data_nef_c18390_2lrq save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET . . . 2 A 2 ASN . . . 3 A 3 TYR . . . 4 A 4 SER . . . 5 A 5 THR . . . 6 A 6 GLY . . . 7 A 7 THR . . . 8 A 8 ASP . . . 9 A 9 ALA . . . 10 A 10 ASN . . . 11 A 11 THR . . . 12 A 12 LEU . . . 13 A 13 PHE . . . 14 A 14 VAL . . . 15 A 15 ASP . . . 16 A 16 GLY . . . 17 A 17 GLU . . . 18 A 18 ARG . . . 19 A 19 VAL . . . 20 A 20 LEU . . . 21 A 21 CYS . . . 22 A 22 PHE . . . 23 A 23 HIS . . . 24 A 24 GLY . . . 25 A 25 PRO . . . 26 A 26 LEU . . . 27 A 27 ILE . . . 28 A 28 TYR . . . 29 A 29 GLU . . . 30 A 30 ALA . . . 31 A 31 LYS . . . 32 A 32 VAL . . . 33 A 33 LEU . . . 34 A 34 LYS . . . 35 A 35 THR . . . 36 A 36 LYS . . . 37 A 37 PRO . . . 38 A 38 ASP . . . 39 A 39 ALA . . . 40 A 40 THR . . . 41 A 41 PRO . . . 42 A 42 VAL . . . 43 A 43 GLU . . . 44 A 44 TYR . . . 45 A 45 TYR . . . 46 A 46 ILE . . . 47 A 47 HIS . . . 48 A 48 TYR . . . 49 A 49 ALA . . . 50 A 50 GLY . . . 51 A 51 TRP . . . 52 A 52 SER . . . 53 A 53 LYS . . . 54 A 54 ASN . . . 55 A 55 TRP . . . 56 A 56 ASP . . . 57 A 57 GLU . . . 58 A 58 TRP . . . 59 A 59 VAL . . . 60 A 60 PRO . . . 61 A 61 GLU . . . 62 A 62 ASN . . . 63 A 63 ARG . . . 64 A 64 VAL . . . 65 A 65 LEU . . . 66 A 66 LYS . . . 67 A 67 TYR . . . 68 A 68 ASN . . . 69 A 69 ASP . . . 70 A 70 ASP . . . 71 A 71 ASN . . . 72 A 72 VAL . . . 73 A 73 LYS . . . 74 A 74 ARG . . . 75 A 75 ARG . . . 76 A 76 GLN . . . 77 A 77 GLU . . . 78 A 78 LEU . . . 79 A 79 ALA . . . 80 A 80 ARG . . . 81 A 81 GLN . . . 82 A 82 CYS . . . 83 A 83 GLY . . . 84 A 84 GLU . . . 85 A 85 ARG . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H1 H 1 8.302 0.034 A 1 MET HA H 1 4.355 0.034 A 1 MET HBx H 1 2.365 0.034 A 1 MET HBy H 1 2.365 0.034 A 1 MET C C 13 176.559 0.100 A 1 MET CA C 13 55.344 0.035 A 1 MET CB C 13 39.480 0.035 A 1 MET N N 15 121.584 0.014 A 2 ASN H H 1 8.437 0.003 A 2 ASN HBx H 1 2.712 0.034 A 2 ASN HBy H 1 2.712 0.034 A 2 ASN C C 13 175.868 0.100 A 2 ASN CA C 13 53.057 0.035 A 2 ASN CB C 13 39.102 0.035 A 2 ASN N N 15 120.125 0.023 A 3 TYR H H 1 8.139 0.003 A 3 TYR HA H 1 4.584 0.007 A 3 TYR HBx H 1 2.916 0.003 A 3 TYR HBy H 1 3.088 0.005 A 3 TYR C C 13 176.950 0.100 A 3 TYR CA C 13 58.017 0.128 A 3 TYR CB C 13 39.087 0.080 A 3 TYR N N 15 120.873 0.016 A 4 SER H H 1 8.298 0.004 A 4 SER HA H 1 4.515 0.034 A 4 SER HBx H 1 3.847 0.003 A 4 SER HBy H 1 3.847 0.003 A 4 SER C C 13 175.812 0.100 A 4 SER CA C 13 58.305 0.035 A 4 SER CB C 13 64.336 0.102 A 4 SER N N 15 117.320 0.043 A 5 THR H H 1 8.213 0.003 A 5 THR HA H 1 4.379 0.034 A 5 THR HB H 1 4.298 0.003 A 5 THR HG2% H 1 1.214 0.004 A 5 THR C C 13 176.355 0.100 A 5 THR CA C 13 62.094 0.010 A 5 THR CB C 13 70.114 0.113 A 5 THR CG2 C 13 21.745 0.064 A 5 THR N N 15 115.184 0.015 A 6 GLY H H 1 8.410 0.003 A 6 GLY HAx H 1 3.996 0.034 A 6 GLY HAy H 1 3.996 0.034 A 6 GLY C C 13 175.537 0.100 A 6 GLY CA C 13 45.467 0.035 A 6 GLY N N 15 111.050 0.019 A 7 THR H H 1 8.080 0.003 A 7 THR HA H 1 4.312 0.062 A 7 THR HB H 1 4.252 0.003 A 7 THR HG2% H 1 1.166 0.004 A 7 THR C C 13 175.440 0.100 A 7 THR CA C 13 61.878 0.011 A 7 THR CB C 13 70.150 0.108 A 7 THR CG2 C 13 21.614 0.046 A 7 THR N N 15 113.255 0.058 A 8 ASP H H 1 8.369 0.003 A 8 ASP HA H 1 4.599 0.008 A 8 ASP HBx H 1 2.613 0.034 A 8 ASP HBy H 1 2.689 0.001 A 8 ASP C C 13 176.828 0.100 A 8 ASP CA C 13 54.525 0.102 A 8 ASP CB C 13 41.441 0.016 A 8 ASP N N 15 122.616 0.014 A 9 ALA H H 1 8.185 0.003 A 9 ALA HA H 1 4.331 0.003 A 9 ALA HB% H 1 1.385 0.006 A 9 ALA C C 13 178.412 0.100 A 9 ALA CA C 13 52.445 0.111 A 9 ALA CB C 13 19.869 0.018 A 9 ALA N N 15 123.931 0.015 A 10 ASN H H 1 8.487 0.009 A 10 ASN HA H 1 4.781 0.016 A 10 ASN HBx H 1 2.834 0.001 A 10 ASN HBy H 1 2.834 0.001 A 10 ASN C C 13 176.383 0.100 A 10 ASN CA C 13 53.350 0.121 A 10 ASN CB C 13 39.319 0.023 A 10 ASN N N 15 118.378 0.018 A 11 THR H H 1 7.678 0.011 A 11 THR HA H 1 4.583 0.002 A 11 THR HB H 1 5.050 0.004 A 11 THR HG2% H 1 1.280 0.005 A 11 THR C C 13 175.684 0.100 A 11 THR CA C 13 60.530 0.101 A 11 THR CB C 13 70.622 0.085 A 11 THR CG2 C 13 22.703 0.054 A 11 THR N N 15 110.937 0.010 A 12 LEU H H 1 8.671 0.009 A 12 LEU HA H 1 3.831 0.003 A 12 LEU HBx H 1 1.262 0.001 A 12 LEU HBy H 1 1.402 0.003 A 12 LEU HD1% H 1 0.720 0.010 A 12 LEU HD2% H 1 0.710 0.007 A 12 LEU C C 13 177.582 0.100 A 12 LEU CA C 13 57.409 0.126 A 12 LEU CB C 13 42.819 0.146 A 12 LEU CDx C 13 23.353 0.036 A 12 LEU CDy C 13 25.426 0.078 A 12 LEU N N 15 122.990 0.031 A 13 PHE H H 1 7.488 0.006 A 13 PHE HA H 1 5.100 0.001 A 13 PHE HBx H 1 2.098 0.004 A 13 PHE HBy H 1 2.444 0.004 A 13 PHE HDx H 1 6.843 0.006 A 13 PHE HDy H 1 6.843 0.006 A 13 PHE HEx H 1 6.985 0.003 A 13 PHE HEy H 1 6.985 0.003 A 13 PHE C C 13 175.816 0.100 A 13 PHE CA C 13 55.102 0.114 A 13 PHE CB C 13 40.671 0.112 A 13 PHE CDx C 13 132.080 0.004 A 13 PHE CEx C 13 130.968 0.094 A 13 PHE N N 15 114.740 0.021 A 14 VAL H H 1 8.372 0.003 A 14 VAL HA H 1 4.910 0.004 A 14 VAL HB H 1 2.257 0.005 A 14 VAL HG1% H 1 0.863 0.008 A 14 VAL HG2% H 1 0.853 0.005 A 14 VAL C C 13 176.083 0.100 A 14 VAL CA C 13 58.834 0.060 A 14 VAL CB C 13 36.149 0.058 A 14 VAL CGy C 13 21.626 0.026 A 14 VAL CGx C 13 18.521 0.042 A 14 VAL N N 15 113.431 0.052 A 15 ASP H H 1 8.068 0.007 A 15 ASP HA H 1 3.941 0.003 A 15 ASP HBx H 1 2.474 0.004 A 15 ASP HBy H 1 2.474 0.004 A 15 ASP C C 13 178.825 0.100 A 15 ASP CA C 13 56.493 0.100 A 15 ASP CB C 13 40.066 0.075 A 15 ASP N N 15 120.209 0.026 A 16 GLY H H 1 9.158 0.003 A 16 GLY HAx H 1 3.576 0.008 A 16 GLY HAy H 1 4.277 0.003 A 16 GLY C C 13 174.928 0.100 A 16 GLY CA C 13 45.060 0.011 A 16 GLY N N 15 112.740 0.024 A 17 GLU H H 1 8.234 0.003 A 17 GLU HA H 1 3.995 0.010 A 17 GLU HGx H 1 2.350 0.034 A 17 GLU HGy H 1 2.350 0.034 A 17 GLU C C 13 176.895 0.100 A 17 GLU CA C 13 57.773 0.035 A 17 GLU CB C 13 31.588 0.035 A 17 GLU CG C 13 35.648 0.108 A 17 GLU N N 15 124.150 0.018 A 18 ARG H H 1 8.447 0.011 A 18 ARG HA H 1 4.648 0.011 A 18 ARG HBx H 1 1.736 0.017 A 18 ARG HBy H 1 1.736 0.017 A 18 ARG HDx H 1 2.610 0.001 A 18 ARG HDy H 1 2.610 0.001 A 18 ARG HGx H 1 1.184 0.007 A 18 ARG HGy H 1 1.636 0.022 A 18 ARG C C 13 176.233 0.100 A 18 ARG CA C 13 56.400 0.003 A 18 ARG CB C 13 30.400 0.037 A 18 ARG CD C 13 43.667 0.056 A 18 ARG CG C 13 26.677 0.152 A 18 ARG N N 15 127.394 0.045 A 19 VAL H H 1 8.633 0.002 A 19 VAL HA H 1 4.889 0.003 A 19 VAL HB H 1 2.176 0.004 A 19 VAL HG1% H 1 0.503 0.006 A 19 VAL HG2% H 1 0.112 0.011 A 19 VAL C C 13 175.112 0.100 A 19 VAL CA C 13 59.728 0.075 A 19 VAL CB C 13 35.971 0.086 A 19 VAL CGy C 13 23.176 0.025 A 19 VAL CGx C 13 17.743 0.045 A 19 VAL N N 15 120.632 0.034 A 20 LEU H H 1 8.417 0.003 A 20 LEU HA H 1 5.016 0.006 A 20 LEU HBx H 1 0.968 0.008 A 20 LEU HBy H 1 1.265 0.005 A 20 LEU HD1% H 1 0.484 0.011 A 20 LEU HD2% H 1 0.631 0.003 A 20 LEU HG H 1 1.348 0.034 A 20 LEU C C 13 176.297 0.100 A 20 LEU CA C 13 53.232 0.102 A 20 LEU CB C 13 43.991 0.021 A 20 LEU CDy C 13 26.764 0.086 A 20 LEU CDx C 13 23.573 0.174 A 20 LEU CG C 13 26.921 0.004 A 20 LEU N N 15 119.290 0.034 A 21 CYS H H 1 9.277 0.006 A 21 CYS HA H 1 5.329 0.004 A 21 CYS HBx H 1 2.011 0.013 A 21 CYS HBy H 1 2.552 0.005 A 21 CYS C C 13 175.768 0.100 A 21 CYS CA C 13 57.557 0.047 A 21 CYS CB C 13 30.621 0.097 A 21 CYS N N 15 121.012 0.030 A 22 PHE H H 1 9.132 0.003 A 22 PHE HA H 1 5.062 0.006 A 22 PHE HBx H 1 2.816 0.010 A 22 PHE HBy H 1 3.286 0.005 A 22 PHE HEx H 1 7.210 0.007 A 22 PHE HEy H 1 7.210 0.007 A 22 PHE C C 13 178.470 0.100 A 22 PHE CA C 13 59.627 0.016 A 22 PHE CB C 13 41.220 0.134 A 22 PHE CEy C 13 132.207 0.042 A 22 PHE N N 15 128.509 0.018 A 23 HIS H H 1 9.025 0.002 A 23 HIS N N 15 123.679 0.011 A 25 PRO C C 13 176.332 0.100 A 26 LEU H H 1 6.785 0.002 A 26 LEU HA H 1 4.524 0.009 A 26 LEU HBx H 1 1.089 0.007 A 26 LEU HBy H 1 1.685 0.006 A 26 LEU HD1% H 1 0.906 0.003 A 26 LEU HD2% H 1 0.761 0.008 A 26 LEU HG H 1 1.369 0.034 A 26 LEU C C 13 174.816 0.100 A 26 LEU CA C 13 53.718 0.089 A 26 LEU CB C 13 44.861 0.054 A 26 LEU CDy C 13 25.827 0.064 A 26 LEU CDx C 13 23.681 0.119 A 26 LEU CG C 13 27.873 0.019 A 26 LEU N N 15 117.460 0.001 A 27 ILE H H 1 7.404 0.004 A 27 ILE HA H 1 3.887 0.007 A 27 ILE HB H 1 0.898 0.006 A 27 ILE HD1% H 1 0.197 0.015 A 27 ILE HG1x H 1 -0.844 0.009 A 27 ILE HG1y H 1 0.753 0.007 A 27 ILE HG2% H 1 0.278 0.007 A 27 ILE C C 13 175.799 0.100 A 27 ILE CA C 13 60.413 0.057 A 27 ILE CB C 13 40.357 0.078 A 27 ILE CD1 C 13 14.155 0.056 A 27 ILE CG1 C 13 26.751 0.064 A 27 ILE CG2 C 13 21.014 0.036 A 27 ILE N N 15 116.195 0.034 A 28 TYR H H 1 8.608 0.008 A 28 TYR HA H 1 4.609 0.007 A 28 TYR HBx H 1 2.420 0.007 A 28 TYR HBy H 1 3.235 0.008 A 28 TYR HDx H 1 7.094 0.006 A 28 TYR HDy H 1 7.094 0.006 A 28 TYR HEx H 1 6.991 0.034 A 28 TYR HEy H 1 6.991 0.034 A 28 TYR C C 13 176.620 0.100 A 28 TYR CA C 13 56.903 0.035 A 28 TYR CB C 13 42.782 0.080 A 28 TYR CDx C 13 133.303 0.080 A 28 TYR CEx C 13 118.352 0.035 A 28 TYR N N 15 124.078 0.039 A 29 GLU H H 1 8.779 0.005 A 29 GLU HA H 1 4.495 0.004 A 29 GLU HGx H 1 2.310 0.034 A 29 GLU HGy H 1 2.310 0.034 A 29 GLU C C 13 176.879 0.100 A 29 GLU CA C 13 57.703 0.051 A 29 GLU CB C 13 29.591 0.035 A 29 GLU CG C 13 37.118 0.123 A 29 GLU N N 15 121.988 0.013 A 30 ALA H H 1 9.039 0.006 A 30 ALA HA H 1 4.888 0.005 A 30 ALA HB% H 1 0.779 0.006 A 30 ALA C C 13 176.487 0.100 A 30 ALA CA C 13 51.500 0.091 A 30 ALA CB C 13 24.679 0.043 A 30 ALA N N 15 128.879 0.016 A 31 LYS H H 1 8.654 0.003 A 31 LYS HA H 1 5.108 0.005 A 31 LYS HBx H 1 1.568 0.034 A 31 LYS HBy H 1 1.568 0.034 A 31 LYS HDx H 1 1.127 0.003 A 31 LYS HDy H 1 1.127 0.003 A 31 LYS HEx H 1 2.859 0.001 A 31 LYS HEy H 1 2.859 0.001 A 31 LYS HGx H 1 1.554 0.001 A 31 LYS HGy H 1 1.554 0.001 A 31 LYS C C 13 176.028 0.100 A 31 LYS CA C 13 54.700 0.035 A 31 LYS CB C 13 37.188 0.086 A 31 LYS CD C 13 24.771 0.071 A 31 LYS CE C 13 42.044 0.032 A 31 LYS CG C 13 29.517 0.144 A 31 LYS N N 15 121.450 0.042 A 32 VAL H H 1 8.133 0.004 A 32 VAL HA H 1 3.807 0.003 A 32 VAL HB H 1 2.296 0.007 A 32 VAL HG1% H 1 0.914 0.005 A 32 VAL HG2% H 1 0.544 0.006 A 32 VAL C C 13 177.671 0.100 A 32 VAL CA C 13 63.257 0.059 A 32 VAL CB C 13 32.545 0.093 A 32 VAL CGy C 13 23.460 0.049 A 32 VAL CGx C 13 21.656 0.032 A 32 VAL N N 15 124.316 0.055 A 33 LEU H H 1 9.819 0.008 A 33 LEU HA H 1 4.553 0.002 A 33 LEU HBx H 1 1.540 0.005 A 33 LEU HBy H 1 1.816 0.004 A 33 LEU HD1% H 1 0.700 0.007 A 33 LEU HD2% H 1 0.712 0.006 A 33 LEU HG H 1 1.571 0.005 A 33 LEU C C 13 178.378 0.100 A 33 LEU CA C 13 55.903 0.129 A 33 LEU CB C 13 43.831 0.082 A 33 LEU CDy C 13 25.757 0.057 A 33 LEU CDx C 13 22.446 0.164 A 33 LEU CG C 13 27.169 0.021 A 33 LEU N N 15 128.950 0.036 A 34 LYS H H 1 7.568 0.002 A 34 LYS HA H 1 4.841 0.003 A 34 LYS HBx H 1 1.643 0.004 A 34 LYS HBy H 1 1.968 0.004 A 34 LYS HDx H 1 1.415 0.006 A 34 LYS HDy H 1 1.581 0.013 A 34 LYS HEx H 1 2.865 0.005 A 34 LYS HEy H 1 2.865 0.005 A 34 LYS HGx H 1 1.567 0.034 A 34 LYS C C 13 175.986 0.100 A 34 LYS CA C 13 55.223 0.035 A 34 LYS CB C 13 37.545 0.097 A 34 LYS CD C 13 25.272 0.087 A 34 LYS CE C 13 42.156 0.139 A 34 LYS CG C 13 29.455 0.150 A 34 LYS N N 15 115.715 0.026 A 35 THR H H 1 9.155 0.004 A 35 THR HA H 1 5.080 0.005 A 35 THR HB H 1 3.990 0.005 A 35 THR HG2% H 1 1.253 0.005 A 35 THR C C 13 174.731 0.100 A 35 THR CA C 13 62.383 0.112 A 35 THR CB C 13 72.197 0.071 A 35 THR CG2 C 13 21.948 0.011 A 35 THR N N 15 117.005 0.023 A 36 LYS H H 1 8.846 0.003 A 36 LYS HA H 1 4.907 0.004 A 36 LYS HBx H 1 1.379 0.004 A 36 LYS HBy H 1 1.706 0.005 A 36 LYS HDx H 1 1.120 0.002 A 36 LYS HDy H 1 1.120 0.002 A 36 LYS HEx H 1 1.652 0.009 A 36 LYS HEy H 1 2.073 0.006 A 36 LYS HGx H 1 0.803 0.003 A 36 LYS HGy H 1 1.156 0.004 A 36 LYS CA C 13 53.862 0.010 A 36 LYS CB C 13 34.232 0.061 A 36 LYS CD C 13 25.093 0.035 A 36 LYS CE C 13 41.219 0.067 A 36 LYS CG C 13 29.514 0.005 A 36 LYS N N 15 125.603 0.024 A 37 PRO HA H 1 4.416 0.007 A 37 PRO HBx H 1 2.147 0.012 A 37 PRO HBy H 1 2.147 0.012 A 37 PRO HDy H 1 3.859 0.003 A 37 PRO HDx H 1 3.633 0.004 A 37 PRO HGx H 1 1.972 0.009 A 37 PRO HGy H 1 1.972 0.009 A 37 PRO C C 13 176.959 0.100 A 37 PRO CA C 13 64.125 0.039 A 37 PRO CB C 13 32.664 0.082 A 37 PRO CD C 13 50.906 0.082 A 37 PRO CG C 13 26.833 0.096 A 38 ASP H H 1 8.551 0.010 A 38 ASP HA H 1 4.567 0.004 A 38 ASP HBx H 1 2.619 0.003 A 38 ASP HBy H 1 2.619 0.003 A 38 ASP C C 13 176.646 0.100 A 38 ASP CA C 13 53.325 0.068 A 38 ASP CB C 13 40.258 0.067 A 38 ASP N N 15 115.739 0.029 A 39 ALA H H 1 7.046 0.011 A 39 ALA HA H 1 4.316 0.002 A 39 ALA HB% H 1 1.298 0.003 A 39 ALA C C 13 176.657 0.100 A 39 ALA CA C 13 51.618 0.119 A 39 ALA CB C 13 21.131 0.050 A 39 ALA N N 15 124.181 0.017 A 40 THR H H 1 8.078 0.008 A 40 THR HA H 1 4.482 0.003 A 40 THR HB H 1 3.971 0.002 A 40 THR HG2% H 1 1.110 0.006 A 40 THR CA C 13 58.212 0.046 A 40 THR CB C 13 71.489 0.053 A 40 THR CG2 C 13 20.547 0.137 A 40 THR N N 15 113.038 0.018 A 41 PRO HA H 1 4.022 0.034 A 41 PRO HBx H 1 2.578 0.012 A 41 PRO C C 13 175.099 0.100 A 41 PRO CA C 13 63.246 0.035 A 41 PRO CB C 13 35.560 0.045 A 41 PRO CG C 13 25.396 0.035 A 42 VAL H H 1 8.174 0.005 A 42 VAL HA H 1 3.523 0.005 A 42 VAL HB H 1 1.885 0.004 A 42 VAL HG1% H 1 0.622 0.007 A 42 VAL HG2% H 1 1.224 0.005 A 42 VAL C C 13 175.843 0.100 A 42 VAL CA C 13 64.893 0.028 A 42 VAL CB C 13 32.586 0.042 A 42 VAL CGx C 13 21.489 0.031 A 42 VAL CGy C 13 23.422 0.066 A 42 VAL N N 15 120.912 0.070 A 43 GLU H H 1 6.519 0.008 A 43 GLU HA H 1 5.393 0.011 A 43 GLU HBx H 1 1.661 0.008 A 43 GLU HBy H 1 2.172 0.015 A 43 GLU HGx H 1 1.928 0.009 A 43 GLU HGy H 1 2.319 0.008 A 43 GLU C C 13 175.529 0.100 A 43 GLU CA C 13 53.700 0.110 A 43 GLU CB C 13 35.351 0.090 A 43 GLU CG C 13 36.289 0.092 A 43 GLU N N 15 120.415 0.028 A 44 TYR H H 1 9.280 0.011 A 44 TYR HA H 1 5.269 0.008 A 44 TYR HBx H 1 2.452 0.006 A 44 TYR HBy H 1 2.878 0.003 A 44 TYR HDx H 1 7.043 0.011 A 44 TYR HDy H 1 7.043 0.011 A 44 TYR HEx H 1 6.924 0.034 A 44 TYR HEy H 1 6.924 0.034 A 44 TYR C C 13 174.575 0.100 A 44 TYR CA C 13 56.891 0.080 A 44 TYR CB C 13 42.731 0.107 A 44 TYR CDy C 13 133.417 0.098 A 44 TYR CEy C 13 118.739 0.035 A 44 TYR N N 15 118.015 0.048 A 45 TYR H H 1 8.957 0.005 A 45 TYR HA H 1 4.232 0.006 A 45 TYR HBx H 1 0.089 0.007 A 45 TYR HBy H 1 2.061 0.007 A 45 TYR HDx H 1 5.677 0.006 A 45 TYR HDy H 1 5.677 0.006 A 45 TYR HEx H 1 6.475 0.008 A 45 TYR HEy H 1 6.475 0.008 A 45 TYR C C 13 174.947 0.100 A 45 TYR CA C 13 56.737 0.114 A 45 TYR CB C 13 37.601 0.068 A 45 TYR CDy C 13 132.190 0.016 A 45 TYR CEy C 13 117.046 0.006 A 45 TYR N N 15 129.018 0.043 A 46 ILE H H 1 8.515 0.006 A 46 ILE HA H 1 4.426 0.008 A 46 ILE HB H 1 1.536 0.006 A 46 ILE HD1% H 1 0.193 0.008 A 46 ILE HG1x H 1 1.143 0.002 A 46 ILE HG1y H 1 1.277 0.005 A 46 ILE HG2% H 1 -0.082 0.009 A 46 ILE C C 13 174.931 0.100 A 46 ILE CA C 13 57.489 0.031 A 46 ILE CB C 13 40.021 0.044 A 46 ILE CD1 C 13 11.569 0.059 A 46 ILE CG1 C 13 26.495 0.019 A 46 ILE CG2 C 13 17.292 0.171 A 46 ILE N N 15 129.061 0.041 A 47 HIS H H 1 7.801 0.004 A 47 HIS HA H 1 4.875 0.034 A 47 HIS HD2 H 1 6.916 0.004 A 47 HIS C C 13 175.289 0.100 A 47 HIS CA C 13 53.359 0.035 A 47 HIS CB C 13 31.601 0.054 A 47 HIS CD2 C 13 119.496 0.014 A 47 HIS N N 15 118.453 0.051 A 48 TYR H H 1 7.993 0.006 A 48 TYR HA H 1 3.771 0.004 A 48 TYR HDx H 1 6.482 0.001 A 48 TYR HDy H 1 6.482 0.001 A 48 TYR HEx H 1 6.416 0.034 A 48 TYR HEy H 1 6.416 0.034 A 48 TYR C C 13 176.065 0.100 A 48 TYR CB C 13 37.242 0.035 A 48 TYR CDx C 13 132.921 0.020 A 48 TYR CEx C 13 116.840 0.035 A 48 TYR N N 15 128.932 0.027 A 49 ALA H H 1 7.840 0.003 A 49 ALA HA H 1 3.938 0.007 A 49 ALA HB% H 1 1.147 0.002 A 49 ALA CA C 13 53.492 0.047 A 49 ALA CB C 13 18.361 0.075 A 49 ALA N N 15 125.452 0.033 A 50 GLY HAy H 1 4.199 0.001 A 50 GLY C C 13 175.551 0.100 A 50 GLY CA C 13 45.555 0.035 A 51 TRP H H 1 8.068 0.003 A 51 TRP HA H 1 4.961 0.005 A 51 TRP HBx H 1 3.058 0.002 A 51 TRP HBy H 1 3.161 0.015 A 51 TRP HD1 H 1 6.761 0.002 A 51 TRP HE1 H 1 9.172 0.002 A 51 TRP CA C 13 55.104 0.005 A 51 TRP CB C 13 31.237 0.035 A 51 TRP CD1 C 13 124.332 0.035 A 51 TRP N N 15 122.122 0.018 A 51 TRP NE1 N 15 126.052 0.006 A 53 LYS HA H 1 4.539 0.001 A 53 LYS HBx H 1 1.918 0.001 A 53 LYS HBy H 1 1.918 0.001 A 53 LYS HDx H 1 1.507 0.005 A 53 LYS HDy H 1 1.507 0.005 A 53 LYS HEx H 1 2.974 0.034 A 53 LYS HEy H 1 2.974 0.034 A 53 LYS HGx H 1 1.665 0.034 A 53 LYS HGy H 1 1.665 0.034 A 53 LYS C C 13 178.701 0.100 A 53 LYS CA C 13 58.133 0.035 A 53 LYS CB C 13 32.367 0.071 A 53 LYS CD C 13 24.571 0.112 A 53 LYS CE C 13 41.899 0.035 A 53 LYS CG C 13 29.393 0.136 A 54 ASN H H 1 8.436 0.004 A 54 ASN HA H 1 4.358 0.006 A 54 ASN HBx H 1 1.848 0.034 A 54 ASN HBy H 1 2.362 0.034 A 54 ASN C C 13 176.691 0.100 A 54 ASN CA C 13 55.481 0.118 A 54 ASN CB C 13 37.442 0.035 A 54 ASN N N 15 117.944 0.045 A 55 TRP H H 1 7.625 0.007 A 55 TRP HA H 1 4.736 0.021 A 55 TRP HBx H 1 3.447 0.004 A 55 TRP HBy H 1 3.624 0.005 A 55 TRP HD1 H 1 7.366 0.006 A 55 TRP HE1 H 1 9.912 0.003 A 55 TRP C C 13 176.142 0.100 A 55 TRP CB C 13 30.414 0.078 A 55 TRP CD1 C 13 127.502 0.011 A 55 TRP N N 15 118.384 0.050 A 55 TRP NE1 N 15 127.765 0.014 A 56 ASP H H 1 7.554 0.005 A 56 ASP HA H 1 4.857 0.005 A 56 ASP HBx H 1 2.055 0.003 A 56 ASP HBy H 1 2.675 0.006 A 56 ASP C C 13 178.016 0.100 A 56 ASP CA C 13 55.569 0.124 A 56 ASP CB C 13 38.656 0.005 A 56 ASP N N 15 121.933 0.034 A 57 GLU H H 1 7.735 0.005 A 57 GLU HA H 1 4.833 0.016 A 57 GLU HBx H 1 2.159 0.007 A 57 GLU HBy H 1 2.159 0.007 A 57 GLU HGx H 1 2.264 0.010 A 57 GLU HGy H 1 2.696 0.009 A 57 GLU C C 13 175.753 0.100 A 57 GLU CA C 13 54.857 0.061 A 57 GLU CG C 13 34.174 0.076 A 57 GLU N N 15 117.357 0.034 A 58 TRP H H 1 8.842 0.003 A 58 TRP HA H 1 5.326 0.009 A 58 TRP HBx H 1 3.229 0.006 A 58 TRP HBy H 1 3.229 0.006 A 58 TRP HD1 H 1 7.490 0.007 A 58 TRP HE1 H 1 9.954 0.011 A 58 TRP HZ2 H 1 7.197 0.002 A 58 TRP C C 13 178.360 0.100 A 58 TRP CA C 13 57.439 0.035 A 58 TRP CB C 13 29.922 0.136 A 58 TRP CD1 C 13 127.975 0.041 A 58 TRP CZ2 C 13 114.632 0.021 A 58 TRP N N 15 122.189 0.030 A 58 TRP NE1 N 15 130.327 0.014 A 59 VAL H H 1 10.069 0.009 A 59 VAL HA H 1 4.952 0.008 A 59 VAL HB H 1 2.058 0.004 A 59 VAL HG1% H 1 1.032 0.004 A 59 VAL HG2% H 1 0.956 0.003 A 59 VAL CA C 13 58.253 0.088 A 59 VAL CB C 13 35.141 0.057 A 59 VAL CGy C 13 21.941 0.067 A 59 VAL CGx C 13 21.165 0.050 A 59 VAL N N 15 122.442 0.041 A 60 PRO HA H 1 5.031 0.008 A 60 PRO HBx H 1 2.320 0.034 A 60 PRO HBy H 1 2.320 0.034 A 60 PRO C C 13 179.825 0.100 A 60 PRO CA C 13 62.170 0.029 A 60 PRO CB C 13 33.050 0.147 A 60 PRO CG C 13 27.412 0.035 A 61 GLU H H 1 8.645 0.006 A 61 GLU HA H 1 4.052 0.016 A 61 GLU C C 13 177.060 0.100 A 61 GLU CA C 13 60.602 0.071 A 61 GLU N N 15 118.470 0.014 A 62 ASN H H 1 8.065 0.012 A 62 ASN HA H 1 4.685 0.001 A 62 ASN HBx H 1 2.886 0.007 A 62 ASN HBy H 1 2.982 0.002 A 62 ASN C C 13 177.720 0.100 A 62 ASN CA C 13 55.397 0.072 A 62 ASN CB C 13 37.544 0.004 A 62 ASN N N 15 109.601 0.076 A 63 ARG H H 1 8.186 0.004 A 63 ARG HA H 1 4.458 0.001 A 63 ARG HBx H 1 2.579 0.008 A 63 ARG HBy H 1 2.579 0.008 A 63 ARG HDx H 1 3.307 0.015 A 63 ARG HDy H 1 3.307 0.015 A 63 ARG HGx H 1 1.799 0.016 A 63 ARG HGy H 1 1.799 0.016 A 63 ARG C C 13 174.172 0.100 A 63 ARG CA C 13 56.806 0.035 A 63 ARG CB C 13 31.957 0.084 A 63 ARG CD C 13 44.340 0.160 A 63 ARG CG C 13 28.043 0.148 A 63 ARG N N 15 119.388 0.044 A 64 VAL H H 1 7.736 0.004 A 64 VAL HA H 1 4.130 0.004 A 64 VAL HB H 1 1.518 0.006 A 64 VAL HG1% H 1 -0.499 0.007 A 64 VAL HG2% H 1 0.593 0.009 A 64 VAL C C 13 174.373 0.100 A 64 VAL CA C 13 62.217 0.030 A 64 VAL CB C 13 32.526 0.072 A 64 VAL CGx C 13 20.920 0.031 A 64 VAL CGy C 13 22.640 0.043 A 64 VAL N N 15 120.468 0.039 A 65 LEU H H 1 8.858 0.003 A 65 LEU HA H 1 4.860 0.034 A 65 LEU HBx H 1 1.383 0.013 A 65 LEU HBy H 1 1.534 0.034 A 65 LEU HD1% H 1 0.559 0.017 A 65 LEU HD2% H 1 0.863 0.004 A 65 LEU HG H 1 1.499 0.004 A 65 LEU C C 13 177.573 0.100 A 65 LEU CA C 13 52.867 0.035 A 65 LEU CB C 13 45.882 0.057 A 65 LEU CDy C 13 26.135 0.107 A 65 LEU CDx C 13 24.025 0.038 A 65 LEU CG C 13 26.904 0.086 A 65 LEU N N 15 124.312 0.028 A 66 LYS H H 1 8.577 0.003 A 66 LYS HA H 1 4.565 0.002 A 66 LYS C C 13 178.208 0.100 A 66 LYS CA C 13 54.712 0.035 A 66 LYS CB C 13 33.354 0.035 A 66 LYS CD C 13 28.700 0.035 A 66 LYS CG C 13 23.945 0.035 A 66 LYS N N 15 119.103 0.019 A 67 TYR H H 1 8.953 0.009 A 67 TYR HA H 1 3.988 0.005 A 67 TYR HBx H 1 2.398 0.034 A 67 TYR HBy H 1 3.366 0.007 A 67 TYR HDx H 1 6.706 0.004 A 67 TYR HDy H 1 6.706 0.004 A 67 TYR HEx H 1 6.561 0.002 A 67 TYR HEy H 1 6.561 0.002 A 67 TYR C C 13 174.986 0.100 A 67 TYR CA C 13 59.137 0.100 A 67 TYR CB C 13 38.365 0.088 A 67 TYR CDy C 13 131.887 0.035 A 67 TYR CEy C 13 118.142 0.015 A 67 TYR N N 15 123.006 0.026 A 68 ASN H H 1 7.058 0.003 A 68 ASN HA H 1 4.696 0.005 A 68 ASN HBx H 1 2.973 0.034 A 68 ASN HBy H 1 3.140 0.034 A 68 ASN C C 13 175.523 0.100 A 68 ASN CA C 13 51.472 0.110 A 68 ASN CB C 13 39.299 0.035 A 68 ASN N N 15 124.241 0.018 A 69 ASP H H 1 8.531 0.004 A 69 ASP HA H 1 4.202 0.008 A 69 ASP HBx H 1 2.598 0.005 A 69 ASP HBy H 1 2.598 0.005 A 69 ASP C C 13 179.461 0.100 A 69 ASP CA C 13 57.880 0.112 A 69 ASP CB C 13 40.983 0.089 A 69 ASP N N 15 118.358 0.027 A 70 ASP H H 1 8.169 0.004 A 70 ASP HA H 1 4.308 0.005 A 70 ASP HBx H 1 2.519 0.005 A 70 ASP HBy H 1 2.519 0.005 A 70 ASP C C 13 179.983 0.100 A 70 ASP CA C 13 57.543 0.095 A 70 ASP CB C 13 40.539 0.095 A 70 ASP N N 15 119.894 0.022 A 71 ASN H H 1 8.651 0.003 A 71 ASN HA H 1 4.620 0.002 A 71 ASN HBx H 1 2.334 0.034 A 71 ASN HBy H 1 2.721 0.034 A 71 ASN C C 13 178.683 0.100 A 71 ASN CA C 13 54.994 0.035 A 71 ASN CB C 13 38.329 0.092 A 71 ASN N N 15 119.689 0.024 A 72 VAL H H 1 8.263 0.006 A 72 VAL HA H 1 3.352 0.005 A 72 VAL HB H 1 1.998 0.004 A 72 VAL HG1% H 1 0.817 0.002 A 72 VAL HG2% H 1 0.635 0.002 A 72 VAL C C 13 179.626 0.100 A 72 VAL CA C 13 67.294 0.113 A 72 VAL CB C 13 31.853 0.063 A 72 VAL CGx C 13 21.288 0.028 A 72 VAL CGy C 13 23.871 0.098 A 72 VAL N N 15 123.638 0.022 A 73 LYS H H 1 7.765 0.003 A 73 LYS HA H 1 4.047 0.006 A 73 LYS HBx H 1 1.924 0.007 A 73 LYS HBy H 1 1.924 0.007 A 73 LYS HDx H 1 1.675 0.004 A 73 LYS HDy H 1 1.675 0.004 A 73 LYS HEx H 1 2.955 0.007 A 73 LYS HEy H 1 2.955 0.007 A 73 LYS HGx H 1 1.400 0.011 A 73 LYS HGy H 1 1.551 0.004 A 73 LYS C C 13 180.154 0.100 A 73 LYS CA C 13 59.880 0.107 A 73 LYS CB C 13 32.059 0.125 A 73 LYS CD C 13 29.475 0.142 A 73 LYS CE C 13 42.219 0.191 A 73 LYS CG C 13 25.441 0.108 A 73 LYS N N 15 121.004 0.032 A 74 ARG H H 1 7.674 0.005 A 74 ARG HA H 1 4.080 0.003 A 74 ARG HBx H 1 1.904 0.034 A 74 ARG HBy H 1 1.904 0.034 A 74 ARG HDx H 1 3.052 0.002 A 74 ARG HDy H 1 3.052 0.002 A 74 ARG HGx H 1 1.531 0.013 A 74 ARG HGy H 1 1.531 0.013 A 74 ARG C C 13 179.025 0.100 A 74 ARG CA C 13 58.979 0.035 A 74 ARG CB C 13 30.396 0.045 A 74 ARG CD C 13 44.050 0.131 A 74 ARG CG C 13 26.764 0.013 A 74 ARG N N 15 119.703 0.018 A 75 ARG H H 1 7.940 0.008 A 75 ARG HA H 1 3.733 0.006 A 75 ARG HBx H 1 1.396 0.010 A 75 ARG HBy H 1 1.396 0.010 A 75 ARG HDx H 1 2.902 0.004 A 75 ARG HDy H 1 2.902 0.004 A 75 ARG HGx H 1 1.702 0.012 A 75 ARG HGy H 1 1.702 0.012 A 75 ARG C C 13 179.431 0.100 A 75 ARG CA C 13 59.682 0.135 A 75 ARG CB C 13 29.737 0.035 A 75 ARG CD C 13 43.876 0.077 A 75 ARG CG C 13 26.508 0.079 A 75 ARG N N 15 119.121 0.028 A 76 GLN H H 1 8.017 0.009 A 76 GLN HA H 1 4.025 0.005 A 76 GLN HBx H 1 2.093 0.003 A 76 GLN HBy H 1 2.093 0.003 A 76 GLN HGx H 1 2.394 0.034 A 76 GLN HGy H 1 2.499 0.009 A 76 GLN C C 13 179.529 0.100 A 76 GLN CA C 13 58.707 0.117 A 76 GLN CB C 13 28.812 0.035 A 76 GLN CG C 13 34.049 0.120 A 76 GLN N N 15 118.873 0.020 A 77 GLU H H 1 8.316 0.003 A 77 GLU HBx H 1 2.058 0.034 A 77 GLU HBy H 1 2.058 0.034 A 77 GLU C C 13 180.403 0.100 A 77 GLU CA C 13 59.043 0.035 A 77 GLU CB C 13 29.802 0.035 A 77 GLU CG C 13 36.151 0.035 A 77 GLU N N 15 120.708 0.013 A 78 LEU H H 1 8.208 0.009 A 78 LEU HA H 1 4.106 0.002 A 78 LEU HBx H 1 1.529 0.008 A 78 LEU HBy H 1 1.780 0.005 A 78 LEU HD1% H 1 0.970 0.008 A 78 LEU HD2% H 1 0.954 0.006 A 78 LEU HG H 1 1.786 0.010 A 78 LEU C C 13 180.119 0.100 A 78 LEU CA C 13 57.698 0.140 A 78 LEU CB C 13 42.333 0.051 A 78 LEU CDy C 13 25.443 0.073 A 78 LEU CDx C 13 23.328 0.043 A 78 LEU CG C 13 27.411 0.018 A 78 LEU N N 15 120.223 0.015 A 79 ALA H H 1 7.799 0.004 A 79 ALA HA H 1 4.060 0.001 A 79 ALA HB% H 1 1.447 0.005 A 79 ALA C C 13 180.866 0.100 A 79 ALA CA C 13 54.592 0.127 A 79 ALA CB C 13 18.249 0.047 A 79 ALA N N 15 120.746 0.020 A 80 ARG H H 1 7.735 0.003 A 80 ARG HA H 1 4.191 0.004 A 80 ARG HBx H 1 1.939 0.006 A 80 ARG HBy H 1 1.939 0.006 A 80 ARG HDx H 1 3.208 0.005 A 80 ARG HDy H 1 3.208 0.005 A 80 ARG HGx H 1 1.682 0.034 A 80 ARG HGy H 1 1.682 0.034 A 80 ARG C C 13 179.491 0.100 A 80 ARG CA C 13 58.248 0.092 A 80 ARG CB C 13 30.509 0.179 A 80 ARG CD C 13 43.610 0.035 A 80 ARG CG C 13 27.398 0.064 A 80 ARG N N 15 117.793 0.030 A 81 GLN H H 1 8.019 0.003 A 81 GLN HA H 1 4.218 0.034 A 81 GLN HBx H 1 2.223 0.003 A 81 GLN HBy H 1 2.223 0.003 A 81 GLN HGx H 1 2.497 0.001 A 81 GLN HGy H 1 2.497 0.001 A 81 GLN C C 13 178.306 0.100 A 81 GLN CA C 13 57.577 0.035 A 81 GLN CB C 13 29.209 0.035 A 81 GLN CG C 13 34.113 0.093 A 81 GLN N N 15 118.900 0.020 A 82 CYS H H 1 8.059 0.005 A 82 CYS HA H 1 4.548 0.004 A 82 CYS HBx H 1 2.930 0.002 A 82 CYS HBy H 1 3.038 0.001 A 82 CYS C C 13 176.106 0.100 A 82 CYS CA C 13 59.732 0.011 A 82 CYS CB C 13 28.405 0.015 A 82 CYS N N 15 116.462 0.035 A 83 GLY H H 1 8.000 0.004 A 83 GLY N N 15 109.160 0.001 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 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 5 THR HA A 5 THR HG2% 1.0 1.8 4.00 2 2 A 5 THR HG2% A 5 THR H 1.0 1.8 5.75 3 3 A 5 THR HG2% A 6 GLY H 1.0 1.8 5.72 4 4 A 7 THR H A 6 GLY HAx 1.0 1.8 3.64 5 4 A 6 GLY HAy A 7 THR H 1.0 1.8 3.64 6 5 A 7 THR HG2% A 6 GLY HAx 1.0 1.8 5.79 7 5 A 6 GLY HAy A 7 THR HG2% 1.0 1.8 5.79 8 6 A 8 ASP H A 6 GLY HAx 1.0 1.8 5.50 9 6 A 6 GLY HAy A 8 ASP H 1.0 1.8 5.50 10 7 A 7 THR HG2% A 7 THR HA 1.0 1.8 4.46 11 8 A 8 ASP H A 7 THR HB 1.0 1.8 4.69 12 9 A 7 THR H A 7 THR HB 1.0 1.8 3.87 13 10 A 7 THR H A 7 THR HG2% 1.0 1.8 4.44 14 11 A 7 THR H A 8 ASP H 1.0 1.8 4.54 15 12 A 7 THR HG2% A 8 ASP HA 1.0 1.8 5.09 16 13 A 7 THR HG2% A 8 ASP H 1.0 1.8 4.85 17 14 A 7 THR HG2% A 8 ASP HBy 1.0 1.8 5.36 18 14 A 7 THR HG2% A 8 ASP HBx 1.0 1.8 5.36 19 15 A 7 THR HG2% A 9 ALA H 1.0 1.8 5.81 20 16 A 8 ASP HA A 9 ALA H 1.0 1.8 3.25 21 17 A 8 ASP HA A 9 ALA HB% 1.0 1.8 5.31 22 18 A 8 ASP H A 8 ASP HBy 1.0 1.8 3.76 23 18 A 8 ASP H A 8 ASP HBx 1.0 1.8 3.76 24 19 A 8 ASP H A 9 ALA H 1.0 1.8 5.08 25 20 A 8 ASP H A 9 ALA HB% 1.0 1.8 5.63 26 21 A 9 ALA HA A 8 ASP HBy 1.0 1.8 5.31 27 21 A 8 ASP HBx A 9 ALA HA 1.0 1.8 5.31 28 22 A 9 ALA HB% A 8 ASP HBy 1.0 1.8 5.20 29 22 A 8 ASP HBx A 9 ALA HB% 1.0 1.8 5.20 30 23 A 9 ALA H A 8 ASP HBy 1.0 1.8 4.94 31 24 A 8 ASP HBx A 9 ALA H 1.0 1.8 4.94 32 25 A 9 ALA HA A 10 ASN H 1.0 1.8 3.56 33 26 A 9 ALA HA A 11 THR H 1.0 1.8 4.91 34 27 A 9 ALA HA A 14 VAL HG2% 1.0 1.8 5.98 35 27 A 9 ALA HA A 14 VAL HG1% 1.0 1.8 5.98 36 28 A 9 ALA H A 9 ALA HB% 1.0 1.8 3.22 37 29 A 9 ALA H A 10 ASN H 1.0 1.8 4.93 38 30 A 9 ALA H A 11 THR H 1.0 1.8 6.00 39 31 A 9 ALA H A 14 VAL HG2% 1.0 1.8 5.38 40 31 A 9 ALA H A 14 VAL HG1% 1.0 1.8 5.38 41 32 A 9 ALA HB% A 10 ASN HA 1.0 1.8 4.73 42 33 A 9 ALA HB% A 10 ASN H 1.0 1.8 4.18 43 34 A 9 ALA HB% A 11 THR HA 1.0 1.8 6.00 44 35 A 9 ALA HB% A 11 THR HB 1.0 1.8 5.45 45 36 A 9 ALA HB% A 11 THR H 1.0 1.8 3.98 46 37 A 9 ALA HB% A 14 VAL H 1.0 1.8 6.00 47 38 A 9 ALA HB% A 37 PRO HDx 1.0 1.8 6.00 48 39 A 9 ALA HB% A 37 PRO HDy 1.0 1.8 5.42 49 40 A 10 ASN H A 11 THR H 1.0 1.8 3.97 50 41 A 10 ASN H A 11 THR HG2% 1.0 1.8 5.69 51 42 A 11 THR H A 10 ASN HBx 1.0 1.8 4.08 52 42 A 11 THR H A 10 ASN HBy 1.0 1.8 4.08 53 43 A 11 THR HA A 11 THR HG2% 1.0 1.8 3.70 54 44 A 11 THR HA A 12 LEU H 1.0 1.8 3.45 55 45 A 11 THR HA A 12 LEU HBy 1.0 1.8 6.00 56 46 A 11 THR HA A 12 LEU HBx 1.0 1.8 6.00 57 47 A 11 THR HA A 12 LEU HD2% 1.0 1.8 5.35 58 47 A 11 THR HA A 12 LEU HD1% 1.0 1.8 5.35 59 48 A 11 THR HA A 13 PHE H 1.0 1.8 5.05 60 49 A 11 THR HA A 42 VAL HG1% 1.0 1.8 5.35 61 50 A 11 THR HB A 12 LEU H 1.0 1.8 4.11 62 51 A 11 THR HB A 12 LEU HD2% 1.0 1.8 5.98 63 51 A 11 THR HB A 12 LEU HD1% 1.0 1.8 5.98 64 52 A 11 THR HB A 13 PHE H 1.0 1.8 3.99 65 53 A 11 THR HB A 42 VAL HG1% 1.0 1.8 4.93 66 54 A 11 THR HB A 44 TYR HE% 1.0 1.8 4.71 67 55 A 11 THR H A 11 THR HB 1.0 1.8 4.22 68 56 A 11 THR H A 11 THR HG2% 1.0 1.8 4.09 69 57 A 11 THR H A 12 LEU HA 1.0 1.8 6.00 70 58 A 11 THR H A 12 LEU H 1.0 1.8 4.62 71 59 A 11 THR H A 37 PRO HBx 1.0 1.8 5.51 72 59 A 11 THR H A 37 PRO HBy 1.0 1.8 5.51 73 60 A 11 THR H A 37 PRO HGx 1.0 1.8 5.51 74 60 A 11 THR H A 37 PRO HGy 1.0 1.8 5.51 75 61 A 11 THR H A 42 VAL HG1% 1.0 1.8 6.00 76 62 A 11 THR H A 44 TYR HE% 1.0 1.8 6.00 77 63 A 11 THR HG2% A 12 LEU H 1.0 1.8 3.72 78 64 A 11 THR HG2% A 13 PHE H 1.0 1.8 4.62 79 65 A 11 THR HG2% A 13 PHE HD% 1.0 1.8 5.13 80 66 A 11 THR HG2% A 37 PRO HA 1.0 1.8 3.89 81 67 A 11 THR HG2% A 37 PRO HBx 1.0 1.8 4.52 82 67 A 11 THR HG2% A 37 PRO HBy 1.0 1.8 4.52 83 68 A 37 PRO HDy A 11 THR HG2% 1.0 1.8 5.30 84 69 A 11 THR HG2% A 37 PRO HGx 1.0 1.8 4.97 85 69 A 11 THR HG2% A 37 PRO HGy 1.0 1.8 4.97 86 70 A 11 THR HG2% A 38 ASP H 1.0 1.8 4.82 87 71 A 11 THR HG2% A 42 VAL H 1.0 1.8 5.11 88 72 A 11 THR HG2% A 42 VAL HG1% 1.0 1.8 3.47 89 73 A 11 THR HG2% A 44 TYR HE% 1.0 1.8 4.20 90 74 A 12 LEU HD1% A 12 LEU HA 1.0 1.8 4.40 91 75 A 12 LEU HA A 12 LEU HD2% 1.0 1.8 4.40 92 76 A 12 LEU H A 12 LEU HBy 1.0 1.8 4.18 93 77 A 12 LEU H A 12 LEU HBx 1.0 1.8 4.18 94 78 A 12 LEU H A 12 LEU HD2% 1.0 1.8 4.15 95 78 A 12 LEU H A 12 LEU HD1% 1.0 1.8 4.15 96 79 A 12 LEU H A 13 PHE H 1.0 1.8 4.05 97 80 A 12 LEU H A 13 PHE HD% 1.0 1.8 5.00 98 81 A 12 LEU H A 44 TYR HE% 1.0 1.8 5.71 99 82 A 12 LEU HBx A 13 PHE HBy 1.0 1.8 5.70 100 82 A 12 LEU HBy A 13 PHE HBy 1.0 1.8 5.70 101 82 A 13 PHE HBx A 12 LEU HBx 1.0 1.8 5.70 102 82 A 12 LEU HBy A 13 PHE HBx 1.0 1.8 5.70 103 83 A 13 PHE H A 12 LEU HBy 1.0 1.8 5.21 104 84 A 13 PHE H A 12 LEU HBx 1.0 1.8 5.21 105 85 A 13 PHE H A 12 LEU HD2% 1.0 1.8 4.71 106 85 A 12 LEU HD1% A 13 PHE H 1.0 1.8 4.71 107 86 A 13 PHE HD% A 12 LEU HD2% 1.0 1.8 5.06 108 86 A 12 LEU HD1% A 13 PHE HD% 1.0 1.8 5.06 109 87 A 13 PHE HE% A 12 LEU HD2% 1.0 1.8 5.39 110 87 A 12 LEU HD1% A 13 PHE HE% 1.0 1.8 5.39 111 88 A 12 LEU HD1% A 13 PHE H 1.0 1.8 5.83 112 89 A 13 PHE H A 12 LEU HD2% 1.0 1.8 5.83 113 90 A 13 PHE HD% A 13 PHE HA 1.0 1.8 4.63 114 91 A 14 VAL H A 13 PHE HA 1.0 1.8 3.56 115 92 A 14 VAL HG1% A 13 PHE HA 1.0 1.8 5.63 116 93 A 13 PHE HA A 14 VAL HG2% 1.0 1.8 5.33 117 94 A 13 PHE H A 13 PHE HBy 1.0 1.8 4.40 118 95 A 13 PHE H A 13 PHE HBx 1.0 1.8 4.40 119 96 A 13 PHE H A 13 PHE HD% 1.0 1.8 4.24 120 97 A 14 VAL H A 13 PHE H 1.0 1.8 5.02 121 98 A 13 PHE H A 14 VAL HG2% 1.0 1.8 5.19 122 98 A 14 VAL HG1% A 13 PHE H 1.0 1.8 5.19 123 99 A 13 PHE H A 32 VAL HG2% 1.0 1.8 5.98 124 99 A 13 PHE H A 32 VAL HG1% 1.0 1.8 5.98 125 100 A 13 PHE H A 35 THR HG2% 1.0 1.8 5.42 126 101 A 13 PHE H A 44 TYR HE% 1.0 1.8 4.20 127 102 A 14 VAL HA A 13 PHE HBy 1.0 1.8 4.97 128 102 A 13 PHE HBx A 14 VAL HA 1.0 1.8 4.97 129 103 A 14 VAL H A 13 PHE HBy 1.0 1.8 4.26 130 103 A 14 VAL H A 13 PHE HBx 1.0 1.8 4.26 131 104 A 13 PHE HBy A 14 VAL HG2% 1.0 1.8 5.81 132 104 A 13 PHE HBx A 14 VAL HG2% 1.0 1.8 5.81 133 104 A 14 VAL HG1% A 13 PHE HBy 1.0 1.8 5.81 134 104 A 14 VAL HG1% A 13 PHE HBx 1.0 1.8 5.81 135 105 A 35 THR HG2% A 13 PHE HBy 1.0 1.8 4.42 136 105 A 13 PHE HBx A 35 THR HG2% 1.0 1.8 4.42 137 106 A 44 TYR HD% A 13 PHE HBy 1.0 1.8 4.48 138 106 A 13 PHE HBx A 44 TYR HD% 1.0 1.8 4.48 139 107 A 44 TYR HE% A 13 PHE HBy 1.0 1.8 5.06 140 108 A 44 TYR HE% A 13 PHE HBx 1.0 1.8 5.06 141 109 A 14 VAL H A 13 PHE HD% 1.0 1.8 4.90 142 110 A 13 PHE HD% A 14 VAL HG2% 1.0 1.8 6.00 143 111 A 13 PHE HD% A 19 VAL HG2% 1.0 1.8 4.36 144 111 A 13 PHE HD% A 19 VAL HG1% 1.0 1.8 4.36 145 112 A 13 PHE HD% A 32 VAL HB 1.0 1.8 5.44 146 113 A 13 PHE HD% A 32 VAL HG1% 1.0 1.8 4.85 147 114 A 13 PHE HD% A 32 VAL HG2% 1.0 1.8 4.85 148 115 A 13 PHE HD% A 61 GLU HA 1.0 1.8 5.84 149 116 A 13 PHE HD% A 64 VAL HG1% 1.0 1.8 5.21 150 117 A 13 PHE HD% A 64 VAL HG2% 1.0 1.8 5.21 151 118 A 13 PHE HE% A 32 VAL HG2% 1.0 1.8 4.64 152 118 A 13 PHE HE% A 32 VAL HG1% 1.0 1.8 4.64 153 119 A 13 PHE HE% A 64 VAL HA 1.0 1.8 6.00 154 120 A 13 PHE HE% A 64 VAL HB 1.0 1.8 5.41 155 121 A 13 PHE HE% A 64 VAL HG2% 1.0 1.8 4.00 156 121 A 13 PHE HE% A 64 VAL HG1% 1.0 1.8 4.00 157 122 A 13 PHE HE% A 64 VAL HG1% 1.0 1.8 4.68 158 123 A 13 PHE HE% A 64 VAL HG2% 1.0 1.8 4.68 159 124 A 13 PHE HE% A 65 LEU H 1.0 1.8 6.00 160 125 A 13 PHE HE% A 66 LYS HA 1.0 1.8 4.95 161 126 A 14 VAL HG1% A 14 VAL HA 1.0 1.8 4.27 162 127 A 14 VAL HA A 14 VAL HG2% 1.0 1.8 4.27 163 128 A 14 VAL HA A 15 ASP H 1.0 1.8 3.31 164 129 A 35 THR HG2% A 14 VAL HA 1.0 1.8 5.00 165 130 A 15 ASP H A 14 VAL HB 1.0 1.8 3.90 166 131 A 14 VAL HB A 17 GLU H 1.0 1.8 4.74 167 132 A 14 VAL H A 14 VAL HB 1.0 1.8 4.29 168 133 A 14 VAL HG1% A 14 VAL H 1.0 1.8 4.35 169 134 A 14 VAL H A 14 VAL HG2% 1.0 1.8 4.35 170 135 A 14 VAL H A 15 ASP H 1.0 1.8 4.59 171 136 A 14 VAL H A 17 GLU HGx 1.0 1.8 4.39 172 136 A 14 VAL H A 17 GLU HGy 1.0 1.8 4.39 173 137 A 14 VAL H A 19 VAL HG2% 1.0 1.8 5.26 174 137 A 14 VAL H A 19 VAL HG1% 1.0 1.8 5.26 175 138 A 14 VAL H A 32 VAL HB 1.0 1.8 4.87 176 139 A 14 VAL H A 32 VAL HG1% 1.0 1.8 5.10 177 140 A 14 VAL H A 32 VAL HG2% 1.0 1.8 5.10 178 141 A 14 VAL H A 35 THR HB 1.0 1.8 5.66 179 142 A 14 VAL H A 35 THR HG2% 1.0 1.8 5.64 180 143 A 15 ASP H A 14 VAL HG2% 1.0 1.8 3.42 181 143 A 14 VAL HG1% A 15 ASP H 1.0 1.8 3.42 182 144 A 14 VAL HG2% A 15 ASP HBx 1.0 1.8 5.98 183 144 A 15 ASP HBy A 14 VAL HG2% 1.0 1.8 5.98 184 144 A 14 VAL HG1% A 15 ASP HBy 1.0 1.8 5.98 185 144 A 14 VAL HG1% A 15 ASP HBx 1.0 1.8 5.98 186 145 A 16 GLY HAy A 14 VAL HG2% 1.0 1.8 5.98 187 145 A 14 VAL HG1% A 16 GLY HAy 1.0 1.8 5.98 188 146 A 17 GLU HA A 14 VAL HG2% 1.0 1.8 5.26 189 146 A 14 VAL HG1% A 17 GLU HA 1.0 1.8 5.26 190 147 A 17 GLU H A 14 VAL HG2% 1.0 1.8 4.18 191 147 A 14 VAL HG1% A 17 GLU H 1.0 1.8 4.18 192 148 A 15 ASP HA A 16 GLY H 1.0 1.8 3.56 193 149 A 16 GLY HAy A 15 ASP HA 1.0 1.8 5.90 194 150 A 15 ASP HA A 32 VAL HG2% 1.0 1.8 4.32 195 150 A 32 VAL HG1% A 15 ASP HA 1.0 1.8 4.32 196 151 A 15 ASP HA A 34 LYS H 1.0 1.8 5.20 197 152 A 15 ASP H A 15 ASP HBx 1.0 1.8 3.39 198 152 A 15 ASP H A 15 ASP HBy 1.0 1.8 3.39 199 153 A 15 ASP H A 16 GLY H 1.0 1.8 4.80 200 154 A 15 ASP H A 35 THR H 1.0 1.8 5.79 201 155 A 35 THR HG2% A 15 ASP H 1.0 1.8 4.50 202 156 A 16 GLY H A 15 ASP HBx 1.0 1.8 4.21 203 156 A 15 ASP HBy A 16 GLY H 1.0 1.8 4.21 204 157 A 16 GLY HAy A 15 ASP HBx 1.0 1.8 5.63 205 157 A 15 ASP HBy A 16 GLY HAy 1.0 1.8 5.63 206 158 A 16 GLY HAx A 15 ASP HBx 1.0 1.8 5.73 207 158 A 15 ASP HBy A 16 GLY HAx 1.0 1.8 5.73 208 159 A 15 ASP HBx A 32 VAL HG2% 1.0 1.8 5.98 209 159 A 15 ASP HBy A 32 VAL HG2% 1.0 1.8 5.98 210 159 A 32 VAL HG1% A 15 ASP HBx 1.0 1.8 5.98 211 159 A 32 VAL HG1% A 15 ASP HBy 1.0 1.8 5.98 212 160 A 35 THR H A 15 ASP HBx 1.0 1.8 5.63 213 160 A 15 ASP HBy A 35 THR H 1.0 1.8 5.63 214 161 A 17 GLU H A 16 GLY H 1.0 1.8 3.91 215 162 A 16 GLY H A 31 LYS HDx 1.0 1.8 5.37 216 162 A 16 GLY H A 31 LYS HDy 1.0 1.8 5.37 217 163 A 16 GLY H A 31 LYS HEx 1.0 1.8 6.00 218 163 A 16 GLY H A 31 LYS HEy 1.0 1.8 6.00 219 164 A 16 GLY H A 32 VAL HA 1.0 1.8 5.47 220 165 A 32 VAL HB A 16 GLY H 1.0 1.8 4.31 221 166 A 16 GLY H A 32 VAL H 1.0 1.8 5.12 222 167 A 32 VAL HG1% A 16 GLY H 1.0 1.8 5.17 223 168 A 16 GLY H A 32 VAL HG2% 1.0 1.8 5.17 224 169 A 16 GLY H A 33 LEU HA 1.0 1.8 5.02 225 170 A 16 GLY H A 33 LEU H 1.0 1.8 5.71 226 171 A 16 GLY H A 33 LEU HBx 1.0 1.8 5.53 227 171 A 16 GLY H A 33 LEU HBy 1.0 1.8 5.53 228 172 A 16 GLY H A 33 LEU HD2% 1.0 1.8 5.53 229 172 A 16 GLY H A 33 LEU HD1% 1.0 1.8 5.53 230 173 A 16 GLY H A 34 LYS HA 1.0 1.8 6.00 231 174 A 16 GLY H A 34 LYS H 1.0 1.8 5.32 232 175 A 16 GLY HAy A 31 LYS HDx 1.0 1.8 5.45 233 175 A 16 GLY HAy A 31 LYS HDy 1.0 1.8 5.45 234 176 A 16 GLY HAy A 31 LYS HEx 1.0 1.8 5.39 235 176 A 16 GLY HAy A 31 LYS HEy 1.0 1.8 5.39 236 177 A 16 GLY HAy A 31 LYS HGx 1.0 1.8 5.03 237 177 A 16 GLY HAy A 31 LYS HGy 1.0 1.8 5.03 238 178 A 16 GLY HAy A 33 LEU HD2% 1.0 1.8 6.00 239 178 A 16 GLY HAy A 33 LEU HD1% 1.0 1.8 6.00 240 179 A 16 GLY HAx A 31 LYS HEx 1.0 1.8 5.49 241 179 A 16 GLY HAx A 31 LYS HEy 1.0 1.8 5.49 242 180 A 16 GLY HAx A 31 LYS HGx 1.0 1.8 6.00 243 180 A 16 GLY HAx A 31 LYS HGy 1.0 1.8 6.00 244 181 A 17 GLU HA A 18 ARG H 1.0 1.8 3.38 245 182 A 17 GLU HA A 18 ARG HBx 1.0 1.8 5.29 246 182 A 17 GLU HA A 18 ARG HBy 1.0 1.8 5.29 247 183 A 17 GLU HA A 19 VAL HG2% 1.0 1.8 5.70 248 183 A 19 VAL HG1% A 17 GLU HA 1.0 1.8 5.70 249 184 A 17 GLU HA A 32 VAL H 1.0 1.8 6.00 250 185 A 17 GLU H A 18 ARG H 1.0 1.8 4.75 251 186 A 17 GLU H A 31 LYS HGx 1.0 1.8 6.00 252 186 A 17 GLU H A 31 LYS HGy 1.0 1.8 6.00 253 187 A 32 VAL HB A 17 GLU H 1.0 1.8 3.81 254 188 A 17 GLU H A 32 VAL HG2% 1.0 1.8 4.87 255 188 A 32 VAL HG1% A 17 GLU H 1.0 1.8 4.87 256 189 A 18 ARG H A 17 GLU HGx 1.0 1.8 3.75 257 189 A 17 GLU HGy A 18 ARG H 1.0 1.8 3.75 258 190 A 19 VAL H A 17 GLU HGx 1.0 1.8 5.61 259 190 A 17 GLU HGy A 19 VAL H 1.0 1.8 5.61 260 191 A 19 VAL HG1% A 17 GLU HGx 1.0 1.8 5.09 261 191 A 19 VAL HG1% A 17 GLU HGy 1.0 1.8 5.09 262 192 A 17 GLU HGx A 19 VAL HG2% 1.0 1.8 5.09 263 192 A 17 GLU HGy A 19 VAL HG2% 1.0 1.8 5.09 264 193 A 32 VAL H A 17 GLU HGx 1.0 1.8 5.14 265 193 A 17 GLU HGy A 32 VAL H 1.0 1.8 5.14 266 194 A 19 VAL H A 18 ARG HA 1.0 1.8 3.62 267 195 A 18 ARG HA A 19 VAL HG2% 1.0 1.8 4.82 268 195 A 19 VAL HG1% A 18 ARG HA 1.0 1.8 4.82 269 196 A 18 ARG HA A 31 LYS HA 1.0 1.8 4.12 270 197 A 18 ARG HA A 31 LYS H 1.0 1.8 5.96 271 198 A 18 ARG HA A 31 LYS HDx 1.0 1.8 5.19 272 198 A 31 LYS HDy A 18 ARG HA 1.0 1.8 5.19 273 199 A 18 ARG HA A 31 LYS HGx 1.0 1.8 5.07 274 199 A 31 LYS HGy A 18 ARG HA 1.0 1.8 5.07 275 200 A 32 VAL H A 18 ARG HA 1.0 1.8 4.98 276 201 A 18 ARG HA A 67 TYR HD% 1.0 1.8 6.00 277 202 A 18 ARG H A 18 ARG HBx 1.0 1.8 3.53 278 202 A 18 ARG H A 18 ARG HBy 1.0 1.8 3.53 279 203 A 18 ARG H A 18 ARG HDx 1.0 1.8 5.28 280 203 A 18 ARG H A 18 ARG HDy 1.0 1.8 5.28 281 204 A 18 ARG H A 18 ARG HGy 1.0 1.8 5.12 282 204 A 18 ARG H A 18 ARG HGx 1.0 1.8 5.12 283 205 A 18 ARG H A 19 VAL H 1.0 1.8 5.29 284 206 A 18 ARG H A 19 VAL HG2% 1.0 1.8 5.03 285 206 A 19 VAL HG1% A 18 ARG H 1.0 1.8 5.03 286 207 A 18 ARG H A 31 LYS HA 1.0 1.8 5.47 287 208 A 18 ARG H A 31 LYS HDx 1.0 1.8 5.86 288 208 A 31 LYS HDy A 18 ARG H 1.0 1.8 5.86 289 209 A 18 ARG H A 31 LYS HGx 1.0 1.8 4.79 290 209 A 31 LYS HGy A 18 ARG H 1.0 1.8 4.79 291 210 A 18 ARG HBy A 18 ARG HDx 1.0 1.8 4.61 292 210 A 18 ARG HBx A 18 ARG HDx 1.0 1.8 4.61 293 210 A 18 ARG HDy A 18 ARG HBx 1.0 1.8 4.61 294 210 A 18 ARG HBy A 18 ARG HDy 1.0 1.8 4.61 295 211 A 19 VAL HA A 18 ARG HBx 1.0 1.8 5.59 296 211 A 18 ARG HBy A 19 VAL HA 1.0 1.8 5.59 297 212 A 19 VAL H A 18 ARG HBx 1.0 1.8 4.43 298 212 A 18 ARG HBy A 19 VAL H 1.0 1.8 4.43 299 213 A 18 ARG HBy A 19 VAL HG2% 1.0 1.8 5.05 300 213 A 18 ARG HBx A 19 VAL HG2% 1.0 1.8 5.05 301 213 A 19 VAL HG1% A 18 ARG HBx 1.0 1.8 5.05 302 213 A 19 VAL HG1% A 18 ARG HBy 1.0 1.8 5.05 303 214 A 32 VAL H A 18 ARG HBx 1.0 1.8 6.00 304 214 A 32 VAL H A 18 ARG HBy 1.0 1.8 6.00 305 215 A 67 TYR HE% A 18 ARG HBx 1.0 1.8 5.67 306 215 A 18 ARG HBy A 67 TYR HE% 1.0 1.8 5.67 307 216 A 18 ARG HDx A 31 LYS HGx 1.0 1.8 5.68 308 216 A 18 ARG HDy A 31 LYS HGx 1.0 1.8 5.68 309 216 A 31 LYS HGy A 18 ARG HDx 1.0 1.8 5.68 310 216 A 31 LYS HGy A 18 ARG HDy 1.0 1.8 5.68 311 217 A 67 TYR HD% A 18 ARG HDx 1.0 1.8 5.28 312 217 A 67 TYR HD% A 18 ARG HDy 1.0 1.8 5.28 313 218 A 67 TYR HE% A 18 ARG HDx 1.0 1.8 4.86 314 218 A 18 ARG HDy A 67 TYR HE% 1.0 1.8 4.86 315 219 A 19 VAL H A 18 ARG HGy 1.0 1.8 4.02 316 219 A 19 VAL H A 18 ARG HGx 1.0 1.8 4.02 317 220 A 18 ARG HGy A 19 VAL HG2% 1.0 1.8 5.40 318 220 A 18 ARG HGx A 19 VAL HG2% 1.0 1.8 5.40 319 220 A 19 VAL HG1% A 18 ARG HGy 1.0 1.8 5.40 320 220 A 19 VAL HG1% A 18 ARG HGx 1.0 1.8 5.40 321 221 A 18 ARG HGx A 29 GLU HGx 1.0 1.8 4.74 322 221 A 18 ARG HGy A 29 GLU HGx 1.0 1.8 4.74 323 221 A 29 GLU HGy A 18 ARG HGy 1.0 1.8 4.74 324 221 A 18 ARG HGx A 29 GLU HGy 1.0 1.8 4.74 325 222 A 30 ALA H A 18 ARG HGy 1.0 1.8 5.36 326 222 A 18 ARG HGx A 30 ALA H 1.0 1.8 5.36 327 223 A 67 TYR HBy A 18 ARG HGy 1.0 1.8 5.87 328 223 A 18 ARG HGx A 67 TYR HBy 1.0 1.8 5.87 329 224 A 67 TYR HD% A 18 ARG HGy 1.0 1.8 4.36 330 224 A 67 TYR HD% A 18 ARG HGx 1.0 1.8 4.36 331 225 A 67 TYR HE% A 18 ARG HGy 1.0 1.8 4.72 332 225 A 18 ARG HGx A 67 TYR HE% 1.0 1.8 4.72 333 226 A 19 VAL H A 18 ARG HGy 1.0 1.8 4.57 334 227 A 29 GLU HGy A 18 ARG HGy 1.0 1.8 5.42 335 227 A 18 ARG HGy A 29 GLU HGx 1.0 1.8 5.42 336 228 A 67 TYR HD% A 18 ARG HGy 1.0 1.8 5.27 337 229 A 19 VAL H A 18 ARG HGx 1.0 1.8 4.57 338 230 A 18 ARG HGx A 29 GLU HGy 1.0 1.8 5.42 339 230 A 18 ARG HGx A 29 GLU HGx 1.0 1.8 5.42 340 231 A 67 TYR HD% A 18 ARG HGx 1.0 1.8 5.27 341 232 A 19 VAL HG1% A 19 VAL HA 1.0 1.8 4.47 342 233 A 19 VAL HA A 19 VAL HG2% 1.0 1.8 4.47 343 234 A 19 VAL HA A 64 VAL HG2% 1.0 1.8 5.59 344 234 A 64 VAL HG1% A 19 VAL HA 1.0 1.8 5.59 345 235 A 19 VAL HA A 67 TYR H 1.0 1.8 4.79 346 236 A 19 VAL HA A 67 TYR HBy 1.0 1.8 5.05 347 237 A 19 VAL HA A 67 TYR HBx 1.0 1.8 5.90 348 238 A 67 TYR HD% A 19 VAL HA 1.0 1.8 4.69 349 239 A 19 VAL HB A 20 LEU H 1.0 1.8 3.77 350 240 A 19 VAL HB A 46 ILE HD1% 1.0 1.8 5.03 351 241 A 19 VAL HB A 64 VAL HG2% 1.0 1.8 4.22 352 241 A 64 VAL HG1% A 19 VAL HB 1.0 1.8 4.22 353 242 A 65 LEU H A 19 VAL HB 1.0 1.8 5.43 354 243 A 67 TYR H A 19 VAL HB 1.0 1.8 5.64 355 244 A 19 VAL HG1% A 19 VAL H 1.0 1.8 4.46 356 245 A 19 VAL H A 19 VAL HG2% 1.0 1.8 4.46 357 246 A 19 VAL H A 20 LEU H 1.0 1.8 4.87 358 247 A 19 VAL H A 29 GLU HGx 1.0 1.8 6.00 359 247 A 19 VAL H A 29 GLU HGy 1.0 1.8 6.00 360 248 A 19 VAL H A 30 ALA H 1.0 1.8 4.43 361 249 A 19 VAL H A 31 LYS HA 1.0 1.8 4.49 362 250 A 19 VAL H A 31 LYS HBx 1.0 1.8 5.05 363 250 A 19 VAL H A 31 LYS HBy 1.0 1.8 5.05 364 251 A 19 VAL H A 31 LYS HGx 1.0 1.8 5.51 365 251 A 31 LYS HGy A 19 VAL H 1.0 1.8 5.51 366 252 A 32 VAL H A 19 VAL H 1.0 1.8 4.90 367 253 A 19 VAL H A 67 TYR HD% 1.0 1.8 5.52 368 254 A 20 LEU H A 19 VAL HG2% 1.0 1.8 3.75 369 254 A 19 VAL HG1% A 20 LEU H 1.0 1.8 3.75 370 255 A 21 CYS HA A 19 VAL HG2% 1.0 1.8 5.32 371 255 A 19 VAL HG1% A 21 CYS HA 1.0 1.8 5.32 372 256 A 21 CYS H A 19 VAL HG2% 1.0 1.8 5.29 373 256 A 19 VAL HG1% A 21 CYS H 1.0 1.8 5.29 374 257 A 19 VAL HG1% A 21 CYS HBy 1.0 1.8 4.55 375 257 A 19 VAL HG2% A 21 CYS HBy 1.0 1.8 4.55 376 257 A 21 CYS HBx A 19 VAL HG2% 1.0 1.8 4.55 377 257 A 19 VAL HG1% A 21 CYS HBx 1.0 1.8 4.55 378 258 A 30 ALA H A 19 VAL HG2% 1.0 1.8 4.60 379 258 A 19 VAL HG1% A 30 ALA H 1.0 1.8 4.60 380 259 A 30 ALA HB% A 19 VAL HG2% 1.0 1.8 3.60 381 259 A 19 VAL HG1% A 30 ALA HB% 1.0 1.8 3.60 382 260 A 31 LYS HA A 19 VAL HG2% 1.0 1.8 4.52 383 260 A 19 VAL HG1% A 31 LYS HA 1.0 1.8 4.52 384 261 A 31 LYS H A 19 VAL HG2% 1.0 1.8 4.27 385 261 A 19 VAL HG1% A 31 LYS H 1.0 1.8 4.27 386 262 A 19 VAL HG1% A 31 LYS HBx 1.0 1.8 5.29 387 262 A 19 VAL HG2% A 31 LYS HBx 1.0 1.8 5.29 388 262 A 31 LYS HBy A 19 VAL HG2% 1.0 1.8 5.29 389 262 A 19 VAL HG1% A 31 LYS HBy 1.0 1.8 5.29 390 263 A 19 VAL HG1% A 31 LYS HEx 1.0 1.8 5.98 391 263 A 19 VAL HG2% A 31 LYS HEx 1.0 1.8 5.98 392 263 A 31 LYS HEy A 19 VAL HG2% 1.0 1.8 5.98 393 263 A 19 VAL HG1% A 31 LYS HEy 1.0 1.8 5.98 394 264 A 19 VAL HG1% A 31 LYS HGx 1.0 1.8 5.29 395 264 A 19 VAL HG2% A 31 LYS HGx 1.0 1.8 5.29 396 264 A 31 LYS HGy A 19 VAL HG2% 1.0 1.8 5.29 397 264 A 19 VAL HG1% A 31 LYS HGy 1.0 1.8 5.29 398 265 A 32 VAL HA A 19 VAL HG2% 1.0 1.8 5.69 399 265 A 19 VAL HG1% A 32 VAL HA 1.0 1.8 5.69 400 266 A 32 VAL HB A 19 VAL HG2% 1.0 1.8 4.40 401 266 A 19 VAL HG1% A 32 VAL HB 1.0 1.8 4.40 402 267 A 32 VAL H A 19 VAL HG2% 1.0 1.8 4.55 403 267 A 19 VAL HG1% A 32 VAL H 1.0 1.8 4.55 404 268 A 19 VAL HG1% A 32 VAL HG2% 1.0 1.8 3.65 405 268 A 19 VAL HG2% A 32 VAL HG2% 1.0 1.8 3.65 406 268 A 32 VAL HG1% A 19 VAL HG2% 1.0 1.8 3.65 407 268 A 32 VAL HG1% A 19 VAL HG1% 1.0 1.8 3.65 408 269 A 44 TYR HBx A 19 VAL HG2% 1.0 1.8 5.98 409 269 A 19 VAL HG1% A 44 TYR HBx 1.0 1.8 5.98 410 270 A 47 HIS H A 19 VAL HG2% 1.0 1.8 5.82 411 270 A 19 VAL HG1% A 47 HIS H 1.0 1.8 5.82 412 271 A 47 HIS HD2 A 19 VAL HG2% 1.0 1.8 5.98 413 271 A 19 VAL HG1% A 47 HIS HD2 1.0 1.8 5.98 414 272 A 64 VAL HA A 19 VAL HG2% 1.0 1.8 5.43 415 272 A 19 VAL HG1% A 64 VAL HA 1.0 1.8 5.43 416 273 A 64 VAL HB A 19 VAL HG2% 1.0 1.8 5.96 417 273 A 19 VAL HG1% A 64 VAL HB 1.0 1.8 5.96 418 274 A 19 VAL HG1% A 64 VAL HG2% 1.0 1.8 3.62 419 274 A 19 VAL HG2% A 64 VAL HG2% 1.0 1.8 3.62 420 274 A 64 VAL HG1% A 19 VAL HG2% 1.0 1.8 3.62 421 274 A 19 VAL HG1% A 64 VAL HG1% 1.0 1.8 3.62 422 275 A 65 LEU H A 19 VAL HG2% 1.0 1.8 5.21 423 275 A 19 VAL HG1% A 65 LEU H 1.0 1.8 5.21 424 276 A 67 TYR H A 19 VAL HG2% 1.0 1.8 5.98 425 276 A 19 VAL HG1% A 67 TYR H 1.0 1.8 5.98 426 277 A 67 TYR HBy A 19 VAL HG2% 1.0 1.8 5.36 427 277 A 19 VAL HG1% A 67 TYR HBy 1.0 1.8 5.36 428 278 A 19 VAL HG1% A 20 LEU H 1.0 1.8 4.39 429 279 A 19 VAL HG1% A 31 LYS HGy 1.0 1.8 6.00 430 279 A 19 VAL HG1% A 31 LYS HGx 1.0 1.8 6.00 431 280 A 20 LEU H A 19 VAL HG2% 1.0 1.8 4.39 432 281 A 31 LYS HGy A 19 VAL HG2% 1.0 1.8 6.00 433 281 A 19 VAL HG2% A 31 LYS HGx 1.0 1.8 6.00 434 282 A 20 LEU HA A 20 LEU HD2% 1.0 1.8 3.95 435 282 A 20 LEU HA A 20 LEU HD1% 1.0 1.8 3.95 436 283 A 21 CYS H A 20 LEU HA 1.0 1.8 3.75 437 284 A 20 LEU HA A 27 ILE HG2% 1.0 1.8 5.09 438 285 A 30 ALA H A 20 LEU HA 1.0 1.8 4.61 439 286 A 20 LEU HG A 29 GLU HGx 1.0 1.8 5.62 440 286 A 29 GLU HGy A 20 LEU HG 1.0 1.8 5.62 441 287 A 67 TYR H A 20 LEU HG 1.0 1.8 5.09 442 288 A 67 TYR HD% A 20 LEU HG 1.0 1.8 5.90 443 289 A 67 TYR HE% A 20 LEU HG 1.0 1.8 5.41 444 290 A 20 LEU H A 20 LEU HBx 1.0 1.8 4.02 445 290 A 20 LEU H A 20 LEU HBy 1.0 1.8 4.02 446 291 A 20 LEU H A 21 CYS H 1.0 1.8 5.42 447 292 A 20 LEU H A 27 ILE HG2% 1.0 1.8 6.00 448 293 A 20 LEU H A 64 VAL HG2% 1.0 1.8 4.57 449 293 A 64 VAL HG1% A 20 LEU H 1.0 1.8 4.57 450 294 A 20 LEU H A 65 LEU HG 1.0 1.8 5.75 451 295 A 65 LEU H A 20 LEU H 1.0 1.8 4.72 452 296 A 20 LEU H A 65 LEU HBx 1.0 1.8 5.16 453 296 A 20 LEU H A 65 LEU HBy 1.0 1.8 5.16 454 297 A 21 CYS H A 20 LEU HBx 1.0 1.8 4.36 455 297 A 21 CYS H A 20 LEU HBy 1.0 1.8 4.36 456 298 A 21 CYS H A 20 LEU HBy 1.0 1.8 5.13 457 299 A 21 CYS H A 20 LEU HBx 1.0 1.8 5.13 458 300 A 21 CYS H A 20 LEU HD2% 1.0 1.8 4.26 459 300 A 21 CYS H A 20 LEU HD1% 1.0 1.8 4.26 460 301 A 28 TYR H A 20 LEU HD2% 1.0 1.8 5.58 461 301 A 20 LEU HD1% A 28 TYR H 1.0 1.8 5.58 462 302 A 29 GLU HA A 20 LEU HD2% 1.0 1.8 3.91 463 302 A 20 LEU HD1% A 29 GLU HA 1.0 1.8 3.91 464 303 A 29 GLU H A 20 LEU HD2% 1.0 1.8 4.75 465 303 A 20 LEU HD1% A 29 GLU H 1.0 1.8 4.75 466 304 A 20 LEU HD1% A 29 GLU HGx 1.0 1.8 4.05 467 304 A 20 LEU HD2% A 29 GLU HGx 1.0 1.8 4.05 468 304 A 29 GLU HGy A 20 LEU HD2% 1.0 1.8 4.05 469 304 A 29 GLU HGy A 20 LEU HD1% 1.0 1.8 4.05 470 305 A 30 ALA H A 20 LEU HD2% 1.0 1.8 4.35 471 305 A 30 ALA H A 20 LEU HD1% 1.0 1.8 4.35 472 306 A 66 LYS HA A 20 LEU HD2% 1.0 1.8 5.98 473 306 A 66 LYS HA A 20 LEU HD1% 1.0 1.8 5.98 474 307 A 67 TYR HA A 20 LEU HD2% 1.0 1.8 4.31 475 307 A 20 LEU HD1% A 67 TYR HA 1.0 1.8 4.31 476 308 A 67 TYR H A 20 LEU HD2% 1.0 1.8 5.06 477 308 A 67 TYR H A 20 LEU HD1% 1.0 1.8 5.06 478 309 A 67 TYR HD% A 20 LEU HD2% 1.0 1.8 3.80 479 309 A 67 TYR HD% A 20 LEU HD1% 1.0 1.8 3.80 480 310 A 67 TYR HE% A 20 LEU HD2% 1.0 1.8 3.56 481 310 A 67 TYR HE% A 20 LEU HD1% 1.0 1.8 3.56 482 311 A 68 ASN H A 20 LEU HD2% 1.0 1.8 3.94 483 311 A 20 LEU HD1% A 68 ASN H 1.0 1.8 3.94 484 312 A 71 ASN H A 20 LEU HD2% 1.0 1.8 5.75 485 312 A 20 LEU HD1% A 71 ASN H 1.0 1.8 5.75 486 313 A 20 LEU HD1% A 71 ASN HBy 1.0 1.8 3.76 487 313 A 20 LEU HD2% A 71 ASN HBy 1.0 1.8 3.76 488 313 A 71 ASN HBx A 20 LEU HD2% 1.0 1.8 3.76 489 313 A 20 LEU HD1% A 71 ASN HBx 1.0 1.8 3.76 490 314 A 72 VAL H A 20 LEU HD2% 1.0 1.8 4.62 491 314 A 20 LEU HD1% A 72 VAL H 1.0 1.8 4.62 492 315 A 75 ARG H A 20 LEU HD2% 1.0 1.8 4.97 493 315 A 20 LEU HD1% A 75 ARG H 1.0 1.8 4.97 494 316 A 20 LEU HD1% A 75 ARG HDx 1.0 1.8 3.97 495 316 A 20 LEU HD2% A 75 ARG HDx 1.0 1.8 3.97 496 316 A 75 ARG HDy A 20 LEU HD2% 1.0 1.8 3.97 497 316 A 20 LEU HD1% A 75 ARG HDy 1.0 1.8 3.97 498 317 A 20 LEU HD1% A 75 ARG HGx 1.0 1.8 5.85 499 317 A 75 ARG HGy A 20 LEU HD2% 1.0 1.8 5.85 500 317 A 20 LEU HD1% A 75 ARG HGy 1.0 1.8 5.85 501 317 A 20 LEU HD2% A 75 ARG HGx 1.0 1.8 5.85 502 318 A 21 CYS H A 20 LEU HD1% 1.0 1.8 5.64 503 319 A 67 TYR H A 20 LEU HD1% 1.0 1.8 5.90 504 320 A 67 TYR HD% A 20 LEU HD1% 1.0 1.8 4.72 505 321 A 20 LEU HD1% A 72 VAL HA 1.0 1.8 4.64 506 322 A 20 LEU HD1% A 75 ARG H 1.0 1.8 6.00 507 323 A 21 CYS H A 20 LEU HD2% 1.0 1.8 5.64 508 324 A 67 TYR HD% A 20 LEU HD2% 1.0 1.8 4.72 509 325 A 72 VAL HA A 20 LEU HD2% 1.0 1.8 4.64 510 326 A 21 CYS HA A 22 PHE H 1.0 1.8 3.89 511 327 A 21 CYS HA A 22 PHE HE% 1.0 1.8 5.75 512 328 A 21 CYS HA A 46 ILE HG2% 1.0 1.8 5.94 513 329 A 64 VAL HA A 21 CYS HA 1.0 1.8 4.82 514 330 A 21 CYS HA A 64 VAL HG2% 1.0 1.8 4.95 515 330 A 64 VAL HG1% A 21 CYS HA 1.0 1.8 4.95 516 331 A 64 VAL HG1% A 21 CYS HA 1.0 1.8 6.00 517 332 A 21 CYS HA A 64 VAL HG2% 1.0 1.8 6.00 518 333 A 65 LEU H A 21 CYS HA 1.0 1.8 4.72 519 334 A 21 CYS HA A 65 LEU HBx 1.0 1.8 5.87 520 334 A 21 CYS HA A 65 LEU HBy 1.0 1.8 5.87 521 335 A 21 CYS HA A 65 LEU HD2% 1.0 1.8 5.98 522 335 A 21 CYS HA A 65 LEU HD1% 1.0 1.8 5.98 523 336 A 21 CYS H A 21 CYS HBy 1.0 1.8 4.58 524 337 A 21 CYS H A 21 CYS HBx 1.0 1.8 4.58 525 338 A 21 CYS H A 27 ILE HA 1.0 1.8 5.90 526 339 A 21 CYS H A 27 ILE HG2% 1.0 1.8 4.26 527 340 A 21 CYS H A 28 TYR HA 1.0 1.8 5.79 528 341 A 21 CYS H A 28 TYR H 1.0 1.8 4.15 529 342 A 21 CYS H A 28 TYR HBy 1.0 1.8 5.36 530 343 A 21 CYS H A 28 TYR HD% 1.0 1.8 5.98 531 344 A 21 CYS H A 29 GLU HA 1.0 1.8 4.99 532 345 A 21 CYS H A 29 GLU H 1.0 1.8 5.81 533 346 A 30 ALA H A 21 CYS H 1.0 1.8 4.97 534 347 A 21 CYS H A 30 ALA HB% 1.0 1.8 4.68 535 348 A 21 CYS H A 46 ILE HG2% 1.0 1.8 5.62 536 349 A 21 CYS H A 64 VAL HG2% 1.0 1.8 5.98 537 349 A 64 VAL HG1% A 21 CYS H 1.0 1.8 5.98 538 350 A 22 PHE H A 21 CYS HBy 1.0 1.8 4.48 539 350 A 21 CYS HBx A 22 PHE H 1.0 1.8 4.48 540 351 A 28 TYR H A 21 CYS HBy 1.0 1.8 5.71 541 351 A 21 CYS HBx A 28 TYR H 1.0 1.8 5.71 542 352 A 28 TYR HBx A 21 CYS HBy 1.0 1.8 5.82 543 352 A 21 CYS HBx A 28 TYR HBx 1.0 1.8 5.82 544 353 A 30 ALA H A 21 CYS HBy 1.0 1.8 5.38 545 353 A 30 ALA H A 21 CYS HBx 1.0 1.8 5.38 546 354 A 31 LYS H A 21 CYS HBy 1.0 1.8 5.87 547 354 A 31 LYS H A 21 CYS HBx 1.0 1.8 5.87 548 355 A 46 ILE HD1% A 21 CYS HBy 1.0 1.8 5.10 549 355 A 46 ILE HD1% A 21 CYS HBx 1.0 1.8 5.10 550 356 A 48 TYR HE% A 21 CYS HBy 1.0 1.8 4.87 551 356 A 21 CYS HBx A 48 TYR HE% 1.0 1.8 4.87 552 357 A 22 PHE H A 21 CYS HBy 1.0 1.8 5.30 553 358 A 30 ALA HB% A 21 CYS HBy 1.0 1.8 4.32 554 359 A 21 CYS HBx A 22 PHE H 1.0 1.8 5.30 555 360 A 21 CYS HBx A 30 ALA HB% 1.0 1.8 4.32 556 361 A 22 PHE HA A 23 HIS H 1.0 1.8 3.83 557 362 A 27 ILE HA A 22 PHE HA 1.0 1.8 4.75 558 363 A 22 PHE HA A 27 ILE H 1.0 1.8 5.92 559 364 A 22 PHE HA A 27 ILE HD1% 1.0 1.8 5.88 560 365 A 27 ILE HG2% A 22 PHE HA 1.0 1.8 5.49 561 366 A 28 TYR H A 22 PHE HA 1.0 1.8 4.79 562 367 A 22 PHE HA A 28 TYR HE% 1.0 1.8 5.14 563 368 A 22 PHE H A 22 PHE HBy 1.0 1.8 4.53 564 369 A 22 PHE H A 22 PHE HBx 1.0 1.8 4.53 565 370 A 22 PHE H A 22 PHE HE% 1.0 1.8 4.91 566 371 A 28 TYR H A 22 PHE H 1.0 1.8 5.85 567 372 A 22 PHE H A 28 TYR HD% 1.0 1.8 5.46 568 373 A 22 PHE H A 63 ARG HA 1.0 1.8 6.00 569 374 A 22 PHE H A 63 ARG HGx 1.0 1.8 5.12 570 374 A 22 PHE H A 63 ARG HGy 1.0 1.8 5.12 571 375 A 64 VAL HA A 22 PHE H 1.0 1.8 5.37 572 376 A 22 PHE H A 64 VAL HG2% 1.0 1.8 5.98 573 376 A 64 VAL HG1% A 22 PHE H 1.0 1.8 5.98 574 377 A 65 LEU H A 22 PHE H 1.0 1.8 5.79 575 378 A 22 PHE H A 65 LEU HD2% 1.0 1.8 5.98 576 378 A 22 PHE H A 65 LEU HD1% 1.0 1.8 5.98 577 379 A 23 HIS H A 22 PHE HBy 1.0 1.8 4.33 578 379 A 23 HIS H A 22 PHE HBx 1.0 1.8 4.33 579 380 A 27 ILE HD1% A 22 PHE HBy 1.0 1.8 5.31 580 380 A 27 ILE HD1% A 22 PHE HBx 1.0 1.8 5.31 581 381 A 27 ILE HG2% A 22 PHE HBy 1.0 1.8 5.40 582 381 A 27 ILE HG2% A 22 PHE HBx 1.0 1.8 5.40 583 382 A 28 TYR HD% A 22 PHE HBy 1.0 1.8 4.60 584 382 A 28 TYR HD% A 22 PHE HBx 1.0 1.8 4.60 585 383 A 28 TYR HE% A 22 PHE HBy 1.0 1.8 5.22 586 383 A 28 TYR HE% A 22 PHE HBx 1.0 1.8 5.22 587 384 A 23 HIS H A 22 PHE HBy 1.0 1.8 5.00 588 385 A 28 TYR HD% A 22 PHE HBy 1.0 1.8 5.09 589 386 A 23 HIS H A 22 PHE HBx 1.0 1.8 5.00 590 387 A 28 TYR HD% A 22 PHE HBx 1.0 1.8 4.99 591 388 A 27 ILE HG2% A 22 PHE HE% 1.0 1.8 5.95 592 389 A 22 PHE HE% A 63 ARG HA 1.0 1.8 4.77 593 390 A 22 PHE HE% A 63 ARG HGx 1.0 1.8 5.71 594 390 A 22 PHE HE% A 63 ARG HGy 1.0 1.8 5.71 595 391 A 22 PHE HE% A 65 LEU HD2% 1.0 1.8 5.39 596 391 A 22 PHE HE% A 65 LEU HD1% 1.0 1.8 5.39 597 392 A 23 HIS H A 26 LEU H 1.0 1.8 5.75 598 393 A 27 ILE HA A 23 HIS H 1.0 1.8 4.88 599 394 A 23 HIS H A 27 ILE HG1x 1.0 1.8 6.00 600 394 A 23 HIS H A 27 ILE HG1y 1.0 1.8 6.00 601 395 A 28 TYR H A 23 HIS H 1.0 1.8 5.73 602 396 A 28 TYR HD% A 23 HIS H 1.0 1.8 4.81 603 397 A 23 HIS H A 28 TYR HE% 1.0 1.8 4.88 604 398 A 26 LEU HA A 26 LEU HD2% 1.0 1.8 3.73 605 398 A 26 LEU HA A 26 LEU HD1% 1.0 1.8 3.73 606 399 A 26 LEU HA A 26 LEU HD1% 1.0 1.8 4.70 607 400 A 26 LEU HA A 26 LEU HD2% 1.0 1.8 4.70 608 401 A 27 ILE HD1% A 26 LEU HA 1.0 1.8 5.49 609 402 A 27 ILE HG2% A 26 LEU HA 1.0 1.8 6.00 610 403 A 28 TYR HE% A 26 LEU HA 1.0 1.8 5.73 611 404 A 26 LEU HA A 78 LEU HBy 1.0 1.8 6.00 612 405 A 26 LEU HA A 78 LEU HD2% 1.0 1.8 4.30 613 405 A 26 LEU HA A 78 LEU HD1% 1.0 1.8 4.30 614 406 A 26 LEU HA A 78 LEU HD1% 1.0 1.8 5.02 615 407 A 26 LEU HA A 78 LEU HD2% 1.0 1.8 5.02 616 408 A 26 LEU HA A 79 ALA HB% 1.0 1.8 6.00 617 409 A 27 ILE H A 26 LEU HG 1.0 1.8 5.88 618 410 A 28 TYR HE% A 26 LEU HG 1.0 1.8 5.41 619 411 A 26 LEU HG A 78 LEU HBx 1.0 1.8 5.68 620 412 A 26 LEU H A 26 LEU HD2% 1.0 1.8 5.23 621 412 A 26 LEU H A 26 LEU HD1% 1.0 1.8 5.23 622 413 A 27 ILE H A 26 LEU H 1.0 1.8 6.00 623 414 A 26 LEU H A 78 LEU HD2% 1.0 1.8 4.92 624 414 A 26 LEU H A 78 LEU HD1% 1.0 1.8 4.92 625 415 A 26 LEU H A 78 LEU HD1% 1.0 1.8 5.69 626 416 A 26 LEU H A 78 LEU HD2% 1.0 1.8 5.69 627 417 A 27 ILE H A 26 LEU HBx 1.0 1.8 4.17 628 417 A 27 ILE H A 26 LEU HBy 1.0 1.8 4.17 629 418 A 27 ILE HD1% A 26 LEU HBx 1.0 1.8 5.97 630 418 A 27 ILE HD1% A 26 LEU HBy 1.0 1.8 5.97 631 419 A 28 TYR HD% A 26 LEU HBx 1.0 1.8 5.10 632 419 A 28 TYR HD% A 26 LEU HBy 1.0 1.8 5.10 633 420 A 28 TYR HE% A 26 LEU HBx 1.0 1.8 4.97 634 420 A 28 TYR HE% A 26 LEU HBy 1.0 1.8 4.97 635 421 A 27 ILE H A 26 LEU HBy 1.0 1.8 4.94 636 422 A 27 ILE HD1% A 26 LEU HBy 1.0 1.8 5.98 637 423 A 27 ILE H A 26 LEU HBx 1.0 1.8 4.94 638 424 A 27 ILE HA A 26 LEU HD2% 1.0 1.8 5.68 639 424 A 27 ILE HA A 26 LEU HD1% 1.0 1.8 5.68 640 425 A 28 TYR H A 26 LEU HD2% 1.0 1.8 5.63 641 425 A 28 TYR H A 26 LEU HD1% 1.0 1.8 5.63 642 426 A 28 TYR HD% A 26 LEU HD2% 1.0 1.8 4.99 643 426 A 28 TYR HD% A 26 LEU HD1% 1.0 1.8 4.99 644 427 A 28 TYR HE% A 26 LEU HD2% 1.0 1.8 4.06 645 427 A 28 TYR HE% A 26 LEU HD1% 1.0 1.8 4.06 646 428 A 78 LEU H A 26 LEU HD2% 1.0 1.8 5.47 647 428 A 26 LEU HD1% A 78 LEU H 1.0 1.8 5.47 648 429 A 78 LEU HBy A 26 LEU HD2% 1.0 1.8 4.91 649 429 A 26 LEU HD1% A 78 LEU HBy 1.0 1.8 4.91 650 430 A 79 ALA HA A 26 LEU HD2% 1.0 1.8 3.82 651 430 A 26 LEU HD1% A 79 ALA HA 1.0 1.8 3.82 652 431 A 79 ALA H A 26 LEU HD2% 1.0 1.8 4.73 653 431 A 26 LEU HD1% A 79 ALA H 1.0 1.8 4.73 654 432 A 79 ALA HB% A 26 LEU HD2% 1.0 1.8 3.60 655 432 A 26 LEU HD1% A 79 ALA HB% 1.0 1.8 3.60 656 433 A 80 ARG H A 26 LEU HD2% 1.0 1.8 5.31 657 433 A 26 LEU HD1% A 80 ARG H 1.0 1.8 5.31 658 434 A 81 GLN H A 26 LEU HD2% 1.0 1.8 5.83 659 434 A 26 LEU HD1% A 81 GLN H 1.0 1.8 5.83 660 435 A 26 LEU HD2% A 81 GLN HBx 1.0 1.8 5.41 661 435 A 26 LEU HD1% A 81 GLN HBx 1.0 1.8 5.41 662 435 A 81 GLN HBy A 26 LEU HD2% 1.0 1.8 5.41 663 435 A 26 LEU HD1% A 81 GLN HBy 1.0 1.8 5.41 664 436 A 82 CYS HA A 26 LEU HD2% 1.0 1.8 5.21 665 436 A 26 LEU HD1% A 82 CYS HA 1.0 1.8 5.21 666 437 A 82 CYS H A 26 LEU HD2% 1.0 1.8 5.92 667 437 A 26 LEU HD1% A 82 CYS H 1.0 1.8 5.92 668 438 A 26 LEU HD2% A 82 CYS HBy 1.0 1.8 4.06 669 438 A 26 LEU HD1% A 82 CYS HBy 1.0 1.8 4.06 670 438 A 82 CYS HBx A 26 LEU HD2% 1.0 1.8 4.06 671 438 A 26 LEU HD1% A 82 CYS HBx 1.0 1.8 4.06 672 439 A 27 ILE H A 26 LEU HD1% 1.0 1.8 4.44 673 440 A 28 TYR HE% A 26 LEU HD1% 1.0 1.8 5.38 674 441 A 26 LEU HD1% A 79 ALA HA 1.0 1.8 4.82 675 442 A 26 LEU HD1% A 79 ALA HB% 1.0 1.8 5.25 676 443 A 26 LEU HD1% A 82 CYS HA 1.0 1.8 6.00 677 444 A 27 ILE H A 26 LEU HD2% 1.0 1.8 4.44 678 445 A 28 TYR HE% A 26 LEU HD2% 1.0 1.8 5.38 679 446 A 79 ALA HA A 26 LEU HD2% 1.0 1.8 4.82 680 447 A 79 ALA HB% A 26 LEU HD2% 1.0 1.8 5.25 681 448 A 82 CYS HA A 26 LEU HD2% 1.0 1.8 6.00 682 449 A 27 ILE HA A 27 ILE HD1% 1.0 1.8 5.02 683 450 A 27 ILE HG2% A 27 ILE HA 1.0 1.8 4.62 684 451 A 27 ILE HA A 28 TYR HD% 1.0 1.8 4.98 685 452 A 27 ILE HD1% A 27 ILE HB 1.0 1.8 3.52 686 453 A 28 TYR H A 27 ILE HB 1.0 1.8 6.00 687 454 A 27 ILE HB A 74 ARG HBx 1.0 1.8 5.26 688 454 A 27 ILE HB A 74 ARG HBy 1.0 1.8 5.26 689 455 A 27 ILE HB A 75 ARG HA 1.0 1.8 4.52 690 456 A 75 ARG H A 27 ILE HB 1.0 1.8 5.04 691 457 A 27 ILE HB A 75 ARG HBx 1.0 1.8 5.08 692 457 A 27 ILE HB A 75 ARG HBy 1.0 1.8 5.08 693 458 A 27 ILE HB A 75 ARG HGx 1.0 1.8 5.02 694 458 A 75 ARG HGy A 27 ILE HB 1.0 1.8 5.02 695 459 A 27 ILE H A 27 ILE HD1% 1.0 1.8 5.05 696 460 A 27 ILE H A 27 ILE HG1x 1.0 1.8 5.46 697 460 A 27 ILE H A 27 ILE HG1y 1.0 1.8 5.46 698 461 A 27 ILE H A 27 ILE HG1x 1.0 1.8 5.65 699 461 A 27 ILE H A 27 ILE HG1y 1.0 1.8 5.65 700 462 A 28 TYR H A 27 ILE H 1.0 1.8 5.68 701 463 A 27 ILE H A 28 TYR HE% 1.0 1.8 5.79 702 464 A 27 ILE H A 75 ARG HBx 1.0 1.8 6.00 703 464 A 27 ILE H A 75 ARG HBy 1.0 1.8 6.00 704 465 A 27 ILE H A 78 LEU HBy 1.0 1.8 5.63 705 466 A 27 ILE H A 78 LEU HBx 1.0 1.8 5.33 706 467 A 27 ILE H A 78 LEU HD2% 1.0 1.8 5.00 707 467 A 27 ILE H A 78 LEU HD1% 1.0 1.8 5.00 708 468 A 27 ILE H A 78 LEU HD1% 1.0 1.8 6.00 709 469 A 27 ILE H A 78 LEU HD2% 1.0 1.8 6.00 710 470 A 27 ILE H A 79 ALA HB% 1.0 1.8 6.00 711 471 A 28 TYR H A 27 ILE HD1% 1.0 1.8 5.41 712 472 A 27 ILE HD1% A 65 LEU HD2% 1.0 1.8 3.75 713 472 A 65 LEU HD1% A 27 ILE HD1% 1.0 1.8 3.75 714 473 A 27 ILE HD1% A 74 ARG H 1.0 1.8 6.00 715 474 A 27 ILE HD1% A 74 ARG HBx 1.0 1.8 5.25 716 474 A 27 ILE HD1% A 74 ARG HBy 1.0 1.8 5.25 717 475 A 27 ILE HD1% A 74 ARG HDx 1.0 1.8 5.16 718 475 A 27 ILE HD1% A 74 ARG HDy 1.0 1.8 5.16 719 476 A 27 ILE HD1% A 74 ARG HGx 1.0 1.8 4.97 720 476 A 27 ILE HD1% A 74 ARG HGy 1.0 1.8 4.97 721 477 A 27 ILE HD1% A 75 ARG HA 1.0 1.8 4.37 722 478 A 75 ARG H A 27 ILE HD1% 1.0 1.8 4.66 723 479 A 27 ILE HD1% A 75 ARG HGx 1.0 1.8 6.00 724 479 A 75 ARG HGy A 27 ILE HD1% 1.0 1.8 6.00 725 480 A 27 ILE HD1% A 78 LEU HG 1.0 1.8 5.70 726 481 A 27 ILE HD1% A 78 LEU HBy 1.0 1.8 5.19 727 482 A 27 ILE HD1% A 78 LEU HD2% 1.0 1.8 3.94 728 482 A 27 ILE HD1% A 78 LEU HD1% 1.0 1.8 3.94 729 483 A 28 TYR H A 27 ILE HG1x 1.0 1.8 5.24 730 483 A 28 TYR H A 27 ILE HG1y 1.0 1.8 5.24 731 484 A 28 TYR H A 27 ILE HG1x 1.0 1.8 5.62 732 484 A 28 TYR H A 27 ILE HG1y 1.0 1.8 5.62 733 485 A 27 ILE HG1y A 65 LEU HD2% 1.0 1.8 5.08 734 485 A 27 ILE HG1x A 65 LEU HD2% 1.0 1.8 5.08 735 485 A 65 LEU HD1% A 27 ILE HG1x 1.0 1.8 5.08 736 485 A 65 LEU HD1% A 27 ILE HG1y 1.0 1.8 5.08 737 486 A 27 ILE HG1y A 75 ARG HBx 1.0 1.8 6.00 738 486 A 27 ILE HG1x A 75 ARG HBx 1.0 1.8 6.00 739 486 A 75 ARG HBy A 27 ILE HG1x 1.0 1.8 6.00 740 486 A 27 ILE HG1y A 75 ARG HBy 1.0 1.8 6.00 741 487 A 27 ILE HG1x A 78 LEU HD2% 1.0 1.8 4.93 742 487 A 78 LEU HD1% A 27 ILE HG1x 1.0 1.8 4.93 743 487 A 27 ILE HG1y A 78 LEU HD1% 1.0 1.8 4.93 744 487 A 27 ILE HG1y A 78 LEU HD2% 1.0 1.8 4.93 745 488 A 27 ILE HG2% A 27 ILE HG1x 1.0 1.8 4.65 746 488 A 27 ILE HG2% A 27 ILE HG1y 1.0 1.8 4.65 747 489 A 27 ILE HG2% A 28 TYR HA 1.0 1.8 5.30 748 490 A 27 ILE HG2% A 28 TYR H 1.0 1.8 4.28 749 491 A 27 ILE HG2% A 28 TYR HBx 1.0 1.8 6.00 750 492 A 27 ILE HG2% A 65 LEU HG 1.0 1.8 6.00 751 493 A 27 ILE HG2% A 65 LEU HBx 1.0 1.8 5.43 752 493 A 27 ILE HG2% A 65 LEU HBy 1.0 1.8 5.43 753 494 A 27 ILE HG2% A 65 LEU HD2% 1.0 1.8 3.65 754 494 A 27 ILE HG2% A 65 LEU HD1% 1.0 1.8 3.65 755 495 A 27 ILE HG2% A 74 ARG HBx 1.0 1.8 5.26 756 495 A 27 ILE HG2% A 74 ARG HBy 1.0 1.8 5.26 757 496 A 27 ILE HG2% A 75 ARG HBx 1.0 1.8 4.03 758 496 A 27 ILE HG2% A 75 ARG HBy 1.0 1.8 4.03 759 497 A 27 ILE HG2% A 75 ARG HDx 1.0 1.8 4.61 760 497 A 27 ILE HG2% A 75 ARG HDy 1.0 1.8 4.61 761 498 A 27 ILE HG2% A 75 ARG HGx 1.0 1.8 5.30 762 498 A 27 ILE HG2% A 75 ARG HGy 1.0 1.8 5.30 763 499 A 28 TYR HA A 28 TYR HD% 1.0 1.8 3.96 764 500 A 29 GLU H A 28 TYR HA 1.0 1.8 3.76 765 501 A 28 TYR H A 28 TYR HD% 1.0 1.8 4.83 766 502 A 28 TYR H A 28 TYR HE% 1.0 1.8 5.07 767 503 A 28 TYR H A 48 TYR HE% 1.0 1.8 6.00 768 504 A 29 GLU HA A 28 TYR HBy 1.0 1.8 5.74 769 505 A 28 TYR HBy A 48 TYR HD% 1.0 1.8 4.70 770 506 A 28 TYR HBy A 48 TYR HE% 1.0 1.8 4.12 771 507 A 29 GLU H A 28 TYR HBx 1.0 1.8 4.30 772 508 A 28 TYR HBx A 48 TYR HD% 1.0 1.8 5.16 773 509 A 28 TYR HBx A 48 TYR HE% 1.0 1.8 5.08 774 510 A 29 GLU H A 28 TYR HD% 1.0 1.8 5.02 775 511 A 28 TYR HD% A 48 TYR HE% 1.0 1.8 4.81 776 512 A 29 GLU HA A 29 GLU HGx 1.0 1.8 4.68 777 512 A 29 GLU HGy A 29 GLU HA 1.0 1.8 4.68 778 513 A 30 ALA H A 29 GLU HA 1.0 1.8 3.63 779 514 A 29 GLU HA A 49 ALA HB% 1.0 1.8 5.69 780 515 A 67 TYR HE% A 29 GLU HA 1.0 1.8 6.00 781 516 A 29 GLU H A 29 GLU HGx 1.0 1.8 4.49 782 516 A 29 GLU HGy A 29 GLU H 1.0 1.8 4.49 783 517 A 30 ALA H A 29 GLU H 1.0 1.8 5.05 784 518 A 30 ALA HB% A 29 GLU H 1.0 1.8 5.88 785 519 A 29 GLU H A 49 ALA H 1.0 1.8 5.85 786 520 A 29 GLU H A 49 ALA HB% 1.0 1.8 5.40 787 521 A 29 GLU H A 75 ARG HDx 1.0 1.8 6.00 788 521 A 29 GLU H A 75 ARG HDy 1.0 1.8 6.00 789 522 A 30 ALA H A 29 GLU HGx 1.0 1.8 4.40 790 522 A 29 GLU HGy A 30 ALA H 1.0 1.8 4.40 791 523 A 67 TYR HE% A 29 GLU HGx 1.0 1.8 4.54 792 523 A 67 TYR HE% A 29 GLU HGy 1.0 1.8 4.54 793 524 A 30 ALA HA A 48 TYR HA 1.0 1.8 4.63 794 525 A 49 ALA H A 30 ALA HA 1.0 1.8 3.96 795 526 A 30 ALA H A 30 ALA HB% 1.0 1.8 4.06 796 527 A 31 LYS H A 30 ALA H 1.0 1.8 5.41 797 528 A 30 ALA H A 31 LYS HBx 1.0 1.8 5.67 798 528 A 30 ALA H A 31 LYS HBy 1.0 1.8 5.67 799 529 A 30 ALA H A 49 ALA H 1.0 1.8 5.84 800 530 A 30 ALA H A 49 ALA HB% 1.0 1.8 5.79 801 531 A 31 LYS H A 30 ALA HB% 1.0 1.8 3.69 802 532 A 30 ALA HB% A 46 ILE HG2% 1.0 1.8 3.71 803 533 A 30 ALA HB% A 48 TYR HA 1.0 1.8 4.21 804 534 A 30 ALA HB% A 48 TYR H 1.0 1.8 5.63 805 535 A 30 ALA HB% A 48 TYR HD% 1.0 1.8 4.76 806 536 A 30 ALA HB% A 48 TYR HE% 1.0 1.8 5.65 807 537 A 30 ALA HB% A 49 ALA H 1.0 1.8 4.80 808 538 A 31 LYS HA A 31 LYS HDx 1.0 1.8 4.60 809 538 A 31 LYS HDy A 31 LYS HA 1.0 1.8 4.60 810 539 A 31 LYS HA A 31 LYS HEx 1.0 1.8 5.41 811 539 A 31 LYS HEy A 31 LYS HA 1.0 1.8 5.41 812 540 A 32 VAL HA A 31 LYS HA 1.0 1.8 5.93 813 541 A 32 VAL HB A 31 LYS HA 1.0 1.8 5.58 814 542 A 32 VAL H A 31 LYS HA 1.0 1.8 3.61 815 543 A 31 LYS HA A 32 VAL HG2% 1.0 1.8 4.50 816 543 A 32 VAL HG1% A 31 LYS HA 1.0 1.8 4.50 817 544 A 31 LYS HA A 46 ILE HD1% 1.0 1.8 5.54 818 545 A 31 LYS H A 31 LYS HBx 1.0 1.8 4.07 819 545 A 31 LYS H A 31 LYS HBy 1.0 1.8 4.07 820 546 A 31 LYS H A 31 LYS HDx 1.0 1.8 5.41 821 546 A 31 LYS HDy A 31 LYS H 1.0 1.8 5.41 822 547 A 31 LYS H A 31 LYS HEx 1.0 1.8 5.32 823 547 A 31 LYS HEy A 31 LYS H 1.0 1.8 5.32 824 548 A 32 VAL H A 31 LYS H 1.0 1.8 5.26 825 549 A 31 LYS H A 32 VAL HG2% 1.0 1.8 5.49 826 549 A 32 VAL HG1% A 31 LYS H 1.0 1.8 5.49 827 550 A 31 LYS H A 46 ILE HA 1.0 1.8 5.16 828 551 A 31 LYS H A 46 ILE HD1% 1.0 1.8 4.90 829 552 A 31 LYS H A 46 ILE HG2% 1.0 1.8 4.62 830 553 A 31 LYS H A 47 HIS H 1.0 1.8 4.22 831 554 A 31 LYS H A 48 TYR HA 1.0 1.8 6.00 832 555 A 31 LYS H A 49 ALA H 1.0 1.8 5.73 833 556 A 31 LYS H A 49 ALA HB% 1.0 1.8 5.91 834 557 A 31 LYS HBy A 31 LYS HDx 1.0 1.8 4.04 835 557 A 31 LYS HBx A 31 LYS HDx 1.0 1.8 4.04 836 557 A 31 LYS HDy A 31 LYS HBx 1.0 1.8 4.04 837 557 A 31 LYS HDy A 31 LYS HBy 1.0 1.8 4.04 838 558 A 31 LYS HBy A 31 LYS HEx 1.0 1.8 3.43 839 558 A 31 LYS HBx A 31 LYS HEx 1.0 1.8 3.43 840 558 A 31 LYS HEy A 31 LYS HBx 1.0 1.8 3.43 841 558 A 31 LYS HEy A 31 LYS HBy 1.0 1.8 3.43 842 559 A 32 VAL HA A 31 LYS HBx 1.0 1.8 6.00 843 559 A 32 VAL HA A 31 LYS HBy 1.0 1.8 6.00 844 560 A 32 VAL H A 31 LYS HBx 1.0 1.8 4.99 845 560 A 32 VAL H A 31 LYS HBy 1.0 1.8 4.99 846 561 A 31 LYS HBy A 32 VAL HG2% 1.0 1.8 5.96 847 561 A 31 LYS HBx A 32 VAL HG2% 1.0 1.8 5.96 848 561 A 32 VAL HG1% A 31 LYS HBx 1.0 1.8 5.96 849 561 A 32 VAL HG1% A 31 LYS HBy 1.0 1.8 5.96 850 562 A 47 HIS H A 31 LYS HBx 1.0 1.8 4.93 851 562 A 31 LYS HBy A 47 HIS H 1.0 1.8 4.93 852 563 A 49 ALA HB% A 31 LYS HBx 1.0 1.8 4.91 853 563 A 31 LYS HBy A 49 ALA HB% 1.0 1.8 4.91 854 564 A 32 VAL HB A 31 LYS HDx 1.0 1.8 6.00 855 564 A 32 VAL HB A 31 LYS HDy 1.0 1.8 6.00 856 565 A 32 VAL H A 31 LYS HDx 1.0 1.8 4.58 857 565 A 31 LYS HDy A 32 VAL H 1.0 1.8 4.58 858 566 A 32 VAL HA A 31 LYS HEx 1.0 1.8 5.65 859 566 A 31 LYS HEy A 32 VAL HA 1.0 1.8 5.65 860 567 A 32 VAL H A 31 LYS HEx 1.0 1.8 5.36 861 567 A 31 LYS HEy A 32 VAL H 1.0 1.8 5.36 862 568 A 33 LEU HA A 31 LYS HEx 1.0 1.8 4.57 863 568 A 31 LYS HEy A 33 LEU HA 1.0 1.8 4.57 864 569 A 33 LEU H A 31 LYS HEx 1.0 1.8 5.79 865 569 A 31 LYS HEy A 33 LEU H 1.0 1.8 5.79 866 570 A 31 LYS HEx A 33 LEU HD2% 1.0 1.8 4.03 867 570 A 31 LYS HEy A 33 LEU HD2% 1.0 1.8 4.03 868 570 A 33 LEU HD1% A 31 LYS HEx 1.0 1.8 4.03 869 570 A 31 LYS HEy A 33 LEU HD1% 1.0 1.8 4.03 870 571 A 31 LYS HEy A 33 LEU HD1% 1.0 1.8 4.98 871 571 A 33 LEU HD1% A 31 LYS HEx 1.0 1.8 4.98 872 572 A 31 LYS HEx A 33 LEU HD2% 1.0 1.8 4.98 873 572 A 31 LYS HEy A 33 LEU HD2% 1.0 1.8 4.98 874 573 A 47 HIS HD2 A 31 LYS HEx 1.0 1.8 5.00 875 573 A 31 LYS HEy A 47 HIS HD2 1.0 1.8 5.00 876 574 A 31 LYS HEy A 31 LYS HGx 1.0 1.8 3.91 877 574 A 31 LYS HEx A 31 LYS HGx 1.0 1.8 3.91 878 574 A 31 LYS HGy A 31 LYS HEx 1.0 1.8 3.91 879 574 A 31 LYS HEy A 31 LYS HGy 1.0 1.8 3.91 880 575 A 32 VAL HA A 31 LYS HGx 1.0 1.8 6.00 881 575 A 32 VAL HA A 31 LYS HGy 1.0 1.8 6.00 882 576 A 32 VAL H A 31 LYS HGx 1.0 1.8 5.18 883 576 A 32 VAL H A 31 LYS HGy 1.0 1.8 5.18 884 577 A 31 LYS HGx A 32 VAL HG2% 1.0 1.8 5.98 885 577 A 31 LYS HGy A 32 VAL HG2% 1.0 1.8 5.98 886 577 A 32 VAL HG1% A 31 LYS HGx 1.0 1.8 5.98 887 577 A 32 VAL HG1% A 31 LYS HGy 1.0 1.8 5.98 888 578 A 47 HIS HD2 A 31 LYS HGx 1.0 1.8 5.16 889 578 A 31 LYS HGy A 47 HIS HD2 1.0 1.8 5.16 890 579 A 32 VAL HG1% A 32 VAL HA 1.0 1.8 4.58 891 580 A 32 VAL HA A 32 VAL HG2% 1.0 1.8 4.58 892 581 A 32 VAL HA A 33 LEU HD1% 1.0 1.8 6.00 893 582 A 34 LYS H A 32 VAL HA 1.0 1.8 4.49 894 583 A 32 VAL HA A 46 ILE HA 1.0 1.8 5.00 895 584 A 32 VAL HA A 46 ILE HD1% 1.0 1.8 4.27 896 585 A 32 VAL HA A 46 ILE HG2% 1.0 1.8 5.16 897 586 A 32 VAL HA A 47 HIS H 1.0 1.8 5.85 898 587 A 32 VAL HB A 33 LEU H 1.0 1.8 5.56 899 588 A 32 VAL HB A 34 LYS H 1.0 1.8 5.26 900 589 A 32 VAL HB A 46 ILE HD1% 1.0 1.8 4.88 901 590 A 32 VAL HB A 32 VAL H 1.0 1.8 3.83 902 591 A 32 VAL H A 32 VAL HG2% 1.0 1.8 3.59 903 591 A 32 VAL HG1% A 32 VAL H 1.0 1.8 3.59 904 592 A 32 VAL HG1% A 32 VAL H 1.0 1.8 4.43 905 593 A 32 VAL H A 32 VAL HG2% 1.0 1.8 4.43 906 594 A 32 VAL H A 33 LEU H 1.0 1.8 5.80 907 595 A 32 VAL H A 46 ILE HD1% 1.0 1.8 5.24 908 596 A 32 VAL H A 64 VAL HG2% 1.0 1.8 5.93 909 596 A 64 VAL HG1% A 32 VAL H 1.0 1.8 5.93 910 597 A 33 LEU HA A 32 VAL HG2% 1.0 1.8 5.19 911 597 A 32 VAL HG1% A 33 LEU HA 1.0 1.8 5.19 912 598 A 33 LEU H A 32 VAL HG2% 1.0 1.8 4.20 913 598 A 32 VAL HG1% A 33 LEU H 1.0 1.8 4.20 914 599 A 34 LYS HA A 32 VAL HG2% 1.0 1.8 4.65 915 599 A 32 VAL HG1% A 34 LYS HA 1.0 1.8 4.65 916 600 A 34 LYS H A 32 VAL HG2% 1.0 1.8 3.83 917 600 A 32 VAL HG1% A 34 LYS H 1.0 1.8 3.83 918 601 A 34 LYS HBx A 32 VAL HG2% 1.0 1.8 5.27 919 601 A 32 VAL HG1% A 34 LYS HBx 1.0 1.8 5.27 920 602 A 35 THR H A 32 VAL HG2% 1.0 1.8 5.56 921 602 A 32 VAL HG1% A 35 THR H 1.0 1.8 5.56 922 603 A 35 THR HG2% A 32 VAL HG2% 1.0 1.8 3.84 923 603 A 32 VAL HG1% A 35 THR HG2% 1.0 1.8 3.84 924 604 A 44 TYR HA A 32 VAL HG2% 1.0 1.8 5.14 925 604 A 32 VAL HG1% A 44 TYR HA 1.0 1.8 5.14 926 605 A 44 TYR HBy A 32 VAL HG2% 1.0 1.8 5.81 927 605 A 32 VAL HG1% A 44 TYR HBy 1.0 1.8 5.81 928 606 A 44 TYR HBx A 32 VAL HG2% 1.0 1.8 4.43 929 606 A 32 VAL HG1% A 44 TYR HBx 1.0 1.8 4.43 930 607 A 44 TYR HD% A 32 VAL HG2% 1.0 1.8 3.99 931 607 A 32 VAL HG1% A 44 TYR HD% 1.0 1.8 3.99 932 608 A 44 TYR HE% A 32 VAL HG2% 1.0 1.8 5.05 933 608 A 44 TYR HE% A 32 VAL HG1% 1.0 1.8 5.05 934 609 A 45 TYR H A 32 VAL HG2% 1.0 1.8 4.80 935 609 A 32 VAL HG1% A 45 TYR H 1.0 1.8 4.80 936 610 A 46 ILE HD1% A 32 VAL HG2% 1.0 1.8 3.30 937 610 A 32 VAL HG1% A 46 ILE HD1% 1.0 1.8 3.30 938 611 A 32 VAL HG1% A 46 ILE HG1x 1.0 1.8 5.56 939 611 A 32 VAL HG2% A 46 ILE HG1x 1.0 1.8 5.56 940 611 A 46 ILE HG1y A 32 VAL HG2% 1.0 1.8 5.56 941 611 A 32 VAL HG1% A 46 ILE HG1y 1.0 1.8 5.56 942 612 A 46 ILE HG2% A 32 VAL HG2% 1.0 1.8 4.75 943 612 A 32 VAL HG1% A 46 ILE HG2% 1.0 1.8 4.75 944 613 A 64 VAL HB A 32 VAL HG2% 1.0 1.8 5.98 945 613 A 32 VAL HG1% A 64 VAL HB 1.0 1.8 5.98 946 614 A 32 VAL HG2% A 64 VAL HG2% 1.0 1.8 4.96 947 614 A 32 VAL HG1% A 64 VAL HG2% 1.0 1.8 4.96 948 614 A 64 VAL HG1% A 32 VAL HG2% 1.0 1.8 4.96 949 614 A 32 VAL HG1% A 64 VAL HG1% 1.0 1.8 4.96 950 615 A 32 VAL HG1% A 33 LEU H 1.0 1.8 4.94 951 616 A 32 VAL HG1% A 35 THR HG2% 1.0 1.8 4.86 952 617 A 32 VAL HG1% A 44 TYR HBx 1.0 1.8 4.65 953 618 A 32 VAL HG1% A 46 ILE HD1% 1.0 1.8 3.87 954 619 A 33 LEU H A 32 VAL HG2% 1.0 1.8 4.94 955 620 A 35 THR HG2% A 32 VAL HG2% 1.0 1.8 5.36 956 621 A 44 TYR HBx A 32 VAL HG2% 1.0 1.8 4.95 957 622 A 46 ILE HD1% A 32 VAL HG2% 1.0 1.8 3.87 958 623 A 33 LEU HA A 33 LEU HD2% 1.0 1.8 3.98 959 623 A 33 LEU HA A 33 LEU HD1% 1.0 1.8 3.98 960 624 A 33 LEU HA A 33 LEU HD1% 1.0 1.8 5.60 961 625 A 33 LEU HA A 33 LEU HD2% 1.0 1.8 5.60 962 626 A 34 LYS H A 33 LEU HG 1.0 1.8 5.05 963 627 A 33 LEU HG A 45 TYR HD% 1.0 1.8 4.94 964 628 A 33 LEU H A 33 LEU HG 1.0 1.8 4.83 965 629 A 33 LEU H A 33 LEU HD2% 1.0 1.8 4.21 966 629 A 33 LEU H A 33 LEU HD1% 1.0 1.8 4.21 967 630 A 33 LEU H A 33 LEU HD1% 1.0 1.8 5.03 968 631 A 33 LEU H A 33 LEU HD2% 1.0 1.8 5.03 969 632 A 33 LEU H A 34 LYS HA 1.0 1.8 5.93 970 633 A 34 LYS H A 33 LEU H 1.0 1.8 3.69 971 634 A 33 LEU H A 45 TYR H 1.0 1.8 5.47 972 635 A 33 LEU H A 46 ILE HA 1.0 1.8 4.91 973 636 A 33 LEU H A 46 ILE HD1% 1.0 1.8 5.00 974 637 A 33 LEU H A 47 HIS H 1.0 1.8 5.41 975 638 A 33 LEU HBx A 33 LEU HD2% 1.0 1.8 3.12 976 638 A 33 LEU HBy A 33 LEU HD2% 1.0 1.8 3.12 977 638 A 33 LEU HD1% A 33 LEU HBx 1.0 1.8 3.12 978 638 A 33 LEU HBy A 33 LEU HD1% 1.0 1.8 3.12 979 639 A 34 LYS H A 33 LEU HBx 1.0 1.8 4.47 980 639 A 34 LYS H A 33 LEU HBy 1.0 1.8 4.47 981 640 A 45 TYR HD% A 33 LEU HBx 1.0 1.8 3.82 982 640 A 33 LEU HBy A 45 TYR HD% 1.0 1.8 3.82 983 641 A 34 LYS H A 33 LEU HD2% 1.0 1.8 4.48 984 641 A 34 LYS H A 33 LEU HD1% 1.0 1.8 4.48 985 642 A 34 LYS HBy A 33 LEU HD2% 1.0 1.8 4.24 986 642 A 33 LEU HD1% A 34 LYS HBy 1.0 1.8 4.24 987 643 A 33 LEU HD2% A 34 LYS HEx 1.0 1.8 4.37 988 643 A 34 LYS HEy A 33 LEU HD2% 1.0 1.8 4.37 989 643 A 33 LEU HD1% A 34 LYS HEy 1.0 1.8 4.37 990 643 A 33 LEU HD1% A 34 LYS HEx 1.0 1.8 4.37 991 644 A 45 TYR HD% A 33 LEU HD2% 1.0 1.8 3.83 992 644 A 33 LEU HD1% A 45 TYR HD% 1.0 1.8 3.83 993 645 A 45 TYR HE% A 33 LEU HD2% 1.0 1.8 3.77 994 645 A 33 LEU HD1% A 45 TYR HE% 1.0 1.8 3.77 995 646 A 47 HIS HD2 A 33 LEU HD2% 1.0 1.8 5.80 996 646 A 33 LEU HD1% A 47 HIS HD2 1.0 1.8 5.80 997 647 A 34 LYS H A 33 LEU HD1% 1.0 1.8 5.21 998 648 A 33 LEU HD1% A 34 LYS HBy 1.0 1.8 5.37 999 649 A 33 LEU HD1% A 34 LYS HEy 1.0 1.8 6.00 1000 649 A 33 LEU HD1% A 34 LYS HEx 1.0 1.8 6.00 1001 650 A 33 LEU HD1% A 45 TYR HD% 1.0 1.8 5.16 1002 651 A 33 LEU HD1% A 45 TYR HE% 1.0 1.8 5.18 1003 652 A 34 LYS H A 33 LEU HD2% 1.0 1.8 5.21 1004 653 A 34 LYS HBy A 33 LEU HD2% 1.0 1.8 5.57 1005 654 A 34 LYS HEy A 33 LEU HD2% 1.0 1.8 5.59 1006 654 A 33 LEU HD2% A 34 LYS HEx 1.0 1.8 5.59 1007 655 A 45 TYR HD% A 33 LEU HD2% 1.0 1.8 4.66 1008 656 A 45 TYR HE% A 33 LEU HD2% 1.0 1.8 4.58 1009 657 A 34 LYS HA A 34 LYS HDy 1.0 1.8 4.54 1010 657 A 34 LYS HA A 34 LYS HDx 1.0 1.8 4.54 1011 658 A 34 LYS HA A 34 LYS HDy 1.0 1.8 5.21 1012 659 A 34 LYS HA A 34 LYS HDx 1.0 1.8 5.21 1013 660 A 35 THR H A 34 LYS HA 1.0 1.8 3.35 1014 661 A 35 THR HG2% A 34 LYS HA 1.0 1.8 4.48 1015 662 A 34 LYS H A 34 LYS HBy 1.0 1.8 4.28 1016 663 A 34 LYS H A 34 LYS HBx 1.0 1.8 4.36 1017 664 A 34 LYS H A 34 LYS HEx 1.0 1.8 6.00 1018 664 A 34 LYS H A 34 LYS HEy 1.0 1.8 6.00 1019 665 A 34 LYS H A 35 THR H 1.0 1.8 4.88 1020 666 A 35 THR HG2% A 34 LYS H 1.0 1.8 5.24 1021 667 A 34 LYS H A 45 TYR H 1.0 1.8 4.18 1022 668 A 34 LYS H A 45 TYR HBy 1.0 1.8 3.80 1023 668 A 34 LYS H A 45 TYR HBx 1.0 1.8 3.80 1024 669 A 34 LYS H A 45 TYR HBy 1.0 1.8 4.43 1025 670 A 34 LYS H A 45 TYR HBx 1.0 1.8 4.43 1026 671 A 34 LYS H A 45 TYR HD% 1.0 1.8 5.20 1027 672 A 34 LYS H A 46 ILE HD1% 1.0 1.8 5.56 1028 673 A 35 THR H A 34 LYS HBy 1.0 1.8 4.88 1029 674 A 34 LYS HBy A 45 TYR HBy 1.0 1.8 5.04 1030 674 A 34 LYS HBy A 45 TYR HBx 1.0 1.8 5.04 1031 675 A 34 LYS HBx A 34 LYS HEx 1.0 1.8 4.55 1032 675 A 34 LYS HBx A 34 LYS HEy 1.0 1.8 4.55 1033 676 A 34 LYS HBx A 45 TYR H 1.0 1.8 5.90 1034 677 A 34 LYS HBx A 45 TYR HBy 1.0 1.8 5.24 1035 677 A 34 LYS HBx A 45 TYR HBx 1.0 1.8 5.24 1036 678 A 35 THR H A 34 LYS HDy 1.0 1.8 4.69 1037 678 A 35 THR H A 34 LYS HDx 1.0 1.8 4.69 1038 679 A 45 TYR HD% A 34 LYS HDy 1.0 1.8 5.29 1039 679 A 45 TYR HD% A 34 LYS HDx 1.0 1.8 5.29 1040 680 A 58 TRP HZ2 A 34 LYS HDy 1.0 1.8 5.31 1041 680 A 34 LYS HDx A 58 TRP HZ2 1.0 1.8 5.31 1042 681 A 45 TYR HD% A 34 LYS HDy 1.0 1.8 6.00 1043 682 A 58 TRP HZ2 A 34 LYS HDy 1.0 1.8 6.00 1044 683 A 45 TYR HD% A 34 LYS HDx 1.0 1.8 6.00 1045 684 A 34 LYS HDx A 58 TRP HZ2 1.0 1.8 6.00 1046 685 A 35 THR H A 34 LYS HEx 1.0 1.8 6.00 1047 685 A 35 THR H A 34 LYS HEy 1.0 1.8 6.00 1048 686 A 45 TYR HD% A 34 LYS HEx 1.0 1.8 4.88 1049 686 A 45 TYR HD% A 34 LYS HEy 1.0 1.8 4.88 1050 687 A 45 TYR HE% A 34 LYS HEx 1.0 1.8 5.14 1051 687 A 34 LYS HEy A 45 TYR HE% 1.0 1.8 5.14 1052 688 A 58 TRP HZ2 A 34 LYS HEx 1.0 1.8 4.76 1053 688 A 34 LYS HEy A 58 TRP HZ2 1.0 1.8 4.76 1054 689 A 35 THR HA A 34 LYS HGx 1.0 1.8 5.27 1055 689 A 34 LYS HGy A 35 THR HA 1.0 1.8 5.27 1056 690 A 35 THR H A 34 LYS HGx 1.0 1.8 3.96 1057 690 A 35 THR H A 34 LYS HGy 1.0 1.8 3.96 1058 691 A 58 TRP HZ2 A 34 LYS HGx 1.0 1.8 5.63 1059 691 A 58 TRP HZ2 A 34 LYS HGy 1.0 1.8 5.63 1060 692 A 35 THR HG2% A 35 THR HA 1.0 1.8 3.88 1061 693 A 35 THR HA A 36 LYS H 1.0 1.8 3.73 1062 694 A 42 VAL HG1% A 35 THR HA 1.0 1.8 5.42 1063 695 A 44 TYR HD% A 35 THR HA 1.0 1.8 4.46 1064 696 A 35 THR HB A 36 LYS H 1.0 1.8 4.55 1065 697 A 42 VAL HG1% A 35 THR HB 1.0 1.8 5.94 1066 698 A 35 THR HB A 35 THR H 1.0 1.8 3.96 1067 699 A 35 THR HG2% A 35 THR H 1.0 1.8 4.10 1068 700 A 35 THR H A 36 LYS H 1.0 1.8 4.94 1069 701 A 37 PRO HDy A 35 THR H 1.0 1.8 5.70 1070 702 A 35 THR HG2% A 36 LYS H 1.0 1.8 3.93 1071 703 A 37 PRO HDy A 35 THR HG2% 1.0 1.8 5.67 1072 704 A 35 THR HG2% A 44 TYR HA 1.0 1.8 6.02 1073 705 A 35 THR HG2% A 44 TYR HD% 1.0 1.8 4.57 1074 706 A 44 TYR HE% A 35 THR HG2% 1.0 1.8 4.82 1075 707 A 35 THR HG2% A 45 TYR H 1.0 1.8 5.92 1076 708 A 36 LYS HA A 36 LYS HDx 1.0 1.8 4.64 1077 708 A 36 LYS HA A 36 LYS HDy 1.0 1.8 4.64 1078 709 A 36 LYS HA A 36 LYS HGx 1.0 1.8 4.53 1079 710 A 37 PRO HDx A 36 LYS HA 1.0 1.8 4.03 1080 711 A 37 PRO HDy A 36 LYS HA 1.0 1.8 4.21 1081 712 A 36 LYS HA A 37 PRO HGx 1.0 1.8 4.83 1082 712 A 37 PRO HGy A 36 LYS HA 1.0 1.8 4.83 1083 713 A 38 ASP H A 36 LYS HA 1.0 1.8 4.63 1084 714 A 36 LYS HA A 38 ASP HBx 1.0 1.8 5.14 1085 714 A 36 LYS HA A 38 ASP HBy 1.0 1.8 5.14 1086 715 A 36 LYS HA A 42 VAL HG2% 1.0 1.8 4.71 1087 716 A 36 LYS H A 36 LYS HBy 1.0 1.8 4.29 1088 717 A 36 LYS H A 36 LYS HBx 1.0 1.8 4.24 1089 718 A 36 LYS H A 36 LYS HDx 1.0 1.8 5.36 1090 718 A 36 LYS H A 36 LYS HDy 1.0 1.8 5.36 1091 719 A 36 LYS H A 36 LYS HGx 1.0 1.8 5.72 1092 720 A 37 PRO HA A 36 LYS H 1.0 1.8 5.57 1093 721 A 37 PRO HDx A 36 LYS H 1.0 1.8 5.03 1094 722 A 37 PRO HDy A 36 LYS H 1.0 1.8 5.18 1095 723 A 38 ASP H A 36 LYS H 1.0 1.8 5.46 1096 724 A 42 VAL HG1% A 36 LYS H 1.0 1.8 4.64 1097 725 A 36 LYS H A 43 GLU H 1.0 1.8 6.00 1098 726 A 44 TYR HA A 36 LYS H 1.0 1.8 4.55 1099 727 A 44 TYR HD% A 36 LYS H 1.0 1.8 5.10 1100 728 A 44 TYR HE% A 36 LYS H 1.0 1.8 5.53 1101 729 A 36 LYS HBy A 36 LYS HEx 1.0 1.8 5.12 1102 729 A 36 LYS HBy A 36 LYS HEy 1.0 1.8 5.12 1103 730 A 37 PRO HDy A 36 LYS HBy 1.0 1.8 5.73 1104 731 A 36 LYS HBy A 43 GLU HGx 1.0 1.8 5.23 1105 732 A 36 LYS HBx A 36 LYS HDx 1.0 1.8 3.84 1106 732 A 36 LYS HDy A 36 LYS HBx 1.0 1.8 3.84 1107 733 A 37 PRO HDy A 36 LYS HBx 1.0 1.8 5.73 1108 734 A 38 ASP H A 36 LYS HBx 1.0 1.8 5.26 1109 735 A 42 VAL HG1% A 36 LYS HBx 1.0 1.8 4.98 1110 736 A 36 LYS HBx A 43 GLU H 1.0 1.8 6.00 1111 737 A 36 LYS HBx A 43 GLU HGy 1.0 1.8 4.90 1112 738 A 38 ASP H A 36 LYS HDx 1.0 1.8 5.90 1113 738 A 38 ASP H A 36 LYS HDy 1.0 1.8 5.90 1114 739 A 36 LYS HDx A 38 ASP HBx 1.0 1.8 5.27 1115 739 A 36 LYS HDy A 38 ASP HBx 1.0 1.8 5.27 1116 739 A 38 ASP HBy A 36 LYS HDx 1.0 1.8 5.27 1117 739 A 36 LYS HDy A 38 ASP HBy 1.0 1.8 5.27 1118 740 A 43 GLU HGy A 36 LYS HDx 1.0 1.8 5.12 1119 740 A 36 LYS HDy A 43 GLU HGy 1.0 1.8 5.12 1120 741 A 43 GLU HGx A 36 LYS HDx 1.0 1.8 4.69 1121 741 A 36 LYS HDy A 43 GLU HGx 1.0 1.8 4.69 1122 742 A 39 ALA H A 36 LYS HEx 1.0 1.8 5.15 1123 742 A 36 LYS HEy A 39 ALA H 1.0 1.8 5.15 1124 743 A 42 VAL HG2% A 36 LYS HEx 1.0 1.8 4.28 1125 743 A 42 VAL HG2% A 36 LYS HEy 1.0 1.8 4.28 1126 744 A 36 LYS HEy A 36 LYS HGy 1.0 1.8 4.58 1127 745 A 36 LYS HGy A 36 LYS HEx 1.0 1.8 4.58 1128 746 A 36 LYS HGy A 37 PRO HGx 1.0 1.8 5.67 1129 746 A 37 PRO HGy A 36 LYS HGy 1.0 1.8 5.67 1130 747 A 39 ALA H A 36 LYS HGy 1.0 1.8 5.87 1131 748 A 43 GLU HGy A 36 LYS HGy 1.0 1.8 6.00 1132 749 A 36 LYS HGx A 37 PRO HGx 1.0 1.8 6.00 1133 749 A 37 PRO HGy A 36 LYS HGx 1.0 1.8 6.00 1134 750 A 38 ASP H A 36 LYS HGx 1.0 1.8 5.46 1135 751 A 37 PRO HA A 39 ALA H 1.0 1.8 4.28 1136 752 A 42 VAL HG1% A 37 PRO HA 1.0 1.8 4.07 1137 753 A 37 PRO HA A 42 VAL HG2% 1.0 1.8 4.19 1138 754 A 38 ASP H A 37 PRO HBx 1.0 1.8 4.63 1139 754 A 37 PRO HBy A 38 ASP H 1.0 1.8 4.63 1140 755 A 39 ALA H A 37 PRO HBx 1.0 1.8 5.02 1141 755 A 37 PRO HBy A 39 ALA H 1.0 1.8 5.02 1142 756 A 42 VAL HG1% A 37 PRO HBx 1.0 1.8 4.82 1143 756 A 42 VAL HG1% A 37 PRO HBy 1.0 1.8 4.82 1144 757 A 37 PRO HDx A 38 ASP H 1.0 1.8 5.08 1145 758 A 37 PRO HDx A 38 ASP HBx 1.0 1.8 5.65 1146 758 A 37 PRO HDx A 38 ASP HBy 1.0 1.8 5.65 1147 759 A 37 PRO HDx A 42 VAL HG2% 1.0 1.8 5.82 1148 760 A 37 PRO HDy A 38 ASP H 1.0 1.8 4.46 1149 761 A 38 ASP HA A 37 PRO HGx 1.0 1.8 5.33 1150 761 A 37 PRO HGy A 38 ASP HA 1.0 1.8 5.33 1151 762 A 38 ASP H A 37 PRO HGx 1.0 1.8 4.82 1152 762 A 37 PRO HGy A 38 ASP H 1.0 1.8 4.82 1153 763 A 37 PRO HGy A 38 ASP HBx 1.0 1.8 5.28 1154 763 A 37 PRO HGx A 38 ASP HBx 1.0 1.8 5.28 1155 763 A 38 ASP HBy A 37 PRO HGx 1.0 1.8 5.28 1156 763 A 37 PRO HGy A 38 ASP HBy 1.0 1.8 5.28 1157 764 A 39 ALA H A 38 ASP HA 1.0 1.8 3.74 1158 765 A 38 ASP HA A 39 ALA HB% 1.0 1.8 5.20 1159 766 A 42 VAL HG2% A 38 ASP HA 1.0 1.8 5.63 1160 767 A 38 ASP H A 38 ASP HBx 1.0 1.8 3.38 1161 767 A 38 ASP H A 38 ASP HBy 1.0 1.8 3.38 1162 768 A 38 ASP H A 39 ALA HA 1.0 1.8 5.45 1163 769 A 38 ASP H A 39 ALA H 1.0 1.8 3.27 1164 770 A 38 ASP H A 39 ALA HB% 1.0 1.8 5.09 1165 771 A 38 ASP H A 42 VAL HB 1.0 1.8 5.51 1166 772 A 42 VAL HG1% A 38 ASP H 1.0 1.8 5.18 1167 773 A 38 ASP H A 42 VAL HG2% 1.0 1.8 5.06 1168 774 A 39 ALA HA A 38 ASP HBx 1.0 1.8 5.26 1169 774 A 38 ASP HBy A 39 ALA HA 1.0 1.8 5.26 1170 775 A 39 ALA H A 38 ASP HBx 1.0 1.8 4.22 1171 775 A 38 ASP HBy A 39 ALA H 1.0 1.8 4.22 1172 776 A 42 VAL HG1% A 38 ASP HBx 1.0 1.8 5.56 1173 776 A 42 VAL HG1% A 38 ASP HBy 1.0 1.8 5.56 1174 777 A 42 VAL HG2% A 38 ASP HBx 1.0 1.8 4.50 1175 777 A 38 ASP HBy A 42 VAL HG2% 1.0 1.8 4.50 1176 778 A 39 ALA HA A 40 THR H 1.0 1.8 3.55 1177 779 A 42 VAL HG2% A 39 ALA HA 1.0 1.8 5.27 1178 780 A 39 ALA H A 39 ALA HB% 1.0 1.8 3.03 1179 781 A 39 ALA H A 40 THR H 1.0 1.8 4.53 1180 782 A 39 ALA H A 40 THR HG2% 1.0 1.8 4.43 1181 783 A 39 ALA H A 42 VAL HB 1.0 1.8 5.31 1182 784 A 42 VAL HG1% A 39 ALA H 1.0 1.8 4.09 1183 785 A 42 VAL HG2% A 39 ALA H 1.0 1.8 5.15 1184 786 A 39 ALA HB% A 40 THR H 1.0 1.8 3.40 1185 787 A 39 ALA HB% A 42 VAL HA 1.0 1.8 4.11 1186 788 A 39 ALA HB% A 42 VAL HB 1.0 1.8 4.27 1187 789 A 42 VAL H A 39 ALA HB% 1.0 1.8 5.39 1188 790 A 43 GLU H A 39 ALA HB% 1.0 1.8 5.07 1189 791 A 40 THR HG2% A 40 THR HA 1.0 1.8 3.67 1190 792 A 40 THR HA A 41 PRO HDy 1.0 1.8 5.62 1191 793 A 42 VAL H A 40 THR HA 1.0 1.8 4.27 1192 794 A 40 THR H A 40 THR HB 1.0 1.8 4.49 1193 795 A 40 THR H A 40 THR HG2% 1.0 1.8 4.07 1194 796 A 42 VAL HB A 40 THR HG2% 1.0 1.8 4.97 1195 797 A 42 VAL HB A 41 PRO HA 1.0 1.8 4.61 1196 798 A 42 VAL H A 41 PRO HA 1.0 1.8 3.69 1197 799 A 42 VAL H A 41 PRO HDy 1.0 1.8 5.85 1198 800 A 42 VAL HG1% A 42 VAL HA 1.0 1.8 4.10 1199 801 A 42 VAL HG2% A 42 VAL HA 1.0 1.8 3.74 1200 802 A 42 VAL HA A 43 GLU HA 1.0 1.8 5.40 1201 803 A 43 GLU H A 42 VAL HA 1.0 1.8 3.65 1202 804 A 43 GLU H A 42 VAL HB 1.0 1.8 5.09 1203 805 A 44 TYR HE% A 42 VAL HB 1.0 1.8 5.58 1204 806 A 42 VAL H A 42 VAL HB 1.0 1.8 3.89 1205 807 A 42 VAL HG1% A 42 VAL H 1.0 1.8 4.38 1206 808 A 42 VAL H A 42 VAL HG2% 1.0 1.8 4.42 1207 809 A 42 VAL H A 43 GLU HA 1.0 1.8 5.70 1208 810 A 42 VAL H A 43 GLU H 1.0 1.8 5.09 1209 811 A 42 VAL H A 44 TYR HD% 1.0 1.8 5.79 1210 812 A 44 TYR HE% A 42 VAL H 1.0 1.8 4.71 1211 813 A 42 VAL H A 61 GLU H 1.0 1.8 4.81 1212 814 A 42 VAL HG1% A 43 GLU HA 1.0 1.8 5.15 1213 815 A 42 VAL HG1% A 43 GLU H 1.0 1.8 3.84 1214 816 A 42 VAL HG1% A 43 GLU HGy 1.0 1.8 4.83 1215 817 A 42 VAL HG1% A 44 TYR H 1.0 1.8 5.68 1216 818 A 42 VAL HG1% A 44 TYR HE% 1.0 1.8 4.28 1217 819 A 42 VAL HG1% A 61 GLU H 1.0 1.8 5.96 1218 820 A 42 VAL HG2% A 43 GLU HA 1.0 1.8 5.78 1219 821 A 42 VAL HG2% A 43 GLU H 1.0 1.8 5.61 1220 822 A 42 VAL HG2% A 43 GLU HBx 1.0 1.8 4.64 1221 823 A 44 TYR HE% A 42 VAL HG2% 1.0 1.8 5.25 1222 824 A 43 GLU HA A 44 TYR H 1.0 1.8 3.77 1223 825 A 44 TYR HBy A 43 GLU HA 1.0 1.8 5.68 1224 826 A 44 TYR HD% A 43 GLU HA 1.0 1.8 4.69 1225 827 A 43 GLU HA A 59 VAL H 1.0 1.8 5.19 1226 828 A 43 GLU HA A 60 PRO HA 1.0 1.8 4.65 1227 829 A 43 GLU HA A 61 GLU H 1.0 1.8 4.92 1228 830 A 43 GLU H A 43 GLU HGy 1.0 1.8 4.77 1229 831 A 43 GLU H A 43 GLU HGx 1.0 1.8 5.31 1230 832 A 44 TYR HA A 43 GLU H 1.0 1.8 6.00 1231 833 A 43 GLU H A 44 TYR H 1.0 1.8 5.41 1232 834 A 44 TYR HD% A 43 GLU H 1.0 1.8 5.13 1233 835 A 44 TYR HE% A 43 GLU H 1.0 1.8 5.49 1234 836 A 43 GLU H A 60 PRO HA 1.0 1.8 5.51 1235 837 A 44 TYR H A 43 GLU HBy 1.0 1.8 4.77 1236 838 A 43 GLU HBy A 58 TRP HA 1.0 1.8 6.00 1237 839 A 44 TYR H A 43 GLU HBx 1.0 1.8 4.51 1238 840 A 44 TYR HD% A 43 GLU HBx 1.0 1.8 6.00 1239 841 A 43 GLU HGy A 44 TYR H 1.0 1.8 5.56 1240 842 A 43 GLU HGx A 44 TYR H 1.0 1.8 4.90 1241 843 A 44 TYR HD% A 44 TYR HA 1.0 1.8 4.38 1242 844 A 44 TYR HE% A 44 TYR HA 1.0 1.8 5.37 1243 845 A 44 TYR HA A 45 TYR HBy 1.0 1.8 5.48 1244 845 A 44 TYR HA A 45 TYR HBx 1.0 1.8 5.48 1245 846 A 46 ILE HD1% A 44 TYR HA 1.0 1.8 5.59 1246 847 A 44 TYR HBy A 44 TYR H 1.0 1.8 4.47 1247 848 A 44 TYR HD% A 44 TYR H 1.0 1.8 4.83 1248 849 A 44 TYR HE% A 44 TYR H 1.0 1.8 5.39 1249 850 A 45 TYR H A 44 TYR H 1.0 1.8 5.50 1250 851 A 46 ILE HD1% A 44 TYR H 1.0 1.8 5.88 1251 852 A 44 TYR H A 46 ILE HG1x 1.0 1.8 5.45 1252 852 A 46 ILE HG1y A 44 TYR H 1.0 1.8 5.45 1253 853 A 44 TYR H A 58 TRP HA 1.0 1.8 4.95 1254 854 A 44 TYR H A 58 TRP HBx 1.0 1.8 5.92 1255 854 A 44 TYR H A 58 TRP HBy 1.0 1.8 5.92 1256 855 A 44 TYR H A 59 VAL HA 1.0 1.8 5.23 1257 856 A 44 TYR H A 59 VAL H 1.0 1.8 4.39 1258 857 A 44 TYR H A 59 VAL HG2% 1.0 1.8 4.70 1259 858 A 44 TYR H A 60 PRO HA 1.0 1.8 4.81 1260 859 A 61 GLU H A 44 TYR H 1.0 1.8 6.00 1261 860 A 44 TYR H A 64 VAL HG2% 1.0 1.8 5.91 1262 860 A 64 VAL HG1% A 44 TYR H 1.0 1.8 5.91 1263 861 A 46 ILE HD1% A 44 TYR HBy 1.0 1.8 4.31 1264 862 A 44 TYR HBy A 59 VAL HG2% 1.0 1.8 5.49 1265 863 A 44 TYR HBy A 64 VAL HG2% 1.0 1.8 3.98 1266 863 A 64 VAL HG1% A 44 TYR HBy 1.0 1.8 3.98 1267 864 A 64 VAL HG1% A 44 TYR HBy 1.0 1.8 4.77 1268 865 A 44 TYR HBy A 64 VAL HG2% 1.0 1.8 4.77 1269 866 A 44 TYR HBx A 45 TYR H 1.0 1.8 4.88 1270 867 A 46 ILE HD1% A 44 TYR HBx 1.0 1.8 4.57 1271 868 A 44 TYR HBx A 64 VAL HG2% 1.0 1.8 4.65 1272 868 A 64 VAL HG1% A 44 TYR HBx 1.0 1.8 4.65 1273 869 A 64 VAL HG1% A 44 TYR HBx 1.0 1.8 5.78 1274 870 A 44 TYR HBx A 64 VAL HG2% 1.0 1.8 5.78 1275 871 A 44 TYR HD% A 46 ILE HD1% 1.0 1.8 5.05 1276 872 A 44 TYR HD% A 59 VAL HG2% 1.0 1.8 5.33 1277 873 A 44 TYR HD% A 60 PRO HBx 1.0 1.8 6.00 1278 873 A 44 TYR HD% A 60 PRO HBy 1.0 1.8 6.00 1279 874 A 44 TYR HD% A 61 GLU HA 1.0 1.8 4.31 1280 875 A 44 TYR HD% A 61 GLU H 1.0 1.8 5.47 1281 876 A 44 TYR HD% A 64 VAL HG2% 1.0 1.8 4.11 1282 876 A 44 TYR HD% A 64 VAL HG1% 1.0 1.8 4.11 1283 877 A 44 TYR HD% A 64 VAL HG1% 1.0 1.8 5.62 1284 878 A 44 TYR HD% A 64 VAL HG2% 1.0 1.8 5.62 1285 879 A 44 TYR HE% A 61 GLU HA 1.0 1.8 4.11 1286 880 A 44 TYR HE% A 61 GLU H 1.0 1.8 5.32 1287 881 A 45 TYR HD% A 45 TYR HA 1.0 1.8 4.08 1288 882 A 45 TYR HE% A 45 TYR HA 1.0 1.8 5.00 1289 883 A 58 TRP HA A 45 TYR HA 1.0 1.8 5.04 1290 884 A 45 TYR HA A 58 TRP H 1.0 1.8 5.87 1291 885 A 59 VAL H A 45 TYR HA 1.0 1.8 5.05 1292 886 A 45 TYR H A 45 TYR HBy 1.0 1.8 4.42 1293 887 A 45 TYR H A 45 TYR HBx 1.0 1.8 4.42 1294 888 A 45 TYR H A 45 TYR HD% 1.0 1.8 5.63 1295 889 A 45 TYR H A 46 ILE H 1.0 1.8 5.27 1296 890 A 45 TYR H A 46 ILE HG1x 1.0 1.8 6.00 1297 890 A 45 TYR H A 46 ILE HG1y 1.0 1.8 6.00 1298 891 A 45 TYR H A 59 VAL HG2% 1.0 1.8 5.90 1299 892 A 46 ILE HD1% A 45 TYR HBy 1.0 1.8 5.53 1300 892 A 46 ILE HD1% A 45 TYR HBx 1.0 1.8 5.53 1301 893 A 58 TRP HZ2 A 45 TYR HBy 1.0 1.8 5.67 1302 893 A 45 TYR HBx A 58 TRP HZ2 1.0 1.8 5.67 1303 894 A 45 TYR HD% A 46 ILE H 1.0 1.8 4.90 1304 895 A 45 TYR HD% A 58 TRP HA 1.0 1.8 5.42 1305 896 A 45 TYR HD% A 58 TRP H 1.0 1.8 6.00 1306 897 A 45 TYR HD% A 58 TRP HD1 1.0 1.8 4.93 1307 898 A 45 TYR HD% A 58 TRP HE1 1.0 1.8 5.10 1308 899 A 45 TYR HE% A 56 ASP HBy 1.0 1.8 4.11 1309 899 A 45 TYR HE% A 56 ASP HBx 1.0 1.8 4.11 1310 900 A 45 TYR HE% A 56 ASP HBy 1.0 1.8 4.94 1311 901 A 45 TYR HE% A 56 ASP HBx 1.0 1.8 4.94 1312 902 A 45 TYR HE% A 57 GLU H 1.0 1.8 5.29 1313 903 A 46 ILE HD1% A 46 ILE HA 1.0 1.8 4.11 1314 904 A 46 ILE HG2% A 46 ILE HA 1.0 1.8 4.40 1315 905 A 47 HIS H A 46 ILE HA 1.0 1.8 3.84 1316 906 A 46 ILE HA A 59 VAL HG2% 1.0 1.8 5.91 1317 907 A 46 ILE HD1% A 46 ILE HB 1.0 1.8 4.36 1318 908 A 46 ILE HB A 47 HIS HA 1.0 1.8 6.00 1319 909 A 47 HIS H A 46 ILE HB 1.0 1.8 5.19 1320 910 A 57 GLU H A 46 ILE HB 1.0 1.8 5.77 1321 911 A 46 ILE HB A 59 VAL HG1% 1.0 1.8 4.49 1322 912 A 59 VAL HG2% A 46 ILE HB 1.0 1.8 4.42 1323 913 A 46 ILE H A 46 ILE HB 1.0 1.8 4.18 1324 914 A 46 ILE HD1% A 46 ILE H 1.0 1.8 5.02 1325 915 A 46 ILE H A 46 ILE HG1x 1.0 1.8 4.64 1326 915 A 46 ILE HG1y A 46 ILE H 1.0 1.8 4.64 1327 916 A 46 ILE H A 46 ILE HG1x 1.0 1.8 4.93 1328 916 A 46 ILE HG1y A 46 ILE H 1.0 1.8 4.93 1329 917 A 46 ILE HG2% A 46 ILE H 1.0 1.8 4.82 1330 918 A 46 ILE H A 47 HIS HA 1.0 1.8 6.00 1331 919 A 47 HIS H A 46 ILE H 1.0 1.8 5.80 1332 920 A 46 ILE H A 56 ASP HA 1.0 1.8 6.00 1333 921 A 46 ILE H A 57 GLU H 1.0 1.8 5.01 1334 922 A 46 ILE H A 57 GLU HGy 1.0 1.8 5.78 1335 922 A 46 ILE H A 57 GLU HGx 1.0 1.8 5.78 1336 923 A 58 TRP HA A 46 ILE H 1.0 1.8 4.84 1337 924 A 59 VAL H A 46 ILE H 1.0 1.8 5.28 1338 925 A 59 VAL HG2% A 46 ILE H 1.0 1.8 5.06 1339 926 A 46 ILE HD1% A 47 HIS H 1.0 1.8 4.69 1340 927 A 46 ILE HD1% A 59 VAL H 1.0 1.8 6.00 1341 928 A 46 ILE HD1% A 59 VAL HG1% 1.0 1.8 5.61 1342 929 A 46 ILE HD1% A 59 VAL HG2% 1.0 1.8 4.70 1343 930 A 64 VAL HA A 46 ILE HD1% 1.0 1.8 5.91 1344 931 A 64 VAL HB A 46 ILE HD1% 1.0 1.8 4.79 1345 932 A 46 ILE HD1% A 64 VAL H 1.0 1.8 6.00 1346 933 A 46 ILE HD1% A 64 VAL HG2% 1.0 1.8 3.98 1347 933 A 64 VAL HG1% A 46 ILE HD1% 1.0 1.8 3.98 1348 934 A 64 VAL HG1% A 46 ILE HD1% 1.0 1.8 4.87 1349 935 A 46 ILE HD1% A 64 VAL HG2% 1.0 1.8 4.87 1350 936 A 47 HIS H A 46 ILE HG1x 1.0 1.8 6.00 1351 936 A 47 HIS H A 46 ILE HG1y 1.0 1.8 6.00 1352 937 A 59 VAL HB A 46 ILE HG1x 1.0 1.8 5.20 1353 937 A 46 ILE HG1y A 59 VAL HB 1.0 1.8 5.20 1354 938 A 59 VAL H A 46 ILE HG1x 1.0 1.8 5.83 1355 938 A 46 ILE HG1y A 59 VAL H 1.0 1.8 5.83 1356 939 A 46 ILE HG1x A 64 VAL HG2% 1.0 1.8 4.69 1357 939 A 64 VAL HG1% A 46 ILE HG1x 1.0 1.8 4.69 1358 939 A 64 VAL HG1% A 46 ILE HG1y 1.0 1.8 4.69 1359 939 A 46 ILE HG1y A 64 VAL HG2% 1.0 1.8 4.69 1360 940 A 46 ILE HD1% A 46 ILE HG2% 1.0 1.8 3.66 1361 941 A 46 ILE HG2% A 46 ILE HG1x 1.0 1.8 4.17 1362 941 A 46 ILE HG2% A 46 ILE HG1y 1.0 1.8 4.17 1363 942 A 46 ILE HG2% A 46 ILE HG1x 1.0 1.8 4.28 1364 942 A 46 ILE HG2% A 46 ILE HG1y 1.0 1.8 4.28 1365 943 A 46 ILE HG2% A 47 HIS HA 1.0 1.8 4.84 1366 944 A 47 HIS H A 46 ILE HG2% 1.0 1.8 4.30 1367 945 A 46 ILE HG2% A 48 TYR HA 1.0 1.8 5.48 1368 946 A 46 ILE HG2% A 48 TYR HD% 1.0 1.8 5.23 1369 947 A 46 ILE HG2% A 57 GLU H 1.0 1.8 6.00 1370 948 A 46 ILE HG2% A 57 GLU HGy 1.0 1.8 5.83 1371 948 A 46 ILE HG2% A 57 GLU HGx 1.0 1.8 5.83 1372 949 A 46 ILE HG2% A 59 VAL HG1% 1.0 1.8 4.95 1373 950 A 46 ILE HG2% A 59 VAL HG2% 1.0 1.8 4.77 1374 951 A 46 ILE HG2% A 64 VAL HG2% 1.0 1.8 5.72 1375 951 A 64 VAL HG1% A 46 ILE HG2% 1.0 1.8 5.72 1376 952 A 47 HIS H A 47 HIS HD2 1.0 1.8 5.31 1377 953 A 47 HIS H A 48 TYR HA 1.0 1.8 6.00 1378 954 A 47 HIS H A 48 TYR H 1.0 1.8 5.60 1379 955 A 48 TYR HD% A 48 TYR HA 1.0 1.8 4.73 1380 956 A 49 ALA H A 48 TYR HA 1.0 1.8 3.82 1381 957 A 49 ALA HB% A 48 TYR HA 1.0 1.8 4.57 1382 958 A 48 TYR HA A 51 TRP HD1 1.0 1.8 5.07 1383 959 A 48 TYR HD% A 48 TYR H 1.0 1.8 4.90 1384 960 A 49 ALA H A 48 TYR H 1.0 1.8 6.00 1385 961 A 48 TYR H A 51 TRP HBy 1.0 1.8 5.13 1386 961 A 48 TYR H A 51 TRP HBx 1.0 1.8 5.13 1387 962 A 48 TYR H A 51 TRP HBy 1.0 1.8 6.00 1388 963 A 48 TYR H A 51 TRP HBx 1.0 1.8 6.00 1389 964 A 48 TYR H A 51 TRP HD1 1.0 1.8 6.00 1390 965 A 48 TYR HD% A 49 ALA H 1.0 1.8 5.57 1391 966 A 48 TYR HE% A 57 GLU HGy 1.0 1.8 6.00 1392 967 A 48 TYR HE% A 57 GLU HGx 1.0 1.8 6.00 1393 968 A 49 ALA HA A 51 TRP H 1.0 1.8 4.81 1394 969 A 49 ALA HB% A 49 ALA H 1.0 1.8 3.60 1395 970 A 49 ALA H A 51 TRP HBy 1.0 1.8 5.76 1396 970 A 49 ALA H A 51 TRP HBx 1.0 1.8 5.76 1397 971 A 49 ALA HB% A 51 TRP H 1.0 1.8 5.43 1398 972 A 49 ALA HB% A 51 TRP HD1 1.0 1.8 5.24 1399 973 A 51 TRP HD1 A 50 GLY HAx 1.0 1.8 5.87 1400 973 A 51 TRP HD1 A 50 GLY HAy 1.0 1.8 5.87 1401 974 A 51 TRP HD1 A 51 TRP HA 1.0 1.8 4.71 1402 975 A 51 TRP H A 51 TRP HBy 1.0 1.8 3.97 1403 975 A 51 TRP HBx A 51 TRP H 1.0 1.8 3.97 1404 976 A 51 TRP HD1 A 51 TRP H 1.0 1.8 4.83 1405 977 A 51 TRP H A 51 TRP HE1 1.0 1.8 6.00 1406 978 A 53 LYS HA A 53 LYS HDx 1.0 1.8 4.73 1407 978 A 53 LYS HA A 53 LYS HDy 1.0 1.8 4.73 1408 979 A 53 LYS HA A 55 TRP H 1.0 1.8 5.04 1409 980 A 53 LYS HA A 56 ASP H 1.0 1.8 4.65 1410 981 A 53 LYS HBy A 53 LYS HDx 1.0 1.8 3.88 1411 981 A 53 LYS HBx A 53 LYS HDx 1.0 1.8 3.88 1412 981 A 53 LYS HDy A 53 LYS HBx 1.0 1.8 3.88 1413 981 A 53 LYS HDy A 53 LYS HBy 1.0 1.8 3.88 1414 982 A 53 LYS HBy A 53 LYS HEx 1.0 1.8 5.16 1415 982 A 53 LYS HBx A 53 LYS HEx 1.0 1.8 5.16 1416 982 A 53 LYS HEy A 53 LYS HBx 1.0 1.8 5.16 1417 982 A 53 LYS HBy A 53 LYS HEy 1.0 1.8 5.16 1418 983 A 54 ASN H A 53 LYS HBx 1.0 1.8 5.16 1419 983 A 53 LYS HBy A 54 ASN H 1.0 1.8 5.16 1420 984 A 56 ASP H A 53 LYS HBx 1.0 1.8 5.35 1421 984 A 56 ASP H A 53 LYS HBy 1.0 1.8 5.35 1422 985 A 53 LYS HEx A 53 LYS HGx 1.0 1.8 3.48 1423 985 A 53 LYS HEy A 53 LYS HGx 1.0 1.8 3.48 1424 985 A 53 LYS HGy A 53 LYS HEx 1.0 1.8 3.48 1425 985 A 53 LYS HEy A 53 LYS HGy 1.0 1.8 3.48 1426 986 A 54 ASN H A 53 LYS HGx 1.0 1.8 5.74 1427 986 A 54 ASN H A 53 LYS HGy 1.0 1.8 5.74 1428 987 A 56 ASP H A 53 LYS HGx 1.0 1.8 6.00 1429 987 A 56 ASP H A 53 LYS HGy 1.0 1.8 6.00 1430 988 A 56 ASP H A 54 ASN HA 1.0 1.8 5.38 1431 989 A 55 TRP H A 54 ASN H 1.0 1.8 4.83 1432 990 A 56 ASP H A 54 ASN H 1.0 1.8 5.29 1433 991 A 56 ASP H A 54 ASN HBy 1.0 1.8 6.00 1434 992 A 56 ASP H A 54 ASN HBx 1.0 1.8 6.00 1435 993 A 55 TRP HA A 55 TRP HD1 1.0 1.8 4.74 1436 994 A 55 TRP HA A 55 TRP HE1 1.0 1.8 5.31 1437 995 A 56 ASP HA A 55 TRP H 1.0 1.8 5.60 1438 996 A 55 TRP H A 56 ASP HBy 1.0 1.8 5.87 1439 996 A 56 ASP HBx A 55 TRP H 1.0 1.8 5.87 1440 997 A 56 ASP H A 55 TRP HBy 1.0 1.8 4.76 1441 997 A 56 ASP H A 55 TRP HBx 1.0 1.8 4.76 1442 998 A 56 ASP H A 55 TRP HBy 1.0 1.8 5.51 1443 999 A 56 ASP H A 55 TRP HBx 1.0 1.8 5.51 1444 1000 A 57 GLU H A 56 ASP HA 1.0 1.8 3.53 1445 1001 A 56 ASP H A 56 ASP HBy 1.0 1.8 3.87 1446 1001 A 56 ASP HBx A 56 ASP H 1.0 1.8 3.87 1447 1002 A 56 ASP H A 56 ASP HBy 1.0 1.8 4.62 1448 1003 A 56 ASP HBx A 56 ASP H 1.0 1.8 4.62 1449 1004 A 56 ASP H A 57 GLU HBx 1.0 1.8 5.60 1450 1004 A 56 ASP H A 57 GLU HBy 1.0 1.8 5.60 1451 1005 A 57 GLU H A 56 ASP HBy 1.0 1.8 4.02 1452 1005 A 56 ASP HBx A 57 GLU H 1.0 1.8 4.02 1453 1006 A 57 GLU HA A 57 GLU HGy 1.0 1.8 3.85 1454 1006 A 57 GLU HGx A 57 GLU HA 1.0 1.8 3.85 1455 1007 A 58 TRP HA A 57 GLU HA 1.0 1.8 5.50 1456 1008 A 58 TRP H A 57 GLU HA 1.0 1.8 3.65 1457 1009 A 57 GLU H A 57 GLU HBx 1.0 1.8 4.40 1458 1009 A 57 GLU H A 57 GLU HBy 1.0 1.8 4.40 1459 1010 A 57 GLU H A 57 GLU HGy 1.0 1.8 5.05 1460 1010 A 57 GLU H A 57 GLU HGx 1.0 1.8 5.05 1461 1011 A 58 TRP HA A 57 GLU H 1.0 1.8 5.85 1462 1012 A 58 TRP H A 57 GLU H 1.0 1.8 5.24 1463 1013 A 58 TRP H A 57 GLU HBx 1.0 1.8 4.02 1464 1013 A 58 TRP H A 57 GLU HBy 1.0 1.8 4.02 1465 1014 A 59 VAL HG1% A 57 GLU HBx 1.0 1.8 4.53 1466 1014 A 59 VAL HG1% A 57 GLU HBy 1.0 1.8 4.53 1467 1015 A 58 TRP HA A 57 GLU HGy 1.0 1.8 5.70 1468 1015 A 58 TRP HA A 57 GLU HGx 1.0 1.8 5.70 1469 1016 A 58 TRP H A 57 GLU HGy 1.0 1.8 4.43 1470 1016 A 58 TRP H A 57 GLU HGx 1.0 1.8 4.43 1471 1017 A 59 VAL HG1% A 57 GLU HGy 1.0 1.8 4.52 1472 1017 A 59 VAL HG1% A 57 GLU HGx 1.0 1.8 4.52 1473 1018 A 59 VAL HG2% A 57 GLU HGy 1.0 1.8 4.57 1474 1018 A 59 VAL HG2% A 57 GLU HGx 1.0 1.8 4.57 1475 1019 A 58 TRP HA A 58 TRP HD1 1.0 1.8 5.64 1476 1020 A 58 TRP HA A 59 VAL HG1% 1.0 1.8 5.14 1477 1021 A 58 TRP HA A 59 VAL HG2% 1.0 1.8 4.85 1478 1022 A 58 TRP H A 58 TRP HBx 1.0 1.8 3.81 1479 1022 A 58 TRP HBy A 58 TRP H 1.0 1.8 3.81 1480 1023 A 58 TRP H A 58 TRP HD1 1.0 1.8 5.35 1481 1024 A 59 VAL H A 58 TRP H 1.0 1.8 5.31 1482 1025 A 58 TRP H A 59 VAL HG1% 1.0 1.8 5.83 1483 1026 A 59 VAL HG2% A 58 TRP H 1.0 1.8 6.00 1484 1027 A 58 TRP HD1 A 58 TRP HBx 1.0 1.8 4.16 1485 1027 A 58 TRP HBy A 58 TRP HD1 1.0 1.8 4.16 1486 1028 A 59 VAL H A 58 TRP HBx 1.0 1.8 5.30 1487 1028 A 59 VAL H A 58 TRP HBy 1.0 1.8 5.30 1488 1029 A 59 VAL HG1% A 58 TRP HBx 1.0 1.8 5.21 1489 1029 A 58 TRP HBy A 59 VAL HG1% 1.0 1.8 5.21 1490 1030 A 59 VAL HG2% A 58 TRP HBx 1.0 1.8 5.32 1491 1030 A 58 TRP HBy A 59 VAL HG2% 1.0 1.8 5.32 1492 1031 A 59 VAL HA A 59 VAL HG1% 1.0 1.8 4.19 1493 1032 A 59 VAL HA A 59 VAL HG2% 1.0 1.8 4.49 1494 1033 A 59 VAL HA A 64 VAL HG2% 1.0 1.8 5.98 1495 1033 A 64 VAL HG1% A 59 VAL HA 1.0 1.8 5.98 1496 1034 A 59 VAL HB A 63 ARG H 1.0 1.8 5.38 1497 1035 A 59 VAL HB A 64 VAL HG2% 1.0 1.8 4.42 1498 1035 A 64 VAL HG1% A 59 VAL HB 1.0 1.8 4.42 1499 1036 A 59 VAL H A 59 VAL HG1% 1.0 1.8 5.26 1500 1037 A 59 VAL H A 59 VAL HG2% 1.0 1.8 4.38 1501 1038 A 59 VAL H A 64 VAL HG2% 1.0 1.8 5.98 1502 1038 A 64 VAL HG1% A 59 VAL H 1.0 1.8 5.98 1503 1039 A 59 VAL HG1% A 63 ARG H 1.0 1.8 6.00 1504 1040 A 59 VAL HG1% A 63 ARG HBx 1.0 1.8 4.40 1505 1040 A 59 VAL HG1% A 63 ARG HBy 1.0 1.8 4.40 1506 1041 A 59 VAL HG1% A 63 ARG HDx 1.0 1.8 5.63 1507 1041 A 59 VAL HG1% A 63 ARG HDy 1.0 1.8 5.63 1508 1042 A 59 VAL HG1% A 63 ARG HGx 1.0 1.8 4.27 1509 1042 A 63 ARG HGy A 59 VAL HG1% 1.0 1.8 4.27 1510 1043 A 59 VAL HG1% A 64 VAL HG2% 1.0 1.8 5.13 1511 1043 A 64 VAL HG1% A 59 VAL HG1% 1.0 1.8 5.13 1512 1044 A 63 ARG HA A 59 VAL HG2% 1.0 1.8 6.00 1513 1045 A 59 VAL HG2% A 64 VAL H 1.0 1.8 4.91 1514 1046 A 59 VAL HG2% A 64 VAL HG2% 1.0 1.8 3.62 1515 1046 A 64 VAL HG1% A 59 VAL HG2% 1.0 1.8 3.62 1516 1047 A 61 GLU H A 60 PRO HBx 1.0 1.8 4.14 1517 1047 A 61 GLU H A 60 PRO HBy 1.0 1.8 4.14 1518 1048 A 60 PRO HBy A 64 VAL HG2% 1.0 1.8 5.39 1519 1048 A 60 PRO HBx A 64 VAL HG2% 1.0 1.8 5.39 1520 1048 A 64 VAL HG1% A 60 PRO HBx 1.0 1.8 5.39 1521 1048 A 64 VAL HG1% A 60 PRO HBy 1.0 1.8 5.39 1522 1049 A 61 GLU H A 62 ASN H 1.0 1.8 5.46 1523 1050 A 61 GLU H A 62 ASN HBx 1.0 1.8 5.57 1524 1050 A 61 GLU H A 62 ASN HBy 1.0 1.8 5.57 1525 1051 A 61 GLU H A 64 VAL HG2% 1.0 1.8 5.98 1526 1051 A 64 VAL HG1% A 61 GLU H 1.0 1.8 5.98 1527 1052 A 64 VAL H A 62 ASN HA 1.0 1.8 4.83 1528 1053 A 62 ASN HA A 64 VAL HG2% 1.0 1.8 5.98 1529 1053 A 64 VAL HG1% A 62 ASN HA 1.0 1.8 5.98 1530 1054 A 63 ARG HA A 62 ASN HBx 1.0 1.8 5.87 1531 1054 A 63 ARG HA A 62 ASN HBy 1.0 1.8 5.87 1532 1055 A 63 ARG H A 62 ASN HBx 1.0 1.8 4.85 1533 1055 A 63 ARG H A 62 ASN HBy 1.0 1.8 4.85 1534 1056 A 64 VAL H A 62 ASN HBx 1.0 1.8 5.74 1535 1056 A 64 VAL H A 62 ASN HBy 1.0 1.8 5.74 1536 1057 A 63 ARG HA A 63 ARG HDx 1.0 1.8 5.38 1537 1057 A 63 ARG HA A 63 ARG HDy 1.0 1.8 5.38 1538 1058 A 63 ARG HA A 63 ARG HGx 1.0 1.8 4.37 1539 1058 A 63 ARG HA A 63 ARG HGy 1.0 1.8 4.37 1540 1059 A 63 ARG HA A 64 VAL HG2% 1.0 1.8 5.40 1541 1059 A 64 VAL HG1% A 63 ARG HA 1.0 1.8 5.40 1542 1060 A 63 ARG H A 63 ARG HBx 1.0 1.8 4.50 1543 1060 A 63 ARG H A 63 ARG HBy 1.0 1.8 4.50 1544 1061 A 63 ARG H A 63 ARG HDx 1.0 1.8 5.53 1545 1061 A 63 ARG H A 63 ARG HDy 1.0 1.8 5.53 1546 1062 A 63 ARG H A 63 ARG HGx 1.0 1.8 4.30 1547 1062 A 63 ARG HGy A 63 ARG H 1.0 1.8 4.30 1548 1063 A 64 VAL HA A 63 ARG H 1.0 1.8 6.00 1549 1064 A 64 VAL H A 63 ARG H 1.0 1.8 3.60 1550 1065 A 63 ARG H A 64 VAL HG2% 1.0 1.8 4.81 1551 1065 A 64 VAL HG1% A 63 ARG H 1.0 1.8 4.81 1552 1066 A 64 VAL H A 63 ARG HBx 1.0 1.8 4.69 1553 1066 A 64 VAL H A 63 ARG HBy 1.0 1.8 4.69 1554 1067 A 63 ARG HBy A 64 VAL HG2% 1.0 1.8 4.36 1555 1067 A 63 ARG HBx A 64 VAL HG2% 1.0 1.8 4.36 1556 1067 A 64 VAL HG1% A 63 ARG HBx 1.0 1.8 4.36 1557 1067 A 64 VAL HG1% A 63 ARG HBy 1.0 1.8 4.36 1558 1068 A 64 VAL H A 63 ARG HGx 1.0 1.8 4.69 1559 1068 A 63 ARG HGy A 64 VAL H 1.0 1.8 4.69 1560 1069 A 63 ARG HGx A 64 VAL HG2% 1.0 1.8 4.50 1561 1069 A 63 ARG HGy A 64 VAL HG2% 1.0 1.8 4.50 1562 1069 A 64 VAL HG1% A 63 ARG HGx 1.0 1.8 4.50 1563 1069 A 64 VAL HG1% A 63 ARG HGy 1.0 1.8 4.50 1564 1070 A 64 VAL HA A 64 VAL HG1% 1.0 1.8 4.26 1565 1071 A 64 VAL HA A 64 VAL HG2% 1.0 1.8 4.26 1566 1072 A 64 VAL HA A 65 LEU H 1.0 1.8 3.81 1567 1073 A 64 VAL HB A 64 VAL H 1.0 1.8 3.85 1568 1074 A 64 VAL H A 64 VAL HG2% 1.0 1.8 3.34 1569 1074 A 64 VAL HG1% A 64 VAL H 1.0 1.8 3.34 1570 1075 A 64 VAL HG1% A 64 VAL H 1.0 1.8 4.24 1571 1076 A 64 VAL H A 64 VAL HG2% 1.0 1.8 4.24 1572 1077 A 65 LEU H A 64 VAL H 1.0 1.8 5.10 1573 1078 A 65 LEU HA A 64 VAL HG2% 1.0 1.8 5.83 1574 1078 A 64 VAL HG1% A 65 LEU HA 1.0 1.8 5.83 1575 1079 A 65 LEU H A 64 VAL HG2% 1.0 1.8 3.83 1576 1079 A 64 VAL HG1% A 65 LEU H 1.0 1.8 3.83 1577 1080 A 64 VAL HG1% A 65 LEU H 1.0 1.8 5.12 1578 1081 A 65 LEU H A 64 VAL HG2% 1.0 1.8 5.12 1579 1082 A 65 LEU HA A 65 LEU HD2% 1.0 1.8 3.65 1580 1082 A 65 LEU HD1% A 65 LEU HA 1.0 1.8 3.65 1581 1083 A 65 LEU HD1% A 65 LEU HA 1.0 1.8 4.84 1582 1084 A 65 LEU HA A 65 LEU HD2% 1.0 1.8 4.84 1583 1085 A 65 LEU HA A 66 LYS H 1.0 1.8 3.87 1584 1086 A 67 TYR H A 65 LEU HG 1.0 1.8 5.57 1585 1087 A 65 LEU H A 65 LEU HG 1.0 1.8 4.90 1586 1088 A 65 LEU H A 65 LEU HBx 1.0 1.8 3.88 1587 1088 A 65 LEU H A 65 LEU HBy 1.0 1.8 3.88 1588 1089 A 65 LEU H A 65 LEU HBy 1.0 1.8 4.46 1589 1090 A 65 LEU H A 65 LEU HBx 1.0 1.8 4.46 1590 1091 A 65 LEU H A 65 LEU HD2% 1.0 1.8 4.39 1591 1091 A 65 LEU H A 65 LEU HD1% 1.0 1.8 4.39 1592 1092 A 65 LEU H A 65 LEU HD1% 1.0 1.8 5.65 1593 1093 A 65 LEU H A 65 LEU HD2% 1.0 1.8 5.65 1594 1094 A 65 LEU H A 66 LYS H 1.0 1.8 5.21 1595 1095 A 66 LYS H A 65 LEU HD2% 1.0 1.8 4.33 1596 1095 A 65 LEU HD1% A 66 LYS H 1.0 1.8 4.33 1597 1096 A 67 TYR H A 65 LEU HD2% 1.0 1.8 5.98 1598 1096 A 67 TYR H A 65 LEU HD1% 1.0 1.8 5.98 1599 1097 A 65 LEU HD2% A 71 ASN HBy 1.0 1.8 3.84 1600 1097 A 65 LEU HD1% A 71 ASN HBy 1.0 1.8 3.84 1601 1097 A 71 ASN HBx A 65 LEU HD2% 1.0 1.8 3.84 1602 1097 A 71 ASN HBx A 65 LEU HD1% 1.0 1.8 3.84 1603 1098 A 65 LEU HD2% A 74 ARG HBx 1.0 1.8 5.39 1604 1098 A 65 LEU HD1% A 74 ARG HBx 1.0 1.8 5.39 1605 1098 A 74 ARG HBy A 65 LEU HD2% 1.0 1.8 5.39 1606 1098 A 65 LEU HD1% A 74 ARG HBy 1.0 1.8 5.39 1607 1099 A 65 LEU HD1% A 66 LYS H 1.0 1.8 5.40 1608 1100 A 65 LEU HD1% A 71 ASN HBy 1.0 1.8 5.88 1609 1101 A 71 ASN HBx A 65 LEU HD1% 1.0 1.8 5.88 1610 1102 A 65 LEU HD1% A 74 ARG HDy 1.0 1.8 5.14 1611 1102 A 65 LEU HD1% A 74 ARG HDx 1.0 1.8 5.14 1612 1103 A 66 LYS H A 65 LEU HD2% 1.0 1.8 5.40 1613 1104 A 65 LEU HD2% A 71 ASN HBy 1.0 1.8 5.88 1614 1105 A 71 ASN HBx A 65 LEU HD2% 1.0 1.8 5.88 1615 1106 A 74 ARG HDy A 65 LEU HD2% 1.0 1.8 5.14 1616 1106 A 65 LEU HD2% A 74 ARG HDx 1.0 1.8 5.14 1617 1107 A 67 TYR H A 66 LYS H 1.0 1.8 5.36 1618 1108 A 66 LYS H A 71 ASN HBy 1.0 1.8 5.62 1619 1108 A 71 ASN HBx A 66 LYS H 1.0 1.8 5.62 1620 1109 A 67 TYR HD% A 67 TYR HA 1.0 1.8 4.42 1621 1110 A 67 TYR HE% A 67 TYR HA 1.0 1.8 5.06 1622 1111 A 67 TYR HA A 68 ASN H 1.0 1.8 3.41 1623 1112 A 67 TYR HA A 71 ASN H 1.0 1.8 6.00 1624 1113 A 67 TYR HA A 71 ASN HBy 1.0 1.8 4.88 1625 1113 A 67 TYR HA A 71 ASN HBx 1.0 1.8 4.88 1626 1114 A 67 TYR HA A 72 VAL H 1.0 1.8 5.27 1627 1115 A 67 TYR HBy A 67 TYR H 1.0 1.8 4.19 1628 1116 A 67 TYR H A 67 TYR HBx 1.0 1.8 4.22 1629 1117 A 67 TYR HD% A 67 TYR H 1.0 1.8 5.32 1630 1118 A 67 TYR H A 68 ASN H 1.0 1.8 5.09 1631 1119 A 67 TYR HBy A 68 ASN HA 1.0 1.8 6.00 1632 1120 A 67 TYR HBy A 68 ASN H 1.0 1.8 5.52 1633 1121 A 67 TYR HBx A 72 VAL HG2% 1.0 1.8 6.00 1634 1121 A 67 TYR HBx A 72 VAL HG1% 1.0 1.8 6.00 1635 1122 A 67 TYR HD% A 68 ASN HA 1.0 1.8 6.00 1636 1123 A 67 TYR HD% A 72 VAL H 1.0 1.8 5.90 1637 1124 A 67 TYR HE% A 72 VAL HA 1.0 1.8 5.22 1638 1125 A 68 ASN HA A 69 ASP HBx 1.0 1.8 4.98 1639 1125 A 68 ASN HA A 69 ASP HBy 1.0 1.8 4.98 1640 1126 A 72 VAL H A 68 ASN HA 1.0 1.8 5.93 1641 1127 A 68 ASN H A 71 ASN H 1.0 1.8 4.37 1642 1128 A 68 ASN H A 71 ASN HBy 1.0 1.8 4.15 1643 1128 A 68 ASN H A 71 ASN HBx 1.0 1.8 4.15 1644 1129 A 68 ASN H A 72 VAL HA 1.0 1.8 5.79 1645 1130 A 68 ASN H A 72 VAL HB 1.0 1.8 5.30 1646 1131 A 68 ASN H A 72 VAL H 1.0 1.8 4.71 1647 1132 A 68 ASN H A 72 VAL HG2% 1.0 1.8 4.61 1648 1132 A 68 ASN H A 72 VAL HG1% 1.0 1.8 4.61 1649 1133 A 68 ASN H A 72 VAL HG1% 1.0 1.8 6.00 1650 1134 A 68 ASN H A 72 VAL HG2% 1.0 1.8 6.00 1651 1135 A 69 ASP HA A 68 ASN HBy 1.0 1.8 5.17 1652 1135 A 68 ASN HBx A 69 ASP HA 1.0 1.8 5.17 1653 1136 A 69 ASP H A 68 ASN HBy 1.0 1.8 4.38 1654 1136 A 68 ASN HBx A 69 ASP H 1.0 1.8 4.38 1655 1137 A 68 ASN HBy A 69 ASP HBx 1.0 1.8 4.99 1656 1137 A 68 ASN HBx A 69 ASP HBx 1.0 1.8 4.99 1657 1137 A 69 ASP HBy A 68 ASN HBy 1.0 1.8 4.99 1658 1137 A 69 ASP HBy A 68 ASN HBx 1.0 1.8 4.99 1659 1138 A 70 ASP H A 68 ASN HBy 1.0 1.8 4.40 1660 1138 A 68 ASN HBx A 70 ASP H 1.0 1.8 4.40 1661 1139 A 71 ASN H A 68 ASN HBy 1.0 1.8 5.06 1662 1139 A 71 ASN H A 68 ASN HBx 1.0 1.8 5.06 1663 1140 A 69 ASP H A 68 ASN HBy 1.0 1.8 5.02 1664 1141 A 68 ASN HBx A 69 ASP H 1.0 1.8 5.02 1665 1142 A 71 ASN H A 69 ASP HA 1.0 1.8 5.12 1666 1143 A 72 VAL HB A 69 ASP HA 1.0 1.8 4.55 1667 1144 A 72 VAL H A 69 ASP HA 1.0 1.8 4.68 1668 1145 A 69 ASP HA A 72 VAL HG2% 1.0 1.8 4.14 1669 1145 A 72 VAL HG1% A 69 ASP HA 1.0 1.8 4.14 1670 1146 A 72 VAL HG1% A 69 ASP HA 1.0 1.8 5.21 1671 1147 A 69 ASP HA A 72 VAL HG2% 1.0 1.8 5.21 1672 1148 A 69 ASP HA A 73 LYS H 1.0 1.8 5.67 1673 1149 A 69 ASP H A 69 ASP HBx 1.0 1.8 4.51 1674 1149 A 69 ASP HBy A 69 ASP H 1.0 1.8 4.51 1675 1150 A 69 ASP H A 70 ASP H 1.0 1.8 5.07 1676 1151 A 69 ASP H A 72 VAL HG2% 1.0 1.8 4.75 1677 1151 A 72 VAL HG1% A 69 ASP H 1.0 1.8 4.75 1678 1152 A 70 ASP H A 69 ASP HBx 1.0 1.8 4.82 1679 1152 A 69 ASP HBy A 70 ASP H 1.0 1.8 4.82 1680 1153 A 71 ASN H A 69 ASP HBx 1.0 1.8 5.43 1681 1153 A 71 ASN H A 69 ASP HBy 1.0 1.8 5.43 1682 1154 A 69 ASP HBy A 72 VAL HG2% 1.0 1.8 4.53 1683 1154 A 69 ASP HBx A 72 VAL HG2% 1.0 1.8 4.53 1684 1154 A 72 VAL HG1% A 69 ASP HBx 1.0 1.8 4.53 1685 1154 A 72 VAL HG1% A 69 ASP HBy 1.0 1.8 4.53 1686 1155 A 73 LYS H A 70 ASP HA 1.0 1.8 4.38 1687 1156 A 70 ASP HA A 73 LYS HBx 1.0 1.8 4.40 1688 1156 A 70 ASP HA A 73 LYS HBy 1.0 1.8 4.40 1689 1157 A 70 ASP HA A 73 LYS HDx 1.0 1.8 5.42 1690 1157 A 70 ASP HA A 73 LYS HDy 1.0 1.8 5.42 1691 1158 A 70 ASP HA A 73 LYS HEx 1.0 1.8 5.95 1692 1158 A 70 ASP HA A 73 LYS HEy 1.0 1.8 5.95 1693 1159 A 74 ARG H A 70 ASP HA 1.0 1.8 5.72 1694 1160 A 70 ASP H A 70 ASP HBx 1.0 1.8 3.12 1695 1160 A 70 ASP H A 70 ASP HBy 1.0 1.8 3.12 1696 1161 A 70 ASP H A 71 ASN HA 1.0 1.8 5.47 1697 1162 A 71 ASN H A 70 ASP H 1.0 1.8 3.51 1698 1163 A 71 ASN HA A 70 ASP HBx 1.0 1.8 5.30 1699 1163 A 70 ASP HBy A 71 ASN HA 1.0 1.8 5.30 1700 1164 A 71 ASN H A 70 ASP HBx 1.0 1.8 3.62 1701 1164 A 71 ASN H A 70 ASP HBy 1.0 1.8 3.62 1702 1165 A 73 LYS H A 70 ASP HBx 1.0 1.8 6.00 1703 1165 A 73 LYS H A 70 ASP HBy 1.0 1.8 6.00 1704 1166 A 74 ARG H A 70 ASP HBx 1.0 1.8 6.00 1705 1166 A 74 ARG H A 70 ASP HBy 1.0 1.8 6.00 1706 1167 A 73 LYS H A 71 ASN HA 1.0 1.8 5.18 1707 1168 A 74 ARG H A 71 ASN HA 1.0 1.8 4.11 1708 1169 A 71 ASN HA A 74 ARG HBx 1.0 1.8 4.07 1709 1169 A 74 ARG HBy A 71 ASN HA 1.0 1.8 4.07 1710 1170 A 71 ASN HA A 74 ARG HDx 1.0 1.8 4.98 1711 1170 A 74 ARG HDy A 71 ASN HA 1.0 1.8 4.98 1712 1171 A 75 ARG H A 71 ASN HA 1.0 1.8 5.80 1713 1172 A 71 ASN H A 71 ASN HBy 1.0 1.8 3.58 1714 1172 A 71 ASN H A 71 ASN HBx 1.0 1.8 3.58 1715 1173 A 71 ASN H A 71 ASN HBy 1.0 1.8 4.16 1716 1174 A 71 ASN H A 71 ASN HBx 1.0 1.8 4.16 1717 1175 A 71 ASN H A 72 VAL HA 1.0 1.8 5.80 1718 1176 A 71 ASN H A 72 VAL HB 1.0 1.8 5.51 1719 1177 A 71 ASN H A 72 VAL H 1.0 1.8 3.67 1720 1178 A 71 ASN H A 72 VAL HG2% 1.0 1.8 4.58 1721 1178 A 71 ASN H A 72 VAL HG1% 1.0 1.8 4.58 1722 1179 A 71 ASN H A 73 LYS H 1.0 1.8 4.77 1723 1180 A 71 ASN H A 74 ARG H 1.0 1.8 5.59 1724 1181 A 71 ASN H A 74 ARG HGx 1.0 1.8 5.59 1725 1181 A 71 ASN H A 74 ARG HGy 1.0 1.8 5.59 1726 1182 A 72 VAL HA A 71 ASN HBy 1.0 1.8 5.48 1727 1182 A 71 ASN HBx A 72 VAL HA 1.0 1.8 5.48 1728 1183 A 72 VAL HB A 71 ASN HBy 1.0 1.8 5.37 1729 1183 A 71 ASN HBx A 72 VAL HB 1.0 1.8 5.37 1730 1184 A 72 VAL H A 71 ASN HBy 1.0 1.8 4.91 1731 1184 A 71 ASN HBx A 72 VAL H 1.0 1.8 4.91 1732 1185 A 73 LYS H A 71 ASN HBy 1.0 1.8 5.87 1733 1185 A 71 ASN HBx A 73 LYS H 1.0 1.8 5.87 1734 1186 A 74 ARG H A 71 ASN HBy 1.0 1.8 5.65 1735 1186 A 71 ASN HBx A 74 ARG H 1.0 1.8 5.65 1736 1187 A 71 ASN HBy A 74 ARG HBx 1.0 1.8 4.54 1737 1187 A 71 ASN HBx A 74 ARG HBx 1.0 1.8 4.54 1738 1187 A 74 ARG HBy A 71 ASN HBy 1.0 1.8 4.54 1739 1187 A 71 ASN HBx A 74 ARG HBy 1.0 1.8 4.54 1740 1188 A 72 VAL HA A 72 VAL HG1% 1.0 1.8 4.24 1741 1189 A 72 VAL HA A 72 VAL HG2% 1.0 1.8 4.24 1742 1190 A 72 VAL HA A 73 LYS HA 1.0 1.8 5.82 1743 1191 A 72 VAL HA A 74 ARG H 1.0 1.8 5.62 1744 1192 A 75 ARG H A 72 VAL HA 1.0 1.8 4.69 1745 1193 A 72 VAL HA A 75 ARG HBx 1.0 1.8 5.36 1746 1193 A 72 VAL HA A 75 ARG HBy 1.0 1.8 5.36 1747 1194 A 72 VAL HA A 75 ARG HDx 1.0 1.8 5.53 1748 1194 A 75 ARG HDy A 72 VAL HA 1.0 1.8 5.53 1749 1195 A 72 VAL HA A 76 GLN H 1.0 1.8 6.00 1750 1196 A 72 VAL HB A 73 LYS H 1.0 1.8 4.50 1751 1197 A 72 VAL H A 72 VAL HB 1.0 1.8 3.71 1752 1198 A 72 VAL H A 72 VAL HG2% 1.0 1.8 3.52 1753 1198 A 72 VAL H A 72 VAL HG1% 1.0 1.8 3.52 1754 1199 A 72 VAL H A 72 VAL HG1% 1.0 1.8 4.30 1755 1200 A 72 VAL H A 72 VAL HG2% 1.0 1.8 4.30 1756 1201 A 72 VAL H A 73 LYS H 1.0 1.8 3.65 1757 1202 A 72 VAL H A 73 LYS HBx 1.0 1.8 5.36 1758 1202 A 72 VAL H A 73 LYS HBy 1.0 1.8 5.36 1759 1203 A 72 VAL H A 74 ARG H 1.0 1.8 4.72 1760 1204 A 72 VAL H A 74 ARG HBx 1.0 1.8 5.96 1761 1204 A 72 VAL H A 74 ARG HBy 1.0 1.8 5.96 1762 1205 A 72 VAL H A 74 ARG HGx 1.0 1.8 6.00 1763 1205 A 72 VAL H A 74 ARG HGy 1.0 1.8 6.00 1764 1206 A 73 LYS HA A 72 VAL HG2% 1.0 1.8 4.30 1765 1206 A 72 VAL HG1% A 73 LYS HA 1.0 1.8 4.30 1766 1207 A 73 LYS H A 72 VAL HG2% 1.0 1.8 4.41 1767 1207 A 72 VAL HG1% A 73 LYS H 1.0 1.8 4.41 1768 1208 A 74 ARG H A 72 VAL HG2% 1.0 1.8 5.06 1769 1208 A 74 ARG H A 72 VAL HG1% 1.0 1.8 5.06 1770 1209 A 75 ARG H A 72 VAL HG2% 1.0 1.8 5.98 1771 1209 A 75 ARG H A 72 VAL HG1% 1.0 1.8 5.98 1772 1210 A 72 VAL HG1% A 75 ARG HDx 1.0 1.8 5.00 1773 1210 A 72 VAL HG2% A 75 ARG HDx 1.0 1.8 5.00 1774 1210 A 75 ARG HDy A 72 VAL HG2% 1.0 1.8 5.00 1775 1210 A 75 ARG HDy A 72 VAL HG1% 1.0 1.8 5.00 1776 1211 A 72 VAL HG2% A 75 ARG HGx 1.0 1.8 5.98 1777 1211 A 72 VAL HG1% A 75 ARG HGx 1.0 1.8 5.98 1778 1211 A 75 ARG HGy A 72 VAL HG2% 1.0 1.8 5.98 1779 1211 A 75 ARG HGy A 72 VAL HG1% 1.0 1.8 5.98 1780 1212 A 76 GLN H A 72 VAL HG2% 1.0 1.8 5.98 1781 1212 A 72 VAL HG1% A 76 GLN H 1.0 1.8 5.98 1782 1213 A 72 VAL HG2% A 76 GLN HGy 1.0 1.8 4.68 1783 1213 A 72 VAL HG1% A 76 GLN HGy 1.0 1.8 4.68 1784 1213 A 76 GLN HGx A 72 VAL HG2% 1.0 1.8 4.68 1785 1213 A 72 VAL HG1% A 76 GLN HGx 1.0 1.8 4.68 1786 1214 A 72 VAL HG1% A 73 LYS HA 1.0 1.8 5.23 1787 1215 A 73 LYS HA A 72 VAL HG2% 1.0 1.8 5.63 1788 1216 A 73 LYS HA A 73 LYS HDx 1.0 1.8 4.70 1789 1216 A 73 LYS HDy A 73 LYS HA 1.0 1.8 4.70 1790 1217 A 75 ARG H A 73 LYS HA 1.0 1.8 4.92 1791 1218 A 73 LYS HA A 76 GLN H 1.0 1.8 4.17 1792 1219 A 73 LYS HA A 76 GLN HGy 1.0 1.8 4.10 1793 1219 A 73 LYS HA A 76 GLN HGx 1.0 1.8 4.10 1794 1220 A 73 LYS HA A 76 GLN HGy 1.0 1.8 4.76 1795 1221 A 73 LYS HA A 76 GLN HGx 1.0 1.8 4.76 1796 1222 A 73 LYS HA A 77 GLU H 1.0 1.8 5.19 1797 1223 A 73 LYS H A 73 LYS HBx 1.0 1.8 3.17 1798 1223 A 73 LYS H A 73 LYS HBy 1.0 1.8 3.17 1799 1224 A 73 LYS H A 73 LYS HDx 1.0 1.8 4.76 1800 1224 A 73 LYS H A 73 LYS HDy 1.0 1.8 4.76 1801 1225 A 73 LYS H A 76 GLN HGy 1.0 1.8 5.87 1802 1225 A 73 LYS H A 76 GLN HGx 1.0 1.8 5.87 1803 1226 A 73 LYS HBy A 73 LYS HEx 1.0 1.8 4.32 1804 1226 A 73 LYS HBx A 73 LYS HEx 1.0 1.8 4.32 1805 1226 A 73 LYS HEy A 73 LYS HBx 1.0 1.8 4.32 1806 1226 A 73 LYS HBy A 73 LYS HEy 1.0 1.8 4.32 1807 1227 A 74 ARG H A 73 LYS HBx 1.0 1.8 4.03 1808 1227 A 74 ARG H A 73 LYS HBy 1.0 1.8 4.03 1809 1228 A 76 GLN H A 73 LYS HBx 1.0 1.8 5.50 1810 1228 A 73 LYS HBy A 76 GLN H 1.0 1.8 5.50 1811 1229 A 77 GLU H A 73 LYS HBx 1.0 1.8 5.93 1812 1229 A 73 LYS HBy A 77 GLU H 1.0 1.8 5.93 1813 1230 A 74 ARG HA A 73 LYS HDx 1.0 1.8 5.60 1814 1230 A 73 LYS HDy A 74 ARG HA 1.0 1.8 5.60 1815 1231 A 74 ARG H A 73 LYS HDx 1.0 1.8 4.90 1816 1231 A 74 ARG H A 73 LYS HDy 1.0 1.8 4.90 1817 1232 A 73 LYS HEx A 74 ARG HGx 1.0 1.8 5.92 1818 1232 A 73 LYS HEy A 74 ARG HGx 1.0 1.8 5.92 1819 1232 A 74 ARG HGy A 73 LYS HEx 1.0 1.8 5.92 1820 1232 A 74 ARG HGy A 73 LYS HEy 1.0 1.8 5.92 1821 1233 A 73 LYS HEx A 73 LYS HGx 1.0 1.8 3.82 1822 1233 A 73 LYS HEy A 73 LYS HGx 1.0 1.8 3.82 1823 1233 A 73 LYS HGy A 73 LYS HEx 1.0 1.8 3.82 1824 1233 A 73 LYS HEy A 73 LYS HGy 1.0 1.8 3.82 1825 1234 A 74 ARG H A 73 LYS HGx 1.0 1.8 5.79 1826 1234 A 74 ARG H A 73 LYS HGy 1.0 1.8 5.79 1827 1235 A 73 LYS HGx A 76 GLN HBx 1.0 1.8 4.72 1828 1235 A 73 LYS HGy A 76 GLN HBx 1.0 1.8 4.72 1829 1235 A 76 GLN HBy A 73 LYS HGx 1.0 1.8 4.72 1830 1235 A 73 LYS HGy A 76 GLN HBy 1.0 1.8 4.72 1831 1236 A 77 GLU H A 73 LYS HGx 1.0 1.8 5.21 1832 1236 A 77 GLU H A 73 LYS HGy 1.0 1.8 5.21 1833 1237 A 73 LYS HGy A 77 GLU HBx 1.0 1.8 4.88 1834 1237 A 77 GLU HBy A 73 LYS HGx 1.0 1.8 4.88 1835 1237 A 73 LYS HGy A 77 GLU HBy 1.0 1.8 4.88 1836 1237 A 73 LYS HGx A 77 GLU HBx 1.0 1.8 4.88 1837 1238 A 74 ARG HA A 74 ARG HDx 1.0 1.8 5.08 1838 1238 A 74 ARG HDy A 74 ARG HA 1.0 1.8 5.08 1839 1239 A 74 ARG HA A 74 ARG HGx 1.0 1.8 4.49 1840 1239 A 74 ARG HGy A 74 ARG HA 1.0 1.8 4.49 1841 1240 A 76 GLN H A 74 ARG HA 1.0 1.8 5.07 1842 1241 A 77 GLU H A 74 ARG HA 1.0 1.8 4.41 1843 1242 A 74 ARG HA A 77 GLU HBx 1.0 1.8 4.08 1844 1242 A 74 ARG HA A 77 GLU HBy 1.0 1.8 4.08 1845 1243 A 74 ARG HA A 78 LEU HD2% 1.0 1.8 4.90 1846 1243 A 78 LEU HD1% A 74 ARG HA 1.0 1.8 4.90 1847 1244 A 74 ARG H A 74 ARG HBx 1.0 1.8 3.12 1848 1244 A 74 ARG HBy A 74 ARG H 1.0 1.8 3.12 1849 1245 A 74 ARG H A 74 ARG HDx 1.0 1.8 5.25 1850 1245 A 74 ARG H A 74 ARG HDy 1.0 1.8 5.25 1851 1246 A 74 ARG H A 74 ARG HGx 1.0 1.8 4.27 1852 1246 A 74 ARG H A 74 ARG HGy 1.0 1.8 4.27 1853 1247 A 75 ARG HA A 74 ARG H 1.0 1.8 6.00 1854 1248 A 75 ARG H A 74 ARG H 1.0 1.8 3.85 1855 1249 A 74 ARG H A 75 ARG HBx 1.0 1.8 6.00 1856 1249 A 75 ARG HBy A 74 ARG H 1.0 1.8 6.00 1857 1250 A 74 ARG H A 76 GLN HBx 1.0 1.8 6.00 1858 1250 A 74 ARG H A 76 GLN HBy 1.0 1.8 6.00 1859 1251 A 74 ARG H A 76 GLN HGy 1.0 1.8 5.87 1860 1251 A 74 ARG H A 76 GLN HGx 1.0 1.8 5.87 1861 1252 A 74 ARG H A 77 GLU H 1.0 1.8 5.56 1862 1253 A 74 ARG H A 77 GLU HBx 1.0 1.8 5.61 1863 1253 A 74 ARG H A 77 GLU HBy 1.0 1.8 5.61 1864 1254 A 75 ARG H A 74 ARG HBx 1.0 1.8 3.86 1865 1254 A 75 ARG H A 74 ARG HBy 1.0 1.8 3.86 1866 1255 A 74 ARG HBy A 75 ARG HBx 1.0 1.8 4.81 1867 1255 A 74 ARG HBx A 75 ARG HBx 1.0 1.8 4.81 1868 1255 A 75 ARG HBy A 74 ARG HBx 1.0 1.8 4.81 1869 1255 A 74 ARG HBy A 75 ARG HBy 1.0 1.8 4.81 1870 1256 A 77 GLU H A 74 ARG HBx 1.0 1.8 6.00 1871 1256 A 74 ARG HBy A 77 GLU H 1.0 1.8 6.00 1872 1257 A 78 LEU H A 74 ARG HBx 1.0 1.8 5.86 1873 1257 A 78 LEU H A 74 ARG HBy 1.0 1.8 5.86 1874 1258 A 74 ARG HBy A 78 LEU HD2% 1.0 1.8 3.99 1875 1258 A 74 ARG HBx A 78 LEU HD2% 1.0 1.8 3.99 1876 1258 A 78 LEU HD1% A 74 ARG HBx 1.0 1.8 3.99 1877 1258 A 78 LEU HD1% A 74 ARG HBy 1.0 1.8 3.99 1878 1259 A 74 ARG HDx A 78 LEU HD2% 1.0 1.8 5.33 1879 1259 A 74 ARG HDy A 78 LEU HD2% 1.0 1.8 5.33 1880 1259 A 78 LEU HD1% A 74 ARG HDx 1.0 1.8 5.33 1881 1259 A 78 LEU HD1% A 74 ARG HDy 1.0 1.8 5.33 1882 1260 A 74 ARG HGx A 77 GLU HBx 1.0 1.8 5.26 1883 1260 A 77 GLU HBy A 74 ARG HGx 1.0 1.8 5.26 1884 1260 A 74 ARG HGy A 77 GLU HBy 1.0 1.8 5.26 1885 1260 A 74 ARG HGy A 77 GLU HBx 1.0 1.8 5.26 1886 1261 A 74 ARG HGx A 78 LEU HD2% 1.0 1.8 4.74 1887 1261 A 74 ARG HGy A 78 LEU HD2% 1.0 1.8 4.74 1888 1261 A 78 LEU HD1% A 74 ARG HGx 1.0 1.8 4.74 1889 1261 A 78 LEU HD1% A 74 ARG HGy 1.0 1.8 4.74 1890 1262 A 75 ARG HA A 75 ARG HDx 1.0 1.8 5.32 1891 1262 A 75 ARG HDy A 75 ARG HA 1.0 1.8 5.32 1892 1263 A 75 ARG HA A 75 ARG HGx 1.0 1.8 4.61 1893 1263 A 75 ARG HGy A 75 ARG HA 1.0 1.8 4.61 1894 1264 A 75 ARG HA A 78 LEU HD2% 1.0 1.8 4.83 1895 1264 A 78 LEU HD1% A 75 ARG HA 1.0 1.8 4.83 1896 1265 A 79 ALA H A 75 ARG HA 1.0 1.8 5.59 1897 1266 A 75 ARG H A 75 ARG HBx 1.0 1.8 3.88 1898 1266 A 75 ARG H A 75 ARG HBy 1.0 1.8 3.88 1899 1267 A 75 ARG H A 75 ARG HDx 1.0 1.8 4.86 1900 1267 A 75 ARG H A 75 ARG HDy 1.0 1.8 4.86 1901 1268 A 75 ARG H A 76 GLN HBx 1.0 1.8 5.57 1902 1268 A 75 ARG H A 76 GLN HBy 1.0 1.8 5.57 1903 1269 A 75 ARG H A 76 GLN HGy 1.0 1.8 5.27 1904 1269 A 75 ARG H A 76 GLN HGx 1.0 1.8 5.27 1905 1270 A 75 ARG H A 77 GLU H 1.0 1.8 4.72 1906 1271 A 75 ARG HBy A 75 ARG HDx 1.0 1.8 4.11 1907 1271 A 75 ARG HDy A 75 ARG HBx 1.0 1.8 4.11 1908 1271 A 75 ARG HDy A 75 ARG HBy 1.0 1.8 4.11 1909 1271 A 75 ARG HBx A 75 ARG HDx 1.0 1.8 4.11 1910 1272 A 76 GLN H A 75 ARG HBx 1.0 1.8 4.32 1911 1272 A 75 ARG HBy A 76 GLN H 1.0 1.8 4.32 1912 1273 A 76 GLN HA A 75 ARG HDx 1.0 1.8 6.00 1913 1273 A 75 ARG HDy A 76 GLN HA 1.0 1.8 6.00 1914 1274 A 76 GLN H A 75 ARG HDx 1.0 1.8 5.31 1915 1274 A 75 ARG HDy A 76 GLN H 1.0 1.8 5.31 1916 1275 A 77 GLU H A 75 ARG HGx 1.0 1.8 6.00 1917 1275 A 75 ARG HGy A 77 GLU H 1.0 1.8 6.00 1918 1276 A 76 GLN HA A 76 GLN HGy 1.0 1.8 3.72 1919 1276 A 76 GLN HGx A 76 GLN HA 1.0 1.8 3.72 1920 1277 A 76 GLN HA A 76 GLN HGy 1.0 1.8 4.47 1921 1278 A 76 GLN HGx A 76 GLN HA 1.0 1.8 4.47 1922 1279 A 78 LEU H A 76 GLN HA 1.0 1.8 5.26 1923 1280 A 79 ALA H A 76 GLN HA 1.0 1.8 4.87 1924 1281 A 79 ALA HB% A 76 GLN HA 1.0 1.8 3.77 1925 1282 A 76 GLN H A 76 GLN HBx 1.0 1.8 3.83 1926 1282 A 76 GLN H A 76 GLN HBy 1.0 1.8 3.83 1927 1283 A 76 GLN H A 76 GLN HGy 1.0 1.8 4.15 1928 1283 A 76 GLN H A 76 GLN HGx 1.0 1.8 4.15 1929 1284 A 76 GLN H A 77 GLU H 1.0 1.8 3.88 1930 1285 A 76 GLN H A 77 GLU HBx 1.0 1.8 4.86 1931 1285 A 76 GLN H A 77 GLU HBy 1.0 1.8 4.86 1932 1286 A 77 GLU H A 76 GLN HBx 1.0 1.8 3.40 1933 1286 A 77 GLU H A 76 GLN HBy 1.0 1.8 3.40 1934 1287 A 79 ALA H A 76 GLN HBx 1.0 1.8 5.95 1935 1287 A 79 ALA H A 76 GLN HBy 1.0 1.8 5.95 1936 1288 A 79 ALA HB% A 76 GLN HBx 1.0 1.8 4.60 1937 1288 A 79 ALA HB% A 76 GLN HBy 1.0 1.8 4.60 1938 1289 A 77 GLU H A 76 GLN HGy 1.0 1.8 5.32 1939 1289 A 76 GLN HGx A 77 GLU H 1.0 1.8 5.32 1940 1290 A 79 ALA HB% A 76 GLN HGy 1.0 1.8 5.87 1941 1290 A 79 ALA HB% A 76 GLN HGx 1.0 1.8 5.87 1942 1291 A 77 GLU H A 76 GLN HGy 1.0 1.8 6.00 1943 1292 A 76 GLN HGx A 77 GLU H 1.0 1.8 6.00 1944 1293 A 77 GLU H A 77 GLU HBx 1.0 1.8 3.47 1945 1293 A 77 GLU H A 77 GLU HBy 1.0 1.8 3.47 1946 1294 A 78 LEU HG A 77 GLU H 1.0 1.8 5.36 1947 1295 A 77 GLU H A 78 LEU HD2% 1.0 1.8 5.63 1948 1295 A 78 LEU HD1% A 77 GLU H 1.0 1.8 5.63 1949 1296 A 79 ALA H A 77 GLU H 1.0 1.8 4.65 1950 1297 A 79 ALA HB% A 77 GLU H 1.0 1.8 4.86 1951 1298 A 78 LEU HA A 77 GLU HBx 1.0 1.8 5.20 1952 1298 A 77 GLU HBy A 78 LEU HA 1.0 1.8 5.20 1953 1299 A 78 LEU H A 77 GLU HBx 1.0 1.8 4.41 1954 1299 A 78 LEU H A 77 GLU HBy 1.0 1.8 4.41 1955 1300 A 78 LEU HBy A 77 GLU HBx 1.0 1.8 5.79 1956 1300 A 78 LEU HBy A 77 GLU HBy 1.0 1.8 5.79 1957 1301 A 77 GLU HBx A 78 LEU HD2% 1.0 1.8 4.43 1958 1301 A 77 GLU HBy A 78 LEU HD2% 1.0 1.8 4.43 1959 1301 A 78 LEU HD1% A 77 GLU HBx 1.0 1.8 4.43 1960 1301 A 78 LEU HD1% A 77 GLU HBy 1.0 1.8 4.43 1961 1302 A 78 LEU HD1% A 77 GLU HBx 1.0 1.8 5.05 1962 1302 A 78 LEU HD1% A 77 GLU HBy 1.0 1.8 5.05 1963 1303 A 77 GLU HBy A 78 LEU HD2% 1.0 1.8 5.05 1964 1303 A 77 GLU HBx A 78 LEU HD2% 1.0 1.8 5.05 1965 1304 A 79 ALA H A 77 GLU HBx 1.0 1.8 5.40 1966 1304 A 79 ALA H A 77 GLU HBy 1.0 1.8 5.40 1967 1305 A 77 GLU HBx A 81 GLN HGx 1.0 1.8 5.83 1968 1305 A 77 GLU HBy A 81 GLN HGx 1.0 1.8 5.83 1969 1305 A 81 GLN HGy A 77 GLU HBx 1.0 1.8 5.83 1970 1305 A 77 GLU HBy A 81 GLN HGy 1.0 1.8 5.83 1971 1306 A 78 LEU HG A 78 LEU HA 1.0 1.8 4.16 1972 1307 A 78 LEU HA A 78 LEU HD2% 1.0 1.8 3.39 1973 1307 A 78 LEU HD1% A 78 LEU HA 1.0 1.8 3.39 1974 1308 A 78 LEU HD1% A 78 LEU HA 1.0 1.8 4.44 1975 1309 A 78 LEU HA A 78 LEU HD2% 1.0 1.8 4.44 1976 1310 A 79 ALA H A 78 LEU HA 1.0 1.8 3.92 1977 1311 A 81 GLN H A 78 LEU HA 1.0 1.8 3.98 1978 1312 A 78 LEU HA A 81 GLN HBx 1.0 1.8 4.16 1979 1312 A 81 GLN HBy A 78 LEU HA 1.0 1.8 4.16 1980 1313 A 78 LEU HA A 81 GLN HGx 1.0 1.8 4.99 1981 1313 A 78 LEU HA A 81 GLN HGy 1.0 1.8 4.99 1982 1314 A 79 ALA H A 78 LEU HG 1.0 1.8 5.39 1983 1315 A 78 LEU HG A 81 GLN HBx 1.0 1.8 5.78 1984 1315 A 81 GLN HBy A 78 LEU HG 1.0 1.8 5.78 1985 1316 A 78 LEU H A 78 LEU HG 1.0 1.8 3.69 1986 1317 A 78 LEU HBy A 78 LEU H 1.0 1.8 4.38 1987 1318 A 78 LEU H A 78 LEU HD2% 1.0 1.8 4.05 1988 1318 A 78 LEU HD1% A 78 LEU H 1.0 1.8 4.05 1989 1319 A 78 LEU HD1% A 78 LEU H 1.0 1.8 4.64 1990 1320 A 78 LEU H A 78 LEU HD2% 1.0 1.8 4.64 1991 1321 A 78 LEU H A 79 ALA H 1.0 1.8 3.84 1992 1322 A 79 ALA HB% A 78 LEU H 1.0 1.8 4.71 1993 1323 A 78 LEU H A 80 ARG H 1.0 1.8 4.70 1994 1324 A 78 LEU H A 81 GLN HBx 1.0 1.8 5.99 1995 1324 A 78 LEU H A 81 GLN HBy 1.0 1.8 5.99 1996 1325 A 78 LEU HBy A 78 LEU HD1% 1.0 1.8 3.76 1997 1326 A 78 LEU HBy A 78 LEU HD2% 1.0 1.8 3.76 1998 1327 A 78 LEU HBy A 79 ALA HA 1.0 1.8 5.17 1999 1328 A 78 LEU HBy A 80 ARG H 1.0 1.8 6.00 2000 1329 A 78 LEU HBy A 81 GLN HBx 1.0 1.8 5.45 2001 1329 A 78 LEU HBy A 81 GLN HBy 1.0 1.8 5.45 2002 1330 A 78 LEU HBx A 79 ALA HA 1.0 1.8 5.72 2003 1331 A 78 LEU HBx A 79 ALA H 1.0 1.8 4.50 2004 1332 A 78 LEU HBx A 81 GLN H 1.0 1.8 5.61 2005 1333 A 78 LEU HBx A 81 GLN HBx 1.0 1.8 5.26 2006 1333 A 78 LEU HBx A 81 GLN HBy 1.0 1.8 5.26 2007 1334 A 81 GLN H A 78 LEU HD2% 1.0 1.8 5.82 2008 1334 A 78 LEU HD1% A 81 GLN H 1.0 1.8 5.82 2009 1335 A 78 LEU HD2% A 81 GLN HBx 1.0 1.8 4.09 2010 1335 A 78 LEU HD1% A 81 GLN HBx 1.0 1.8 4.09 2011 1335 A 81 GLN HBy A 78 LEU HD2% 1.0 1.8 4.09 2012 1335 A 78 LEU HD1% A 81 GLN HBy 1.0 1.8 4.09 2013 1336 A 78 LEU HD2% A 81 GLN HGx 1.0 1.8 4.82 2014 1336 A 78 LEU HD1% A 81 GLN HGx 1.0 1.8 4.82 2015 1336 A 81 GLN HGy A 78 LEU HD2% 1.0 1.8 4.82 2016 1336 A 78 LEU HD1% A 81 GLN HGy 1.0 1.8 4.82 2017 1337 A 82 CYS H A 78 LEU HD2% 1.0 1.8 5.98 2018 1337 A 78 LEU HD1% A 82 CYS H 1.0 1.8 5.98 2019 1338 A 78 LEU HD1% A 82 CYS HBy 1.0 1.8 5.81 2020 1338 A 78 LEU HD2% A 82 CYS HBy 1.0 1.8 5.81 2021 1338 A 82 CYS HBx A 78 LEU HD2% 1.0 1.8 5.81 2022 1338 A 78 LEU HD1% A 82 CYS HBx 1.0 1.8 5.81 2023 1339 A 78 LEU HD1% A 79 ALA H 1.0 1.8 5.70 2024 1340 A 79 ALA H A 78 LEU HD2% 1.0 1.8 5.70 2025 1341 A 79 ALA HA A 80 ARG HBx 1.0 1.8 6.00 2026 1341 A 79 ALA HA A 80 ARG HBy 1.0 1.8 6.00 2027 1342 A 79 ALA HA A 81 GLN H 1.0 1.8 5.72 2028 1343 A 79 ALA HA A 81 GLN HBx 1.0 1.8 5.94 2029 1343 A 79 ALA HA A 81 GLN HBy 1.0 1.8 5.94 2030 1344 A 79 ALA HA A 82 CYS H 1.0 1.8 5.46 2031 1345 A 79 ALA HA A 82 CYS HBy 1.0 1.8 4.87 2032 1345 A 79 ALA HA A 82 CYS HBx 1.0 1.8 4.87 2033 1346 A 79 ALA HA A 82 CYS HBy 1.0 1.8 5.56 2034 1347 A 79 ALA HA A 82 CYS HBx 1.0 1.8 5.56 2035 1348 A 79 ALA HA A 83 GLY H 1.0 1.8 5.49 2036 1349 A 79 ALA HB% A 79 ALA H 1.0 1.8 3.38 2037 1350 A 79 ALA H A 80 ARG HDx 1.0 1.8 6.00 2038 1350 A 79 ALA H A 80 ARG HDy 1.0 1.8 6.00 2039 1351 A 79 ALA H A 80 ARG HGx 1.0 1.8 5.97 2040 1351 A 79 ALA H A 80 ARG HGy 1.0 1.8 5.97 2041 1352 A 79 ALA H A 81 GLN HBx 1.0 1.8 5.60 2042 1352 A 79 ALA H A 81 GLN HBy 1.0 1.8 5.60 2043 1353 A 79 ALA HB% A 80 ARG H 1.0 1.8 3.63 2044 1354 A 79 ALA HB% A 80 ARG HBx 1.0 1.8 4.92 2045 1354 A 79 ALA HB% A 80 ARG HBy 1.0 1.8 4.92 2046 1355 A 79 ALA HB% A 80 ARG HDx 1.0 1.8 5.26 2047 1355 A 79 ALA HB% A 80 ARG HDy 1.0 1.8 5.26 2048 1356 A 79 ALA HB% A 82 CYS H 1.0 1.8 5.48 2049 1357 A 79 ALA HB% A 82 CYS HBy 1.0 1.8 6.00 2050 1358 A 79 ALA HB% A 82 CYS HBx 1.0 1.8 6.00 2051 1359 A 83 GLY H A 80 ARG HA 1.0 1.8 5.57 2052 1360 A 80 ARG H A 80 ARG HBx 1.0 1.8 3.19 2053 1360 A 80 ARG H A 80 ARG HBy 1.0 1.8 3.19 2054 1361 A 80 ARG H A 80 ARG HDx 1.0 1.8 4.73 2055 1361 A 80 ARG H A 80 ARG HDy 1.0 1.8 4.73 2056 1362 A 80 ARG H A 80 ARG HGx 1.0 1.8 4.19 2057 1362 A 80 ARG H A 80 ARG HGy 1.0 1.8 4.19 2058 1363 A 80 ARG H A 81 GLN H 1.0 1.8 3.67 2059 1364 A 80 ARG H A 81 GLN HBx 1.0 1.8 5.74 2060 1364 A 80 ARG H A 81 GLN HBy 1.0 1.8 5.74 2061 1365 A 80 ARG HBy A 80 ARG HDx 1.0 1.8 4.24 2062 1365 A 80 ARG HBx A 80 ARG HDx 1.0 1.8 4.24 2063 1365 A 80 ARG HDy A 80 ARG HBx 1.0 1.8 4.24 2064 1365 A 80 ARG HBy A 80 ARG HDy 1.0 1.8 4.24 2065 1366 A 81 GLN H A 80 ARG HBx 1.0 1.8 4.20 2066 1366 A 81 GLN H A 80 ARG HBy 1.0 1.8 4.20 2067 1367 A 81 GLN H A 81 GLN HBx 1.0 1.8 3.30 2068 1367 A 81 GLN H A 81 GLN HBy 1.0 1.8 3.30 2069 1368 A 81 GLN H A 81 GLN HGx 1.0 1.8 4.40 2070 1368 A 81 GLN H A 81 GLN HGy 1.0 1.8 4.40 2071 1369 A 82 CYS H A 81 GLN HBx 1.0 1.8 5.19 2072 1369 A 81 GLN HBy A 82 CYS H 1.0 1.8 5.19 2073 1370 A 81 GLN HBy A 82 CYS HBy 1.0 1.8 5.26 2074 1370 A 81 GLN HBx A 82 CYS HBy 1.0 1.8 5.26 2075 1370 A 82 CYS HBx A 81 GLN HBx 1.0 1.8 5.26 2076 1370 A 81 GLN HBy A 82 CYS HBx 1.0 1.8 5.26 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _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 10 ASN C A 11 THR N A 11 THR CA A 11 THR C 1.0 -163.1 -31.1 PHI 2 2 A 11 THR N A 11 THR CA A 11 THR C A 12 LEU N 1.0 133.0 184.6 PSI 3 3 A 11 THR C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -102.8 -50.4 PHI 4 4 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 PHE N 1.0 -57.6 -1.6 PSI 5 5 A 12 LEU C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -169.9 -96.5 PHI 6 6 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 VAL N 1.0 109.9 197.9 PSI 7 7 A 13 PHE C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -157.1 -90.1 PHI 8 8 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 ASP N 1.0 141.8 181.8 PSI 9 9 A 14 VAL C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -74.9 -34.9 PHI 10 10 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 GLY N 1.0 113.2 153.2 PSI 11 11 A 15 ASP C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 72.9 121.9 PHI 12 12 A 16 GLY N A 16 GLY CA A 16 GLY C A 17 GLU N 1.0 -34.8 5.2 PSI 13 13 A 16 GLY C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -94.3 -43.5 PHI 14 14 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 ARG N 1.0 110.5 157.9 PSI 15 15 A 17 GLU C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -115.3 -65.1 PHI 16 16 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 VAL N 1.0 97.3 155.1 PSI 17 17 A 18 ARG C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -155.7 -89.5 PHI 18 18 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 LEU N 1.0 143.2 183.2 PSI 19 19 A 19 VAL C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -176.6 -105.0 PHI 20 20 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 CYS N 1.0 134.9 174.9 PSI 21 21 A 20 LEU C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -137.1 -90.3 PHI 22 22 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 PHE N 1.0 113.3 155.1 PSI 23 23 A 26 LEU C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -165.8 -72.8 PHI 24 24 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 TYR N 1.0 127.1 167.1 PSI 25 25 A 27 ILE C A 28 TYR N A 28 TYR CA A 28 TYR C 1.0 -145.6 -85.4 PHI 26 26 A 28 TYR N A 28 TYR CA A 28 TYR C A 29 GLU N 1.0 121.6 163.0 PSI 27 27 A 28 TYR C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -107.9 -49.1 PHI 28 28 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 ALA N 1.0 97.5 165.9 PSI 29 29 A 29 GLU C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -153.0 -93.0 PHI 30 30 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 LYS N 1.0 113.2 172.2 PSI 31 31 A 30 ALA C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -155.3 -114.9 PHI 32 32 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 VAL N 1.0 114.5 161.9 PSI 33 33 A 31 LYS C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -103.2 -58.0 PHI 34 34 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 LEU N 1.0 91.6 152.2 PSI 35 35 A 32 VAL C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -119.0 -59.6 PHI 36 36 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 LYS N 1.0 -56.2 -16.2 PSI 37 37 A 33 LEU C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -179.4 -133.6 PHI 38 38 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 THR N 1.0 128.0 173.6 PSI 39 39 A 34 LYS C A 35 THR N A 35 THR CA A 35 THR C 1.0 -147.4 -92.4 PHI 40 40 A 35 THR N A 35 THR CA A 35 THR C A 36 LYS N 1.0 95.2 155.6 PSI 41 41 A 35 THR C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -130.9 -39.3 PHI 42 42 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 PRO N 1.0 73.3 184.9 PSI 43 43 A 37 PRO C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -110.2 -70.2 PHI 44 44 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 ALA N 1.0 -17.7 22.7 PSI 45 45 A 39 ALA C A 40 THR N A 40 THR CA A 40 THR C 1.0 -143.6 -95.8 PHI 46 46 A 40 THR N A 40 THR CA A 40 THR C A 41 PRO N 1.0 97.1 173.1 PSI 47 47 A 42 VAL C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -194.8 -74.8 PHI 48 48 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 TYR N 1.0 116.5 190.1 PSI 49 49 A 43 GLU C A 44 TYR N A 44 TYR CA A 44 TYR C 1.0 -191.0 -90.4 PHI 50 50 A 44 TYR N A 44 TYR CA A 44 TYR C A 45 TYR N 1.0 115.6 155.6 PSI 51 51 A 44 TYR C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -137.5 -65.9 PHI 52 52 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 ILE N 1.0 92.7 156.3 PSI 53 53 A 45 TYR C A 46 ILE N A 46 ILE CA A 46 ILE C 1.0 -146.6 -62.4 PHI 54 54 A 46 ILE N A 46 ILE CA A 46 ILE C A 47 HIS N 1.0 80.9 197.9 PSI 55 55 A 46 ILE C A 47 HIS N A 47 HIS CA A 47 HIS C 1.0 -140.6 -79.4 PHI 56 56 A 47 HIS N A 47 HIS CA A 47 HIS C A 48 TYR N 1.0 102.8 145.2 PSI 57 57 A 49 ALA C A 50 GLY N A 50 GLY CA A 50 GLY C 1.0 58.4 110.0 PHI 58 58 A 50 GLY N A 50 GLY CA A 50 GLY C A 51 TRP N 1.0 -35.2 25.2 PSI 59 59 A 50 GLY C A 51 TRP N A 51 TRP CA A 51 TRP C 1.0 -142.3 -51.7 PHI 60 60 A 51 TRP N A 51 TRP CA A 51 TRP C A 52 SER N 1.0 99.5 188.3 PSI 61 61 A 51 TRP C A 52 SER N A 52 SER CA A 52 SER C 1.0 -128.9 -49.3 PHI 62 62 A 52 SER N A 52 SER CA A 52 SER C A 53 LYS N 1.0 75.6 200.0 PSI 63 63 A 52 SER C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -82.4 -42.4 PHI 64 64 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 ASN N 1.0 -52.5 -12.5 PSI 65 65 A 53 LYS C A 54 ASN N A 54 ASN CA A 54 ASN C 1.0 -88.2 -48.2 PHI 66 66 A 54 ASN N A 54 ASN CA A 54 ASN C A 55 TRP N 1.0 -62.2 -3.4 PSI 67 67 A 54 ASN C A 55 TRP N A 55 TRP CA A 55 TRP C 1.0 -128.2 -69.0 PHI 68 68 A 55 TRP N A 55 TRP CA A 55 TRP C A 56 ASP N 1.0 -33.4 36.6 PSI 69 69 A 55 TRP C A 56 ASP N A 56 ASP CA A 56 ASP C 1.0 35.8 90.6 PHI 70 70 A 56 ASP N A 56 ASP CA A 56 ASP C A 57 GLU N 1.0 0.1 72.9 PSI 71 71 A 57 GLU C A 58 TRP N A 58 TRP CA A 58 TRP C 1.0 -103.9 -60.5 PHI 72 72 A 58 TRP N A 58 TRP CA A 58 TRP C A 59 VAL N 1.0 118.7 159.5 PSI 73 73 A 58 TRP C A 59 VAL N A 59 VAL CA A 59 VAL C 1.0 -151.3 -65.9 PHI 74 74 A 59 VAL N A 59 VAL CA A 59 VAL C A 60 PRO N 1.0 82.0 163.6 PSI 75 75 A 60 PRO C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -80.4 -25.4 PHI 76 76 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 ASN N 1.0 -68.1 -13.7 PSI 77 77 A 61 GLU C A 62 ASN N A 62 ASN CA A 62 ASN C 1.0 -90.0 -50.0 PHI 78 78 A 62 ASN N A 62 ASN CA A 62 ASN C A 63 ARG N 1.0 -50.9 -0.9 PSI 79 79 A 62 ASN C A 63 ARG N A 63 ARG CA A 63 ARG C 1.0 -121.5 -68.9 PHI 80 80 A 63 ARG N A 63 ARG CA A 63 ARG C A 64 VAL N 1.0 -41.7 33.9 PSI 81 81 A 64 VAL C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -163.4 -91.8 PHI 82 82 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 LYS N 1.0 136.4 176.4 PSI 83 83 A 65 LEU C A 66 LYS N A 66 LYS CA A 66 LYS C 1.0 -134.0 -46.8 PHI 84 84 A 66 LYS N A 66 LYS CA A 66 LYS C A 67 TYR N 1.0 89.2 189.4 PSI 85 85 A 67 TYR C A 68 ASN N A 68 ASN CA A 68 ASN C 1.0 -152.2 -42.2 PHI 86 86 A 68 ASN N A 68 ASN CA A 68 ASN C A 69 ASP N 1.0 132.9 200.5 PSI 87 87 A 68 ASN C A 69 ASP N A 69 ASP CA A 69 ASP C 1.0 -80.2 -40.2 PHI 88 88 A 69 ASP N A 69 ASP CA A 69 ASP C A 70 ASP N 1.0 -57.6 -17.6 PSI 89 89 A 69 ASP C A 70 ASP N A 70 ASP CA A 70 ASP C 1.0 -87.8 -47.8 PHI 90 90 A 70 ASP N A 70 ASP CA A 70 ASP C A 71 ASN N 1.0 -57.6 -17.6 PSI 91 91 A 70 ASP C A 71 ASN N A 71 ASN CA A 71 ASN C 1.0 -87.1 -47.1 PHI 92 92 A 71 ASN N A 71 ASN CA A 71 ASN C A 72 VAL N 1.0 -60.0 -20.0 PSI 93 93 A 71 ASN C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -84.7 -44.7 PHI 94 94 A 72 VAL N A 72 VAL CA A 72 VAL C A 73 LYS N 1.0 -74.1 -14.1 PSI 95 95 A 72 VAL C A 73 LYS N A 73 LYS CA A 73 LYS C 1.0 -83.3 -43.3 PHI 96 96 A 73 LYS N A 73 LYS CA A 73 LYS C A 74 ARG N 1.0 -62.8 -22.8 PSI 97 97 A 73 LYS C A 74 ARG N A 74 ARG CA A 74 ARG C 1.0 -85.0 -45.0 PHI 98 98 A 74 ARG N A 74 ARG CA A 74 ARG C A 75 ARG N 1.0 -62.6 -22.6 PSI 99 99 A 74 ARG C A 75 ARG N A 75 ARG CA A 75 ARG C 1.0 -83.1 -43.1 PHI 100 100 A 75 ARG N A 75 ARG CA A 75 ARG C A 76 GLN N 1.0 -61.1 -21.1 PSI 101 101 A 75 ARG C A 76 GLN N A 76 GLN CA A 76 GLN C 1.0 -84.8 -44.8 PHI 102 102 A 76 GLN N A 76 GLN CA A 76 GLN C A 77 GLU N 1.0 -59.2 -19.2 PSI 103 103 A 76 GLN C A 77 GLU N A 77 GLU CA A 77 GLU C 1.0 -88.0 -48.0 PHI 104 104 A 77 GLU N A 77 GLU CA A 77 GLU C A 78 LEU N 1.0 -61.8 -21.8 PSI 105 105 A 77 GLU C A 78 LEU N A 78 LEU CA A 78 LEU C 1.0 -83.2 -43.2 PHI 106 106 A 78 LEU N A 78 LEU CA A 78 LEU C A 79 ALA N 1.0 -63.7 -23.7 PSI 107 107 A 78 LEU C A 79 ALA N A 79 ALA CA A 79 ALA C 1.0 -83.2 -43.2 PHI 108 108 A 79 ALA N A 79 ALA CA A 79 ALA C A 80 ARG N 1.0 -61.1 -21.1 PSI 109 109 A 79 ALA C A 80 ARG N A 80 ARG CA A 80 ARG C 1.0 -83.4 -43.4 PHI 110 110 A 80 ARG N A 80 ARG CA A 80 ARG C A 81 GLN N 1.0 -61.6 -21.6 PSI 111 111 A 80 ARG C A 81 GLN N A 81 GLN CA A 81 GLN C 1.0 -85.8 -45.8 PHI 112 112 A 81 GLN N A 81 GLN CA A 81 GLN C A 82 CYS N 1.0 -56.6 -10.6 PSI 113 113 A 81 GLN C A 82 CYS N A 82 CYS CA A 82 CYS C 1.0 -124.3 -54.1 PHI 114 114 A 82 CYS N A 82 CYS CA A 82 CYS C A 83 GLY N 1.0 -63.1 26.9 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_2 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_2 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 13 PHE N A 13 PHE H 1.0 . . . 2 2 A 14 VAL N A 14 VAL H 1.0 . . . 3 3 A 15 ASP N A 15 ASP H 1.0 . . . 4 4 A 16 GLY N A 16 GLY H 1.0 . . . 5 5 A 17 GLU N A 17 GLU H 1.0 . . . 6 6 A 18 ARG N A 18 ARG H 1.0 . . . 7 7 A 19 VAL N A 19 VAL H 1.0 . . . 8 8 A 20 LEU N A 20 LEU H 1.0 . . . 9 9 A 21 CYS N A 21 CYS H 1.0 . . . 10 10 A 22 PHE N A 22 PHE H 1.0 . . . 11 11 A 23 HIS N A 23 HIS H 1.0 . . . 12 12 A 27 ILE N A 27 ILE H 1.0 . . . 13 13 A 28 TYR N A 28 TYR H 1.0 . . . 14 14 A 29 GLU N A 29 GLU H 1.0 . . . 15 15 A 30 ALA N A 30 ALA H 1.0 . . . 16 16 A 31 LYS N A 31 LYS H 1.0 . . . 17 17 A 32 VAL N A 32 VAL H 1.0 . . . 18 18 A 33 LEU N A 33 LEU H 1.0 . . . 19 19 A 34 LYS N A 34 LYS H 1.0 . . . 20 20 A 35 THR N A 35 THR H 1.0 . . . 21 21 A 36 LYS N A 36 LYS H 1.0 . . . 22 22 A 40 THR N A 40 THR H 1.0 . . . 23 23 A 43 GLU N A 43 GLU H 1.0 . . . 24 24 A 44 TYR N A 44 TYR H 1.0 . . . 25 25 A 45 TYR N A 45 TYR H 1.0 . . . 26 26 A 46 ILE N A 46 ILE H 1.0 . . . 27 27 A 47 HIS N A 47 HIS H 1.0 . . . 28 28 A 48 TYR N A 48 TYR H 1.0 . . . 29 29 A 49 ALA N A 49 ALA H 1.0 . . . 30 30 A 51 TRP N A 51 TRP H 1.0 . . . 31 31 A 54 ASN N A 54 ASN H 1.0 . . . 32 32 A 56 ASP N A 56 ASP H 1.0 . . . 33 33 A 59 VAL N A 59 VAL H 1.0 . . . 34 34 A 61 GLU N A 61 GLU H 1.0 . . . 35 35 A 63 ARG N A 63 ARG H 1.0 . . . 36 36 A 64 VAL N A 64 VAL H 1.0 . . . 37 37 A 65 LEU N A 65 LEU H 1.0 . . . 38 38 A 66 LYS N A 66 LYS H 1.0 . . . 39 39 A 67 TYR N A 67 TYR H 1.0 . . . 40 40 A 70 ASP N A 70 ASP H 1.0 . . . 41 41 A 71 ASN N A 71 ASN H 1.0 . . . 42 42 A 72 VAL N A 72 VAL H 1.0 . . . 43 43 A 73 LYS N A 73 LYS H 1.0 . . . 44 44 A 74 ARG N A 74 ARG H 1.0 . . . 45 45 A 75 ARG N A 75 ARG H 1.0 . . . 46 46 A 77 GLU N A 77 GLU H 1.0 . . . 47 47 A 78 LEU N A 78 LEU H 1.0 . . . 48 48 A 79 ALA N A 79 ALA H 1.0 . . . 49 49 A 80 ARG N A 80 ARG H 1.0 . . . stop_ save_ save_CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 13 PHE N A 13 PHE H 1.0 . . . 2 2 A 14 VAL N A 14 VAL H 1.0 . . . 3 3 A 15 ASP N A 15 ASP H 1.0 . . . 4 4 A 16 GLY N A 16 GLY H 1.0 . . . 5 5 A 17 GLU N A 17 GLU H 1.0 . . . 6 6 A 18 ARG N A 18 ARG H 1.0 . . . 7 7 A 19 VAL N A 19 VAL H 1.0 . . . 8 8 A 20 LEU N A 20 LEU H 1.0 . . . 9 9 A 21 CYS N A 21 CYS H 1.0 . . . 10 10 A 22 PHE N A 22 PHE H 1.0 . . . 11 11 A 23 HIS N A 23 HIS H 1.0 . . . 12 12 A 26 LEU N A 26 LEU H 1.0 . . . 13 13 A 29 GLU N A 29 GLU H 1.0 . . . 14 14 A 30 ALA N A 30 ALA H 1.0 . . . 15 15 A 31 LYS N A 31 LYS H 1.0 . . . 16 16 A 32 VAL N A 32 VAL H 1.0 . . . 17 17 A 33 LEU N A 33 LEU H 1.0 . . . 18 18 A 34 LYS N A 34 LYS H 1.0 . . . 19 19 A 35 THR N A 35 THR H 1.0 . . . 20 20 A 36 LYS N A 36 LYS H 1.0 . . . 21 21 A 38 ASP N A 38 ASP H 1.0 . . . 22 22 A 43 GLU N A 43 GLU H 1.0 . . . 23 23 A 44 TYR N A 44 TYR H 1.0 . . . 24 24 A 45 TYR N A 45 TYR H 1.0 . . . 25 25 A 46 ILE N A 46 ILE H 1.0 . . . 26 26 A 47 HIS N A 47 HIS H 1.0 . . . 27 27 A 48 TYR N A 48 TYR H 1.0 . . . 28 28 A 49 ALA N A 49 ALA H 1.0 . . . 29 29 A 51 TRP N A 51 TRP H 1.0 . . . 30 30 A 53 LYS N A 53 LYS H 1.0 . . . 31 31 A 54 ASN N A 54 ASN H 1.0 . . . 32 32 A 55 TRP N A 55 TRP H 1.0 . . . 33 33 A 56 ASP N A 56 ASP H 1.0 . . . 34 34 A 57 GLU N A 57 GLU H 1.0 . . . 35 35 A 58 TRP N A 58 TRP H 1.0 . . . 36 36 A 59 VAL N A 59 VAL H 1.0 . . . 37 37 A 61 GLU N A 61 GLU H 1.0 . . . 38 38 A 63 ARG N A 63 ARG H 1.0 . . . 39 39 A 64 VAL N A 64 VAL H 1.0 . . . 40 40 A 65 LEU N A 65 LEU H 1.0 . . . 41 41 A 66 LYS N A 66 LYS H 1.0 . . . 42 42 A 67 TYR N A 67 TYR H 1.0 . . . 43 43 A 69 ASP N A 69 ASP H 1.0 . . . 44 44 A 70 ASP N A 70 ASP H 1.0 . . . 45 45 A 71 ASN N A 71 ASN H 1.0 . . . 46 46 A 72 VAL N A 72 VAL H 1.0 . . . 47 47 A 73 LYS N A 73 LYS H 1.0 . . . 48 48 A 74 ARG N A 74 ARG H 1.0 . . . 49 49 A 75 ARG N A 75 ARG H 1.0 . . . 50 50 A 76 GLN N A 76 GLN H 1.0 . . . 51 51 A 77 GLU N A 77 GLU H 1.0 . . . 52 52 A 78 LEU N A 78 LEU H 1.0 . . . 53 53 A 79 ALA N A 79 ALA H 1.0 . . . 54 54 A 80 ARG N A 80 ARG H 1.0 . . . 55 55 A 81 GLN N A 81 GLN H 1.0 . . . stop_ save_