGx% 1.0 1.8 5.0 119 106 A 21 VAL H A 21 VAL HGy% 1.0 1.8 3.5 120 107 A 21 VAL H A 22 ALA H 1.0 1.8 5.0 121 108 A 21 VAL HB A 22 ALA H 1.0 1.8 5.0 122 109 A 21 VAL HGx% A 22 ALA H 1.0 1.8 5.0 123 110 A 21 VAL HGy% A 22 ALA H 1.0 1.8 5.0 124 111 A 22 ALA H A 22 ALA HB% 1.0 1.8 3.5 125 112 A 22 ALA HB% A 23 GLN H 1.0 1.8 3.5 126 113 A 23 GLN H A 23 GLN HBx 1.0 1.8 3.5 127 114 A 23 GLN H A 23 GLN HGy 1.0 1.8 5.0 128 115 A 23 GLN HBy A 23 GLN H 1.0 1.8 5.0 129 116 A 23 GLN H A 23 GLN HGx 1.0 1.8 5.0 130 117 A 22 ALA H A 23 GLN H 1.0 1.8 5.0 131 118 A 23 GLN HBx A 24 ILE H 1.0 1.8 5.0 132 119 A 23 GLN HBy A 24 ILE H 1.0 1.8 5.0 133 120 A 24 ILE H A 24 ILE HB 1.0 1.8 3.5 134 121 A 24 ILE H A 24 ILE HG1x 1.0 1.8 5.0 135 122 A 24 ILE H A 24 ILE HG1y 1.0 1.8 5.0 136 123 A 24 ILE H A 24 ILE HG2% 1.0 1.8 5.0 137 124 A 24 ILE H A 24 ILE HD1% 1.0 1.8 5.0 138 125 A 24 ILE H A 25 LYS H 1.0 1.8 3.5 139 126 A 23 GLN H A 24 ILE H 1.0 1.8 3.5 140 127 A 24 ILE HB A 25 LYS H 1.0 1.8 5.0 141 128 A 24 ILE HG2% A 25 LYS H 1.0 1.8 5.0 142 129 A 25 LYS H A 25 LYS HBx 1.0 1.8 3.5 143 129 A 25 LYS H A 25 LYS HBy 1.0 1.8 3.5 144 130 A 54 LEU H A 54 LEU HBy 1.0 1.8 5.0 145 131 A 25 LYS H A 25 LYS HGy 1.0 1.8 5.0 146 132 A 25 LYS H A 25 LYS HDx 1.0 1.8 5.0 147 132 A 25 LYS H A 25 LYS HDy 1.0 1.8 5.0 148 133 A 26 ALA H A 25 LYS HBx 1.0 1.8 5.0 149 133 A 25 LYS HBy A 26 ALA H 1.0 1.8 5.0 150 134 A 26 ALA H A 25 LYS HDx 1.0 1.8 6.0 151 134 A 25 LYS HDy A 26 ALA H 1.0 1.8 6.0 152 135 A 26 ALA H A 25 LYS HEx 1.0 1.8 6.0 153 135 A 26 ALA H A 25 LYS HEy 1.0 1.8 6.0 154 136 A 26 ALA H A 26 ALA HB% 1.0 1.8 3.5 155 137 A 25 LYS H A 26 ALA H 1.0 1.8 5.0 156 138 A 26 ALA HB% A 27 HIS H 1.0 1.8 3.5 157 139 A 27 HIS H A 27 HIS HBx 1.0 1.8 3.5 158 139 A 27 HIS H A 27 HIS HBy 1.0 1.8 3.5 159 140 A 26 ALA H A 27 HIS H 1.0 1.8 3.5 160 141 A 28 VAL H A 27 HIS HBx 1.0 1.8 3.5 161 141 A 27 HIS HBy A 28 VAL H 1.0 1.8 3.5 162 142 A 28 VAL HB A 28 VAL H 1.0 1.8 3.5 163 143 A 28 VAL H A 28 VAL HGx% 1.0 1.8 5.0 164 144 A 24 ILE HG2% A 28 VAL H 1.0 1.8 5.0 165 145 A 29 ALA H A 28 VAL H 1.0 1.8 3.5 166 146 A 27 HIS H A 28 VAL H 1.0 1.8 3.5 167 147 A 29 ALA H A 28 VAL HGy% 1.0 1.8 5.0 168 148 A 29 ALA H A 29 ALA HB% 1.0 1.8 3.5 169 149 A 29 ALA HB% A 30 SER H 1.0 1.8 3.5 170 150 A 30 SER H A 30 SER HBx 1.0 1.8 3.5 171 150 A 30 SER H A 30 SER HBy 1.0 1.8 3.5 172 151 A 29 ALA H A 30 SER H 1.0 1.8 3.5 173 152 A 31 LEU H A 30 SER HBx 1.0 1.8 5.0 174 152 A 30 SER HBy A 31 LEU H 1.0 1.8 5.0 175 153 A 31 LEU H A 31 LEU HBx 1.0 1.8 5.0 176 154 A 31 LEU H A 31 LEU HBy 1.0 1.8 3.5 177 155 A 31 LEU H A 31 LEU HG 1.0 1.8 3.5 178 156 A 31 LEU H A 31 LEU HDx% 1.0 1.8 5.0 179 157 A 31 LEU H A 31 LEU HDy% 1.0 1.8 5.0 180 158 A 31 LEU H A 32 GLU H 1.0 1.8 3.5 181 159 A 30 SER H A 31 LEU H 1.0 1.8 3.5 182 160 A 31 LEU HBx A 32 GLU H 1.0 1.8 5.0 183 161 A 31 LEU HBy A 32 GLU H 1.0 1.8 5.0 184 162 A 32 GLU H A 32 GLU HBx 1.0 1.8 5.0 185 163 A 31 LEU HG A 32 GLU H 1.0 1.8 5.0 186 164 A 32 GLU H A 32 GLU HBy 1.0 1.8 5.0 187 165 A 32 GLU H A 32 GLU HGy 1.0 1.8 5.0 188 166 A 33 GLY H A 32 GLU HBx 1.0 1.8 5.0 189 167 A 33 GLY H A 32 GLU HBy 1.0 1.8 5.0 190 168 A 33 GLY H A 34 ILE H 1.0 1.8 3.5 191 169 A 34 ILE H A 29 ALA HA 1.0 1.8 5.0 192 170 A 34 ILE H A 34 ILE HB 1.0 1.8 5.0 193 171 A 34 ILE H A 34 ILE HG1x 1.0 1.8 5.0 194 172 A 34 ILE H A 34 ILE HG1y 1.0 1.8 5.0 195 173 A 34 ILE H A 34 ILE HG2% 1.0 1.8 5.0 196 174 A 34 ILE H A 35 ALA H 1.0 1.8 5.0 197 175 A 35 ALA H A 34 ILE HA 1.0 1.8 3.5 198 176 A 34 ILE HB A 35 ALA H 1.0 1.8 3.5 199 177 A 34 ILE HG2% A 35 ALA H 1.0 1.8 5.0 200 178 A 35 ALA H A 34 ILE HD1% 1.0 1.8 5.0 201 179 A 35 ALA H A 35 ALA HB% 1.0 1.8 3.5 202 180 A 37 GLU H A 37 GLU HBx 1.0 1.8 3.5 203 180 A 37 GLU H A 37 GLU HBy 1.0 1.8 3.5 204 181 A 37 GLU H A 36 PRO HGy 1.0 1.8 5.0 205 182 A 37 GLU H A 36 PRO HDy 1.0 1.8 5.0 206 183 A 37 GLU H A 36 PRO HDx 1.0 1.8 5.0 207 184 A 37 GLU H A 37 GLU HGx 1.0 1.8 5.0 208 184 A 37 GLU H A 37 GLU HGy 1.0 1.8 5.0 209 185 A 37 GLU H A 38 ASP H 1.0 1.8 5.0 210 186 A 38 ASP H A 37 GLU HBx 1.0 1.8 5.0 211 186 A 37 GLU HBy A 38 ASP H 1.0 1.8 5.0 212 187 A 38 ASP H A 37 GLU HGx 1.0 1.8 5.0 213 187 A 37 GLU HGy A 38 ASP H 1.0 1.8 5.0 214 188 A 38 ASP H A 38 ASP HBx 1.0 1.8 5.0 215 189 A 38 ASP H A 38 ASP HBy 1.0 1.8 5.0 216 190 A 38 ASP HA A 39 GLN H 1.0 1.8 5.0 217 191 A 39 GLN H A 39 GLN HBx 1.0 1.8 5.0 218 192 A 39 GLN H A 39 GLN HBy 1.0 1.8 5.0 219 193 A 39 GLN H A 39 GLN HGx 1.0 1.8 5.0 220 194 A 37 GLU H A 39 GLN H 1.0 1.8 5.0 221 195 A 39 GLN H A 40 VAL H 1.0 1.8 6.0 222 196 A 40 VAL H A 39 GLN HA 1.0 1.8 3.5 223 197 A 40 VAL H A 25 LYS HDx 1.0 1.8 5.0 224 197 A 25 LYS HDy A 40 VAL H 1.0 1.8 5.0 225 198 A 40 VAL HA A 41 VAL H 1.0 1.8 3.5 226 199 A 41 VAL H A 41 VAL HB 1.0 1.8 3.5 227 200 A 41 VAL H A 40 VAL HGx% 1.0 1.8 5.0 228 201 A 40 VAL H A 41 VAL H 1.0 1.8 5.0 229 202 A 41 VAL HA A 42 LEU H 1.0 1.8 3.5 230 203 A 41 VAL HB A 42 LEU H 1.0 1.8 5.0 231 204 A 42 LEU H A 42 LEU HBy 1.0 1.8 5.0 232 205 A 42 LEU H A 42 LEU HBx 1.0 1.8 5.0 233 206 A 42 LEU H A 42 LEU HG 1.0 1.8 5.0 234 207 A 42 LEU H A 65 LEU HBx 1.0 1.8 5.0 235 208 A 42 LEU H A 42 LEU HDx% 1.0 1.8 5.0 236 209 A 41 VAL H A 42 LEU H 1.0 1.8 5.0 237 210 A 42 LEU HA A 43 LEU H 1.0 1.8 3.5 238 211 A 43 LEU H A 48 LEU HG 1.0 1.8 5.0 239 212 A 43 LEU H A 43 LEU HBy 1.0 1.8 5.0 240 213 A 43 LEU H A 43 LEU HBx 1.0 1.8 5.0 241 214 A 43 LEU H A 43 LEU HG 1.0 1.8 5.0 242 215 A 43 LEU H A 48 LEU HDy% 1.0 1.8 5.0 243 216 A 42 LEU H A 43 LEU H 1.0 1.8 5.0 244 217 A 44 ALA HA A 45 GLY H 1.0 1.8 3.5 245 218 A 45 GLY H A 44 ALA HB% 1.0 1.8 5.0 246 219 A 45 GLY H A 44 ALA H 1.0 1.8 5.0 247 220 A 46 ALA H A 46 ALA HB% 1.0 1.8 3.5 248 221 A 47 PRO HA A 48 LEU H 1.0 1.8 3.5 249 222 A 48 LEU H A 47 PRO HBy 1.0 1.8 5.0 250 223 A 48 LEU H A 47 PRO HBx 1.0 1.8 5.0 251 224 A 48 LEU H A 48 LEU HBx 1.0 1.8 5.0 252 225 A 48 LEU H A 48 LEU HBy 1.0 1.8 5.0 253 226 A 48 LEU HG A 48 LEU H 1.0 1.8 5.0 254 227 A 48 LEU H A 48 LEU HDy% 1.0 1.8 5.0 255 228 A 48 LEU H A 49 GLU H 1.0 1.8 5.0 256 229 A 49 GLU H A 48 LEU HA 1.0 1.8 3.5 257 230 A 48 LEU HBx A 49 GLU H 1.0 1.8 5.0 258 231 A 67 VAL H A 6 ARG HGx 1.0 1.8 5.0 259 231 A 6 ARG HGy A 67 VAL H 1.0 1.8 5.0 260 232 A 48 LEU HBy A 49 GLU H 1.0 1.8 6.0 261 233 A 48 LEU HG A 49 GLU H 1.0 1.8 6.0 262 234 A 49 GLU HA A 50 ASP H 1.0 1.8 3.5 263 235 A 50 ASP H A 49 GLU HBx 1.0 1.8 5.0 264 236 A 50 ASP H A 49 GLU HBy 1.0 1.8 5.0 265 237 A 50 ASP H A 49 GLU HGx 1.0 1.8 5.0 266 237 A 50 ASP H A 49 GLU HGy 1.0 1.8 5.0 267 238 A 50 ASP H A 50 ASP HBx 1.0 1.8 3.5 268 238 A 50 ASP H A 50 ASP HBy 1.0 1.8 3.5 269 239 A 50 ASP H A 51 GLU H 1.0 1.8 3.5 270 240 A 49 GLU H A 50 ASP H 1.0 1.8 5.0 271 241 A 51 GLU H A 50 ASP HBx 1.0 1.8 5.0 272 241 A 50 ASP HBy A 51 GLU H 1.0 1.8 5.0 273 242 A 51 GLU H A 49 GLU HBx 1.0 1.8 5.0 274 243 A 51 GLU H A 51 GLU HBy 1.0 1.8 5.0 275 244 A 51 GLU H A 51 GLU HGx 1.0 1.8 3.5 276 244 A 51 GLU H A 51 GLU HGy 1.0 1.8 3.5 277 245 A 50 ASP HA A 52 ALA H 1.0 1.8 5.0 278 246 A 52 ALA H A 52 ALA HB% 1.0 1.8 3.5 279 247 A 51 GLU H A 52 ALA H 1.0 1.8 3.5 280 248 A 52 ALA HA A 53 THR H 1.0 1.8 3.5 281 249 A 52 ALA HB% A 53 THR H 1.0 1.8 3.5 282 250 A 53 THR H A 53 THR HB 1.0 1.8 5.0 283 251 A 53 THR H A 53 THR HG2% 1.0 1.8 3.5 284 252 A 52 ALA H A 53 THR H 1.0 1.8 5.0 285 253 A 54 LEU H A 53 THR HB 1.0 1.8 3.5 286 254 A 54 LEU H A 54 LEU HBx 1.0 1.8 5.0 287 255 A 25 LYS H A 25 LYS HGx 1.0 1.8 5.0 288 256 A 54 LEU H A 54 LEU HDy% 1.0 1.8 5.0 289 257 A 54 LEU H A 55 GLY H 1.0 1.8 5.0 290 258 A 54 LEU H A 53 THR H 1.0 1.8 5.0 291 259 A 55 GLY H A 54 LEU HBx 1.0 1.8 5.0 292 260 A 55 GLY H A 54 LEU HBy 1.0 1.8 5.0 293 261 A 55 GLY H A 54 LEU HDy% 1.0 1.8 6.0 294 262 A 56 GLN H A 56 GLN HBy 1.0 1.8 5.0 295 263 A 56 GLN H A 56 GLN HBx 1.0 1.8 5.0 296 264 A 56 GLN H A 56 GLN HGx 1.0 1.8 5.0 297 264 A 56 GLN H A 56 GLN HGy 1.0 1.8 5.0 298 265 A 55 GLY H A 56 GLN H 1.0 1.8 5.0 299 266 A 57 CYS H A 56 GLN HBy 1.0 1.8 5.0 300 267 A 57 CYS H A 56 GLN HBx 1.0 1.8 5.0 301 268 A 57 CYS H A 56 GLN HGx 1.0 1.8 5.0 302 268 A 56 GLN HGy A 57 CYS H 1.0 1.8 5.0 303 269 A 57 CYS H A 57 CYS HBx 1.0 1.8 5.0 304 270 A 57 CYS H A 57 CYS HBy 1.0 1.8 5.0 305 271 A 57 CYS H A 58 GLY H 1.0 1.8 3.5 306 272 A 56 GLN H A 57 CYS H 1.0 1.8 3.5 307 273 A 59 VAL H A 59 VAL HB 1.0 1.8 3.5 308 274 A 59 VAL H A 59 VAL HGx% 1.0 1.8 5.0 309 275 A 59 VAL H A 59 VAL HGy% 1.0 1.8 5.0 310 276 A 59 VAL H A 60 GLU H 1.0 1.8 5.0 311 277 A 58 GLY H A 59 VAL H 1.0 1.8 3.5 312 278 A 60 GLU H A 59 VAL HA 1.0 1.8 3.5 313 279 A 60 GLU H A 1 MET HE% 1.0 1.8 5.0 314 280 A 60 GLU H A 59 VAL HGx% 1.0 1.8 5.0 315 281 A 60 GLU H A 59 VAL HGy% 1.0 1.8 5.0 316 282 A 60 GLU H A 60 GLU HBx 1.0 1.8 5.0 317 283 A 60 GLU H A 60 GLU HBy 1.0 1.8 5.0 318 284 A 60 GLU H A 60 GLU HGx 1.0 1.8 5.0 319 285 A 60 GLU H A 60 GLU HGy 1.0 1.8 5.0 320 286 A 60 GLU HA A 61 ALA H 1.0 1.8 3.5 321 287 A 61 ALA H A 60 GLU HBx 1.0 1.8 5.0 322 288 A 61 ALA H A 60 GLU HBy 1.0 1.8 5.0 323 289 A 61 ALA H A 60 GLU HGx 1.0 1.8 5.0 324 290 A 61 ALA H A 60 GLU HGy 1.0 1.8 5.0 325 291 A 61 ALA H A 61 ALA HB% 1.0 1.8 3.5 326 292 A 60 GLU H A 61 ALA H 1.0 1.8 5.0 327 293 A 61 ALA HA A 62 LEU H 1.0 1.8 3.5 328 294 A 61 ALA HB% A 62 LEU H 1.0 1.8 5.0 329 295 A 62 LEU H A 62 LEU HDx% 1.0 1.8 5.0 330 296 A 62 LEU H A 62 LEU HDy% 1.0 1.8 5.0 331 297 A 63 THR H A 62 LEU HDx% 1.0 1.8 5.0 332 298 A 63 THR H A 62 LEU HDy% 1.0 1.8 5.0 333 299 A 63 THR H A 63 THR HB 1.0 1.8 3.5 334 300 A 63 THR H A 63 THR HG2% 1.0 1.8 5.0 335 301 A 4 PHE H A 63 THR H 1.0 1.8 5.0 336 302 A 62 LEU H A 63 THR H 1.0 1.8 3.5 337 303 A 63 THR HA A 64 THR H 1.0 1.8 3.5 338 304 A 63 THR HB A 64 THR H 1.0 1.8 5.0 339 305 A 63 THR HG2% A 64 THR H 1.0 1.8 3.5 340 306 A 64 THR H A 64 THR HB 1.0 1.8 3.5 341 307 A 64 THR H A 64 THR HG2% 1.0 1.8 5.0 342 308 A 63 THR H A 64 THR H 1.0 1.8 5.0 343 309 A 64 THR HA A 65 LEU H 1.0 1.8 3.5 344 310 A 64 THR HG2% A 65 LEU H 1.0 1.8 5.0 345 311 A 65 LEU HBx A 65 LEU H 1.0 1.8 5.0 346 312 A 65 LEU H A 65 LEU HBy 1.0 1.8 3.5 347 313 A 65 LEU H A 65 LEU HDy% 1.0 1.8 5.0 348 314 A 65 LEU H A 66 GLU H 1.0 1.8 5.0 349 315 A 4 PHE H A 65 LEU H 1.0 1.8 5.0 350 316 A 64 THR H A 65 LEU H 1.0 1.8 6.0 351 317 A 54 LEU H A 53 THR HA 1.0 1.8 3.5 352 318 A 66 GLU H A 65 LEU HA 1.0 1.8 3.5 353 319 A 65 LEU HBx A 66 GLU H 1.0 1.8 5.0 354 320 A 65 LEU HBy A 66 GLU H 1.0 1.8 5.0 355 321 A 66 GLU H A 65 LEU HDx% 1.0 1.8 6.0 356 322 A 54 LEU H A 54 LEU HDx% 1.0 1.8 5.0 357 323 A 66 GLU H A 66 GLU HBx 1.0 1.8 5.0 358 324 A 66 GLU H A 66 GLU HBy 1.0 1.8 5.0 359 325 A 66 GLU H A 66 GLU HGx 1.0 1.8 5.0 360 326 A 66 GLU H A 66 GLU HGy 1.0 1.8 5.0 361 327 A 67 VAL H A 66 GLU HA 1.0 1.8 3.5 362 328 A 49 GLU H A 49 GLU HBy 1.0 1.8 5.0 363 329 A 67 VAL H A 66 GLU HGy 1.0 1.8 5.0 364 330 A 49 GLU H A 49 GLU HBx 1.0 1.8 5.0 365 331 A 67 VAL H A 67 VAL HB 1.0 1.8 5.0 366 332 A 67 VAL H A 66 GLU H 1.0 1.8 5.0 367 333 A 67 VAL HA A 68 ALA H 1.0 1.8 3.5 368 334 A 67 VAL HB A 68 ALA H 1.0 1.8 5.0 369 335 A 68 ALA H A 68 ALA HB% 1.0 1.8 3.5 370 336 A 68 ALA H A 69 GLY H 1.0 1.8 5.0 371 337 A 67 VAL H A 68 ALA H 1.0 1.8 5.0 372 338 A 69 GLY H A 68 ALA HA 1.0 1.8 3.5 373 339 A 68 ALA HB% A 69 GLY H 1.0 1.8 3.5 374 340 A 69 GLY H A 70 ARG H 1.0 1.8 5.0 375 341 A 70 ARG H A 70 ARG HBx 1.0 1.8 5.0 376 342 A 70 ARG H A 70 ARG HBy 1.0 1.8 5.0 377 343 A 70 ARG H A 70 ARG HGx 1.0 1.8 5.0 378 343 A 70 ARG H A 70 ARG HGy 1.0 1.8 5.0 379 344 A 71 MET HA A 72 LEU H 1.0 1.8 5.0 380 345 A 73 GLY H A 74 GLY H 1.0 1.8 5.0 381 346 A 1 MET H A 1 MET HBx 1.0 1.8 5.0 382 346 A 1 MET HBy A 1 MET H 1.0 1.8 5.0 383 347 A 1 MET H A 1 MET HGx 1.0 1.8 5.0 384 348 A 1 MET H A 16 THR HA 1.0 1.8 5.0 385 349 A 14 GLU HA A 1 MET H 1.0 1.8 6.0 386 350 A 4 PHE H A 13 PHE H 1.0 1.8 5.0 387 351 A 2 GLN H A 61 ALA HB% 1.0 1.8 5.0 388 352 A 4 PHE H A 64 THR HA 1.0 1.8 5.0 389 353 A 2 GLN H A 62 LEU H 1.0 1.8 5.0 390 354 A 5 VAL H A 11 HIS HBx 1.0 1.8 5.0 391 354 A 5 VAL H A 11 HIS HBy 1.0 1.8 5.0 392 355 A 40 VAL H A 25 LYS HEx 1.0 1.8 6.0 393 355 A 25 LYS HEy A 40 VAL H 1.0 1.8 6.0 394 356 A 5 VAL H A 5 VAL HB 1.0 1.8 5.0 395 357 A 40 VAL H A 40 VAL HB 1.0 1.8 5.0 396 358 A 6 ARG H A 65 LEU H 1.0 1.8 5.0 397 359 A 6 ARG H A 66 GLU HA 1.0 1.8 5.0 398 360 A 6 ARG H A 64 THR HG2% 1.0 1.8 5.0 399 361 A 7 ALA H A 9 GLU H 1.0 1.8 5.0 400 362 A 7 ALA H A 11 HIS H 1.0 1.8 5.0 401 363 A 7 ALA H A 10 LEU HA 1.0 1.8 5.0 402 364 A 5 VAL HB A 7 ALA H 1.0 1.8 6.0 403 365 A 7 ALA H A 67 VAL HB 1.0 1.8 6.0 404 366 A 7 ALA H A 64 THR HG2% 1.0 1.8 6.0 405 367 A 7 ALA HB% A 9 GLU H 1.0 1.8 3.5 406 368 A 6 ARG HA A 11 HIS H 1.0 1.8 5.0 407 369 A 4 PHE HBx A 12 THR H 1.0 1.8 6.0 408 370 A 4 PHE HA A 13 PHE H 1.0 1.8 5.0 409 371 A 2 GLN HA A 13 PHE H 1.0 1.8 6.0 410 372 A 70 ARG H A 71 MET H 1.0 1.8 5.0 411 373 A 15 VAL H A 1 MET H 1.0 1.8 5.0 412 374 A 2 GLN HA A 15 VAL H 1.0 1.8 5.0 413 375 A 1 MET HA A 15 VAL H 1.0 1.8 6.0 414 376 A 15 VAL H A 1 MET HGx 1.0 1.8 6.0 415 377 A 15 VAL H A 1 MET HGy 1.0 1.8 6.0 416 378 A 17 GLY H A 19 GLU H 1.0 1.8 5.0 417 379 A 17 GLY H A 15 VAL HA 1.0 1.8 5.0 418 380 A 15 VAL HB A 17 GLY H 1.0 1.8 5.0 419 381 A 17 GLY H A 1 MET HE% 1.0 1.8 5.0 420 382 A 17 GLY H A 54 LEU HBy 1.0 1.8 5.0 421 383 A 17 GLY H A 54 LEU HBx 1.0 1.8 5.0 422 384 A 19 GLU H A 54 LEU H 1.0 1.8 5.0 423 385 A 20 THR H A 23 GLN HBx 1.0 1.8 5.0 424 386 A 20 THR H A 22 ALA HB% 1.0 1.8 6.0 425 387 A 20 THR HA A 22 ALA H 1.0 1.8 5.0 426 388 A 22 ALA H A 50 ASP HA 1.0 1.8 5.0 427 389 A 20 THR HG2% A 22 ALA H 1.0 1.8 5.0 428 390 A 20 THR H A 23 GLN H 1.0 1.8 5.0 429 391 A 20 THR HG2% A 23 GLN H 1.0 1.8 5.0 430 392 A 21 VAL HGy% A 23 GLN H 1.0 1.8 6.0 431 393 A 20 THR H A 24 ILE H 1.0 1.8 5.0 432 394 A 24 ILE H A 21 VAL HA 1.0 1.8 5.0 433 395 A 21 VAL HGx% A 24 ILE H 1.0 1.8 5.0 434 396 A 25 LYS H A 26 ALA HB% 1.0 1.8 5.0 435 397 A 24 ILE H A 26 ALA H 1.0 1.8 5.0 436 398 A 26 ALA H A 27 HIS HBx 1.0 1.8 5.0 437 398 A 26 ALA H A 27 HIS HBy 1.0 1.8 5.0 438 399 A 26 ALA H A 36 PRO HBy 1.0 1.8 5.0 439 400 A 26 ALA H A 36 PRO HBx 1.0 1.8 5.0 440 401 A 26 ALA H A 29 ALA HB% 1.0 1.8 6.0 441 402 A 21 VAL HGx% A 26 ALA H 1.0 1.8 6.0 442 403 A 29 ALA H A 27 HIS H 1.0 1.8 5.0 443 404 A 27 HIS H A 24 ILE HA 1.0 1.8 5.0 444 405 A 28 VAL H A 25 LYS HA 1.0 1.8 5.0 445 406 A 26 ALA HB% A 28 VAL H 1.0 1.8 6.0 446 407 A 28 VAL H A 29 ALA HB% 1.0 1.8 5.0 447 408 A 71 MET H A 70 ARG HGx 1.0 1.8 5.0 448 408 A 70 ARG HGy A 71 MET H 1.0 1.8 5.0 449 409 A 30 SER H A 27 HIS HA 1.0 1.8 5.0 450 410 A 30 SER H A 31 LEU HBy 1.0 1.8 6.0 451 411 A 28 VAL H A 31 LEU H 1.0 1.8 6.0 452 412 A 31 LEU H A 32 GLU HA 1.0 1.8 6.0 453 413 A 31 LEU H A 29 ALA HA 1.0 1.8 5.0 454 414 A 31 LEU H A 28 VAL HA 1.0 1.8 5.0 455 415 A 32 GLU H A 29 ALA HA 1.0 1.8 5.0 456 416 A 32 GLU H A 30 SER HA 1.0 1.8 6.0 457 417 A 30 SER H A 33 GLY H 1.0 1.8 5.0 458 418 A 33 GLY H A 30 SER HA 1.0 1.8 5.0 459 419 A 33 GLY H A 31 LEU HA 1.0 1.8 5.0 460 420 A 29 ALA HB% A 33 GLY H 1.0 1.8 5.0 461 421 A 29 ALA HB% A 34 ILE H 1.0 1.8 5.0 462 422 A 35 ALA H A 37 GLU H 1.0 1.8 6.0 463 423 A 35 ALA H A 38 ASP H 1.0 1.8 6.0 464 424 A 35 ALA HB% A 37 GLU H 1.0 1.8 5.0 465 425 A 35 ALA HB% A 38 ASP H 1.0 1.8 5.0 466 426 A 39 GLN H A 37 GLU HA 1.0 1.8 5.0 467 427 A 39 GLN H A 39 GLN HGy 1.0 1.8 5.0 468 428 A 40 VAL H A 41 VAL HA 1.0 1.8 6.0 469 429 A 40 VAL H A 68 ALA HA 1.0 1.8 6.0 470 430 A 41 VAL H A 25 LYS HDx 1.0 1.8 5.0 471 430 A 25 LYS HDy A 41 VAL H 1.0 1.8 5.0 472 431 A 42 LEU H A 67 VAL HA 1.0 1.8 5.0 473 432 A 42 LEU H A 66 GLU HBy 1.0 1.8 6.0 474 433 A 42 LEU H A 66 GLU HBx 1.0 1.8 5.0 475 434 A 43 LEU H A 46 ALA H 1.0 1.8 5.0 476 435 A 43 LEU H A 48 LEU HBy 1.0 1.8 5.0 477 436 A 43 LEU H A 48 LEU HDx% 1.0 1.8 5.0 478 437 A 42 LEU HBy A 45 GLY H 1.0 1.8 5.0 479 438 A 45 GLY H A 46 ALA H 1.0 1.8 3.5 480 439 A 46 ALA H A 43 LEU HA 1.0 1.8 5.0 481 440 A 43 LEU HBx A 46 ALA H 1.0 1.8 5.0 482 441 A 42 LEU HBx A 46 ALA H 1.0 1.8 5.0 483 442 A 43 LEU H A 48 LEU H 1.0 1.8 5.0 484 443 A 42 LEU HA A 48 LEU H 1.0 1.8 5.0 485 444 A 21 VAL HGy% A 48 LEU H 1.0 1.8 5.0 486 445 A 48 LEU H A 48 LEU HDx% 1.0 1.8 5.0 487 446 A 49 GLU H A 49 GLU HGx 1.0 1.8 5.0 488 446 A 49 GLU H A 49 GLU HGy 1.0 1.8 5.0 489 447 A 49 GLU H A 52 ALA HB% 1.0 1.8 5.0 490 448 A 21 VAL HGy% A 49 GLU H 1.0 1.8 5.0 491 449 A 50 ASP H A 52 ALA H 1.0 1.8 5.0 492 450 A 50 ASP H A 51 GLU HGx 1.0 1.8 5.0 493 450 A 50 ASP H A 51 GLU HGy 1.0 1.8 5.0 494 451 A 50 ASP H A 52 ALA HB% 1.0 1.8 5.0 495 452 A 21 VAL HGx% A 50 ASP H 1.0 1.8 5.0 496 453 A 20 THR HB A 51 GLU H 1.0 1.8 6.0 497 454 A 49 GLU HA A 51 GLU H 1.0 1.8 5.0 498 455 A 51 GLU H A 52 ALA HA 1.0 1.8 5.0 499 456 A 51 GLU H A 49 GLU HBy 1.0 1.8 5.0 500 457 A 21 VAL HGy% A 51 GLU H 1.0 1.8 6.0 501 458 A 21 VAL H A 52 ALA H 1.0 1.8 5.0 502 459 A 49 GLU HA A 52 ALA H 1.0 1.8 5.0 503 460 A 21 VAL HB A 52 ALA H 1.0 1.8 6.0 504 461 A 52 ALA H A 50 ASP HBx 1.0 1.8 6.0 505 461 A 50 ASP HBy A 52 ALA H 1.0 1.8 6.0 506 462 A 52 ALA H A 49 GLU HGx 1.0 1.8 6.0 507 462 A 49 GLU HGy A 52 ALA H 1.0 1.8 6.0 508 463 A 52 ALA H A 49 GLU HBy 1.0 1.8 5.0 509 464 A 52 ALA H A 49 GLU HBx 1.0 1.8 5.0 510 465 A 20 THR HG2% A 52 ALA H 1.0 1.8 5.0 511 466 A 21 VAL HGy% A 52 ALA H 1.0 1.8 5.0 512 467 A 53 THR H A 56 GLN H 1.0 1.8 5.0 513 468 A 53 THR H A 56 GLN HBy 1.0 1.8 5.0 514 469 A 53 THR H A 56 GLN HBx 1.0 1.8 5.0 515 470 A 55 GLY H A 53 THR HA 1.0 1.8 5.0 516 471 A 53 THR HB A 55 GLY H 1.0 1.8 5.0 517 472 A 55 GLY H A 1 MET HE% 1.0 1.8 5.0 518 473 A 57 CYS H A 54 LEU HA 1.0 1.8 5.0 519 474 A 57 CYS H A 59 VAL H 1.0 1.8 5.0 520 475 A 60 GLU H A 63 THR HB 1.0 1.8 5.0 521 476 A 3 LEU HA A 62 LEU H 1.0 1.8 5.0 522 477 A 3 LEU HA A 63 THR H 1.0 1.8 5.0 523 478 A 61 ALA HA A 63 THR H 1.0 1.8 5.0 524 479 A 3 LEU HBx A 63 THR H 1.0 1.8 5.0 525 480 A 63 THR HG2% A 65 LEU H 1.0 1.8 5.0 526 481 A 42 LEU H A 66 GLU H 1.0 1.8 5.0 527 482 A 54 LEU H A 18 GLN HA 1.0 1.8 5.0 528 483 A 40 VAL H A 68 ALA H 1.0 1.8 5.0 529 484 A 66 GLU HGy A 68 ALA H 1.0 1.8 5.0 530 485 A 66 GLU HGx A 68 ALA H 1.0 1.8 6.0 531 486 A 42 LEU HG A 68 ALA H 1.0 1.8 5.0 532 487 A 39 GLN HA A 70 ARG H 1.0 1.8 5.0 533 488 A 40 VAL HB A 71 MET H 1.0 1.8 5.0 534 489 A 29 ALA HB% A 39 GLN HE2y 1.0 1.8 5.0 535 490 A 29 ALA HB% A 39 GLN HE2x 1.0 1.8 5.0 536 491 A 12 THR HG2% A 2 GLN HE2y 1.0 1.8 5.0 537 492 A 12 THR HG2% A 2 GLN HE2x 1.0 1.8 5.0 538 493 A 4 PHE H A 62 LEU HA 1.0 1.8 5.0 539 494 A 44 ALA HA A 43 LEU HA 1.0 1.8 5.0 540 495 A 43 LEU HG A 44 ALA HA 1.0 1.8 6.0 541 496 A 68 ALA HB% A 70 ARG H 1.0 1.8 5.0 542 497 A 66 GLU HBx A 68 ALA HB% 1.0 1.8 5.0 543 498 A 42 LEU HG A 68 ALA HB% 1.0 1.8 3.5 544 499 A 68 ALA HB% A 42 LEU HDx% 1.0 1.8 5.0 545 500 A 68 ALA HB% A 42 LEU HDy% 1.0 1.8 5.0 546 501 A 40 VAL HA A 25 LYS HDx 1.0 1.8 5.0 547 501 A 25 LYS HDy A 40 VAL HA 1.0 1.8 5.0 548 502 A 40 VAL HA A 41 VAL HA 1.0 1.8 5.0 549 503 A 48 LEU HDx% A 57 CYS HBx 1.0 1.8 5.0 550 504 A 48 LEU HDx% A 57 CYS HBy 1.0 1.8 5.0 551 505 A 52 ALA HB% A 49 GLU HBx 1.0 1.8 5.0 552 506 A 21 VAL HGy% A 52 ALA HB% 1.0 1.8 5.0 553 507 A 52 ALA HB% A 49 GLU HBy 1.0 1.8 5.0 554 508 A 21 VAL HB A 52 ALA HB% 1.0 1.8 6.0 555 509 A 51 GLU H A 52 ALA HB% 1.0 1.8 5.0 556 510 A 34 ILE HD1% A 32 GLU HGx 1.0 1.8 5.0 557 511 A 34 ILE HD1% A 32 GLU HGy 1.0 1.8 5.0 558 512 A 19 GLU HA A 23 GLN HBx 1.0 1.8 5.0 559 513 A 19 GLU HA A 20 THR HG2% 1.0 1.8 5.0 560 514 A 23 GLN HBx A 19 GLU HGx 1.0 1.8 3.5 561 514 A 19 GLU HGy A 23 GLN HBx 1.0 1.8 3.5 562 515 A 35 ALA HB% A 37 GLU HGx 1.0 1.8 5.0 563 515 A 35 ALA HB% A 37 GLU HGy 1.0 1.8 5.0 564 516 A 20 THR HB A 50 ASP HA 1.0 1.8 5.0 565 517 A 21 VAL HGy% A 50 ASP HA 1.0 1.8 5.0 566 518 A 21 VAL H A 50 ASP HA 1.0 1.8 5.0 567 519 A 1 MET HE% A 54 LEU HDy% 1.0 1.8 5.0 568 520 A 24 ILE HD1% A 54 LEU HDy% 1.0 1.8 5.0 569 521 A 26 ALA HA A 36 PRO HBy 1.0 1.8 5.0 570 522 A 29 ALA HA A 34 ILE HG1y 1.0 1.8 5.0 571 523 A 29 ALA HA A 34 ILE HG1x 1.0 1.8 5.0 572 524 A 29 ALA HB% A 36 PRO HDx 1.0 1.8 5.0 573 525 A 29 ALA HB% A 34 ILE HG2% 1.0 1.8 5.0 574 526 A 34 ILE HG2% A 35 ALA HB% 1.0 1.8 6.0 575 527 A 61 ALA HA A 1 MET HBx 1.0 1.8 5.0 576 527 A 1 MET HBy A 61 ALA HA 1.0 1.8 5.0 577 528 A 1 MET HE% A 61 ALA HA 1.0 1.8 5.0 578 529 A 61 ALA HB% A 63 THR H 1.0 1.8 5.0 579 530 A 1 MET HE% A 61 ALA HB% 1.0 1.8 5.0 580 531 A 16 THR H A 16 THR HG2% 1.0 1.8 5.0 581 532 A 1 MET H A 15 VAL HA 1.0 1.8 6.0 582 533 A 3 LEU HBx A 15 VAL HGx% 1.0 1.8 6.0 583 534 A 3 LEU HBx A 15 VAL HGy% 1.0 1.8 6.0 584 535 A 53 THR HB A 55 GLY HAx 1.0 1.8 6.0 585 535 A 53 THR HB A 55 GLY HAy 1.0 1.8 6.0 586 536 A 3 LEU HA A 62 LEU HA 1.0 1.8 5.0 587 537 A 9 GLU HGy A 8 GLN HGx 1.0 1.8 5.0 588 537 A 8 GLN HGx A 9 GLU HGx 1.0 1.8 5.0 589 538 A 9 GLU HGy A 8 GLN HGy 1.0 1.8 5.0 590 538 A 8 GLN HGy A 9 GLU HGx 1.0 1.8 5.0 591 539 A 3 LEU H A 14 GLU HA 1.0 1.8 5.0 592 540 A 2 GLN HA A 14 GLU HBx 1.0 1.8 5.0 593 540 A 2 GLN HA A 14 GLU HBy 1.0 1.8 5.0 594 541 A 29 ALA HB% A 36 PRO HDy 1.0 1.8 5.0 595 542 A 35 ALA HB% A 36 PRO HDy 1.0 1.8 6.0 596 543 A 53 THR HB A 18 GLN HA 1.0 1.8 5.0 597 544 A 53 THR HG2% A 18 GLN HA 1.0 1.8 5.0 598 545 A 53 THR HA A 18 GLN HA 1.0 1.8 5.0 599 546 A 42 LEU HA A 46 ALA HB% 1.0 1.8 6.0 600 547 A 42 LEU HA A 47 PRO HA 1.0 1.8 5.0 601 548 A 4 PHE HA A 12 THR HA 1.0 1.8 5.0 602 549 A 4 PHE HBx A 64 THR HA 1.0 1.8 5.0 603 550 A 24 ILE HB A 21 VAL HA 1.0 1.8 5.0 604 551 A 21 VAL HGx% A 25 LYS HEx 1.0 1.8 5.0 605 551 A 21 VAL HGx% A 25 LYS HEy 1.0 1.8 5.0 606 552 A 21 VAL HGx% A 25 LYS HDx 1.0 1.8 5.0 607 552 A 21 VAL HGx% A 25 LYS HDy 1.0 1.8 5.0 608 553 A 21 VAL HGx% A 48 LEU HBy 1.0 1.8 5.0 609 554 A 21 VAL HGx% A 50 ASP HA 1.0 1.8 3.5 610 555 A 21 VAL HGx% A 48 LEU H 1.0 1.8 5.0 611 556 A 20 THR HG2% A 21 VAL HGy% 1.0 1.8 5.0 612 557 A 21 VAL HGy% A 48 LEU HBx 1.0 1.8 3.5 613 558 A 21 VAL HGy% A 41 VAL H 1.0 1.8 6.0 614 559 A 65 LEU H A 65 LEU HDx% 1.0 1.8 5.0 615 560 A 66 GLU H A 65 LEU HDy% 1.0 1.8 6.0 616 561 A 24 ILE HG2% A 13 PHE HEx 1.0 1.8 5.0 617 562 A 24 ILE HG2% A 41 VAL HGy% 1.0 1.8 3.5 618 563 A 20 THR H A 24 ILE HD1% 1.0 1.8 6.0 619 564 A 23 GLN HBx A 24 ILE HD1% 1.0 1.8 5.0 620 565 A 24 ILE HD1% A 54 LEU HDx% 1.0 1.8 5.0 621 566 A 20 THR HG2% A 52 ALA HB% 1.0 1.8 5.0 622 567 A 20 THR HG2% A 52 ALA HA 1.0 1.8 5.0 623 568 A 52 ALA HA A 53 THR HG2% 1.0 1.8 5.0 624 569 A 53 THR HG2% A 56 GLN H 1.0 1.8 5.0 625 570 A 53 THR HG2% A 55 GLY H 1.0 1.8 5.0 626 571 A 69 GLY H A 70 ARG HGx 1.0 1.8 5.0 627 571 A 69 GLY H A 70 ARG HGy 1.0 1.8 5.0 628 572 A 70 ARG HDy A 40 VAL HGy% 1.0 1.8 5.0 629 572 A 40 VAL HGy% A 70 ARG HDx 1.0 1.8 5.0 630 573 A 70 ARG HDy A 40 VAL HGx% 1.0 1.8 5.0 631 573 A 40 VAL HGx% A 70 ARG HDx 1.0 1.8 5.0 632 574 A 13 PHE HEx A 28 VAL HGx% 1.0 1.8 5.0 633 575 A 13 PHE HZ A 28 VAL HGx% 1.0 1.8 5.0 634 576 A 5 VAL HB A 28 VAL HGx% 1.0 1.8 5.0 635 577 A 5 VAL HB A 28 VAL HGy% 1.0 1.8 5.0 636 578 A 13 PHE HEx A 28 VAL HGy% 1.0 1.8 5.0 637 579 A 13 PHE HZ A 28 VAL HGy% 1.0 1.8 5.0 638 580 A 28 VAL H A 28 VAL HGy% 1.0 1.8 5.0 639 581 A 48 LEU HG A 43 LEU HBy 1.0 1.8 5.0 640 582 A 43 LEU HBx A 48 LEU HDx% 1.0 1.8 5.0 641 583 A 46 ALA HB% A 48 LEU HDx% 1.0 1.8 6.0 642 584 A 43 LEU HBy A 48 LEU HDx% 1.0 1.8 5.0 643 585 A 57 CYS HBy A 48 LEU HDy% 1.0 1.8 5.0 644 586 A 48 LEU HDy% A 57 CYS HBx 1.0 1.8 5.0 645 587 A 43 LEU HBx A 48 LEU HDy% 1.0 1.8 5.0 646 588 A 43 LEU HBy A 48 LEU HDy% 1.0 1.8 5.0 647 589 A 42 LEU HBy A 66 GLU HBx 1.0 1.8 5.0 648 590 A 42 LEU HBy A 66 GLU HBy 1.0 1.8 5.0 649 591 A 49 GLU HA A 50 ASP HA 1.0 1.8 5.0 650 592 A 49 GLU HA A 50 ASP HBx 1.0 1.8 5.0 651 592 A 49 GLU HA A 50 ASP HBy 1.0 1.8 5.0 652 593 A 49 GLU HA A 51 GLU HGx 1.0 1.8 5.0 653 593 A 49 GLU HA A 51 GLU HGy 1.0 1.8 5.0 654 594 A 51 GLU HGy A 49 GLU HBy 1.0 1.8 5.0 655 594 A 49 GLU HBy A 51 GLU HGx 1.0 1.8 5.0 656 595 A 51 GLU HGy A 49 GLU HBx 1.0 1.8 5.0 657 595 A 49 GLU HBx A 51 GLU HGx 1.0 1.8 5.0 658 596 A 70 ARG H A 71 MET HA 1.0 1.8 5.0 659 597 A 3 LEU HBy A 63 THR HA 1.0 1.8 5.0 660 598 A 60 GLU H A 63 THR HG2% 1.0 1.8 5.0 661 599 A 42 LEU HBx A 68 ALA HB% 1.0 1.8 5.0 662 600 A 59 VAL HB A 63 THR HG2% 1.0 1.8 6.0 663 601 A 63 THR HG2% A 65 LEU HBy 1.0 1.8 6.0 664 602 A 68 ALA HB% A 70 ARG HGx 1.0 1.8 5.0 665 602 A 68 ALA HB% A 70 ARG HGy 1.0 1.8 5.0 666 603 A 9 GLU HA A 8 GLN HA 1.0 1.8 5.0 667 604 A 3 LEU HA A 4 PHE HA 1.0 1.8 5.0 668 605 A 24 ILE HG2% A 25 LYS HA 1.0 1.8 5.0 669 606 A 22 ALA HA A 25 LYS HBx 1.0 1.8 5.0 670 606 A 25 LYS HBy A 22 ALA HA 1.0 1.8 5.0 671 607 A 36 PRO HA A 25 LYS HBx 1.0 1.8 5.0 672 607 A 25 LYS HBy A 36 PRO HA 1.0 1.8 5.0 673 608 A 24 ILE HA A 27 HIS HBx 1.0 1.8 5.0 674 608 A 27 HIS HBy A 24 ILE HA 1.0 1.8 5.0 675 609 A 50 ASP HA A 22 ALA HA 1.0 1.8 5.0 676 610 A 21 VAL HGx% A 22 ALA HB% 1.0 1.8 5.0 677 611 A 22 ALA HB% A 50 ASP HBx 1.0 1.8 3.5 678 611 A 22 ALA HB% A 50 ASP HBy 1.0 1.8 3.5 679 612 A 22 ALA HB% A 23 GLN HA 1.0 1.8 5.0 680 613 A 22 ALA HB% A 50 ASP HA 1.0 1.8 5.0 681 614 A 22 ALA HB% A 26 ALA H 1.0 1.8 5.0 682 615 A 26 ALA HB% A 36 PRO HBy 1.0 1.8 5.0 683 616 A 26 ALA HB% A 36 PRO HBx 1.0 1.8 5.0 684 617 A 26 ALA HB% A 36 PRO HGx 1.0 1.8 5.0 685 618 A 72 LEU HA A 73 GLY HAx 1.0 1.8 5.0 686 618 A 72 LEU HA A 73 GLY HAy 1.0 1.8 5.0 687 619 A 22 ALA HB% A 23 GLN HBx 1.0 1.8 5.0 688 620 A 29 ALA HB% A 30 SER HA 1.0 1.8 5.0 689 621 A 27 HIS HA A 30 SER HBx 1.0 1.8 3.5 690 621 A 30 SER HBy A 27 HIS HA 1.0 1.8 3.5 691 622 A 32 GLU H A 30 SER HBx 1.0 1.8 6.0 692 622 A 30 SER HBy A 32 GLU H 1.0 1.8 6.0 693 623 A 51 GLU H A 51 GLU HBx 1.0 1.8 5.0 694 624 A 54 LEU HA A 55 GLY HAx 1.0 1.8 5.0 695 624 A 54 LEU HA A 55 GLY HAy 1.0 1.8 5.0 696 625 A 34 ILE H A 34 ILE HD1% 1.0 1.8 5.0 697 626 A 2 GLN HA A 14 GLU HA 1.0 1.8 5.0 698 627 A 12 THR HG2% A 2 GLN HGx 1.0 1.8 5.0 699 628 A 40 VAL HB A 71 MET HE% 1.0 1.8 5.0 700 629 A 61 ALA HB% A 1 MET HBx 1.0 1.8 5.0 701 629 A 1 MET HBy A 61 ALA HB% 1.0 1.8 5.0 702 630 A 12 THR HG2% A 2 GLN HGy 1.0 1.8 5.0 703 631 A 12 THR HG2% A 4 PHE HEx 1.0 1.8 5.0 704 632 A 12 THR HG2% A 4 PHE HDx 1.0 1.8 5.0 705 633 A 3 LEU H A 12 THR HG2% 1.0 1.8 5.0 706 634 A 35 ALA HB% A 36 PRO HDx 1.0 1.8 6.0 707 635 A 42 LEU HBy A 42 LEU HDx% 1.0 1.8 3.5 708 636 A 42 LEU H A 42 LEU HDy% 1.0 1.8 5.0 709 637 A 4 PHE HBy A 64 THR HA 1.0 1.8 5.0 710 638 A 64 THR HA A 65 LEU HBy 1.0 1.8 5.0 711 639 A 63 THR HA A 64 THR HB 1.0 1.8 6.0 712 640 A 64 THR HG2% A 6 ARG HGx 1.0 1.8 5.0 713 640 A 6 ARG HGy A 64 THR HG2% 1.0 1.8 5.0 714 641 A 64 THR HG2% A 6 ARG HBy 1.0 1.8 5.0 715 642 A 64 THR HG2% A 6 ARG HBx 1.0 1.8 5.0 716 643 A 4 PHE HA A 64 THR HG2% 1.0 1.8 6.0 717 644 A 4 PHE H A 64 THR HG2% 1.0 1.8 5.0 718 645 A 7 ALA HB% A 67 VAL HB 1.0 1.8 5.0 719 646 A 7 ALA HB% A 67 VAL HGx% 1.0 1.8 5.0 720 647 A 24 ILE HG2% A 41 VAL HGx% 1.0 1.8 3.5 721 648 A 67 VAL HB A 7 ALA HA 1.0 1.8 5.0 722 649 A 5 VAL HB A 7 ALA HB% 1.0 1.8 5.0 723 650 A 7 ALA HB% A 28 VAL HGx% 1.0 1.8 5.0 724 651 A 7 ALA HB% A 67 VAL HGy% 1.0 1.8 5.0 725 652 A 7 ALA HB% A 28 VAL HGy% 1.0 1.8 5.0 726 653 A 59 VAL HB A 43 LEU HDy% 1.0 1.8 5.0 727 654 A 43 LEU HBy A 43 LEU HDy% 1.0 1.8 5.0 728 655 A 30 SER HA A 31 LEU HA 1.0 1.8 5.0 729 656 A 3 LEU HA A 4 PHE HDy 1.0 1.8 5.0 730 657 A 3 LEU H A 3 LEU HDx% 1.0 1.8 5.0 731 658 A 3 LEU HBx A 3 LEU HDx% 1.0 1.8 3.5 732 659 A 3 LEU H A 3 LEU HDy% 1.0 1.8 5.0 733 660 A 3 LEU HBx A 3 LEU HDy% 1.0 1.8 3.5 734 661 A 1 MET HA A 1 MET HE% 1.0 1.8 6.0 735 662 A 15 VAL HA A 1 MET HBx 1.0 1.8 5.0 736 662 A 1 MET HBy A 15 VAL HA 1.0 1.8 5.0 737 663 A 40 VAL HB A 25 LYS HDx 1.0 1.8 6.0 738 663 A 25 LYS HDy A 40 VAL HB 1.0 1.8 6.0 739 664 A 1 MET H A 1 MET HGy 1.0 1.8 5.0 740 665 A 35 ALA HA A 36 PRO HDy 1.0 1.8 5.0 741 666 A 35 ALA HA A 36 PRO HDx 1.0 1.8 5.0 742 667 A 46 ALA HA A 47 PRO HDy 1.0 1.8 3.5 743 668 A 46 ALA HA A 47 PRO HDx 1.0 1.8 3.5 744 669 A 46 ALA HB% A 48 LEU HDy% 1.0 1.8 6.0 745 670 A 46 ALA HB% A 47 PRO HDy 1.0 1.8 5.0 746 671 A 46 ALA HB% A 47 PRO HDx 1.0 1.8 5.0 747 672 A 43 LEU H A 46 ALA HB% 1.0 1.8 5.0 748 673 A 1 MET HE% A 1 MET HGx 1.0 1.8 5.0 749 674 A 1 MET HE% A 1 MET HGy 1.0 1.8 5.0 750 675 A 1 MET HE% A 59 VAL HGy% 1.0 1.8 5.0 751 676 A 1 MET HE% A 60 GLU HA 1.0 1.8 5.0 752 677 A 1 MET HE% A 16 THR HA 1.0 1.8 6.0 753 678 A 1 MET HE% A 1 MET H 1.0 1.8 6.0 754 679 A 1 MET HE% A 62 LEU H 1.0 1.8 6.0 755 680 A 71 MET H A 71 MET HE% 1.0 1.8 5.0 756 681 A 32 GLU H A 32 GLU HGx 1.0 1.8 5.0 757 682 A 19 GLU HA A 19 GLU HGx 1.0 1.8 3.5 758 682 A 19 GLU HA A 19 GLU HGy 1.0 1.8 3.5 759 683 A 20 THR H A 19 GLU HBy 1.0 1.8 5.0 760 684 A 21 VAL HB A 50 ASP HA 1.0 1.8 3.5 761 685 A 55 GLY H A 54 LEU HDx% 1.0 1.8 6.0 762 686 A 29 ALA HB% A 36 PRO HA 1.0 1.8 3.5 763 687 A 16 THR HA A 16 THR HG2% 1.0 1.8 5.0 764 688 A 15 VAL HA A 15 VAL HGx% 1.0 1.8 5.0 765 689 A 15 VAL HA A 15 VAL HGy% 1.0 1.8 5.0 766 690 A 56 GLN HA A 56 GLN HGx 1.0 1.8 5.0 767 690 A 56 GLN HGy A 56 GLN HA 1.0 1.8 5.0 768 691 A 37 GLU HA A 37 GLU HGx 1.0 1.8 3.5 769 691 A 37 GLU HGy A 37 GLU HA 1.0 1.8 3.5 770 692 A 62 LEU HA A 62 LEU HDx% 1.0 1.8 5.0 771 693 A 62 LEU HA A 62 LEU HDy% 1.0 1.8 5.0 772 694 A 61 ALA HB% A 62 LEU HA 1.0 1.8 5.0 773 695 A 8 GLN HA A 8 GLN HGx 1.0 1.8 5.0 774 696 A 8 GLN HA A 8 GLN HGy 1.0 1.8 5.0 775 697 A 26 ALA HA A 36 PRO HBx 1.0 1.8 5.0 776 698 A 26 ALA HA A 36 PRO HGx 1.0 1.8 5.0 777 699 A 37 GLU H A 36 PRO HGx 1.0 1.8 5.0 778 700 A 18 GLN HA A 18 GLN HGx 1.0 1.8 5.0 779 700 A 18 GLN HGy A 18 GLN HA 1.0 1.8 5.0 780 701 A 21 VAL HGx% A 21 VAL HA 1.0 1.8 3.5 781 702 A 21 VAL HGy% A 21 VAL HA 1.0 1.8 3.5 782 703 A 65 LEU HA A 65 LEU HDx% 1.0 1.8 5.0 783 704 A 65 LEU HA A 65 LEU HDy% 1.0 1.8 5.0 784 705 A 65 LEU HBx A 65 LEU HDx% 1.0 1.8 5.0 785 706 A 65 LEU HBx A 65 LEU HDy% 1.0 1.8 5.0 786 707 A 65 LEU HBy A 65 LEU HDx% 1.0 1.8 3.5 787 708 A 65 LEU HBy A 65 LEU HDy% 1.0 1.8 3.5 788 709 A 24 ILE HD1% A 24 ILE HA 1.0 1.8 5.0 789 710 A 24 ILE HG2% A 24 ILE HA 1.0 1.8 5.0 790 711 A 24 ILE HG2% A 24 ILE HD1% 1.0 1.8 3.5 791 712 A 24 ILE HG2% A 24 ILE HG1x 1.0 1.8 5.0 792 713 A 24 ILE HG2% A 24 ILE HG1y 1.0 1.8 5.0 793 714 A 20 THR HG2% A 20 THR HA 1.0 1.8 3.5 794 715 A 20 THR HG2% A 53 THR HA 1.0 1.8 5.0 795 716 A 54 LEU H A 53 THR HG2% 1.0 1.8 5.0 796 717 A 70 ARG HDy A 70 ARG HBx 1.0 1.8 5.0 797 717 A 70 ARG HBx A 70 ARG HDx 1.0 1.8 5.0 798 718 A 70 ARG HDy A 70 ARG HBy 1.0 1.8 5.0 799 718 A 70 ARG HBy A 70 ARG HDx 1.0 1.8 5.0 800 719 A 70 ARG HA A 70 ARG HDx 1.0 1.8 5.0 801 719 A 70 ARG HDy A 70 ARG HA 1.0 1.8 5.0 802 720 A 70 ARG HA A 70 ARG HGx 1.0 1.8 5.0 803 720 A 70 ARG HGy A 70 ARG HA 1.0 1.8 5.0 804 721 A 40 VAL HA A 41 VAL HB 1.0 1.8 5.0 805 722 A 28 VAL HA A 28 VAL HGx% 1.0 1.8 5.0 806 723 A 28 VAL HA A 28 VAL HGy% 1.0 1.8 5.0 807 724 A 29 ALA H A 28 VAL HGx% 1.0 1.8 5.0 808 725 A 35 ALA HA A 37 GLU HGx 1.0 1.8 5.0 809 725 A 37 GLU HGy A 35 ALA HA 1.0 1.8 5.0 810 726 A 48 LEU HA A 48 LEU HDx% 1.0 1.8 5.0 811 727 A 48 LEU HA A 48 LEU HDy% 1.0 1.8 5.0 812 728 A 48 LEU HBx A 48 LEU HDx% 1.0 1.8 5.0 813 729 A 48 LEU HBx A 48 LEU HDy% 1.0 1.8 5.0 814 730 A 48 LEU HBy A 48 LEU HDx% 1.0 1.8 5.0 815 731 A 48 LEU HBy A 48 LEU HDy% 1.0 1.8 5.0 816 732 A 21 VAL HGy% A 48 LEU HA 1.0 1.8 5.0 817 733 A 21 VAL HGy% A 48 LEU HBy 1.0 1.8 5.0 818 734 A 66 GLU HGx A 66 GLU HA 1.0 1.8 5.0 819 735 A 67 VAL H A 66 GLU HBy 1.0 1.8 5.0 820 736 A 67 VAL H A 66 GLU HGx 1.0 1.8 5.0 821 737 A 20 THR HG2% A 21 VAL H 1.0 1.8 5.0 822 738 A 51 GLU H A 49 GLU HGx 1.0 1.8 6.0 823 738 A 49 GLU HGy A 51 GLU H 1.0 1.8 6.0 824 739 A 63 THR HG2% A 63 THR HA 1.0 1.8 3.5 825 740 A 25 LYS HBy A 25 LYS HEx 1.0 1.8 5.0 826 740 A 25 LYS HBx A 25 LYS HEx 1.0 1.8 5.0 827 740 A 25 LYS HEy A 25 LYS HBx 1.0 1.8 5.0 828 740 A 25 LYS HBy A 25 LYS HEy 1.0 1.8 5.0 829 741 A 25 LYS HBx A 25 LYS HDx 1.0 1.8 5.0 830 741 A 25 LYS HBy A 25 LYS HDx 1.0 1.8 5.0 831 741 A 25 LYS HDy A 25 LYS HBx 1.0 1.8 5.0 832 741 A 25 LYS HBy A 25 LYS HDy 1.0 1.8 5.0 833 742 A 25 LYS HA A 25 LYS HEx 1.0 1.8 6.0 834 742 A 25 LYS HEy A 25 LYS HA 1.0 1.8 6.0 835 743 A 26 ALA HB% A 23 GLN HA 1.0 1.8 3.5 836 744 A 23 GLN HA A 23 GLN HGy 1.0 1.8 5.0 837 745 A 23 GLN HA A 23 GLN HGx 1.0 1.8 5.0 838 746 A 51 GLU HA A 51 GLU HGx 1.0 1.8 5.0 839 746 A 51 GLU HGy A 51 GLU HA 1.0 1.8 5.0 840 747 A 52 ALA H A 51 GLU HGx 1.0 1.8 5.0 841 747 A 51 GLU HGy A 52 ALA H 1.0 1.8 5.0 842 748 A 59 VAL HA A 59 VAL HGx% 1.0 1.8 5.0 843 749 A 59 VAL HA A 59 VAL HGy% 1.0 1.8 5.0 844 750 A 1 MET HE% A 59 VAL HGx% 1.0 1.8 5.0 845 751 A 59 VAL HB A 43 LEU HDx% 1.0 1.8 5.0 846 752 A 6 ARG HA A 6 ARG HDx 1.0 1.8 5.0 847 752 A 6 ARG HA A 6 ARG HDy 1.0 1.8 5.0 848 753 A 7 ALA H A 6 ARG HGx 1.0 1.8 5.0 849 753 A 6 ARG HGy A 7 ALA H 1.0 1.8 5.0 850 754 A 34 ILE HG2% A 34 ILE HA 1.0 1.8 5.0 851 755 A 34 ILE HB A 34 ILE HD1% 1.0 1.8 5.0 852 756 A 34 ILE HA A 34 ILE HD1% 1.0 1.8 5.0 853 757 A 34 ILE HG2% A 34 ILE HG1x 1.0 1.8 5.0 854 758 A 34 ILE HG2% A 34 ILE HG1y 1.0 1.8 5.0 855 759 A 34 ILE HG2% A 34 ILE HD1% 1.0 1.8 2.7 856 760 A 41 VAL H A 40 VAL HGy% 1.0 1.8 5.0 857 761 A 12 THR HG2% A 12 THR HA 1.0 1.8 5.0 858 762 A 42 LEU HBy A 42 LEU HDy% 1.0 1.8 3.5 859 763 A 42 LEU HBx A 42 LEU HDx% 1.0 1.8 5.0 860 764 A 42 LEU HBx A 42 LEU HDy% 1.0 1.8 5.0 861 765 A 64 THR HG2% A 64 THR HA 1.0 1.8 5.0 862 766 A 10 LEU HA A 10 LEU HDx% 1.0 1.8 5.0 863 767 A 10 LEU HA A 10 LEU HDy% 1.0 1.8 5.0 864 768 A 10 LEU HDx% A 10 LEU HBx 1.0 1.8 5.0 865 769 A 10 LEU HBx A 10 LEU HDy% 1.0 1.8 5.0 866 770 A 10 LEU HDx% A 10 LEU HBy 1.0 1.8 5.0 867 771 A 10 LEU HBy A 10 LEU HDy% 1.0 1.8 5.0 868 772 A 67 VAL HA A 67 VAL HGx% 1.0 1.8 5.0 869 773 A 67 VAL HA A 67 VAL HGy% 1.0 1.8 5.0 870 774 A 41 VAL HA A 41 VAL HGx% 1.0 1.8 3.5 871 775 A 41 VAL HA A 41 VAL HGy% 1.0 1.8 3.5 872 776 A 21 VAL HGx% A 41 VAL HB 1.0 1.8 5.0 873 777 A 43 LEU HA A 43 LEU HDx% 1.0 1.8 5.0 874 778 A 43 LEU HA A 43 LEU HDy% 1.0 1.8 5.0 875 779 A 43 LEU HBy A 43 LEU HDx% 1.0 1.8 5.0 876 780 A 43 LEU HBx A 43 LEU HDx% 1.0 1.8 5.0 877 781 A 43 LEU HBx A 43 LEU HDy% 1.0 1.8 5.0 878 782 A 31 LEU HBx A 31 LEU HDx% 1.0 1.8 5.0 879 783 A 31 LEU HBx A 31 LEU HDy% 1.0 1.8 5.0 880 784 A 31 LEU HBy A 31 LEU HDx% 1.0 1.8 5.0 881 785 A 31 LEU HBy A 31 LEU HDy% 1.0 1.8 5.0 882 786 A 31 LEU HA A 31 LEU HDx% 1.0 1.8 5.0 883 787 A 31 LEU HA A 31 LEU HDy% 1.0 1.8 5.0 884 788 A 31 LEU HG A 31 LEU HA 1.0 1.8 5.0 885 789 A 21 VAL HGx% A 23 GLN H 1.0 1.8 6.0 886 790 A 72 LEU HA A 72 LEU HDx% 1.0 1.8 5.0 887 791 A 72 LEU HA A 72 LEU HDy% 1.0 1.8 5.0 888 792 A 3 LEU HA A 3 LEU HDy% 1.0 1.8 5.0 889 793 A 3 LEU HBy A 3 LEU HDx% 1.0 1.8 5.0 890 794 A 3 LEU HBy A 3 LEU HDy% 1.0 1.8 5.0 891 795 A 3 LEU HA A 3 LEU HDx% 1.0 1.8 5.0 892 796 A 72 LEU HDx% A 72 LEU HBx 1.0 1.8 3.5 893 797 A 72 LEU HBx A 72 LEU HDy% 1.0 1.8 3.5 894 798 A 72 LEU HBy A 72 LEU HDx% 1.0 1.8 3.5 895 799 A 72 LEU HBy A 72 LEU HDy% 1.0 1.8 3.5 896 800 A 73 GLY H A 72 LEU HDx% 1.0 1.8 5.0 897 801 A 73 GLY H A 72 LEU HDy% 1.0 1.8 5.0 898 802 A 4 PHE HA A 12 THR HG2% 1.0 1.8 5.0 899 803 A 22 ALA HB% A 25 LYS HBx 1.0 1.8 6.0 900 803 A 22 ALA HB% A 25 LYS HBy 1.0 1.8 6.0 901 804 A 29 ALA HB% A 25 LYS HBx 1.0 1.8 6.0 902 804 A 25 LYS HBy A 29 ALA HB% 1.0 1.8 6.0 903 805 A 29 ALA HA A 34 ILE HG2% 1.0 1.8 5.0 904 806 A 29 ALA HA A 34 ILE HD1% 1.0 1.8 5.0 905 807 A 29 ALA HB% A 34 ILE HD1% 1.0 1.8 5.0 906 808 A 31 LEU HBy A 28 VAL HA 1.0 1.8 5.0 907 809 A 59 VAL HA A 63 THR HG2% 1.0 1.8 5.0 908 810 A 26 ALA HB% A 27 HIS HA 1.0 1.8 5.0 909 811 A 26 ALA H A 23 GLN HA 1.0 1.8 5.0 910 812 A 20 THR HG2% A 51 GLU HA 1.0 1.8 5.0 911 813 A 52 ALA HB% A 51 GLU HA 1.0 1.8 5.0 912 814 A 59 VAL HB A 60 GLU H 1.0 1.8 5.0 913 815 A 7 ALA HA A 6 ARG HGx 1.0 1.8 5.0 914 815 A 6 ARG HGy A 7 ALA HA 1.0 1.8 5.0 915 816 A 63 THR HB A 64 THR HA 1.0 1.8 6.0 916 817 A 41 VAL H A 40 VAL HB 1.0 1.8 5.0 917 818 A 5 VAL H A 12 THR HA 1.0 1.8 5.0 918 819 A 67 VAL H A 7 ALA HA 1.0 1.8 5.0 919 820 A 1 MET HE% A 54 LEU HDx% 1.0 1.8 5.0 920 821 A 3 LEU HBx A 1 MET HE% 1.0 1.8 5.0 921 822 A 1 MET H A 1 MET HGx 1.0 1.8 5.0 922 822 A 1 MET H A 1 MET HGy 1.0 1.8 5.0 923 823 A 1 MET H A 15 VAL HGx% 1.0 1.8 5.0 924 823 A 1 MET H A 15 VAL HGy% 1.0 1.8 5.0 925 824 A 1 MET HA A 2 GLN HBx 1.0 1.8 6.0 926 824 A 1 MET HA A 2 GLN HBy 1.0 1.8 6.0 927 825 A 1 MET HBy A 15 VAL HGx% 1.0 1.8 5.0 928 825 A 1 MET HBx A 15 VAL HGx% 1.0 1.8 5.0 929 825 A 15 VAL HGy% A 1 MET HBx 1.0 1.8 5.0 930 825 A 1 MET HBy A 15 VAL HGy% 1.0 1.8 5.0 931 826 A 1 MET HE% A 1 MET HGx 1.0 1.8 3.5 932 826 A 1 MET HE% A 1 MET HGy 1.0 1.8 3.5 933 827 A 2 GLN H A 1 MET HGx 1.0 1.8 5.0 934 827 A 2 GLN H A 1 MET HGy 1.0 1.8 5.0 935 828 A 15 VAL H A 1 MET HGx 1.0 1.8 5.0 936 828 A 15 VAL H A 1 MET HGy 1.0 1.8 5.0 937 829 A 1 MET HGy A 15 VAL HGx% 1.0 1.8 5.0 938 829 A 1 MET HGx A 15 VAL HGx% 1.0 1.8 5.0 939 829 A 15 VAL HGy% A 1 MET HGx 1.0 1.8 5.0 940 829 A 1 MET HGy A 15 VAL HGy% 1.0 1.8 5.0 941 830 A 62 LEU H A 1 MET HGx 1.0 1.8 6.0 942 830 A 62 LEU H A 1 MET HGy 1.0 1.8 6.0 943 831 A 1 MET HE% A 3 LEU HDy% 1.0 1.8 5.0 944 831 A 1 MET HE% A 3 LEU HDx% 1.0 1.8 5.0 945 832 A 1 MET HE% A 15 VAL HGx% 1.0 1.8 3.5 946 832 A 1 MET HE% A 15 VAL HGy% 1.0 1.8 3.5 947 833 A 1 MET HE% A 17 GLY HAy 1.0 1.8 5.0 948 833 A 1 MET HE% A 17 GLY HAx 1.0 1.8 5.0 949 834 A 1 MET HE% A 54 LEU HBx 1.0 1.8 5.0 950 834 A 1 MET HE% A 54 LEU HBy 1.0 1.8 5.0 951 835 A 1 MET HE% A 54 LEU HDy% 1.0 1.8 3.5 952 835 A 1 MET HE% A 54 LEU HDx% 1.0 1.8 3.5 953 836 A 1 MET HE% A 59 VAL HGx% 1.0 1.8 3.5 954 836 A 1 MET HE% A 59 VAL HGy% 1.0 1.8 3.5 955 837 A 2 GLN H A 2 GLN HBx 1.0 1.8 3.5 956 837 A 2 GLN H A 2 GLN HBy 1.0 1.8 3.5 957 838 A 2 GLN H A 2 GLN HGx 1.0 1.8 5.0 958 838 A 2 GLN H A 2 GLN HGy 1.0 1.8 5.0 959 839 A 2 GLN HA A 15 VAL HGx% 1.0 1.8 5.0 960 839 A 2 GLN HA A 15 VAL HGy% 1.0 1.8 5.0 961 840 A 3 LEU H A 2 GLN HBx 1.0 1.8 5.0 962 840 A 3 LEU H A 2 GLN HBy 1.0 1.8 5.0 963 841 A 62 LEU H A 2 GLN HBx 1.0 1.8 5.0 964 841 A 62 LEU H A 2 GLN HBy 1.0 1.8 5.0 965 842 A 2 GLN HBy A 62 LEU HDy% 1.0 1.8 3.5 966 842 A 2 GLN HBx A 62 LEU HDy% 1.0 1.8 3.5 967 842 A 62 LEU HDx% A 2 GLN HBx 1.0 1.8 3.5 968 842 A 2 GLN HBy A 62 LEU HDx% 1.0 1.8 3.5 969 843 A 2 GLN HE2x A 2 GLN HGy 1.0 1.8 3.5 970 843 A 2 GLN HE2y A 2 GLN HGy 1.0 1.8 3.5 971 843 A 2 GLN HE2y A 2 GLN HGx 1.0 1.8 3.5 972 843 A 2 GLN HE2x A 2 GLN HGx 1.0 1.8 3.5 973 844 A 2 GLN HGx A 62 LEU HDy% 1.0 1.8 5.0 974 844 A 62 LEU HDx% A 2 GLN HGx 1.0 1.8 5.0 975 844 A 2 GLN HGy A 62 LEU HDx% 1.0 1.8 5.0 976 844 A 2 GLN HGy A 62 LEU HDy% 1.0 1.8 5.0 977 845 A 12 THR HG2% A 2 GLN HE2x 1.0 1.8 5.0 978 845 A 12 THR HG2% A 2 GLN HE2y 1.0 1.8 5.0 979 846 A 3 LEU HA A 3 LEU HDy% 1.0 1.8 3.5 980 846 A 3 LEU HA A 3 LEU HDx% 1.0 1.8 3.5 981 847 A 3 LEU HBy A 59 VAL HGx% 1.0 1.8 5.0 982 847 A 3 LEU HBy A 59 VAL HGy% 1.0 1.8 5.0 983 848 A 3 LEU HBx A 15 VAL HGx% 1.0 1.8 5.0 984 848 A 3 LEU HBx A 15 VAL HGy% 1.0 1.8 5.0 985 849 A 4 PHE H A 3 LEU HDy% 1.0 1.8 3.5 986 849 A 4 PHE H A 3 LEU HDx% 1.0 1.8 3.5 987 850 A 4 PHE HA A 3 LEU HDy% 1.0 1.8 5.0 988 850 A 4 PHE HA A 3 LEU HDx% 1.0 1.8 5.0 989 851 A 5 VAL H A 3 LEU HDy% 1.0 1.8 5.0 990 851 A 5 VAL H A 3 LEU HDx% 1.0 1.8 5.0 991 852 A 3 LEU HDx% A 15 VAL HGx% 1.0 1.8 3.5 992 852 A 3 LEU HDy% A 15 VAL HGx% 1.0 1.8 3.5 993 852 A 15 VAL HGy% A 3 LEU HDy% 1.0 1.8 3.5 994 852 A 15 VAL HGy% A 3 LEU HDx% 1.0 1.8 3.5 995 853 A 3 LEU HDy% A 54 LEU HDy% 1.0 1.8 3.5 996 853 A 3 LEU HDx% A 54 LEU HDy% 1.0 1.8 3.5 997 853 A 54 LEU HDx% A 3 LEU HDy% 1.0 1.8 3.5 998 853 A 3 LEU HDx% A 54 LEU HDx% 1.0 1.8 3.5 999 854 A 3 LEU HDx% A 59 VAL HGx% 1.0 1.8 5.0 1000 854 A 3 LEU HDy% A 59 VAL HGx% 1.0 1.8 5.0 1001 854 A 59 VAL HGy% A 3 LEU HDy% 1.0 1.8 5.0 1002 854 A 3 LEU HDx% A 59 VAL HGy% 1.0 1.8 5.0 1003 855 A 63 THR H A 3 LEU HDy% 1.0 1.8 5.0 1004 855 A 63 THR H A 3 LEU HDx% 1.0 1.8 5.0 1005 856 A 63 THR HB A 3 LEU HDy% 1.0 1.8 5.0 1006 856 A 63 THR HB A 3 LEU HDx% 1.0 1.8 5.0 1007 857 A 63 THR HG2% A 3 LEU HDy% 1.0 1.8 5.0 1008 857 A 63 THR HG2% A 3 LEU HDx% 1.0 1.8 5.0 1009 858 A 64 THR H A 3 LEU HDy% 1.0 1.8 5.0 1010 858 A 64 THR H A 3 LEU HDx% 1.0 1.8 5.0 1011 859 A 64 THR HA A 3 LEU HDy% 1.0 1.8 5.0 1012 859 A 64 THR HA A 3 LEU HDx% 1.0 1.8 5.0 1013 860 A 65 LEU H A 3 LEU HDy% 1.0 1.8 5.0 1014 860 A 65 LEU H A 3 LEU HDx% 1.0 1.8 5.0 1015 861 A 65 LEU HBy A 3 LEU HDy% 1.0 1.8 5.0 1016 861 A 65 LEU HBy A 3 LEU HDx% 1.0 1.8 5.0 1017 862 A 3 LEU HDy% A 65 LEU HDy% 1.0 1.8 3.5 1018 862 A 3 LEU HDx% A 65 LEU HDy% 1.0 1.8 3.5 1019 862 A 65 LEU HDx% A 3 LEU HDy% 1.0 1.8 3.5 1020 862 A 3 LEU HDx% A 65 LEU HDx% 1.0 1.8 3.5 1021 863 A 4 PHE HA A 5 VAL HGx% 1.0 1.8 6.0 1022 863 A 4 PHE HA A 5 VAL HG21 1.0 1.8 6.0 1023 864 A 4 PHE HA A 10 LEU HDy% 1.0 1.8 6.0 1024 864 A 4 PHE HA A 10 LEU HDx% 1.0 1.8 6.0 1025 865 A 4 PHE HA A 13 PHE HBy 1.0 1.8 6.0 1026 865 A 4 PHE HA A 13 PHE HBx 1.0 1.8 6.0 1027 866 A 4 PHE HBx A 10 LEU HDy% 1.0 1.8 5.0 1028 866 A 4 PHE HBx A 10 LEU HDx% 1.0 1.8 5.0 1029 867 A 4 PHE HEy A 62 LEU HDy% 1.0 1.8 5.0 1030 867 A 4 PHE HEy A 62 LEU HDx% 1.0 1.8 5.0 1031 868 A 4 PHE HDy A 62 LEU HDy% 1.0 1.8 5.0 1032 868 A 4 PHE HDy A 62 LEU HDx% 1.0 1.8 5.0 1033 869 A 5 VAL HB A 28 VAL HGx% 1.0 1.8 5.0 1034 869 A 5 VAL HB A 28 VAL HGy% 1.0 1.8 5.0 1035 870 A 6 ARG H A 5 VAL HGx% 1.0 1.8 5.0 1036 870 A 6 ARG H A 5 VAL HG21 1.0 1.8 5.0 1037 871 A 13 PHE HEx A 5 VAL HGx% 1.0 1.8 5.0 1038 871 A 13 PHE HEx A 5 VAL HG21 1.0 1.8 5.0 1039 872 A 24 ILE HG2% A 5 VAL HGx% 1.0 1.8 5.0 1040 872 A 24 ILE HG2% A 5 VAL HG21 1.0 1.8 5.0 1041 873 A 28 VAL HB A 5 VAL HGx% 1.0 1.8 6.0 1042 873 A 28 VAL HB A 5 VAL HG21 1.0 1.8 6.0 1043 874 A 5 VAL HG21 A 28 VAL HGx% 1.0 1.8 3.5 1044 874 A 5 VAL HGx% A 28 VAL HGx% 1.0 1.8 3.5 1045 874 A 28 VAL HGy% A 5 VAL HGx% 1.0 1.8 3.5 1046 874 A 5 VAL HG21 A 28 VAL HGy% 1.0 1.8 3.5 1047 875 A 5 VAL HGx% A 41 VAL HGx% 1.0 1.8 3.5 1048 875 A 5 VAL HG21 A 41 VAL HGx% 1.0 1.8 3.5 1049 875 A 41 VAL HGy% A 5 VAL HGx% 1.0 1.8 3.5 1050 875 A 5 VAL HG21 A 41 VAL HGy% 1.0 1.8 3.5 1051 876 A 65 LEU HBy A 5 VAL HGx% 1.0 1.8 5.0 1052 876 A 65 LEU HBy A 5 VAL HG21 1.0 1.8 5.0 1053 877 A 65 LEU HBx A 5 VAL HGx% 1.0 1.8 5.0 1054 877 A 65 LEU HBx A 5 VAL HG21 1.0 1.8 5.0 1055 878 A 66 GLU H A 5 VAL HGx% 1.0 1.8 5.0 1056 878 A 66 GLU H A 5 VAL HG21 1.0 1.8 5.0 1057 879 A 66 GLU HA A 5 VAL HGx% 1.0 1.8 5.0 1058 879 A 66 GLU HA A 5 VAL HG21 1.0 1.8 5.0 1059 880 A 67 VAL H A 5 VAL HGx% 1.0 1.8 5.0 1060 880 A 67 VAL H A 5 VAL HG21 1.0 1.8 5.0 1061 881 A 5 VAL HGx% A 67 VAL HGx% 1.0 1.8 5.0 1062 881 A 5 VAL HG21 A 67 VAL HGx% 1.0 1.8 5.0 1063 881 A 67 VAL HGy% A 5 VAL HGx% 1.0 1.8 5.0 1064 881 A 5 VAL HG21 A 67 VAL HGy% 1.0 1.8 5.0 1065 882 A 6 ARG H A 6 ARG HBx 1.0 1.8 5.0 1066 882 A 6 ARG H A 6 ARG HBy 1.0 1.8 5.0 1067 883 A 6 ARG HA A 10 LEU HDy% 1.0 1.8 5.0 1068 883 A 6 ARG HA A 10 LEU HDx% 1.0 1.8 5.0 1069 884 A 7 ALA H A 6 ARG HBx 1.0 1.8 5.0 1070 884 A 7 ALA H A 6 ARG HBy 1.0 1.8 5.0 1071 885 A 64 THR HG2% A 6 ARG HBx 1.0 1.8 5.0 1072 885 A 64 THR HG2% A 6 ARG HBy 1.0 1.8 5.0 1073 886 A 66 GLU HA A 6 ARG HBx 1.0 1.8 5.0 1074 886 A 66 GLU HA A 6 ARG HBy 1.0 1.8 5.0 1075 887 A 66 GLU HGx A 6 ARG HBx 1.0 1.8 5.0 1076 887 A 66 GLU HGx A 6 ARG HBy 1.0 1.8 5.0 1077 888 A 67 VAL H A 6 ARG HBx 1.0 1.8 5.0 1078 888 A 67 VAL H A 6 ARG HBy 1.0 1.8 5.0 1079 889 A 6 ARG HGx A 10 LEU HDy% 1.0 1.8 5.0 1080 889 A 6 ARG HGy A 10 LEU HDy% 1.0 1.8 5.0 1081 889 A 10 LEU HDx% A 6 ARG HGx 1.0 1.8 5.0 1082 889 A 6 ARG HGy A 10 LEU HDx% 1.0 1.8 5.0 1083 890 A 6 ARG HDx A 10 LEU HDy% 1.0 1.8 5.0 1084 890 A 6 ARG HDy A 10 LEU HDy% 1.0 1.8 5.0 1085 890 A 10 LEU HDx% A 6 ARG HDx 1.0 1.8 5.0 1086 890 A 6 ARG HDy A 10 LEU HDx% 1.0 1.8 5.0 1087 891 A 7 ALA H A 10 LEU HDy% 1.0 1.8 5.0 1088 891 A 7 ALA H A 10 LEU HDx% 1.0 1.8 5.0 1089 892 A 7 ALA H A 67 VAL HGx% 1.0 1.8 5.0 1090 892 A 7 ALA H A 67 VAL HGy% 1.0 1.8 5.0 1091 893 A 7 ALA HB% A 28 VAL HGx% 1.0 1.8 3.5 1092 893 A 7 ALA HB% A 28 VAL HGy% 1.0 1.8 3.5 1093 894 A 7 ALA HB% A 67 VAL HGx% 1.0 1.8 3.5 1094 894 A 7 ALA HB% A 67 VAL HGy% 1.0 1.8 3.5 1095 895 A 8 GLN H A 8 GLN HGx 1.0 1.8 3.5 1096 895 A 8 GLN H A 8 GLN HGy 1.0 1.8 3.5 1097 896 A 9 GLU H A 8 GLN HBy 1.0 1.8 3.5 1098 896 A 9 GLU H A 8 GLN HBx 1.0 1.8 3.5 1099 897 A 9 GLU H A 8 GLN HGx 1.0 1.8 5.0 1100 897 A 9 GLU H A 8 GLN HGy 1.0 1.8 5.0 1101 898 A 8 GLN HGy A 9 GLU HGx 1.0 1.8 5.0 1102 898 A 8 GLN HGx A 9 GLU HGx 1.0 1.8 5.0 1103 898 A 9 GLU HGy A 8 GLN HGx 1.0 1.8 5.0 1104 898 A 9 GLU HGy A 8 GLN HGy 1.0 1.8 5.0 1105 899 A 10 LEU H A 9 GLU HBy 1.0 1.8 3.5 1106 899 A 10 LEU H A 9 GLU HBx 1.0 1.8 3.5 1107 900 A 10 LEU H A 10 LEU HBx 1.0 1.8 3.5 1108 900 A 10 LEU H A 10 LEU HBy 1.0 1.8 3.5 1109 901 A 10 LEU HA A 10 LEU HDy% 1.0 1.8 3.5 1110 901 A 10 LEU HA A 10 LEU HDx% 1.0 1.8 3.5 1111 902 A 11 HIS H A 10 LEU HBx 1.0 1.8 5.0 1112 902 A 11 HIS H A 10 LEU HBy 1.0 1.8 5.0 1113 903 A 11 HIS H A 10 LEU HDy% 1.0 1.8 5.0 1114 903 A 11 HIS H A 10 LEU HDx% 1.0 1.8 5.0 1115 904 A 64 THR HG2% A 10 LEU HDy% 1.0 1.8 5.0 1116 904 A 64 THR HG2% A 10 LEU HDx% 1.0 1.8 5.0 1117 905 A 13 PHE H A 13 PHE HBy 1.0 1.8 5.0 1118 905 A 13 PHE H A 13 PHE HBx 1.0 1.8 5.0 1119 906 A 14 GLU H A 13 PHE HBy 1.0 1.8 3.5 1120 906 A 14 GLU H A 13 PHE HBx 1.0 1.8 3.5 1121 907 A 13 PHE HBx A 14 GLU HBx 1.0 1.8 6.0 1122 907 A 13 PHE HBy A 14 GLU HBx 1.0 1.8 6.0 1123 907 A 14 GLU HBy A 13 PHE HBy 1.0 1.8 6.0 1124 907 A 14 GLU HBy A 13 PHE HBx 1.0 1.8 6.0 1125 908 A 13 PHE HBy A 15 VAL HGx% 1.0 1.8 5.0 1126 908 A 13 PHE HBx A 15 VAL HGx% 1.0 1.8 5.0 1127 908 A 15 VAL HGy% A 13 PHE HBy 1.0 1.8 5.0 1128 908 A 15 VAL HGy% A 13 PHE HBx 1.0 1.8 5.0 1129 909 A 24 ILE HG2% A 13 PHE HBy 1.0 1.8 6.0 1130 909 A 24 ILE HG2% A 13 PHE HBx 1.0 1.8 6.0 1131 910 A 13 PHE HDx A 28 VAL HGx% 1.0 1.8 6.0 1132 910 A 13 PHE HDx A 28 VAL HGy% 1.0 1.8 6.0 1133 911 A 13 PHE HZ A 31 LEU HDy% 1.0 1.8 5.0 1134 911 A 13 PHE HZ A 31 LEU HDx% 1.0 1.8 5.0 1135 912 A 13 PHE HEy A 31 LEU HDy% 1.0 1.8 5.0 1136 912 A 31 LEU HDx% A 13 PHE HEy 1.0 1.8 5.0 1137 913 A 14 GLU H A 14 GLU HGy 1.0 1.8 5.0 1138 913 A 14 GLU H A 14 GLU HGx 1.0 1.8 5.0 1139 914 A 14 GLU H A 15 VAL HGx% 1.0 1.8 5.0 1140 914 A 14 GLU H A 15 VAL HGy% 1.0 1.8 5.0 1141 915 A 15 VAL H A 14 GLU HGy 1.0 1.8 5.0 1142 915 A 15 VAL H A 14 GLU HGx 1.0 1.8 5.0 1143 916 A 15 VAL H A 15 VAL HGx% 1.0 1.8 3.5 1144 916 A 15 VAL H A 15 VAL HGy% 1.0 1.8 3.5 1145 917 A 15 VAL HA A 15 VAL HGx% 1.0 1.8 3.5 1146 917 A 15 VAL HA A 15 VAL HGy% 1.0 1.8 3.5 1147 918 A 16 THR H A 15 VAL HGx% 1.0 1.8 5.0 1148 918 A 16 THR H A 15 VAL HGy% 1.0 1.8 5.0 1149 919 A 16 THR HA A 15 VAL HGx% 1.0 1.8 6.0 1150 919 A 16 THR HA A 15 VAL HGy% 1.0 1.8 6.0 1151 920 A 17 GLY H A 15 VAL HGx% 1.0 1.8 5.0 1152 920 A 17 GLY H A 15 VAL HGy% 1.0 1.8 5.0 1153 921 A 24 ILE HD1% A 15 VAL HGx% 1.0 1.8 3.5 1154 921 A 24 ILE HD1% A 15 VAL HGy% 1.0 1.8 3.5 1155 922 A 15 VAL HGx% A 54 LEU HBx 1.0 1.8 5.0 1156 922 A 15 VAL HGy% A 54 LEU HBx 1.0 1.8 5.0 1157 922 A 54 LEU HBy A 15 VAL HGx% 1.0 1.8 5.0 1158 922 A 15 VAL HGy% A 54 LEU HBy 1.0 1.8 5.0 1159 923 A 15 VAL HGy% A 54 LEU HDy% 1.0 1.8 3.5 1160 923 A 15 VAL HGx% A 54 LEU HDy% 1.0 1.8 3.5 1161 923 A 54 LEU HDx% A 15 VAL HGx% 1.0 1.8 3.5 1162 923 A 15 VAL HGy% A 54 LEU HDx% 1.0 1.8 3.5 1163 924 A 55 GLY H A 15 VAL HGx% 1.0 1.8 6.0 1164 924 A 55 GLY H A 15 VAL HGy% 1.0 1.8 6.0 1165 925 A 19 GLU H A 17 GLY HAy 1.0 1.8 5.0 1166 925 A 19 GLU H A 17 GLY HAx 1.0 1.8 5.0 1167 926 A 17 GLY HAx A 54 LEU HBx 1.0 1.8 5.0 1168 926 A 17 GLY HAy A 54 LEU HBx 1.0 1.8 5.0 1169 926 A 54 LEU HBy A 17 GLY HAy 1.0 1.8 5.0 1170 926 A 17 GLY HAx A 54 LEU HBy 1.0 1.8 5.0 1171 927 A 18 GLN H A 18 GLN HBy 1.0 1.8 3.5 1172 927 A 18 GLN H A 18 GLN HBx 1.0 1.8 3.5 1173 928 A 18 GLN H A 19 GLU HBy 1.0 1.8 5.0 1174 928 A 18 GLN H A 19 GLU HBx 1.0 1.8 5.0 1175 929 A 19 GLU H A 18 GLN HBy 1.0 1.8 5.0 1176 929 A 19 GLU H A 18 GLN HBx 1.0 1.8 5.0 1177 930 A 18 GLN HGx A 19 GLU HBy 1.0 1.8 5.0 1178 930 A 18 GLN HGy A 19 GLU HBy 1.0 1.8 5.0 1179 930 A 19 GLU HBx A 18 GLN HGx 1.0 1.8 5.0 1180 930 A 18 GLN HGy A 19 GLU HBx 1.0 1.8 5.0 1181 931 A 19 GLU H A 19 GLU HBy 1.0 1.8 3.5 1182 931 A 19 GLU H A 19 GLU HBx 1.0 1.8 3.5 1183 932 A 20 THR H A 19 GLU HBy 1.0 1.8 5.0 1184 932 A 20 THR H A 19 GLU HBx 1.0 1.8 5.0 1185 933 A 19 GLU HBy A 54 LEU HDy% 1.0 1.8 5.0 1186 933 A 19 GLU HBx A 54 LEU HDy% 1.0 1.8 5.0 1187 933 A 54 LEU HDx% A 19 GLU HBy 1.0 1.8 5.0 1188 933 A 54 LEU HDx% A 19 GLU HBx 1.0 1.8 5.0 1189 934 A 19 GLU HGx A 54 LEU HDy% 1.0 1.8 5.0 1190 934 A 19 GLU HGy A 54 LEU HDy% 1.0 1.8 5.0 1191 934 A 54 LEU HDx% A 19 GLU HGx 1.0 1.8 5.0 1192 934 A 19 GLU HGy A 54 LEU HDx% 1.0 1.8 5.0 1193 935 A 20 THR H A 23 GLN HGx 1.0 1.8 5.0 1194 935 A 20 THR H A 23 GLN HGy 1.0 1.8 5.0 1195 936 A 20 THR H A 54 LEU HDy% 1.0 1.8 5.0 1196 936 A 20 THR H A 54 LEU HDx% 1.0 1.8 5.0 1197 937 A 21 VAL H A 48 LEU HDy% 1.0 1.8 6.0 1198 937 A 21 VAL H A 48 LEU HDx% 1.0 1.8 6.0 1199 938 A 21 VAL HGx% A 25 LYS HGx 1.0 1.8 5.0 1200 938 A 21 VAL HGx% A 25 LYS HGy 1.0 1.8 5.0 1201 939 A 21 VAL HGy% A 48 LEU HDy% 1.0 1.8 3.5 1202 939 A 21 VAL HGy% A 48 LEU HDx% 1.0 1.8 3.5 1203 940 A 22 ALA HB% A 23 GLN HGx 1.0 1.8 6.0 1204 940 A 22 ALA HB% A 23 GLN HGy 1.0 1.8 6.0 1205 941 A 23 GLN H A 23 GLN HGx 1.0 1.8 3.5 1206 941 A 23 GLN H A 23 GLN HGy 1.0 1.8 3.5 1207 942 A 23 GLN H A 24 ILE HG1x 1.0 1.8 5.0 1208 942 A 23 GLN H A 24 ILE HG1y 1.0 1.8 5.0 1209 943 A 23 GLN HA A 23 GLN HGx 1.0 1.8 5.0 1210 943 A 23 GLN HA A 23 GLN HGy 1.0 1.8 5.0 1211 944 A 24 ILE H A 23 GLN HGx 1.0 1.8 5.0 1212 944 A 24 ILE H A 23 GLN HGy 1.0 1.8 5.0 1213 945 A 24 ILE H A 24 ILE HG1x 1.0 1.8 3.5 1214 945 A 24 ILE H A 24 ILE HG1y 1.0 1.8 3.5 1215 946 A 24 ILE H A 41 VAL HGx% 1.0 1.8 6.0 1216 946 A 24 ILE H A 41 VAL HGy% 1.0 1.8 6.0 1217 947 A 24 ILE HB A 41 VAL HGx% 1.0 1.8 5.0 1218 947 A 24 ILE HB A 41 VAL HGy% 1.0 1.8 5.0 1219 948 A 24 ILE HG2% A 28 VAL HGx% 1.0 1.8 5.0 1220 948 A 24 ILE HG2% A 28 VAL HGy% 1.0 1.8 5.0 1221 949 A 24 ILE HG2% A 41 VAL HGx% 1.0 1.8 2.7 1222 949 A 24 ILE HG2% A 41 VAL HGy% 1.0 1.8 2.7 1223 950 A 25 LYS H A 24 ILE HG1x 1.0 1.8 5.0 1224 950 A 25 LYS H A 24 ILE HG1y 1.0 1.8 5.0 1225 951 A 24 ILE HG1y A 41 VAL HGx% 1.0 1.8 5.0 1226 951 A 41 VAL HGy% A 24 ILE HG1x 1.0 1.8 5.0 1227 951 A 41 VAL HGy% A 24 ILE HG1y 1.0 1.8 5.0 1228 951 A 24 ILE HG1x A 41 VAL HGx% 1.0 1.8 5.0 1229 952 A 24 ILE HG1x A 54 LEU HDy% 1.0 1.8 5.0 1230 952 A 24 ILE HG1y A 54 LEU HDy% 1.0 1.8 5.0 1231 952 A 54 LEU HDx% A 24 ILE HG1x 1.0 1.8 5.0 1232 952 A 54 LEU HDx% A 24 ILE HG1y 1.0 1.8 5.0 1233 953 A 24 ILE HD1% A 54 LEU HDy% 1.0 1.8 3.5 1234 953 A 24 ILE HD1% A 54 LEU HDx% 1.0 1.8 3.5 1235 954 A 25 LYS H A 41 VAL HGx% 1.0 1.8 5.0 1236 954 A 25 LYS H A 41 VAL HGy% 1.0 1.8 5.0 1237 955 A 25 LYS HA A 28 VAL HGx% 1.0 1.8 5.0 1238 955 A 25 LYS HA A 28 VAL HGy% 1.0 1.8 5.0 1239 956 A 25 LYS HA A 41 VAL HGx% 1.0 1.8 5.0 1240 956 A 25 LYS HA A 41 VAL HGy% 1.0 1.8 5.0 1241 957 A 25 LYS HBy A 41 VAL HGx% 1.0 1.8 5.0 1242 957 A 41 VAL HGy% A 25 LYS HBx 1.0 1.8 5.0 1243 957 A 25 LYS HBy A 41 VAL HGy% 1.0 1.8 5.0 1244 957 A 25 LYS HBx A 41 VAL HGx% 1.0 1.8 5.0 1245 958 A 25 LYS HBy A 67 VAL HGx% 1.0 1.8 5.0 1246 958 A 25 LYS HBx A 67 VAL HGx% 1.0 1.8 5.0 1247 958 A 67 VAL HGy% A 25 LYS HBx 1.0 1.8 5.0 1248 958 A 25 LYS HBy A 67 VAL HGy% 1.0 1.8 5.0 1249 959 A 26 ALA H A 25 LYS HGx 1.0 1.8 5.0 1250 959 A 26 ALA H A 25 LYS HGy 1.0 1.8 5.0 1251 960 A 25 LYS HGx A 41 VAL HGx% 1.0 1.8 5.0 1252 960 A 25 LYS HGy A 41 VAL HGx% 1.0 1.8 5.0 1253 960 A 41 VAL HGy% A 25 LYS HGx 1.0 1.8 5.0 1254 960 A 41 VAL HGy% A 25 LYS HGy 1.0 1.8 5.0 1255 961 A 25 LYS HGy A 67 VAL HGx% 1.0 1.8 6.0 1256 961 A 25 LYS HGx A 67 VAL HGx% 1.0 1.8 6.0 1257 961 A 67 VAL HGy% A 25 LYS HGx 1.0 1.8 6.0 1258 961 A 67 VAL HGy% A 25 LYS HGy 1.0 1.8 6.0 1259 962 A 25 LYS HDx A 40 VAL HGx% 1.0 1.8 5.0 1260 962 A 25 LYS HDy A 40 VAL HGx% 1.0 1.8 5.0 1261 962 A 40 VAL HGy% A 25 LYS HDx 1.0 1.8 5.0 1262 962 A 25 LYS HDy A 40 VAL HGy% 1.0 1.8 5.0 1263 963 A 25 LYS HDy A 41 VAL HGx% 1.0 1.8 5.0 1264 963 A 25 LYS HDx A 41 VAL HGx% 1.0 1.8 5.0 1265 963 A 41 VAL HGy% A 25 LYS HDx 1.0 1.8 5.0 1266 963 A 25 LYS HDy A 41 VAL HGy% 1.0 1.8 5.0 1267 964 A 25 LYS HEx A 41 VAL HGx% 1.0 1.8 5.0 1268 964 A 25 LYS HEy A 41 VAL HGx% 1.0 1.8 5.0 1269 964 A 41 VAL HGy% A 25 LYS HEx 1.0 1.8 5.0 1270 964 A 25 LYS HEy A 41 VAL HGy% 1.0 1.8 5.0 1271 965 A 26 ALA H A 28 VAL HGx% 1.0 1.8 5.0 1272 965 A 26 ALA H A 28 VAL HGy% 1.0 1.8 5.0 1273 966 A 26 ALA H A 36 PRO HBx 1.0 1.8 5.0 1274 966 A 26 ALA H A 36 PRO HBy 1.0 1.8 5.0 1275 967 A 26 ALA H A 41 VAL HGx% 1.0 1.8 6.0 1276 967 A 26 ALA H A 41 VAL HGy% 1.0 1.8 6.0 1277 968 A 26 ALA HA A 36 PRO HBx 1.0 1.8 5.0 1278 968 A 26 ALA HA A 36 PRO HBy 1.0 1.8 5.0 1279 969 A 26 ALA HB% A 36 PRO HBx 1.0 1.8 5.0 1280 969 A 26 ALA HB% A 36 PRO HBy 1.0 1.8 5.0 1281 970 A 28 VAL H A 28 VAL HGx% 1.0 1.8 3.5 1282 970 A 28 VAL H A 28 VAL HGy% 1.0 1.8 3.5 1283 971 A 28 VAL HA A 28 VAL HGx% 1.0 1.8 3.5 1284 971 A 28 VAL HA A 28 VAL HGy% 1.0 1.8 3.5 1285 972 A 28 VAL HA A 31 LEU HDy% 1.0 1.8 5.0 1286 972 A 28 VAL HA A 31 LEU HDx% 1.0 1.8 5.0 1287 973 A 28 VAL HB A 67 VAL HGx% 1.0 1.8 6.0 1288 973 A 28 VAL HB A 67 VAL HGy% 1.0 1.8 6.0 1289 974 A 29 ALA H A 28 VAL HGx% 1.0 1.8 5.0 1290 974 A 29 ALA H A 28 VAL HGy% 1.0 1.8 5.0 1291 975 A 30 SER H A 28 VAL HGx% 1.0 1.8 6.0 1292 975 A 30 SER H A 28 VAL HGy% 1.0 1.8 6.0 1293 976 A 28 VAL HGx% A 31 LEU HDy% 1.0 1.8 5.0 1294 976 A 28 VAL HGy% A 31 LEU HDy% 1.0 1.8 5.0 1295 976 A 31 LEU HDx% A 28 VAL HGx% 1.0 1.8 5.0 1296 976 A 28 VAL HGy% A 31 LEU HDx% 1.0 1.8 5.0 1297 977 A 67 VAL HB A 28 VAL HGx% 1.0 1.8 6.0 1298 977 A 67 VAL HB A 28 VAL HGy% 1.0 1.8 6.0 1299 978 A 28 VAL HGx% A 67 VAL HGx% 1.0 1.8 5.0 1300 978 A 28 VAL HGy% A 67 VAL HGx% 1.0 1.8 5.0 1301 978 A 67 VAL HGy% A 28 VAL HGx% 1.0 1.8 5.0 1302 978 A 28 VAL HGy% A 67 VAL HGy% 1.0 1.8 5.0 1303 979 A 29 ALA H A 36 PRO HBx 1.0 1.8 5.0 1304 979 A 29 ALA H A 36 PRO HBy 1.0 1.8 5.0 1305 980 A 29 ALA HA A 34 ILE HG1x 1.0 1.8 3.5 1306 980 A 29 ALA HA A 34 ILE HG1y 1.0 1.8 3.5 1307 981 A 29 ALA HB% A 34 ILE HG1x 1.0 1.8 5.0 1308 981 A 29 ALA HB% A 34 ILE HG1y 1.0 1.8 5.0 1309 982 A 29 ALA HB% A 36 PRO HBx 1.0 1.8 3.5 1310 982 A 29 ALA HB% A 36 PRO HBy 1.0 1.8 3.5 1311 983 A 29 ALA HB% A 36 PRO HDx 1.0 1.8 3.5 1312 983 A 29 ALA HB% A 36 PRO HDy 1.0 1.8 3.5 1313 984 A 29 ALA HB% A 39 GLN HE2x 1.0 1.8 5.0 1314 984 A 29 ALA HB% A 39 GLN HE2y 1.0 1.8 5.0 1315 985 A 30 SER H A 32 GLU HBy 1.0 1.8 6.0 1316 985 A 30 SER H A 32 GLU HBx 1.0 1.8 6.0 1317 986 A 30 SER HBx A 31 LEU HDy% 1.0 1.8 5.0 1318 986 A 30 SER HBy A 31 LEU HDy% 1.0 1.8 5.0 1319 986 A 31 LEU HDx% A 30 SER HBx 1.0 1.8 5.0 1320 986 A 30 SER HBy A 31 LEU HDx% 1.0 1.8 5.0 1321 987 A 31 LEU HA A 31 LEU HDy% 1.0 1.8 3.5 1322 987 A 31 LEU HA A 31 LEU HDx% 1.0 1.8 3.5 1323 988 A 32 GLU H A 31 LEU HDy% 1.0 1.8 5.0 1324 988 A 32 GLU H A 31 LEU HDx% 1.0 1.8 5.0 1325 989 A 32 GLU H A 32 GLU HGy 1.0 1.8 5.0 1326 989 A 32 GLU H A 32 GLU HGx 1.0 1.8 5.0 1327 990 A 32 GLU H A 34 ILE HG1x 1.0 1.8 6.0 1328 990 A 32 GLU H A 34 ILE HG1y 1.0 1.8 6.0 1329 991 A 32 GLU HA A 32 GLU HGy 1.0 1.8 5.0 1330 991 A 32 GLU HA A 32 GLU HGx 1.0 1.8 5.0 1331 992 A 33 GLY H A 32 GLU HBy 1.0 1.8 5.0 1332 992 A 33 GLY H A 32 GLU HBx 1.0 1.8 5.0 1333 993 A 34 ILE H A 32 GLU HBy 1.0 1.8 5.0 1334 993 A 34 ILE H A 32 GLU HBx 1.0 1.8 5.0 1335 994 A 34 ILE HD1% A 32 GLU HBy 1.0 1.8 5.0 1336 994 A 34 ILE HD1% A 32 GLU HBx 1.0 1.8 5.0 1337 995 A 34 ILE HA A 33 GLY HAy 1.0 1.8 5.0 1338 995 A 34 ILE HA A 33 GLY HAx 1.0 1.8 5.0 1339 996 A 34 ILE H A 34 ILE HG1x 1.0 1.8 3.5 1340 996 A 34 ILE H A 34 ILE HG1y 1.0 1.8 3.5 1341 997 A 35 ALA H A 34 ILE HG1x 1.0 1.8 5.0 1342 997 A 35 ALA H A 34 ILE HG1y 1.0 1.8 5.0 1343 998 A 39 GLN HE2y A 34 ILE HG1y 1.0 1.8 5.0 1344 998 A 39 GLN HE2x A 34 ILE HG1x 1.0 1.8 5.0 1345 998 A 39 GLN HE2y A 34 ILE HG1x 1.0 1.8 5.0 1346 998 A 39 GLN HE2x A 34 ILE HG1y 1.0 1.8 5.0 1347 999 A 35 ALA H A 36 PRO HDx 1.0 1.8 5.0 1348 999 A 35 ALA H A 36 PRO HDy 1.0 1.8 5.0 1349 1000 A 35 ALA HA A 36 PRO HDx 1.0 1.8 3.5 1350 1000 A 35 ALA HA A 36 PRO HDy 1.0 1.8 3.5 1351 1001 A 35 ALA HB% A 36 PRO HDx 1.0 1.8 5.0 1352 1001 A 35 ALA HB% A 36 PRO HDy 1.0 1.8 5.0 1353 1002 A 35 ALA HB% A 39 GLN HE2x 1.0 1.8 6.0 1354 1002 A 35 ALA HB% A 39 GLN HE2y 1.0 1.8 6.0 1355 1003 A 38 ASP H A 36 PRO HBx 1.0 1.8 6.0 1356 1003 A 38 ASP H A 36 PRO HBy 1.0 1.8 6.0 1357 1004 A 37 GLU H A 36 PRO HDx 1.0 1.8 5.0 1358 1004 A 37 GLU H A 36 PRO HDy 1.0 1.8 5.0 1359 1005 A 38 ASP H A 38 ASP HBx 1.0 1.8 3.5 1360 1005 A 38 ASP H A 38 ASP HBy 1.0 1.8 3.5 1361 1006 A 38 ASP H A 39 GLN HBx 1.0 1.8 5.0 1362 1006 A 38 ASP H A 39 GLN HBy 1.0 1.8 5.0 1363 1007 A 38 ASP H A 39 GLN HE2x 1.0 1.8 5.0 1364 1007 A 38 ASP H A 39 GLN HE2y 1.0 1.8 5.0 1365 1008 A 39 GLN H A 38 ASP HBx 1.0 1.8 5.0 1366 1008 A 39 GLN H A 38 ASP HBy 1.0 1.8 5.0 1367 1009 A 39 GLN H A 39 GLN HBx 1.0 1.8 3.5 1368 1009 A 39 GLN H A 39 GLN HBy 1.0 1.8 3.5 1369 1010 A 39 GLN H A 39 GLN HGx 1.0 1.8 5.0 1370 1010 A 39 GLN H A 39 GLN HGy 1.0 1.8 5.0 1371 1011 A 39 GLN HA A 39 GLN HGx 1.0 1.8 5.0 1372 1011 A 39 GLN HA A 39 GLN HGy 1.0 1.8 5.0 1373 1012 A 39 GLN HA A 40 VAL HGx% 1.0 1.8 5.0 1374 1012 A 39 GLN HA A 40 VAL HGy% 1.0 1.8 5.0 1375 1013 A 39 GLN HA A 67 VAL HGx% 1.0 1.8 5.0 1376 1013 A 39 GLN HA A 67 VAL HGy% 1.0 1.8 5.0 1377 1014 A 39 GLN HA A 69 GLY HAy 1.0 1.8 5.0 1378 1014 A 39 GLN HA A 69 GLY HAx 1.0 1.8 5.0 1379 1015 A 40 VAL H A 39 GLN HBx 1.0 1.8 5.0 1380 1015 A 40 VAL H A 39 GLN HBy 1.0 1.8 5.0 1381 1016 A 39 GLN HBx A 67 VAL HGx% 1.0 1.8 3.5 1382 1016 A 39 GLN HBy A 67 VAL HGx% 1.0 1.8 3.5 1383 1016 A 67 VAL HGy% A 39 GLN HBx 1.0 1.8 3.5 1384 1016 A 67 VAL HGy% A 39 GLN HBy 1.0 1.8 3.5 1385 1017 A 68 ALA H A 39 GLN HBx 1.0 1.8 6.0 1386 1017 A 68 ALA H A 39 GLN HBy 1.0 1.8 6.0 1387 1018 A 39 GLN HGx A 67 VAL HGx% 1.0 1.8 5.0 1388 1018 A 39 GLN HGy A 67 VAL HGx% 1.0 1.8 5.0 1389 1018 A 67 VAL HGy% A 39 GLN HGx 1.0 1.8 5.0 1390 1018 A 67 VAL HGy% A 39 GLN HGy 1.0 1.8 5.0 1391 1019 A 40 VAL H A 40 VAL HGx% 1.0 1.8 5.0 1392 1019 A 40 VAL H A 40 VAL HGy% 1.0 1.8 5.0 1393 1020 A 40 VAL H A 69 GLY HAy 1.0 1.8 5.0 1394 1020 A 40 VAL H A 69 GLY HAx 1.0 1.8 5.0 1395 1021 A 40 VAL HA A 41 VAL HGx% 1.0 1.8 5.0 1396 1021 A 40 VAL HA A 41 VAL HGy% 1.0 1.8 5.0 1397 1022 A 40 VAL HA A 71 MET HBy 1.0 1.8 6.0 1398 1022 A 40 VAL HA A 71 MET HBx 1.0 1.8 6.0 1399 1023 A 40 VAL HB A 42 LEU HDy% 1.0 1.8 5.0 1400 1023 A 40 VAL HB A 42 LEU HDx% 1.0 1.8 5.0 1401 1024 A 40 VAL HB A 70 ARG HBx 1.0 1.8 5.0 1402 1024 A 40 VAL HB A 70 ARG HBy 1.0 1.8 5.0 1403 1025 A 40 VAL HB A 71 MET HBy 1.0 1.8 5.0 1404 1025 A 40 VAL HB A 71 MET HBx 1.0 1.8 5.0 1405 1026 A 41 VAL H A 40 VAL HGx% 1.0 1.8 3.5 1406 1026 A 41 VAL H A 40 VAL HGy% 1.0 1.8 3.5 1407 1027 A 42 LEU HG A 40 VAL HGx% 1.0 1.8 5.0 1408 1027 A 42 LEU HG A 40 VAL HGy% 1.0 1.8 5.0 1409 1028 A 40 VAL HGx% A 42 LEU HDy% 1.0 1.8 3.5 1410 1028 A 40 VAL HGy% A 42 LEU HDy% 1.0 1.8 3.5 1411 1028 A 42 LEU HDx% A 40 VAL HGx% 1.0 1.8 3.5 1412 1028 A 40 VAL HGy% A 42 LEU HDx% 1.0 1.8 3.5 1413 1029 A 67 VAL HA A 40 VAL HGx% 1.0 1.8 5.0 1414 1029 A 67 VAL HA A 40 VAL HGy% 1.0 1.8 5.0 1415 1030 A 68 ALA H A 40 VAL HGx% 1.0 1.8 5.0 1416 1030 A 68 ALA H A 40 VAL HGy% 1.0 1.8 5.0 1417 1031 A 68 ALA HB% A 40 VAL HGx% 1.0 1.8 3.5 1418 1031 A 68 ALA HB% A 40 VAL HGy% 1.0 1.8 3.5 1419 1032 A 69 GLY H A 40 VAL HGx% 1.0 1.8 5.0 1420 1032 A 69 GLY H A 40 VAL HGy% 1.0 1.8 5.0 1421 1033 A 70 ARG H A 40 VAL HGx% 1.0 1.8 5.0 1422 1033 A 70 ARG H A 40 VAL HGy% 1.0 1.8 5.0 1423 1034 A 70 ARG HA A 40 VAL HGx% 1.0 1.8 5.0 1424 1034 A 70 ARG HA A 40 VAL HGy% 1.0 1.8 5.0 1425 1035 A 40 VAL HGx% A 70 ARG HBx 1.0 1.8 5.0 1426 1035 A 40 VAL HGy% A 70 ARG HBx 1.0 1.8 5.0 1427 1035 A 70 ARG HBy A 40 VAL HGx% 1.0 1.8 5.0 1428 1035 A 40 VAL HGy% A 70 ARG HBy 1.0 1.8 5.0 1429 1036 A 40 VAL HGx% A 70 ARG HGx 1.0 1.8 5.0 1430 1036 A 40 VAL HGy% A 70 ARG HGx 1.0 1.8 5.0 1431 1036 A 70 ARG HGy A 40 VAL HGx% 1.0 1.8 5.0 1432 1036 A 70 ARG HGy A 40 VAL HGy% 1.0 1.8 5.0 1433 1037 A 40 VAL HGy% A 70 ARG HDx 1.0 1.8 5.0 1434 1037 A 40 VAL HGx% A 70 ARG HDx 1.0 1.8 5.0 1435 1037 A 70 ARG HDy A 40 VAL HGx% 1.0 1.8 5.0 1436 1037 A 70 ARG HDy A 40 VAL HGy% 1.0 1.8 5.0 1437 1038 A 40 VAL HGx% A 71 MET HBy 1.0 1.8 5.0 1438 1038 A 40 VAL HGy% A 71 MET HBy 1.0 1.8 5.0 1439 1038 A 71 MET HBx A 40 VAL HGx% 1.0 1.8 5.0 1440 1038 A 40 VAL HGy% A 71 MET HBx 1.0 1.8 5.0 1441 1039 A 71 MET HE% A 40 VAL HGx% 1.0 1.8 5.0 1442 1039 A 71 MET HE% A 40 VAL HGy% 1.0 1.8 5.0 1443 1040 A 41 VAL H A 41 VAL HGx% 1.0 1.8 3.5 1444 1040 A 41 VAL H A 41 VAL HGy% 1.0 1.8 3.5 1445 1041 A 41 VAL HA A 41 VAL HGx% 1.0 1.8 2.7 1446 1041 A 41 VAL HA A 41 VAL HGy% 1.0 1.8 2.7 1447 1042 A 42 LEU H A 41 VAL HGx% 1.0 1.8 3.5 1448 1042 A 42 LEU H A 41 VAL HGy% 1.0 1.8 3.5 1449 1043 A 65 LEU HBy A 41 VAL HGx% 1.0 1.8 5.0 1450 1043 A 65 LEU HBy A 41 VAL HGy% 1.0 1.8 5.0 1451 1044 A 65 LEU HBx A 41 VAL HGx% 1.0 1.8 3.5 1452 1044 A 65 LEU HBx A 41 VAL HGy% 1.0 1.8 3.5 1453 1045 A 41 VAL HGy% A 65 LEU HDy% 1.0 1.8 3.5 1454 1045 A 41 VAL HGx% A 65 LEU HDy% 1.0 1.8 3.5 1455 1045 A 65 LEU HDx% A 41 VAL HGx% 1.0 1.8 3.5 1456 1045 A 65 LEU HDx% A 41 VAL HGy% 1.0 1.8 3.5 1457 1046 A 42 LEU H A 42 LEU HDy% 1.0 1.8 5.0 1458 1046 A 42 LEU H A 42 LEU HDx% 1.0 1.8 5.0 1459 1047 A 42 LEU HA A 42 LEU HDy% 1.0 1.8 3.5 1460 1047 A 42 LEU HA A 42 LEU HDx% 1.0 1.8 3.5 1461 1048 A 42 LEU HA A 48 LEU HDy% 1.0 1.8 5.0 1462 1048 A 42 LEU HA A 48 LEU HDx% 1.0 1.8 5.0 1463 1049 A 42 LEU HBy A 42 LEU HDy% 1.0 1.8 3.5 1464 1049 A 42 LEU HBy A 42 LEU HDx% 1.0 1.8 3.5 1465 1050 A 43 LEU H A 42 LEU HDy% 1.0 1.8 5.0 1466 1050 A 43 LEU H A 42 LEU HDx% 1.0 1.8 5.0 1467 1051 A 45 GLY H A 42 LEU HDy% 1.0 1.8 5.0 1468 1051 A 45 GLY H A 42 LEU HDx% 1.0 1.8 5.0 1469 1052 A 45 GLY HAy A 42 LEU HDy% 1.0 1.8 5.0 1470 1052 A 42 LEU HDx% A 45 GLY HAy 1.0 1.8 5.0 1471 1053 A 45 GLY HAx A 42 LEU HDy% 1.0 1.8 6.0 1472 1053 A 42 LEU HDx% A 45 GLY HAx 1.0 1.8 6.0 1473 1054 A 46 ALA H A 42 LEU HDy% 1.0 1.8 5.0 1474 1054 A 46 ALA H A 42 LEU HDx% 1.0 1.8 5.0 1475 1055 A 47 PRO HA A 42 LEU HDy% 1.0 1.8 3.5 1476 1055 A 47 PRO HA A 42 LEU HDx% 1.0 1.8 3.5 1477 1056 A 42 LEU HDy% A 47 PRO HBx 1.0 1.8 5.0 1478 1056 A 42 LEU HDx% A 47 PRO HBx 1.0 1.8 5.0 1479 1056 A 47 PRO HBy A 42 LEU HDy% 1.0 1.8 5.0 1480 1056 A 42 LEU HDx% A 47 PRO HBy 1.0 1.8 5.0 1481 1057 A 42 LEU HDy% A 47 PRO HDy 1.0 1.8 5.0 1482 1057 A 42 LEU HDx% A 47 PRO HDy 1.0 1.8 5.0 1483 1057 A 47 PRO HDx A 42 LEU HDy% 1.0 1.8 5.0 1484 1057 A 42 LEU HDx% A 47 PRO HDx 1.0 1.8 5.0 1485 1058 A 48 LEU H A 42 LEU HDy% 1.0 1.8 5.0 1486 1058 A 48 LEU H A 42 LEU HDx% 1.0 1.8 5.0 1487 1059 A 66 GLU HBx A 42 LEU HDy% 1.0 1.8 5.0 1488 1059 A 66 GLU HBx A 42 LEU HDx% 1.0 1.8 5.0 1489 1060 A 67 VAL HA A 42 LEU HDy% 1.0 1.8 5.0 1490 1060 A 67 VAL HA A 42 LEU HDx% 1.0 1.8 5.0 1491 1061 A 68 ALA H A 42 LEU HDy% 1.0 1.8 5.0 1492 1061 A 68 ALA H A 42 LEU HDx% 1.0 1.8 5.0 1493 1062 A 68 ALA HB% A 42 LEU HDy% 1.0 1.8 3.5 1494 1062 A 68 ALA HB% A 42 LEU HDx% 1.0 1.8 3.5 1495 1063 A 43 LEU H A 43 LEU HDy% 1.0 1.8 5.0 1496 1063 A 43 LEU H A 43 LEU HDx% 1.0 1.8 5.0 1497 1064 A 43 LEU H A 48 LEU HDy% 1.0 1.8 3.5 1498 1064 A 43 LEU H A 48 LEU HDx% 1.0 1.8 3.5 1499 1065 A 43 LEU HA A 43 LEU HDy% 1.0 1.8 3.5 1500 1065 A 43 LEU HA A 43 LEU HDx% 1.0 1.8 3.5 1501 1066 A 43 LEU HA A 65 LEU HDy% 1.0 1.8 3.5 1502 1066 A 43 LEU HA A 65 LEU HDx% 1.0 1.8 3.5 1503 1067 A 43 LEU HBy A 43 LEU HDy% 1.0 1.8 3.5 1504 1067 A 43 LEU HBy A 43 LEU HDx% 1.0 1.8 3.5 1505 1068 A 43 LEU HBy A 48 LEU HDy% 1.0 1.8 3.5 1506 1068 A 43 LEU HBy A 48 LEU HDx% 1.0 1.8 3.5 1507 1069 A 43 LEU HBy A 59 VAL HGx% 1.0 1.8 6.0 1508 1069 A 43 LEU HBy A 59 VAL HGy% 1.0 1.8 6.0 1509 1070 A 43 LEU HBy A 65 LEU HDy% 1.0 1.8 5.0 1510 1070 A 43 LEU HBy A 65 LEU HDx% 1.0 1.8 5.0 1511 1071 A 43 LEU HBx A 48 LEU HDy% 1.0 1.8 3.5 1512 1071 A 43 LEU HBx A 48 LEU HDx% 1.0 1.8 3.5 1513 1072 A 44 ALA H A 43 LEU HDy% 1.0 1.8 5.0 1514 1072 A 44 ALA H A 43 LEU HDx% 1.0 1.8 5.0 1515 1073 A 44 ALA HB% A 43 LEU HDy% 1.0 1.8 5.0 1516 1073 A 44 ALA HB% A 43 LEU HDx% 1.0 1.8 5.0 1517 1074 A 43 LEU HDx% A 48 LEU HDy% 1.0 1.8 2.7 1518 1074 A 48 LEU HDx% A 43 LEU HDy% 1.0 1.8 2.7 1519 1074 A 48 LEU HDx% A 43 LEU HDx% 1.0 1.8 2.7 1520 1074 A 43 LEU HDy% A 48 LEU HDy% 1.0 1.8 2.7 1521 1075 A 43 LEU HDx% A 57 CYS HBx 1.0 1.8 5.0 1522 1075 A 43 LEU HDy% A 57 CYS HBx 1.0 1.8 5.0 1523 1075 A 57 CYS HBy A 43 LEU HDy% 1.0 1.8 5.0 1524 1075 A 43 LEU HDx% A 57 CYS HBy 1.0 1.8 5.0 1525 1076 A 59 VAL HA A 43 LEU HDy% 1.0 1.8 5.0 1526 1076 A 59 VAL HA A 43 LEU HDx% 1.0 1.8 5.0 1527 1077 A 59 VAL HB A 43 LEU HDy% 1.0 1.8 5.0 1528 1077 A 59 VAL HB A 43 LEU HDx% 1.0 1.8 5.0 1529 1078 A 63 THR HG2% A 43 LEU HDy% 1.0 1.8 3.5 1530 1078 A 63 THR HG2% A 43 LEU HDx% 1.0 1.8 3.5 1531 1079 A 43 LEU HDx% A 65 LEU HDy% 1.0 1.8 3.5 1532 1079 A 43 LEU HDy% A 65 LEU HDy% 1.0 1.8 3.5 1533 1079 A 65 LEU HDx% A 43 LEU HDy% 1.0 1.8 3.5 1534 1079 A 65 LEU HDx% A 43 LEU HDx% 1.0 1.8 3.5 1535 1080 A 46 ALA H A 47 PRO HDy 1.0 1.8 5.0 1536 1080 A 46 ALA H A 47 PRO HDx 1.0 1.8 5.0 1537 1081 A 46 ALA HB% A 47 PRO HDy 1.0 1.8 3.5 1538 1081 A 46 ALA HB% A 47 PRO HDx 1.0 1.8 3.5 1539 1082 A 46 ALA HB% A 48 LEU HDy% 1.0 1.8 5.0 1540 1082 A 46 ALA HB% A 48 LEU HDx% 1.0 1.8 5.0 1541 1083 A 48 LEU H A 47 PRO HBx 1.0 1.8 5.0 1542 1083 A 48 LEU H A 47 PRO HBy 1.0 1.8 5.0 1543 1084 A 48 LEU H A 47 PRO HGy 1.0 1.8 5.0 1544 1084 A 48 LEU H A 47 PRO HGx 1.0 1.8 5.0 1545 1085 A 48 LEU H A 48 LEU HDy% 1.0 1.8 5.0 1546 1085 A 48 LEU H A 48 LEU HDx% 1.0 1.8 5.0 1547 1086 A 48 LEU HA A 48 LEU HDy% 1.0 1.8 3.5 1548 1086 A 48 LEU HA A 48 LEU HDx% 1.0 1.8 3.5 1549 1087 A 49 GLU H A 48 LEU HDy% 1.0 1.8 3.5 1550 1087 A 49 GLU H A 48 LEU HDx% 1.0 1.8 3.5 1551 1088 A 52 ALA HB% A 48 LEU HDy% 1.0 1.8 6.0 1552 1088 A 52 ALA HB% A 48 LEU HDx% 1.0 1.8 6.0 1553 1089 A 48 LEU HDy% A 57 CYS HBx 1.0 1.8 3.5 1554 1089 A 57 CYS HBy A 48 LEU HDy% 1.0 1.8 3.5 1555 1089 A 48 LEU HDx% A 57 CYS HBy 1.0 1.8 3.5 1556 1089 A 48 LEU HDx% A 57 CYS HBx 1.0 1.8 3.5 1557 1090 A 49 GLU H A 49 GLU HBy 1.0 1.8 3.5 1558 1090 A 49 GLU H A 49 GLU HBx 1.0 1.8 3.5 1559 1091 A 51 GLU H A 49 GLU HBy 1.0 1.8 3.5 1560 1091 A 51 GLU H A 49 GLU HBx 1.0 1.8 3.5 1561 1092 A 49 GLU HBx A 51 GLU HGx 1.0 1.8 3.5 1562 1092 A 49 GLU HBy A 51 GLU HGx 1.0 1.8 3.5 1563 1092 A 51 GLU HGy A 49 GLU HBy 1.0 1.8 3.5 1564 1092 A 51 GLU HGy A 49 GLU HBx 1.0 1.8 3.5 1565 1093 A 52 ALA H A 49 GLU HBy 1.0 1.8 5.0 1566 1093 A 52 ALA H A 49 GLU HBx 1.0 1.8 5.0 1567 1094 A 52 ALA HB% A 49 GLU HBy 1.0 1.8 3.5 1568 1094 A 52 ALA HB% A 49 GLU HBx 1.0 1.8 3.5 1569 1095 A 51 GLU H A 51 GLU HBy 1.0 1.8 3.5 1570 1095 A 51 GLU H A 51 GLU HBx 1.0 1.8 3.5 1571 1096 A 52 ALA H A 51 GLU HBy 1.0 1.8 5.0 1572 1096 A 52 ALA H A 51 GLU HBx 1.0 1.8 5.0 1573 1097 A 53 THR H A 56 GLN HBy 1.0 1.8 3.5 1574 1097 A 53 THR H A 56 GLN HBx 1.0 1.8 3.5 1575 1098 A 54 LEU H A 54 LEU HBx 1.0 1.8 3.5 1576 1098 A 54 LEU H A 54 LEU HBy 1.0 1.8 3.5 1577 1099 A 54 LEU H A 54 LEU HDy% 1.0 1.8 3.5 1578 1099 A 54 LEU H A 54 LEU HDx% 1.0 1.8 3.5 1579 1100 A 54 LEU HA A 54 LEU HDy% 1.0 1.8 3.5 1580 1100 A 54 LEU HA A 54 LEU HDx% 1.0 1.8 3.5 1581 1101 A 54 LEU HA A 59 VAL HGx% 1.0 1.8 5.0 1582 1101 A 54 LEU HA A 59 VAL HGy% 1.0 1.8 5.0 1583 1102 A 55 GLY H A 54 LEU HBx 1.0 1.8 3.5 1584 1102 A 55 GLY H A 54 LEU HBy 1.0 1.8 3.5 1585 1103 A 56 GLN H A 54 LEU HBx 1.0 1.8 6.0 1586 1103 A 56 GLN H A 54 LEU HBy 1.0 1.8 6.0 1587 1104 A 54 LEU HBx A 59 VAL HGx% 1.0 1.8 5.0 1588 1104 A 59 VAL HGy% A 54 LEU HBx 1.0 1.8 5.0 1589 1104 A 54 LEU HBy A 59 VAL HGy% 1.0 1.8 5.0 1590 1104 A 54 LEU HBy A 59 VAL HGx% 1.0 1.8 5.0 1591 1105 A 55 GLY H A 54 LEU HDy% 1.0 1.8 5.0 1592 1105 A 55 GLY H A 54 LEU HDx% 1.0 1.8 5.0 1593 1106 A 59 VAL HB A 54 LEU HDy% 1.0 1.8 5.0 1594 1106 A 59 VAL HB A 54 LEU HDx% 1.0 1.8 5.0 1595 1107 A 54 LEU HDx% A 59 VAL HGx% 1.0 1.8 3.5 1596 1107 A 54 LEU HDy% A 59 VAL HGx% 1.0 1.8 3.5 1597 1107 A 59 VAL HGy% A 54 LEU HDy% 1.0 1.8 3.5 1598 1107 A 54 LEU HDx% A 59 VAL HGy% 1.0 1.8 3.5 1599 1108 A 55 GLY H A 59 VAL HGx% 1.0 1.8 5.0 1600 1108 A 55 GLY H A 59 VAL HGy% 1.0 1.8 5.0 1601 1109 A 56 GLN H A 56 GLN HBy 1.0 1.8 3.5 1602 1109 A 56 GLN H A 56 GLN HBx 1.0 1.8 3.5 1603 1110 A 57 CYS H A 56 GLN HBy 1.0 1.8 5.0 1604 1110 A 57 CYS H A 56 GLN HBx 1.0 1.8 5.0 1605 1111 A 57 CYS H A 57 CYS HBx 1.0 1.8 3.5 1606 1111 A 57 CYS H A 57 CYS HBy 1.0 1.8 3.5 1607 1112 A 57 CYS H A 59 VAL HGx% 1.0 1.8 5.0 1608 1112 A 57 CYS H A 59 VAL HGy% 1.0 1.8 5.0 1609 1113 A 57 CYS HA A 58 GLY HAy 1.0 1.8 5.0 1610 1113 A 57 CYS HA A 58 GLY HAx 1.0 1.8 5.0 1611 1114 A 58 GLY H A 57 CYS HBx 1.0 1.8 5.0 1612 1114 A 58 GLY H A 57 CYS HBy 1.0 1.8 5.0 1613 1115 A 59 VAL H A 57 CYS HBx 1.0 1.8 5.0 1614 1115 A 59 VAL H A 57 CYS HBy 1.0 1.8 5.0 1615 1116 A 57 CYS HBy A 59 VAL HGx% 1.0 1.8 5.0 1616 1116 A 57 CYS HBx A 59 VAL HGx% 1.0 1.8 5.0 1617 1116 A 59 VAL HGy% A 57 CYS HBx 1.0 1.8 5.0 1618 1116 A 59 VAL HGy% A 57 CYS HBy 1.0 1.8 5.0 1619 1117 A 58 GLY H A 59 VAL HGx% 1.0 1.8 5.0 1620 1117 A 58 GLY H A 59 VAL HGy% 1.0 1.8 5.0 1621 1118 A 59 VAL H A 59 VAL HGx% 1.0 1.8 3.5 1622 1118 A 59 VAL H A 59 VAL HGy% 1.0 1.8 3.5 1623 1119 A 60 GLU H A 59 VAL HGx% 1.0 1.8 3.5 1624 1119 A 60 GLU H A 59 VAL HGy% 1.0 1.8 3.5 1625 1120 A 60 GLU HA A 59 VAL HGx% 1.0 1.8 5.0 1626 1120 A 60 GLU HA A 59 VAL HGy% 1.0 1.8 5.0 1627 1121 A 59 VAL HGy% A 60 GLU HGy 1.0 1.8 5.0 1628 1121 A 60 GLU HGx A 59 VAL HGx% 1.0 1.8 5.0 1629 1121 A 59 VAL HGy% A 60 GLU HGx 1.0 1.8 5.0 1630 1121 A 59 VAL HGx% A 60 GLU HGy 1.0 1.8 5.0 1631 1122 A 63 THR H A 59 VAL HGx% 1.0 1.8 5.0 1632 1122 A 63 THR H A 59 VAL HGy% 1.0 1.8 5.0 1633 1123 A 63 THR HB A 59 VAL HGx% 1.0 1.8 5.0 1634 1123 A 63 THR HB A 59 VAL HGy% 1.0 1.8 5.0 1635 1124 A 63 THR HG2% A 59 VAL HGx% 1.0 1.8 3.5 1636 1124 A 63 THR HG2% A 59 VAL HGy% 1.0 1.8 3.5 1637 1125 A 60 GLU H A 60 GLU HBy 1.0 1.8 3.5 1638 1125 A 60 GLU H A 60 GLU HBx 1.0 1.8 3.5 1639 1126 A 60 GLU H A 60 GLU HGy 1.0 1.8 3.5 1640 1126 A 60 GLU H A 60 GLU HGx 1.0 1.8 3.5 1641 1127 A 61 ALA H A 60 GLU HGy 1.0 1.8 5.0 1642 1127 A 61 ALA H A 60 GLU HGx 1.0 1.8 5.0 1643 1128 A 61 ALA H A 62 LEU HDy% 1.0 1.8 5.0 1644 1128 A 61 ALA H A 62 LEU HDx% 1.0 1.8 5.0 1645 1129 A 61 ALA HA A 62 LEU HDy% 1.0 1.8 5.0 1646 1129 A 61 ALA HA A 62 LEU HDx% 1.0 1.8 5.0 1647 1130 A 61 ALA HB% A 62 LEU HDy% 1.0 1.8 3.5 1648 1130 A 61 ALA HB% A 62 LEU HDx% 1.0 1.8 3.5 1649 1131 A 62 LEU H A 62 LEU HDy% 1.0 1.8 5.0 1650 1131 A 62 LEU H A 62 LEU HDx% 1.0 1.8 5.0 1651 1132 A 62 LEU HA A 62 LEU HDy% 1.0 1.8 3.5 1652 1132 A 62 LEU HA A 62 LEU HDx% 1.0 1.8 3.5 1653 1133 A 62 LEU HBy A 62 LEU HDy% 1.0 1.8 3.5 1654 1133 A 62 LEU HBx A 62 LEU HDy% 1.0 1.8 3.5 1655 1133 A 62 LEU HDx% A 62 LEU HBy 1.0 1.8 3.5 1656 1133 A 62 LEU HDx% A 62 LEU HBx 1.0 1.8 3.5 1657 1134 A 63 THR H A 62 LEU HBy 1.0 1.8 5.0 1658 1134 A 63 THR H A 62 LEU HBx 1.0 1.8 5.0 1659 1135 A 63 THR H A 62 LEU HDy% 1.0 1.8 5.0 1660 1135 A 63 THR H A 62 LEU HDx% 1.0 1.8 5.0 1661 1136 A 63 THR HG2% A 65 LEU HDy% 1.0 1.8 3.5 1662 1136 A 63 THR HG2% A 65 LEU HDx% 1.0 1.8 3.5 1663 1137 A 65 LEU HA A 65 LEU HDy% 1.0 1.8 3.5 1664 1137 A 65 LEU HA A 65 LEU HDx% 1.0 1.8 3.5 1665 1138 A 66 GLU H A 65 LEU HDy% 1.0 1.8 5.0 1666 1138 A 66 GLU H A 65 LEU HDx% 1.0 1.8 5.0 1667 1139 A 66 GLU H A 67 VAL HGx% 1.0 1.8 6.0 1668 1139 A 66 GLU H A 67 VAL HGy% 1.0 1.8 6.0 1669 1140 A 66 GLU HA A 67 VAL HGx% 1.0 1.8 5.0 1670 1140 A 66 GLU HA A 67 VAL HGy% 1.0 1.8 5.0 1671 1141 A 67 VAL H A 67 VAL HGx% 1.0 1.8 3.5 1672 1141 A 67 VAL H A 67 VAL HGy% 1.0 1.8 3.5 1673 1142 A 67 VAL HA A 67 VAL HGx% 1.0 1.8 3.5 1674 1142 A 67 VAL HA A 67 VAL HGy% 1.0 1.8 3.5 1675 1143 A 68 ALA H A 67 VAL HGx% 1.0 1.8 5.0 1676 1143 A 68 ALA H A 67 VAL HGy% 1.0 1.8 5.0 1677 1144 A 68 ALA HB% A 67 VAL HGx% 1.0 1.8 6.0 1678 1144 A 68 ALA HB% A 67 VAL HGy% 1.0 1.8 6.0 1679 1145 A 68 ALA HB% A 69 GLY HAy 1.0 1.8 5.0 1680 1145 A 68 ALA HB% A 69 GLY HAx 1.0 1.8 5.0 1681 1146 A 70 ARG H A 69 GLY HAy 1.0 1.8 3.5 1682 1146 A 70 ARG H A 69 GLY HAx 1.0 1.8 3.5 1683 1147 A 70 ARG H A 70 ARG HBx 1.0 1.8 3.5 1684 1147 A 70 ARG H A 70 ARG HBy 1.0 1.8 3.5 1685 1148 A 70 ARG HBy A 70 ARG HDx 1.0 1.8 3.5 1686 1148 A 70 ARG HBx A 70 ARG HDx 1.0 1.8 3.5 1687 1148 A 70 ARG HDy A 70 ARG HBx 1.0 1.8 3.5 1688 1148 A 70 ARG HDy A 70 ARG HBy 1.0 1.8 3.5 1689 1149 A 71 MET H A 71 MET HBy 1.0 1.8 5.0 1690 1149 A 71 MET H A 71 MET HBx 1.0 1.8 5.0 1691 1150 A 72 LEU HA A 71 MET HBy 1.0 1.8 6.0 1692 1150 A 72 LEU HA A 71 MET HBx 1.0 1.8 6.0 1693 1151 A 72 LEU H A 72 LEU HBx 1.0 1.8 5.0 1694 1151 A 72 LEU H A 72 LEU HBy 1.0 1.8 5.0 1695 1152 A 72 LEU HA A 72 LEU HDy% 1.0 1.8 3.5 1696 1152 A 72 LEU HA A 72 LEU HDx% 1.0 1.8 3.5 1697 1153 A 72 LEU HBy A 72 LEU HDy% 1.0 1.8 2.7 1698 1153 A 72 LEU HBx A 72 LEU HDy% 1.0 1.8 2.7 1699 1153 A 72 LEU HDx% A 72 LEU HBx 1.0 1.8 2.7 1700 1153 A 72 LEU HBy A 72 LEU HDx% 1.0 1.8 2.7 1701 1154 A 73 GLY H A 72 LEU HDy% 1.0 1.8 5.0 1702 1154 A 73 GLY H A 72 LEU HDx% 1.0 1.8 5.0 1703 1155 A 72 LEU HDy% A 73 GLY HAx 1.0 1.8 5.0 1704 1155 A 73 GLY HAy A 72 LEU HDy% 1.0 1.8 5.0 1705 1155 A 73 GLY HAy A 72 LEU HDx% 1.0 1.8 5.0 1706 1155 A 72 LEU HDx% A 73 GLY HAx 1.0 1.8 5.0 1707 1156 A 7 ALA H A 11 HIS HD2 1.0 1.8 5.2 1708 1157 A 7 ALA HB% A 11 HIS HD2 1.0 1.8 3.8 1709 1158 A 11 HIS H A 11 HIS HD2 1.0 1.8 4.5 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 15 VAL H A 1 MET O 1.0 1.8 2.3 2 2 A 1 MET O A 15 VAL N 1.0 2.7 3.3 3 3 A 13 PHE H A 3 LEU O 1.0 1.8 2.3 4 4 A 3 LEU O A 13 PHE N 1.0 2.7 3.3 5 5 A 3 LEU H A 13 PHE O 1.0 1.8 2.3 6 6 A 13 PHE O A 3 LEU N 1.0 2.7 3.3 7 7 A 5 VAL H A 11 HIS O 1.0 1.8 2.3 8 8 A 11 HIS O A 5 VAL N 1.0 2.7 3.3 9 9 A 4 PHE H A 63 THR O 1.0 1.8 2.3 10 10 A 63 THR O A 4 PHE N 1.0 2.7 3.3 11 11 A 65 LEU H A 4 PHE O 1.0 1.8 2.3 12 12 A 4 PHE O A 65 LEU N 1.0 2.7 3.3 13 13 A 6 ARG H A 65 LEU O 1.0 1.8 2.3 14 14 A 65 LEU O A 6 ARG N 1.0 2.7 3.3 15 15 A 67 VAL H A 6 ARG O 1.0 1.8 2.3 16 16 A 6 ARG O A 67 VAL N 1.0 2.7 3.3 17 17 A 68 ALA H A 40 VAL O 1.0 1.8 2.3 18 18 A 40 VAL O A 68 ALA N 1.0 2.7 3.3 19 19 A 40 VAL H A 68 ALA O 1.0 1.8 2.3 20 20 A 68 ALA O A 40 VAL N 1.0 2.7 3.3 21 21 A 66 GLU H A 42 LEU O 1.0 1.8 2.3 22 22 A 42 LEU O A 66 GLU N 1.0 2.7 3.3 23 23 A 42 LEU H A 66 GLU O 1.0 1.8 2.3 24 24 A 66 GLU O A 42 LEU N 1.0 2.7 3.3 25 25 A 46 ALA H A 43 LEU O 1.0 1.8 2.3 26 26 A 43 LEU O A 46 ALA N 1.0 2.7 3.3 27 27 A 43 LEU H A 46 ALA O 1.0 1.8 2.3 28 28 A 46 ALA O A 43 LEU N 1.0 2.7 3.3 29 29 A 24 ILE H A 20 THR O 1.0 1.8 2.3 30 30 A 20 THR O A 24 ILE N 1.0 2.7 3.3 31 31 A 25 LYS H A 21 VAL O 1.0 1.8 2.3 32 32 A 21 VAL O A 25 LYS N 1.0 2.7 3.3 33 33 A 26 ALA H A 22 ALA O 1.0 1.8 2.3 34 34 A 22 ALA O A 26 ALA N 1.0 2.7 3.3 35 35 A 27 HIS H A 23 GLN O 1.0 1.8 2.3 36 36 A 23 GLN O A 27 HIS N 1.0 2.7 3.3 37 37 A 28 VAL H A 24 ILE O 1.0 1.8 2.3 38 38 A 24 ILE O A 28 VAL N 1.0 2.7 3.3 39 39 A 29 ALA H A 25 LYS O 1.0 1.8 2.3 40 40 A 25 LYS O A 29 ALA N 1.0 2.7 3.3 41 41 A 30 SER H A 26 ALA O 1.0 1.8 2.3 42 42 A 26 ALA O A 30 SER N 1.0 2.7 3.3 43 43 A 31 LEU H A 27 HIS O 1.0 1.8 2.3 44 44 A 27 HIS O A 31 LEU N 1.0 2.7 3.3 45 45 A 32 GLU H A 28 VAL O 1.0 1.8 2.3 46 46 A 28 VAL O A 32 GLU N 1.0 2.7 3.3 47 47 A 57 CYS H A 53 THR O 1.0 1.8 2.3 48 48 A 53 THR O A 57 CYS N 1.0 2.7 3.3 49 49 A 59 VAL H A 54 LEU O 1.0 1.8 2.3 50 50 A 54 LEU O A 59 VAL N 1.0 2.7 3.3 51 51 A 62 LEU H A 2 GLN O 1.0 1.8 2.3 52 52 A 2 GLN O A 62 LEU N 1.0 2.7 3.3 53 53 A 38 ASP H A 35 ALA O 1.0 1.8 2.3 54 54 A 35 ALA O A 38 ASP N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 GLN N A 2 GLN CA A 2 GLN C 1.0 -165.0 -45.0 PHI 2 2 A 2 GLN N A 2 GLN CA A 2 GLN C A 3 LEU N 1.0 82.5 167.5 PSI 3 3 A 2 GLN C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -160.0 -70.0 PHI 4 4 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 PHE N 1.0 120.5 165.5 PSI 5 5 A 3 LEU C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -154.0 -64.0 PHI 6 6 A 4 PHE N A 4 PHE CA A 4 PHE C A 5 VAL N 1.0 104.5 159.5 PSI 7 7 A 4 PHE C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -164.5 -89.5 PHI 8 8 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 ARG N 1.0 102.5 157.5 PSI 9 9 A 5 VAL C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -149.0 -69.0 PHI 10 10 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 ALA N 1.0 95.0 145.0 PSI 11 11 A 6 ARG C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -117.5 -52.5 PHI 12 12 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 GLN N 1.0 135.0 175.0 PSI 13 13 A 7 ALA C A 8 GLN N A 8 GLN CA A 8 GLN C 1.0 -135.5 -30.5 PHI 14 14 A 8 GLN N A 8 GLN CA A 8 GLN C A 9 GLU N 1.0 -62.5 -17.5 PSI 15 15 A 8 GLN C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -191.0 -81.0 PHI 16 16 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 LEU N 1.0 128.0 178.0 PSI 17 17 A 9 GLU C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -160.5 -45.5 PHI 18 18 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 HIS N 1.0 96.5 161.5 PSI 19 19 A 10 LEU C A 11 HIS N A 11 HIS CA A 11 HIS C 1.0 -153.0 -93.0 PHI 20 20 A 11 HIS N A 11 HIS CA A 11 HIS C A 12 THR N 1.0 115.5 160.5 PSI 21 21 A 11 HIS C A 12 THR N A 12 THR CA A 12 THR C 1.0 -156.5 -71.5 PHI 22 22 A 12 THR N A 12 THR CA A 12 THR C A 13 PHE N 1.0 112.5 147.5 PSI 23 23 A 12 THR C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -145.0 -95.0 PHI 24 24 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 GLU N 1.0 96.0 186.0 PSI 25 25 A 13 PHE C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -132.5 -77.5 PHI 26 26 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 VAL N 1.0 106.5 171.5 PSI 27 27 A 14 GLU C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -153.0 -113.0 PHI 28 28 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 THR N 1.0 118.0 198.0 PSI 29 29 A 20 THR C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -77.0 -47.0 PHI 30 30 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 ALA N 1.0 -58.0 -28.0 PSI 31 31 A 21 VAL C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -76.0 -46.0 PHI 32 32 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 GLN N 1.0 -58.0 -28.0 PSI 33 33 A 22 ALA C A 23 GLN N A 23 GLN CA A 23 GLN C 1.0 -78.0 -48.0 PHI 34 34 A 23 GLN N A 23 GLN CA A 23 GLN C A 24 ILE N 1.0 -61.0 -31.0 PSI 35 35 A 23 GLN C A 24 ILE N A 24 ILE CA A 24 ILE C 1.0 -82.0 -52.0 PHI 36 36 A 24 ILE N A 24 ILE CA A 24 ILE C A 25 LYS N 1.0 -56.5 -21.5 PSI 37 37 A 24 ILE C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -81.5 -46.5 PHI 38 38 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 ALA N 1.0 -60.0 -30.0 PSI 39 39 A 25 LYS C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -81.0 -51.0 PHI 40 40 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 HIS N 1.0 -55.5 -20.5 PSI 41 41 A 26 ALA C A 27 HIS N A 27 HIS CA A 27 HIS C 1.0 -83.0 -53.0 PHI 42 42 A 27 HIS N A 27 HIS CA A 27 HIS C A 28 VAL N 1.0 -60.5 -25.5 PSI 43 43 A 27 HIS C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -79.0 -49.0 PHI 44 44 A 28 VAL N A 28 VAL CA A 28 VAL C A 29 ALA N 1.0 -57.0 -27.0 PSI 45 45 A 28 VAL C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -76.5 -41.5 PHI 46 46 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 SER N 1.0 -61.5 -26.5 PSI 47 47 A 29 ALA C A 30 SER N A 30 SER CA A 30 SER C 1.0 -77.0 -47.0 PHI 48 48 A 30 SER N A 30 SER CA A 30 SER C A 31 LEU N 1.0 -56.0 -26.0 PSI 49 49 A 30 SER C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -80.0 -50.0 PHI 50 50 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 GLU N 1.0 -59.5 -14.5 PSI 51 51 A 31 LEU C A 32 GLU N A 32 GLU CA A 32 GLU C 1.0 -136.0 -56.0 PHI 52 52 A 32 GLU N A 32 GLU CA A 32 GLU C A 33 GLY N 1.0 -34.5 30.5 PSI 53 53 A 32 GLU C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 45.5 90.5 PHI 54 54 A 33 GLY N A 33 GLY CA A 33 GLY C A 34 ILE N 1.0 -1.5 73.5 PSI 55 55 A 33 GLY C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -155.5 -80.5 PHI 56 56 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 ALA N 1.0 124.5 179.5 PSI 57 57 A 34 ILE C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -121.5 -26.5 PHI 58 58 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 PRO N 1.0 88.0 178.0 PSI 59 59 A 36 PRO C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -89.5 -44.5 PHI 60 60 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 ASP N 1.0 -54.0 6.0 PSI 61 61 A 37 GLU C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -125.0 -65.0 PHI 62 62 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 GLN N 1.0 -53.0 27.0 PSI 63 63 A 38 ASP C A 39 GLN N A 39 GLN CA A 39 GLN C 1.0 -182.5 -77.5 PHI 64 64 A 39 GLN N A 39 GLN CA A 39 GLN C A 40 VAL N 1.0 124.0 184.0 PSI 65 65 A 39 GLN C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -168.0 -98.0 PHI 66 66 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 VAL N 1.0 105.5 180.5 PSI 67 67 A 40 VAL C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -144.0 -74.0 PHI 68 68 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 LEU N 1.0 102.0 152.0 PSI 69 69 A 41 VAL C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -151.5 -66.5 PHI 70 70 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 LEU N 1.0 103.5 178.5 PSI 71 71 A 42 LEU C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -170.0 -80.0 PHI 72 72 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 ALA N 1.0 100.0 140.0 PSI 73 73 A 43 LEU C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 37.5 72.5 PHI 74 74 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 GLY N 1.0 23.5 58.5 PSI 75 75 A 44 ALA C A 45 GLY N A 45 GLY CA A 45 GLY C 1.0 51.5 106.5 PHI 76 76 A 45 GLY N A 45 GLY CA A 45 GLY C A 46 ALA N 1.0 -36.5 38.5 PSI 77 77 A 45 GLY C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -152.5 -47.5 PHI 78 78 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 PRO N 1.0 75.5 170.5 PSI 79 79 A 47 PRO C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -164.5 -69.5 PHI 80 80 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 GLU N 1.0 89.0 179.0 PSI 81 81 A 48 LEU C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -113.5 -48.5 PHI 82 82 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 ASP N 1.0 81.0 201.0 PSI 83 83 A 49 GLU C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -72.0 -42.0 PHI 84 84 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 GLU N 1.0 -55.5 -10.5 PSI 85 85 A 50 ASP C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -116.5 -61.5 PHI 86 86 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 ALA N 1.0 -25.0 15.0 PSI 87 87 A 51 GLU C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -146.0 -26.0 PHI 88 88 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 THR N 1.0 133.0 173.0 PSI 89 89 A 52 ALA C A 53 THR N A 53 THR CA A 53 THR C 1.0 -139.0 -49.0 PHI 90 90 A 53 THR N A 53 THR CA A 53 THR C A 54 LEU N 1.0 154.0 184.0 PSI 91 91 A 53 THR C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -77.5 -42.5 PHI 92 92 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 GLY N 1.0 -61.0 -11.0 PSI 93 93 A 54 LEU C A 55 GLY N A 55 GLY CA A 55 GLY C 1.0 -81.0 -51.0 PHI 94 94 A 55 GLY N A 55 GLY CA A 55 GLY C A 56 GLN N 1.0 -54.0 -24.0 PSI 95 95 A 55 GLY C A 56 GLN N A 56 GLN CA A 56 GLN C 1.0 -84.0 -54.0 PHI 96 96 A 56 GLN N A 56 GLN CA A 56 GLN C A 57 CYS N 1.0 -62.5 -7.5 PSI 97 97 A 56 GLN C A 57 CYS N A 57 CYS CA A 57 CYS C 1.0 -114.0 -64.0 PHI 98 98 A 57 CYS N A 57 CYS CA A 57 CYS C A 58 GLY N 1.0 -34.5 40.5 PSI 99 99 A 57 CYS C A 58 GLY N A 58 GLY CA A 58 GLY C 1.0 39.5 124.5 PHI 100 100 A 58 GLY N A 58 GLY CA A 58 GLY C A 59 VAL N 1.0 -31.0 59.0 PSI 101 101 A 58 GLY C A 59 VAL N A 59 VAL CA A 59 VAL C 1.0 -110.5 -55.5 PHI 102 102 A 59 VAL N A 59 VAL CA A 59 VAL C A 60 GLU N 1.0 92.5 177.5 PSI 103 103 A 59 VAL C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -166.5 -71.5 PHI 104 104 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 ALA N 1.0 131.5 196.5 PSI 105 105 A 62 LEU C A 63 THR N A 63 THR CA A 63 THR C 1.0 -119.0 -59.0 PHI 106 106 A 63 THR N A 63 THR CA A 63 THR C A 64 THR N 1.0 102.5 167.5 PSI 107 107 A 63 THR C A 64 THR N A 64 THR CA A 64 THR C 1.0 -152.5 -67.5 PHI 108 108 A 64 THR N A 64 THR CA A 64 THR C A 65 LEU N 1.0 93.5 178.5 PSI 109 109 A 64 THR C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -167.0 -57.0 PHI 110 110 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 GLU N 1.0 84.5 189.5 PSI 111 111 A 65 LEU C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -141.5 -96.5 PHI 112 112 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 VAL N 1.0 109.5 164.5 PSI 113 113 A 66 GLU C A 67 VAL N A 67 VAL CA A 67 VAL C 1.0 -148.5 -63.5 PHI 114 114 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 ALA N 1.0 93.5 148.5 PSI 115 115 A 67 VAL C A 68 ALA N A 68 ALA CA A 68 ALA C 1.0 -173.0 -73.0 PHI 116 116 A 68 ALA N A 68 ALA CA A 68 ALA C A 69 GLY N 1.0 122.0 192.0 PSI 117 117 A 68 ALA C A 69 GLY N A 69 GLY CA A 69 GLY C 1.0 -133.0 -13.0 PHI 118 118 A 69 GLY N A 69 GLY CA A 69 GLY C A 70 ARG N 1.0 92.0 212.0 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 2757.238 2 1H 12004.802 3 1H 4005.432 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 14488.108 2 1H 11203.133 3 1H 4490.443 stop_ save_