data_nef_c11549_2ru8 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 88 MET start . . 2 A 89 PHE middle . . 3 A 90 ALA middle . . 4 A 91 MET middle . . 5 A 92 TYR middle . . 6 A 93 PRO middle . false 7 A 94 ASP middle . . 8 A 95 TRP middle . . 9 A 96 GLN middle . . 10 A 97 PRO middle . false 11 A 98 ASP middle . . 12 A 99 ALA middle . . 13 A 100 ASP middle . . 14 A 101 PHE middle . . 15 A 102 ILE middle . . 16 A 103 ARG middle . . 17 A 104 LEU middle . . 18 A 105 ALA middle . . 19 A 106 ALA middle . . 20 A 107 LEU middle . . 21 A 108 TRP middle . . 22 A 109 GLY middle . false 23 A 110 VAL middle . . 24 A 111 ALA middle . . 25 A 112 LEU middle . . 26 A 113 ARG middle . . 27 A 114 GLU middle . . 28 A 115 PRO middle . false 29 A 116 VAL middle . . 30 A 117 THR middle . . 31 A 118 THR middle . . 32 A 119 GLU middle . . 33 A 120 GLU middle . . 34 A 121 LEU middle . . 35 A 122 ALA middle . . 36 A 123 SER middle . . 37 A 124 PHE middle . . 38 A 125 ILE middle . . 39 A 126 ALA middle . . 40 A 127 TYR middle . . 41 A 128 TRP middle . . 42 A 129 GLN middle . . 43 A 130 ALA middle . . 44 A 131 GLU middle . . 45 A 132 GLY middle . false 46 A 133 LYS middle . . 47 A 134 VAL middle . . 48 A 135 PHE middle . . 49 A 136 HIS middle . . 50 A 137 HIS middle . . 51 A 138 VAL middle . . 52 A 139 GLN middle . . 53 A 140 TRP middle . . 54 A 141 GLN middle . . 55 A 142 GLN middle . . 56 A 143 LYS middle . . 57 A 144 LEU middle . . 58 A 145 ALA middle . . 59 A 146 ARG middle . . 60 A 147 SER middle . . 61 A 148 LEU middle . . 62 A 149 GLN middle . . 63 A 150 ILE middle . . 64 A 151 GLY middle . false 65 A 152 ARG middle . . 66 A 153 ALA middle . . 67 A 154 SER middle . . 68 A 155 ASN middle . . 69 A 156 GLY middle . false 70 A 157 GLY middle . false 71 A 158 LEU middle . . 72 A 159 PRO middle . false 73 A 160 LYS middle . . 74 A 161 ARG middle . . 75 A 162 ASP middle . . 76 A 163 VAL middle . . 77 A 164 ASN middle . . 78 A 165 THR middle . . 79 A 166 VAL middle . . 80 A 167 SER middle . . 81 A 168 GLU middle . . 82 A 169 PRO middle . false 83 A 170 ASP middle . . 84 A 171 SER middle . . 85 A 172 GLN middle . . 86 A 173 ILE middle . . 87 A 174 PRO middle . false 88 A 175 PRO middle . false 89 A 176 GLY middle . false 90 A 177 PHE middle . . 91 A 178 ARG middle . . 92 A 179 GLY middle . false 93 A 180 HIS middle . . 94 A 181 HIS middle . . 95 A 182 HIS middle . . 96 A 183 HIS middle . . 97 A 184 HIS middle . . 98 A 185 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 88 MET HA H 1 3.463 0.007 A 88 MET HB2 H 1 1.561 0.015 A 88 MET HB3 H 1 1.389 0.008 A 88 MET HE% H 1 1.865 0.768 A 88 MET HG2 H 1 2.102 0.017 A 88 MET HG3 H 1 1.755 0.007 A 88 MET C C 13 174.375 0.000 A 88 MET CA C 13 55.879 0.029 A 88 MET CB C 13 35.765 0.112 A 88 MET CE C 13 17.019 0.075 A 88 MET CG C 13 30.843 0.036 A 89 PHE H H 1 8.216 0.006 A 89 PHE HA H 1 5.108 0.007 A 89 PHE HBx H 1 3.430 0.014 A 89 PHE HBy H 1 3.430 0.014 A 89 PHE HDx H 1 7.487 0.024 A 89 PHE HDy H 1 7.487 0.024 A 89 PHE HEx H 1 7.353 0.022 A 89 PHE HEy H 1 7.353 0.022 A 89 PHE HZ H 1 8.129 0.039 A 89 PHE C C 13 175.016 0.000 A 89 PHE CA C 13 55.928 0.134 A 89 PHE CB C 13 40.837 0.064 A 89 PHE CDx C 13 132.746 0.396 A 89 PHE CDy C 13 132.746 0.396 A 89 PHE CEx C 13 130.658 0.000 A 89 PHE CEy C 13 130.658 0.000 A 89 PHE CZ C 13 127.852 0.468 A 89 PHE N N 15 116.742 0.000 A 90 ALA H H 1 8.917 0.011 A 90 ALA HA H 1 5.166 0.016 A 90 ALA HB% H 1 1.509 0.019 A 90 ALA C C 13 177.664 0.000 A 90 ALA CA C 13 51.102 0.181 A 90 ALA CB C 13 19.375 0.242 A 90 ALA N N 15 126.045 0.000 A 91 MET H H 1 9.182 0.006 A 91 MET HA H 1 3.953 0.012 A 91 MET HB2 H 1 1.181 0.007 A 91 MET HB3 H 1 0.930 0.008 A 91 MET HE% H 1 -0.713 0.006 A 91 MET HGx H 1 1.930 0.017 A 91 MET HGy H 1 1.930 0.017 A 91 MET C C 13 173.215 0.000 A 91 MET CA C 13 54.340 0.213 A 91 MET CB C 13 29.193 0.259 A 91 MET CE C 13 12.347 0.645 A 91 MET CG C 13 31.988 0.000 A 91 MET N N 15 122.626 0.000 A 92 TYR H H 1 7.049 0.007 A 92 TYR HA H 1 5.139 0.009 A 92 TYR HB2 H 1 3.130 0.008 A 92 TYR HB3 H 1 2.980 0.022 A 92 TYR HDx H 1 7.426 0.012 A 92 TYR HDy H 1 7.426 0.012 A 92 TYR HEx H 1 6.418 0.020 A 92 TYR HEy H 1 6.418 0.020 A 92 TYR CA C 13 53.536 0.000 A 92 TYR CB C 13 38.308 0.039 A 92 TYR CDx C 13 133.425 0.098 A 92 TYR CDy C 13 133.425 0.098 A 92 TYR CEx C 13 117.320 0.067 A 92 TYR CEy C 13 117.320 0.067 A 92 TYR N N 15 119.564 0.000 A 93 PRO HA H 1 4.214 0.007 A 93 PRO HB2 H 1 1.977 0.001 A 93 PRO HB3 H 1 2.423 0.008 A 93 PRO HD2 H 1 3.863 0.038 A 93 PRO HD3 H 1 3.958 0.008 A 93 PRO HG2 H 1 2.216 0.030 A 93 PRO HG3 H 1 2.085 0.005 A 93 PRO C C 13 177.180 0.000 A 93 PRO CA C 13 65.958 0.089 A 93 PRO CB C 13 33.089 0.323 A 93 PRO CD C 13 51.089 0.235 A 93 PRO CG C 13 28.512 0.196 A 94 ASP H H 1 7.484 0.006 A 94 ASP HA H 1 4.759 0.045 A 94 ASP HB2 H 1 2.973 0.006 A 94 ASP HB3 H 1 2.626 0.028 A 94 ASP C C 13 174.606 0.000 A 94 ASP CA C 13 53.462 0.277 A 94 ASP CB C 13 41.050 0.232 A 94 ASP N N 15 112.233 0.000 A 95 TRP H H 1 7.103 0.007 A 95 TRP HA H 1 3.526 0.009 A 95 TRP HB2 H 1 2.920 0.010 A 95 TRP HB3 H 1 1.765 0.019 A 95 TRP HD1 H 1 7.335 0.034 A 95 TRP HE1 H 1 8.947 0.010 A 95 TRP HE3 H 1 7.261 0.014 A 95 TRP HH2 H 1 6.381 0.017 A 95 TRP HZ2 H 1 7.138 0.019 A 95 TRP HZ3 H 1 6.586 0.034 A 95 TRP C C 13 174.002 0.000 A 95 TRP CA C 13 61.011 0.087 A 95 TRP CB C 13 29.434 0.174 A 95 TRP CD1 C 13 126.220 0.122 A 95 TRP CE3 C 13 119.937 0.207 A 95 TRP CH2 C 13 120.336 0.542 A 95 TRP CZ2 C 13 112.722 0.447 A 95 TRP CZ3 C 13 118.776 0.892 A 95 TRP N N 15 124.798 0.000 A 95 TRP NE1 N 15 128.456 0.000 A 96 GLN H H 1 6.382 0.006 A 96 GLN HA H 1 4.154 0.004 A 96 GLN HB2 H 1 1.851 0.018 A 96 GLN HB3 H 1 1.396 0.007 A 96 GLN HE21 H 1 7.352 0.002 A 96 GLN HE22 H 1 6.608 0.002 A 96 GLN HG2 H 1 2.146 0.045 A 96 GLN HG3 H 1 0.953 0.018 A 96 GLN CA C 13 52.080 0.118 A 96 GLN CB C 13 32.074 0.042 A 96 GLN CG C 13 33.109 0.164 A 96 GLN N N 15 121.003 0.000 A 96 GLN NE2 N 15 111.950 0.000 A 97 PRO HA H 1 3.778 0.012 A 97 PRO HB2 H 1 1.741 0.007 A 97 PRO HB3 H 1 1.473 0.004 A 97 PRO HD2 H 1 3.216 0.007 A 97 PRO HD3 H 1 2.670 0.014 A 97 PRO HG2 H 1 1.411 0.001 A 97 PRO HG3 H 1 0.961 0.006 A 97 PRO C C 13 174.667 0.000 A 97 PRO CA C 13 60.935 0.071 A 97 PRO CB C 13 33.045 0.000 A 97 PRO CD C 13 49.573 0.045 A 97 PRO CG C 13 26.005 0.009 A 98 ASP H H 1 8.388 0.008 A 98 ASP HA H 1 4.463 0.019 A 98 ASP HB2 H 1 2.985 0.019 A 98 ASP HB3 H 1 2.759 0.002 A 98 ASP C C 13 177.692 0.000 A 98 ASP CA C 13 54.846 0.056 A 98 ASP CB C 13 42.032 0.026 A 98 ASP N N 15 119.554 0.000 A 99 ALA H H 1 8.999 0.006 A 99 ALA HA H 1 4.128 0.006 A 99 ALA HB% H 1 1.461 0.008 A 99 ALA C C 13 179.075 0.000 A 99 ALA CA C 13 55.061 0.393 A 99 ALA CB C 13 18.228 0.241 A 99 ALA N N 15 124.178 0.000 A 100 ASP H H 1 8.648 0.008 A 100 ASP HA H 1 4.836 0.016 A 100 ASP HBx H 1 2.794 0.017 A 100 ASP HBy H 1 2.794 0.017 A 100 ASP C C 13 175.598 0.000 A 100 ASP CA C 13 52.531 0.025 A 100 ASP CB C 13 39.449 0.189 A 100 ASP N N 15 115.279 0.000 A 101 PHE H H 1 7.568 0.007 A 101 PHE HA H 1 3.973 0.014 A 101 PHE HB2 H 1 3.809 0.013 A 101 PHE HB3 H 1 2.808 0.009 A 101 PHE HDx H 1 7.232 0.027 A 101 PHE HDy H 1 7.232 0.027 A 101 PHE HEx H 1 7.184 0.030 A 101 PHE HEy H 1 7.184 0.030 A 101 PHE C C 13 174.845 0.000 A 101 PHE CA C 13 62.145 0.123 A 101 PHE CB C 13 40.614 0.233 A 101 PHE CDx C 13 131.186 0.197 A 101 PHE CDy C 13 131.186 0.197 A 101 PHE CEx C 13 128.921 0.000 A 101 PHE CEy C 13 128.921 0.000 A 101 PHE N N 15 119.490 0.000 A 102 ILE H H 1 8.543 0.007 A 102 ILE HA H 1 3.312 0.012 A 102 ILE HB H 1 1.807 0.012 A 102 ILE HD1% H 1 0.684 0.012 A 102 ILE HG12 H 1 1.528 0.013 A 102 ILE HG13 H 1 1.272 0.012 A 102 ILE HG2% H 1 0.804 0.011 A 102 ILE C C 13 178.182 0.000 A 102 ILE CA C 13 64.818 0.174 A 102 ILE CB C 13 36.323 0.649 A 102 ILE CD1 C 13 11.711 0.342 A 102 ILE CG1 C 13 28.654 0.270 A 102 ILE CG2 C 13 17.104 0.043 A 102 ILE N N 15 116.281 0.000 A 103 ARG H H 1 7.404 0.006 A 103 ARG HA H 1 3.935 0.006 A 103 ARG HB2 H 1 1.918 0.004 A 103 ARG HB3 H 1 1.796 0.012 A 103 ARG HDx H 1 3.238 0.004 A 103 ARG HDy H 1 3.238 0.004 A 103 ARG HG2 H 1 1.573 0.031 A 103 ARG HG3 H 1 1.351 0.019 A 103 ARG C C 13 178.981 0.000 A 103 ARG CA C 13 59.060 0.315 A 103 ARG CB C 13 30.547 0.263 A 103 ARG CD C 13 43.294 0.024 A 103 ARG CG C 13 27.407 0.341 A 103 ARG N N 15 121.847 0.000 A 104 LEU H H 1 7.589 0.009 A 104 LEU HA H 1 3.208 0.016 A 104 LEU HB2 H 1 1.202 0.022 A 104 LEU HB3 H 1 0.280 0.012 A 104 LEU HD1% H 1 0.925 0.027 A 104 LEU HD2% H 1 0.632 0.013 A 104 LEU HG H 1 0.756 0.011 A 104 LEU C C 13 177.318 0.000 A 104 LEU CA C 13 57.213 0.135 A 104 LEU CB C 13 40.896 0.119 A 104 LEU CD1 C 13 25.309 0.506 A 104 LEU CD2 C 13 22.512 0.738 A 104 LEU CG C 13 28.611 0.224 A 104 LEU N N 15 121.274 0.000 A 105 ALA H H 1 8.225 0.006 A 105 ALA HA H 1 3.599 0.015 A 105 ALA HB% H 1 0.862 0.012 A 105 ALA C C 13 179.420 0.000 A 105 ALA CA C 13 54.900 0.424 A 105 ALA CB C 13 16.948 0.165 A 105 ALA N N 15 117.712 0.000 A 106 ALA H H 1 7.058 0.006 A 106 ALA HA H 1 3.836 0.014 A 106 ALA HB% H 1 1.350 0.039 A 106 ALA C C 13 182.351 0.000 A 106 ALA CA C 13 54.900 0.221 A 106 ALA CB C 13 17.836 0.330 A 106 ALA N N 15 118.649 0.000 A 107 LEU H H 1 7.470 0.007 A 107 LEU HA H 1 3.988 0.008 A 107 LEU HB2 H 1 1.542 0.012 A 107 LEU HB3 H 1 1.356 0.006 A 107 LEU HD1% H 1 0.739 0.009 A 107 LEU HD2% H 1 0.736 0.014 A 107 LEU HG H 1 1.584 0.004 A 107 LEU C C 13 179.345 0.000 A 107 LEU CA C 13 57.484 0.153 A 107 LEU CB C 13 40.855 0.082 A 107 LEU CD1 C 13 24.842 1.479 A 107 LEU CD2 C 13 23.233 0.202 A 107 LEU CG C 13 27.064 0.033 A 107 LEU N N 15 122.144 0.000 A 108 TRP H H 1 7.449 0.010 A 108 TRP HA H 1 4.927 0.012 A 108 TRP HB2 H 1 3.433 0.005 A 108 TRP HB3 H 1 3.290 0.016 A 108 TRP HD1 H 1 7.058 0.015 A 108 TRP HE1 H 1 10.287 0.018 A 108 TRP HE3 H 1 7.003 0.024 A 108 TRP HH2 H 1 5.894 0.011 A 108 TRP HZ2 H 1 7.388 0.008 A 108 TRP HZ3 H 1 6.674 0.011 A 108 TRP C C 13 176.082 0.000 A 108 TRP CA C 13 55.301 0.129 A 108 TRP CB C 13 28.264 0.092 A 108 TRP CD1 C 13 123.432 0.042 A 108 TRP CE3 C 13 123.486 0.029 A 108 TRP CH2 C 13 120.250 0.442 A 108 TRP CZ2 C 13 113.694 0.178 A 108 TRP CZ3 C 13 118.359 0.141 A 108 TRP N N 15 119.266 0.000 A 108 TRP NE1 N 15 128.273 0.000 A 109 GLY H H 1 7.799 0.005 A 109 GLY HA2 H 1 4.249 0.015 A 109 GLY HA3 H 1 3.713 0.006 A 109 GLY CA C 13 45.580 0.183 A 109 GLY N N 15 107.117 0.000 A 110 VAL H H 1 8.420 0.009 A 110 VAL HA H 1 4.018 0.005 A 110 VAL HB H 1 1.868 0.009 A 110 VAL HG1% H 1 0.760 0.008 A 110 VAL HG2% H 1 0.746 0.018 A 110 VAL C C 13 173.254 0.000 A 110 VAL CA C 13 61.765 0.212 A 110 VAL CB C 13 33.143 0.218 A 110 VAL CG1 C 13 20.851 0.000 A 110 VAL CG2 C 13 19.911 0.878 A 110 VAL N N 15 123.070 0.000 A 111 ALA H H 1 8.434 0.012 A 111 ALA HA H 1 4.215 0.012 A 111 ALA HB% H 1 1.230 0.009 A 111 ALA C C 13 176.019 0.000 A 111 ALA CA C 13 51.463 0.522 A 111 ALA CB C 13 18.237 0.194 A 111 ALA N N 15 131.038 0.000 A 112 LEU H H 1 8.077 0.020 A 112 LEU HA H 1 4.476 0.014 A 112 LEU HB2 H 1 1.716 0.010 A 112 LEU HB3 H 1 1.247 0.006 A 112 LEU HD1% H 1 0.776 0.013 A 112 LEU HD2% H 1 0.819 0.009 A 112 LEU HG H 1 1.478 0.021 A 112 LEU C C 13 176.558 0.000 A 112 LEU CA C 13 53.585 0.094 A 112 LEU CB C 13 44.386 0.279 A 112 LEU CD1 C 13 27.318 0.207 A 112 LEU CD2 C 13 23.144 0.157 A 112 LEU CG C 13 27.118 0.000 A 112 LEU N N 15 124.590 0.000 A 113 ARG H H 1 9.049 0.004 A 113 ARG HA H 1 4.243 0.017 A 113 ARG HBx H 1 1.715 0.000 A 113 ARG HBy H 1 1.715 0.000 A 113 ARG HDx H 1 3.152 0.018 A 113 ARG HDy H 1 3.152 0.018 A 113 ARG HGx H 1 1.593 0.008 A 113 ARG HGy H 1 1.593 0.008 A 113 ARG C C 13 175.472 0.000 A 113 ARG CA C 13 57.218 0.194 A 113 ARG CB C 13 31.476 0.000 A 113 ARG CD C 13 43.355 0.053 A 113 ARG CG C 13 27.486 0.374 A 113 ARG N N 15 120.700 0.000 A 114 GLU H H 1 7.325 0.008 A 114 GLU HA H 1 4.761 0.020 A 114 GLU HBx H 1 2.204 0.020 A 114 GLU HBy H 1 2.204 0.020 A 114 GLU HGx H 1 1.817 0.000 A 114 GLU HGy H 1 1.817 0.000 A 114 GLU CA C 13 54.200 0.121 A 114 GLU CB C 13 31.201 0.498 A 114 GLU N N 15 114.931 0.000 A 115 PRO HA H 1 4.355 0.016 A 115 PRO HB2 H 1 2.274 0.000 A 115 PRO HB3 H 1 1.903 0.002 A 115 PRO HD2 H 1 3.805 0.015 A 115 PRO HD3 H 1 3.630 0.015 A 115 PRO HGx H 1 2.022 0.020 A 115 PRO HGy H 1 2.022 0.020 A 115 PRO C C 13 176.272 0.000 A 115 PRO CA C 13 62.547 0.594 A 115 PRO CB C 13 32.970 0.189 A 115 PRO CD C 13 50.544 0.227 A 115 PRO CG C 13 28.526 0.232 A 116 VAL H H 1 8.305 0.009 A 116 VAL HA H 1 3.773 0.011 A 116 VAL HB H 1 1.874 0.010 A 116 VAL HG1% H 1 1.080 0.019 A 116 VAL HG2% H 1 0.925 0.012 A 116 VAL C C 13 176.081 0.000 A 116 VAL CA C 13 63.360 0.033 A 116 VAL CB C 13 32.357 0.227 A 116 VAL CG1 C 13 23.807 0.744 A 116 VAL CG2 C 13 21.423 0.638 A 116 VAL N N 15 121.433 0.000 A 117 THR H H 1 9.028 0.011 A 117 THR HA H 1 4.661 0.008 A 117 THR HB H 1 4.792 0.021 A 117 THR HG2% H 1 1.299 0.017 A 117 THR C C 13 175.933 0.000 A 117 THR CA C 13 60.630 0.057 A 117 THR CB C 13 71.688 0.175 A 117 THR CG2 C 13 22.104 0.065 A 117 THR N N 15 120.478 0.000 A 118 THR H H 1 8.872 0.008 A 118 THR HA H 1 3.933 0.006 A 118 THR HB H 1 4.123 0.009 A 118 THR HG2% H 1 1.303 0.005 A 118 THR C C 13 177.178 0.000 A 118 THR CA C 13 66.323 0.433 A 118 THR CB C 13 68.582 0.218 A 118 THR CG2 C 13 21.966 0.091 A 118 THR N N 15 116.676 0.000 A 119 GLU H H 1 8.761 0.005 A 119 GLU HA H 1 4.122 0.005 A 119 GLU HB2 H 1 2.082 0.012 A 119 GLU HB3 H 1 1.941 0.015 A 119 GLU HG2 H 1 2.382 0.028 A 119 GLU HG3 H 1 2.279 0.006 A 119 GLU C C 13 179.688 0.000 A 119 GLU CA C 13 60.337 0.342 A 119 GLU CB C 13 29.336 0.235 A 119 GLU CG C 13 36.845 0.219 A 119 GLU N N 15 121.283 0.000 A 120 GLU H H 1 8.040 0.007 A 120 GLU HA H 1 3.892 0.021 A 120 GLU HBx H 1 2.161 0.020 A 120 GLU HBy H 1 2.161 0.020 A 120 GLU C C 13 180.306 0.000 A 120 GLU CA C 13 58.800 0.401 A 120 GLU CB C 13 31.604 0.260 A 120 GLU CG C 13 37.726 0.000 A 120 GLU N N 15 120.835 0.000 A 121 LEU H H 1 8.286 0.007 A 121 LEU HA H 1 4.123 0.014 A 121 LEU HB2 H 1 2.005 0.009 A 121 LEU HB3 H 1 1.416 0.009 A 121 LEU HD1% H 1 0.954 0.014 A 121 LEU HD2% H 1 1.053 0.020 A 121 LEU HG H 1 1.804 0.087 A 121 LEU C C 13 177.830 0.000 A 121 LEU CA C 13 58.014 0.182 A 121 LEU CB C 13 42.002 0.156 A 121 LEU CD1 C 13 25.894 0.048 A 121 LEU CD2 C 13 24.006 0.548 A 121 LEU CG C 13 27.713 0.639 A 121 LEU N N 15 120.172 0.000 A 122 ALA H H 1 8.471 0.015 A 122 ALA HA H 1 4.136 0.019 A 122 ALA HB% H 1 1.540 0.008 A 122 ALA C C 13 181.502 0.000 A 122 ALA CA C 13 55.682 0.126 A 122 ALA CB C 13 18.129 0.173 A 122 ALA N N 15 119.795 0.000 A 123 SER H H 1 8.099 0.013 A 123 SER HA H 1 4.309 0.008 A 123 SER HBx H 1 4.022 0.014 A 123 SER HBy H 1 4.022 0.014 A 123 SER C C 13 176.711 0.000 A 123 SER CA C 13 61.784 0.186 A 123 SER CB C 13 63.106 0.284 A 123 SER N N 15 113.494 0.000 A 124 PHE H H 1 7.845 0.004 A 124 PHE HA H 1 4.473 0.013 A 124 PHE HB2 H 1 3.512 0.007 A 124 PHE HB3 H 1 3.337 0.013 A 124 PHE HDx H 1 7.348 0.012 A 124 PHE HDy H 1 7.348 0.012 A 124 PHE HEx H 1 7.255 0.002 A 124 PHE HEy H 1 7.255 0.002 A 124 PHE C C 13 176.740 0.000 A 124 PHE CA C 13 61.969 0.118 A 124 PHE CB C 13 40.272 0.420 A 124 PHE CDx C 13 129.576 0.182 A 124 PHE CDy C 13 129.576 0.182 A 124 PHE CEx C 13 130.284 0.000 A 124 PHE CEy C 13 130.284 0.000 A 124 PHE N N 15 125.315 0.000 A 125 ILE H H 1 8.907 0.007 A 125 ILE HA H 1 3.348 0.010 A 125 ILE HB H 1 1.880 0.010 A 125 ILE HD1% H 1 1.177 0.012 A 125 ILE HG12 H 1 2.221 0.013 A 125 ILE HG13 H 1 1.631 0.044 A 125 ILE HG2% H 1 0.715 0.012 A 125 ILE C C 13 177.674 0.000 A 125 ILE CA C 13 66.006 0.181 A 125 ILE CB C 13 39.404 0.182 A 125 ILE CD1 C 13 15.214 0.591 A 125 ILE CG1 C 13 30.699 0.111 A 125 ILE CG2 C 13 17.528 0.759 A 125 ILE N N 15 119.897 0.000 A 126 ALA H H 1 8.149 0.005 A 126 ALA HA H 1 4.063 0.012 A 126 ALA HB% H 1 1.489 0.006 A 126 ALA C C 13 181.148 0.000 A 126 ALA CA C 13 55.304 0.298 A 126 ALA CB C 13 18.332 0.065 A 126 ALA N N 15 119.793 0.000 A 127 TYR H H 1 7.750 0.011 A 127 TYR HA H 1 3.905 0.016 A 127 TYR HB2 H 1 3.013 0.008 A 127 TYR HB3 H 1 2.761 0.010 A 127 TYR HDx H 1 5.824 0.013 A 127 TYR HDy H 1 5.824 0.013 A 127 TYR HEx H 1 5.757 0.014 A 127 TYR HEy H 1 5.757 0.014 A 127 TYR C C 13 177.872 0.000 A 127 TYR CA C 13 61.499 0.372 A 127 TYR CB C 13 38.340 0.082 A 127 TYR CDx C 13 131.527 0.281 A 127 TYR CDy C 13 131.527 0.281 A 127 TYR CEx C 13 116.893 0.190 A 127 TYR CEy C 13 116.893 0.190 A 127 TYR N N 15 118.247 0.000 A 128 TRP H H 1 7.996 0.008 A 128 TRP HA H 1 4.150 0.016 A 128 TRP HB2 H 1 3.321 0.014 A 128 TRP HB3 H 1 2.410 0.014 A 128 TRP HD1 H 1 6.084 0.012 A 128 TRP HE1 H 1 12.187 0.010 A 128 TRP HE3 H 1 7.502 0.065 A 128 TRP HH2 H 1 7.164 0.048 A 128 TRP HZ2 H 1 7.872 0.001 A 128 TRP HZ3 H 1 7.687 0.009 A 128 TRP C C 13 180.602 0.000 A 128 TRP CA C 13 60.369 0.324 A 128 TRP CB C 13 29.659 0.129 A 128 TRP CD1 C 13 127.649 0.306 A 128 TRP CE3 C 13 118.894 0.000 A 128 TRP CH2 C 13 118.813 0.000 A 128 TRP CZ2 C 13 115.693 0.126 A 128 TRP CZ3 C 13 118.291 0.181 A 128 TRP N N 15 118.605 0.000 A 128 TRP NE1 N 15 131.751 0.000 A 129 GLN H H 1 9.361 0.007 A 129 GLN HA H 1 4.038 0.014 A 129 GLN HBx H 1 1.944 0.006 A 129 GLN HBy H 1 1.944 0.006 A 129 GLN HE21 H 1 7.242 0.007 A 129 GLN HE22 H 1 6.637 0.005 A 129 GLN HG2 H 1 2.380 0.012 A 129 GLN HG3 H 1 2.116 0.012 A 129 GLN C C 13 178.212 0.000 A 129 GLN CA C 13 59.666 0.053 A 129 GLN CB C 13 29.690 0.101 A 129 GLN CG C 13 34.216 0.319 A 129 GLN N N 15 124.166 0.000 A 129 GLN NE2 N 15 108.636 0.000 A 130 ALA H H 1 6.994 0.009 A 130 ALA HA H 1 4.066 0.006 A 130 ALA HB% H 1 1.361 0.007 A 130 ALA C C 13 179.529 0.000 A 130 ALA CA C 13 54.586 0.127 A 130 ALA CB C 13 18.238 0.148 A 130 ALA N N 15 120.667 0.000 A 131 GLU H H 1 7.430 0.006 A 131 GLU HA H 1 3.897 0.004 A 131 GLU HB2 H 1 2.138 0.008 A 131 GLU HB3 H 1 1.919 0.006 A 131 GLU HGx H 1 1.520 0.015 A 131 GLU HGy H 1 1.520 0.015 A 131 GLU C C 13 179.384 0.000 A 131 GLU CA C 13 57.957 0.248 A 131 GLU CB C 13 31.660 0.303 A 131 GLU CG C 13 35.738 0.082 A 131 GLU N N 15 115.912 0.000 A 132 GLY H H 1 7.584 0.006 A 132 GLY HAx H 1 3.949 0.045 A 132 GLY HAy H 1 3.949 0.045 A 132 GLY C C 13 174.065 0.000 A 132 GLY CA C 13 46.277 0.185 A 132 GLY N N 15 103.101 0.000 A 133 LYS H H 1 6.495 0.009 A 133 LYS HA H 1 4.284 0.054 A 133 LYS HBx H 1 1.746 0.006 A 133 LYS HBy H 1 1.746 0.006 A 133 LYS HDx H 1 1.757 0.009 A 133 LYS HDy H 1 1.757 0.009 A 133 LYS HEx H 1 3.061 0.011 A 133 LYS HEy H 1 3.061 0.011 A 133 LYS HGx H 1 1.469 0.008 A 133 LYS HGy H 1 1.469 0.008 A 133 LYS C C 13 174.604 0.000 A 133 LYS CA C 13 55.731 0.280 A 133 LYS CB C 13 34.637 0.107 A 133 LYS CD C 13 28.470 0.128 A 133 LYS CE C 13 42.319 0.117 A 133 LYS CG C 13 25.736 0.115 A 133 LYS N N 15 116.032 0.000 A 134 VAL H H 1 7.445 0.008 A 134 VAL HA H 1 4.228 0.019 A 134 VAL HB H 1 1.465 0.025 A 134 VAL HG1% H 1 0.724 0.013 A 134 VAL HG2% H 1 0.642 0.021 A 134 VAL C C 13 173.263 0.000 A 134 VAL CA C 13 60.584 0.168 A 134 VAL CB C 13 33.710 0.644 A 134 VAL CG1 C 13 19.745 0.146 A 134 VAL CG2 C 13 21.352 0.699 A 134 VAL N N 15 116.000 0.000 A 135 PHE H H 1 7.213 0.008 A 135 PHE HA H 1 4.490 0.006 A 135 PHE HB2 H 1 2.449 0.016 A 135 PHE HB3 H 1 -0.103 0.007 A 135 PHE HDx H 1 5.505 0.010 A 135 PHE HDy H 1 5.505 0.010 A 135 PHE HEx H 1 6.524 0.016 A 135 PHE HEy H 1 6.524 0.016 A 135 PHE HZ H 1 6.888 0.011 A 135 PHE C C 13 175.135 0.000 A 135 PHE CA C 13 56.204 0.142 A 135 PHE CB C 13 42.189 0.126 A 135 PHE CDx C 13 130.590 0.377 A 135 PHE CDy C 13 130.590 0.377 A 135 PHE CEx C 13 128.975 0.408 A 135 PHE CEy C 13 128.975 0.408 A 135 PHE CZ C 13 126.967 0.185 A 135 PHE N N 15 118.044 0.000 A 136 HIS H H 1 8.544 0.010 A 136 HIS HA H 1 4.676 0.024 A 136 HIS HB2 H 1 3.492 0.022 A 136 HIS HB3 H 1 3.043 0.011 A 136 HIS HD2 H 1 7.174 0.012 A 136 HIS C C 13 176.575 0.000 A 136 HIS CA C 13 56.740 0.097 A 136 HIS CB C 13 32.009 0.109 A 136 HIS CD2 C 13 119.355 0.215 A 136 HIS N N 15 117.412 0.000 A 137 HIS H H 1 9.751 0.011 A 137 HIS HA H 1 5.000 0.000 A 137 HIS HB2 H 1 3.887 0.005 A 137 HIS HB3 H 1 3.624 0.009 A 137 HIS HD2 H 1 7.401 0.014 A 137 HIS C C 13 178.433 0.000 A 137 HIS CA C 13 61.865 0.195 A 137 HIS CB C 13 33.093 0.273 A 137 HIS CD2 C 13 118.225 0.170 A 137 HIS N N 15 124.576 0.000 A 138 VAL H H 1 9.590 0.007 A 138 VAL HA H 1 3.795 0.009 A 138 VAL HB H 1 2.236 0.010 A 138 VAL HG1% H 1 1.231 0.017 A 138 VAL HG2% H 1 0.912 0.022 A 138 VAL C C 13 177.062 0.000 A 138 VAL CA C 13 67.627 0.359 A 138 VAL CB C 13 31.841 0.259 A 138 VAL CG1 C 13 23.179 0.120 A 138 VAL CG2 C 13 20.615 0.220 A 138 VAL N N 15 117.911 0.000 A 139 GLN H H 1 6.743 0.006 A 139 GLN HA H 1 3.856 0.020 A 139 GLN HBx H 1 1.294 0.012 A 139 GLN HBy H 1 1.294 0.012 A 139 GLN HE21 H 1 7.579 0.000 A 139 GLN HE22 H 1 6.845 0.008 A 139 GLN HGx H 1 2.129 0.021 A 139 GLN HGy H 1 2.129 0.021 A 139 GLN C C 13 179.371 0.000 A 139 GLN CA C 13 58.280 0.074 A 139 GLN CB C 13 28.560 0.249 A 139 GLN CG C 13 34.993 0.770 A 139 GLN N N 15 119.173 0.000 A 139 GLN NE2 N 15 112.882 0.000 A 140 TRP H H 1 8.409 0.009 A 140 TRP HA H 1 4.169 0.026 A 140 TRP HB2 H 1 3.306 0.017 A 140 TRP HB3 H 1 2.438 0.018 A 140 TRP HD1 H 1 5.813 0.013 A 140 TRP HE1 H 1 10.128 0.041 A 140 TRP HE3 H 1 7.620 0.072 A 140 TRP HH2 H 1 7.365 0.013 A 140 TRP HZ2 H 1 7.620 0.008 A 140 TRP HZ3 H 1 7.178 0.021 A 140 TRP C C 13 178.914 0.000 A 140 TRP CA C 13 59.970 0.077 A 140 TRP CB C 13 30.659 0.144 A 140 TRP CD1 C 13 128.196 0.293 A 140 TRP CE3 C 13 118.715 0.260 A 140 TRP CH2 C 13 123.236 0.207 A 140 TRP CZ2 C 13 114.227 0.351 A 140 TRP CZ3 C 13 120.526 0.269 A 140 TRP N N 15 120.115 0.000 A 140 TRP NE1 N 15 130.056 0.000 A 141 GLN H H 1 8.236 0.009 A 141 GLN HA H 1 4.160 0.016 A 141 GLN HBx H 1 2.683 0.020 A 141 GLN HBy H 1 2.683 0.020 A 141 GLN HE21 H 1 6.896 0.005 A 141 GLN HE22 H 1 5.423 0.014 A 141 GLN HGx H 1 2.758 0.039 A 141 GLN HGy H 1 2.758 0.039 A 141 GLN C C 13 177.640 0.000 A 141 GLN CA C 13 61.611 0.040 A 141 GLN CB C 13 31.944 0.161 A 141 GLN CG C 13 38.032 0.177 A 141 GLN N N 15 115.613 0.000 A 141 GLN NE2 N 15 106.571 0.000 A 142 GLN H H 1 8.010 0.006 A 142 GLN HA H 1 3.532 0.025 A 142 GLN HB2 H 1 1.640 0.006 A 142 GLN HB3 H 1 1.429 0.005 A 142 GLN HE21 H 1 6.367 0.001 A 142 GLN HG2 H 1 1.185 0.008 A 142 GLN HG3 H 1 0.434 0.010 A 142 GLN C C 13 179.085 0.000 A 142 GLN CA C 13 59.498 0.077 A 142 GLN CB C 13 27.340 0.263 A 142 GLN CG C 13 32.621 0.662 A 142 GLN N N 15 121.476 0.000 A 142 GLN NE2 N 15 107.323 0.000 A 143 LYS H H 1 8.159 0.004 A 143 LYS HA H 1 3.948 0.011 A 143 LYS HBx H 1 1.475 0.024 A 143 LYS HBy H 1 1.475 0.024 A 143 LYS HD2 H 1 0.591 0.012 A 143 LYS HD3 H 1 0.286 0.002 A 143 LYS HE2 H 1 1.373 0.008 A 143 LYS HE3 H 1 1.304 0.041 A 143 LYS HGx H 1 1.080 0.008 A 143 LYS HGy H 1 1.080 0.008 A 143 LYS C C 13 179.991 0.000 A 143 LYS CA C 13 59.723 0.027 A 143 LYS CB C 13 32.347 0.343 A 143 LYS CD C 13 28.549 0.466 A 143 LYS CE C 13 40.583 0.019 A 143 LYS CG C 13 24.622 0.050 A 143 LYS N N 15 119.988 0.000 A 144 LEU H H 1 8.496 0.010 A 144 LEU HA H 1 3.656 0.007 A 144 LEU HB2 H 1 2.023 0.013 A 144 LEU HB3 H 1 0.619 0.012 A 144 LEU HD1% H 1 0.198 0.012 A 144 LEU HD2% H 1 0.252 0.012 A 144 LEU HG H 1 1.251 0.006 A 144 LEU C C 13 177.986 0.000 A 144 LEU CA C 13 58.263 0.063 A 144 LEU CB C 13 40.525 0.244 A 144 LEU CD1 C 13 21.564 0.505 A 144 LEU CD2 C 13 26.304 0.728 A 144 LEU CG C 13 26.455 0.196 A 144 LEU N N 15 123.944 0.000 A 145 ALA H H 1 8.809 0.010 A 145 ALA HA H 1 4.132 0.008 A 145 ALA HB% H 1 1.719 0.011 A 145 ALA C C 13 178.537 0.000 A 145 ALA CA C 13 56.485 0.055 A 145 ALA CB C 13 17.429 0.738 A 145 ALA N N 15 120.991 0.000 A 146 ARG H H 1 7.949 0.008 A 146 ARG HA H 1 4.084 0.010 A 146 ARG HBx H 1 1.975 0.006 A 146 ARG HBy H 1 1.975 0.006 A 146 ARG HDx H 1 3.214 0.011 A 146 ARG HDy H 1 3.214 0.011 A 146 ARG HGx H 1 1.718 0.017 A 146 ARG HGy H 1 1.718 0.017 A 146 ARG C C 13 178.301 0.000 A 146 ARG CA C 13 59.120 0.128 A 146 ARG CB C 13 30.258 0.290 A 146 ARG CD C 13 43.090 0.227 A 146 ARG CG C 13 27.673 0.627 A 146 ARG N N 15 115.759 0.000 A 147 SER H H 1 8.303 0.004 A 147 SER HA H 1 4.317 0.007 A 147 SER HBx H 1 4.358 0.000 A 147 SER HBy H 1 4.358 0.000 A 147 SER C C 13 178.285 0.000 A 147 SER CA C 13 62.019 0.107 A 147 SER CB C 13 63.518 0.343 A 147 SER N N 15 114.739 0.000 A 148 LEU H H 1 8.582 0.007 A 148 LEU HA H 1 4.259 0.023 A 148 LEU HB2 H 1 2.043 0.014 A 148 LEU HB3 H 1 1.228 0.020 A 148 LEU HD1% H 1 0.926 0.011 A 148 LEU HD2% H 1 0.888 0.007 A 148 LEU HG H 1 1.727 0.004 A 148 LEU C C 13 178.319 0.000 A 148 LEU CA C 13 57.256 0.102 A 148 LEU CB C 13 42.441 0.195 A 148 LEU CD1 C 13 27.715 0.568 A 148 LEU CD2 C 13 23.279 0.047 A 148 LEU CG C 13 28.704 0.811 A 148 LEU N N 15 122.649 0.000 A 149 GLN H H 1 8.052 0.013 A 149 GLN HA H 1 3.905 0.007 A 149 GLN HBx H 1 2.135 0.007 A 149 GLN HBy H 1 2.135 0.007 A 149 GLN HGx H 1 2.418 0.025 A 149 GLN HGy H 1 2.418 0.025 A 149 GLN C C 13 178.979 0.000 A 149 GLN CA C 13 59.206 0.190 A 149 GLN CB C 13 29.016 0.218 A 149 GLN CG C 13 33.599 0.000 A 149 GLN N N 15 119.697 0.000 A 150 ILE H H 1 7.777 0.006 A 150 ILE HA H 1 3.877 0.022 A 150 ILE HB H 1 1.887 0.013 A 150 ILE HD1% H 1 0.881 0.009 A 150 ILE HG12 H 1 1.739 0.012 A 150 ILE HG13 H 1 1.253 0.007 A 150 ILE HG2% H 1 0.939 0.009 A 150 ILE C C 13 179.359 0.000 A 150 ILE CA C 13 63.827 0.425 A 150 ILE CB C 13 38.782 0.558 A 150 ILE CD1 C 13 13.217 0.088 A 150 ILE CG1 C 13 29.497 0.014 A 150 ILE CG2 C 13 17.278 0.125 A 150 ILE N N 15 117.002 0.000 A 151 GLY H H 1 8.682 0.005 A 151 GLY HAx H 1 4.073 0.002 A 151 GLY HAy H 1 4.073 0.002 A 151 GLY C C 13 176.570 0.000 A 151 GLY CA C 13 47.063 0.204 A 151 GLY N N 15 109.408 0.000 A 152 ARG H H 1 8.414 0.006 A 152 ARG HA H 1 4.397 0.022 A 152 ARG HBx H 1 1.789 0.008 A 152 ARG HBy H 1 1.789 0.008 A 152 ARG HDx H 1 3.106 0.013 A 152 ARG HDy H 1 3.106 0.013 A 152 ARG HGx H 1 1.517 0.031 A 152 ARG HGy H 1 1.517 0.031 A 152 ARG C C 13 178.269 0.000 A 152 ARG CA C 13 57.302 0.200 A 152 ARG CB C 13 30.746 0.129 A 152 ARG CD C 13 43.294 0.017 A 152 ARG CG C 13 27.003 0.000 A 152 ARG N N 15 117.882 0.000 A 153 ALA H H 1 7.460 0.009 A 153 ALA HA H 1 4.231 0.009 A 153 ALA HB% H 1 1.569 0.003 A 153 ALA C C 13 179.138 0.000 A 153 ALA CA C 13 54.417 0.152 A 153 ALA CB C 13 19.107 0.379 A 153 ALA N N 15 123.032 0.000 A 154 SER H H 1 8.160 0.005 A 154 SER HA H 1 4.334 0.027 A 154 SER HBx H 1 3.798 0.086 A 154 SER HBy H 1 3.798 0.086 A 154 SER C C 13 174.375 0.000 A 154 SER CA C 13 58.588 0.602 A 154 SER CB C 13 63.917 0.729 A 154 SER N N 15 113.056 0.000 A 155 ASN H H 1 8.146 0.002 A 155 ASN HA H 1 4.606 0.000 A 155 ASN HBx H 1 2.699 0.010 A 155 ASN HBy H 1 2.699 0.010 A 155 ASN C C 13 176.531 0.000 A 155 ASN CA C 13 52.689 0.028 A 155 ASN CB C 13 41.210 1.342 A 155 ASN N N 15 120.667 0.000 A 156 GLY H H 1 8.302 0.003 A 156 GLY HAx H 1 3.948 0.003 A 156 GLY HAy H 1 3.948 0.003 A 156 GLY C C 13 174.782 0.000 A 156 GLY CA C 13 46.268 0.165 A 156 GLY N N 15 108.774 0.000 A 157 GLY H H 1 8.179 0.007 A 157 GLY HA2 H 1 4.085 0.011 A 157 GLY HA3 H 1 3.826 0.017 A 157 GLY C C 13 173.675 0.000 A 157 GLY CA C 13 45.212 0.375 A 157 GLY N N 15 106.826 0.000 A 158 LEU H H 1 7.733 0.007 A 158 LEU HA H 1 4.733 0.012 A 158 LEU HB2 H 1 1.704 0.018 A 158 LEU HB3 H 1 1.521 0.016 A 158 LEU HDx% H 1 0.924 0.005 A 158 LEU HDy% H 1 0.924 0.005 A 158 LEU CA C 13 52.650 0.210 A 158 LEU CB C 13 41.649 0.399 A 158 LEU N N 15 122.404 0.000 A 159 PRO HA H 1 4.375 0.014 A 159 PRO HB2 H 1 2.488 0.014 A 159 PRO HB3 H 1 1.919 0.013 A 159 PRO HD2 H 1 3.763 0.038 A 159 PRO HD3 H 1 3.680 0.014 A 159 PRO HGx H 1 2.000 0.008 A 159 PRO HGy H 1 2.000 0.008 A 159 PRO C C 13 176.353 0.000 A 159 PRO CA C 13 62.959 0.168 A 159 PRO CB C 13 32.966 0.535 A 159 PRO CD C 13 50.651 0.125 A 159 PRO CG C 13 28.240 0.000 A 160 LYS H H 1 8.434 0.002 A 160 LYS HA H 1 4.224 0.024 A 160 LYS HBx H 1 1.785 0.045 A 160 LYS HBy H 1 1.785 0.045 A 160 LYS HDx H 1 1.666 0.024 A 160 LYS HDy H 1 1.666 0.024 A 160 LYS HEx H 1 2.979 0.009 A 160 LYS HEy H 1 2.979 0.009 A 160 LYS HGx H 1 1.446 0.019 A 160 LYS HGy H 1 1.446 0.019 A 160 LYS C C 13 176.398 0.000 A 160 LYS CA C 13 56.140 0.300 A 160 LYS CB C 13 33.211 0.135 A 160 LYS CD C 13 29.163 0.388 A 160 LYS CE C 13 42.177 0.107 A 160 LYS CG C 13 24.846 0.000 A 160 LYS N N 15 122.187 0.000 A 161 ARG H H 1 8.400 0.002 A 161 ARG HA H 1 4.352 0.011 A 161 ARG HBx H 1 1.820 0.024 A 161 ARG HBy H 1 1.820 0.024 A 161 ARG HDx H 1 3.233 0.000 A 161 ARG HDy H 1 3.233 0.000 A 161 ARG HGx H 1 1.565 0.017 A 161 ARG HGy H 1 1.565 0.017 A 161 ARG C C 13 175.721 0.000 A 161 ARG CA C 13 55.804 0.100 A 161 ARG CB C 13 31.667 0.316 A 161 ARG CD C 13 43.116 0.000 A 161 ARG CG C 13 27.335 0.174 A 161 ARG N N 15 123.277 0.000 A 162 ASP H H 1 8.489 0.003 A 162 ASP HA H 1 4.607 0.027 A 162 ASP HB2 H 1 2.581 0.129 A 162 ASP HB3 H 1 2.579 0.011 A 162 ASP C C 13 176.346 0.000 A 162 ASP CA C 13 54.241 0.058 A 162 ASP CB C 13 41.256 0.541 A 162 ASP N N 15 122.250 0.000 A 163 VAL H H 1 8.155 0.003 A 163 VAL HA H 1 4.101 0.050 A 163 VAL HB H 1 2.097 0.018 A 163 VAL HGx% H 1 0.916 0.005 A 163 VAL HGy% H 1 0.916 0.005 A 163 VAL C C 13 175.881 0.000 A 163 VAL CA C 13 62.391 0.183 A 163 VAL CB C 13 33.042 0.363 A 163 VAL N N 15 119.819 0.000 A 164 ASN H H 1 8.551 0.007 A 164 ASN HA H 1 4.805 0.000 A 164 ASN HBx H 1 2.750 0.018 A 164 ASN HBy H 1 2.750 0.018 A 164 ASN C C 13 175.358 0.000 A 164 ASN CA C 13 53.485 0.172 A 164 ASN CB C 13 39.085 0.260 A 164 ASN N N 15 121.502 0.000 A 165 THR H H 1 8.074 0.003 A 165 THR HA H 1 4.313 0.007 A 165 THR HB H 1 4.176 0.011 A 165 THR HG2% H 1 1.162 0.012 A 165 THR C C 13 174.391 0.000 A 165 THR CA C 13 62.140 0.115 A 165 THR CB C 13 69.778 0.140 A 165 THR CG2 C 13 21.694 0.353 A 165 THR N N 15 115.146 0.000 A 166 VAL H H 1 8.187 0.002 A 166 VAL HA H 1 4.128 0.020 A 166 VAL HB H 1 2.066 0.009 A 166 VAL HGx% H 1 0.904 0.005 A 166 VAL HGy% H 1 0.904 0.005 A 166 VAL C C 13 175.992 0.000 A 166 VAL CA C 13 60.222 4.115 A 166 VAL CB C 13 32.987 0.226 A 166 VAL N N 15 122.776 0.000 A 167 SER H H 1 8.391 0.008 A 167 SER HA H 1 4.443 0.005 A 167 SER HBx H 1 3.891 0.000 A 167 SER HBy H 1 3.891 0.000 A 167 SER C C 13 173.987 0.000 A 167 SER CA C 13 58.171 0.142 A 167 SER CB C 13 63.919 0.149 A 167 SER N N 15 120.051 0.000 A 168 GLU H H 1 8.427 0.004 A 168 GLU HA H 1 4.563 0.000 A 168 GLU HBx H 1 1.880 0.000 A 168 GLU HBy H 1 1.880 0.000 A 168 GLU HGx H 1 2.073 0.037 A 168 GLU HGy H 1 2.073 0.037 A 168 GLU CA C 13 54.636 0.198 A 168 GLU CB C 13 30.052 0.000 A 168 GLU CG C 13 32.886 0.000 A 168 GLU N N 15 123.974 0.000 A 169 PRO HA H 1 4.354 0.014 A 169 PRO HB2 H 1 2.268 0.003 A 169 PRO HB3 H 1 1.916 0.040 A 169 PRO HDx H 1 3.831 0.000 A 169 PRO HDy H 1 3.831 0.000 A 169 PRO HGx H 1 2.018 0.000 A 169 PRO HGy H 1 2.018 0.000 A 169 PRO C C 13 176.850 0.000 A 169 PRO CA C 13 63.488 0.065 A 169 PRO CB C 13 32.126 0.072 A 169 PRO CD C 13 50.687 0.000 A 169 PRO CG C 13 27.458 0.000 A 170 ASP H H 1 8.458 0.004 A 170 ASP HA H 1 4.555 0.018 A 170 ASP HBx H 1 2.656 0.013 A 170 ASP HBy H 1 2.656 0.013 A 170 ASP C C 13 176.487 0.000 A 170 ASP CA C 13 54.592 0.143 A 170 ASP CB C 13 41.134 0.320 A 170 ASP N N 15 120.082 0.000 A 171 SER H H 1 8.168 0.005 A 171 SER HA H 1 4.366 0.020 A 171 SER HBx H 1 3.862 0.013 A 171 SER HBy H 1 3.862 0.013 A 171 SER C C 13 174.615 0.000 A 171 SER CA C 13 58.634 0.193 A 171 SER CB C 13 63.809 0.153 A 171 SER N N 15 115.874 0.000 A 172 GLN H H 1 8.372 0.007 A 172 GLN HA H 1 4.297 0.000 A 172 GLN HB2 H 1 2.097 0.020 A 172 GLN HB3 H 1 1.949 0.014 A 172 GLN HGx H 1 2.314 0.013 A 172 GLN HGy H 1 2.314 0.013 A 172 GLN C C 13 175.632 0.000 A 172 GLN CA C 13 55.674 0.032 A 172 GLN CB C 13 29.492 0.122 A 172 GLN CG C 13 34.143 0.408 A 172 GLN N N 15 121.583 0.000 A 173 ILE H H 1 8.083 0.006 A 173 ILE HA H 1 4.204 0.000 A 173 ILE HB H 1 1.766 0.011 A 173 ILE HD1% H 1 0.774 0.017 A 173 ILE HG12 H 1 1.457 0.019 A 173 ILE HG13 H 1 1.090 0.009 A 173 ILE HG2% H 1 0.863 0.009 A 173 ILE CA C 13 58.639 0.266 A 173 ILE CB C 13 38.554 0.231 A 173 ILE CD1 C 13 12.618 0.711 A 173 ILE CG1 C 13 27.064 0.033 A 173 ILE CG2 C 13 17.167 0.096 A 173 ILE N N 15 123.785 0.000 A 175 PRO HA H 1 4.319 0.003 A 175 PRO HB2 H 1 2.301 0.017 A 175 PRO HB3 H 1 1.854 0.018 A 175 PRO HDx H 1 3.853 0.000 A 175 PRO HDy H 1 3.853 0.000 A 175 PRO HGx H 1 1.990 0.051 A 175 PRO HGy H 1 1.990 0.051 A 175 PRO C C 13 177.824 0.000 A 175 PRO CA C 13 63.511 0.065 A 175 PRO CB C 13 31.981 0.080 A 175 PRO CD C 13 50.560 0.000 A 175 PRO CG C 13 27.451 0.089 A 176 GLY H H 1 8.524 0.005 A 176 GLY HAx H 1 3.895 0.038 A 176 GLY HAy H 1 3.895 0.038 A 176 GLY C C 13 174.159 0.000 A 176 GLY CA C 13 45.257 0.155 A 176 GLY N N 15 108.967 0.000 A 177 PHE H H 1 8.015 0.010 A 177 PHE HA H 1 4.506 0.009 A 177 PHE HBx H 1 3.039 0.005 A 177 PHE HBy H 1 3.039 0.005 A 177 PHE HDx H 1 7.164 0.018 A 177 PHE HDy H 1 7.164 0.018 A 177 PHE C C 13 175.964 0.000 A 177 PHE CA C 13 58.194 0.087 A 177 PHE CB C 13 39.806 0.307 A 177 PHE CDx C 13 130.861 0.061 A 177 PHE CDy C 13 130.861 0.061 A 177 PHE N N 15 120.277 0.000 A 178 ARG H H 1 8.267 0.004 A 178 ARG HA H 1 4.233 0.013 A 178 ARG HBx H 1 1.801 0.000 A 178 ARG HBy H 1 1.801 0.000 A 178 ARG HDx H 1 3.138 0.000 A 178 ARG HDy H 1 3.138 0.000 A 178 ARG HGx H 1 1.505 0.046 A 178 ARG HGy H 1 1.505 0.046 A 178 ARG C C 13 176.265 0.000 A 178 ARG CA C 13 56.112 0.190 A 178 ARG CB C 13 30.962 0.266 A 178 ARG CD C 13 43.249 0.000 A 178 ARG CG C 13 27.077 0.000 A 178 ARG N N 15 123.268 0.000 A 179 GLY H H 1 7.733 0.021 A 179 GLY HAx H 1 3.795 0.000 A 179 GLY HAy H 1 3.795 0.000 A 179 GLY CA C 13 45.253 0.238 A 179 GLY N N 15 108.615 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 95 TRP HD1 A 128 TRP HE1 1.0 1.8 4.3 2 2 A 110 VAL HA A 111 ALA H 1.0 1.8 3.0 3 3 A 111 ALA H A 111 ALA HB% 1.0 1.8 4.1 4 4 A 111 ALA H A 110 VAL HG1% 1.0 1.8 4.4 5 5 A 108 TRP HE1 A 141 GLN HE21 1.0 1.8 3.8 6 6 A 95 TRP HE1 A 124 PHE HD% 1.0 1.8 5.5 7 7 A 95 TRP HE1 A 128 TRP HD1 1.0 1.8 4.3 8 8 A 95 TRP HE1 A 93 PRO HA 1.0 1.7 4.2 9 9 A 89 PHE HA A 90 ALA H 1.0 1.8 3.1 10 10 A 90 ALA H A 89 PHE HBx 1.0 1.8 4.5 11 10 A 90 ALA H A 89 PHE HBy 1.0 1.8 4.5 12 11 A 90 ALA H A 90 ALA HB% 1.0 1.8 4.1 13 12 A 90 ALA H A 134 VAL HG1% 1.0 1.8 4.9 14 13 A 124 PHE H A 123 SER HBx 1.0 1.9 4.9 15 13 A 124 PHE H A 123 SER HBy 1.0 1.9 4.9 16 14 A 124 PHE H A 124 PHE HB2 1.0 1.8 3.6 17 15 A 124 PHE H A 121 LEU HA 1.0 1.8 4.2 18 16 A 112 LEU H A 112 LEU HG 1.0 1.8 3.9 19 17 A 111 ALA HB% A 112 LEU H 1.0 1.8 4.4 20 18 A 112 LEU H A 111 ALA HA 1.0 1.8 3.1 21 19 A 95 TRP H A 95 TRP HB2 1.0 1.8 3.5 22 20 A 95 TRP H A 94 ASP H 1.0 1.8 3.7 23 21 A 95 TRP H A 125 ILE HD1% 1.0 1.8 4.9 24 22 A 95 TRP H A 96 GLN H 1.0 1.8 4.8 25 23 A 137 HIS H A 136 HIS HB2 1.0 1.8 4.8 26 24 A 137 HIS H A 137 HIS HB2 1.0 1.8 3.9 27 25 A 129 GLN H A 129 GLN HBx 1.0 1.8 4.1 28 25 A 129 GLN H A 129 GLN HBy 1.0 1.8 4.1 29 26 A 99 ALA H A 99 ALA HB% 1.0 1.8 4.6 30 27 A 167 SER HA A 168 GLU H 1.0 1.8 3.1 31 28 A 173 ILE H A 173 ILE HB 1.0 1.8 3.5 32 29 A 95 TRP HD1 A 95 TRP H 1.0 1.8 4.3 33 30 A 129 GLN H A 128 TRP HB2 1.0 1.8 4.3 34 31 A 129 GLN H A 130 ALA HB% 1.0 1.8 5.3 35 32 A 144 LEU H A 145 ALA HB% 1.0 1.8 5.5 36 33 A 144 LEU H A 144 LEU HG 1.0 1.8 4.2 37 34 A 144 LEU H A 144 LEU HD2% 1.0 1.8 6.0 38 35 A 144 LEU H A 145 ALA H 1.0 1.8 3.7 39 36 A 144 LEU H A 141 GLN HA 1.0 1.8 4.2 40 37 A 144 LEU H A 144 LEU HB2 1.0 1.8 3.6 41 38 A 168 GLU H A 168 GLU HGx 1.0 1.8 5.1 42 38 A 168 GLU H A 168 GLU HGy 1.0 1.8 5.1 43 39 A 110 VAL H A 110 VAL HB 1.0 1.8 3.4 44 40 A 110 VAL H A 106 ALA HA 1.0 1.8 3.7 45 41 A 173 ILE H A 172 GLN HA 1.0 1.8 3.1 46 42 A 173 ILE H A 173 ILE HG13 1.0 1.8 4.1 47 43 A 110 VAL H A 110 VAL HG2% 1.0 1.8 4.5 48 44 A 161 ARG H A 161 ARG HGx 1.0 1.7 5.2 49 44 A 161 ARG H A 161 ARG HGy 1.0 1.7 5.2 50 45 A 165 THR HA A 166 VAL H 1.0 1.8 3.1 51 46 A 152 ARG H A 153 ALA H 1.0 1.8 3.7 52 47 A 107 LEU H A 107 LEU HB2 1.0 1.8 3.1 53 48 A 90 ALA HB% A 91 MET H 1.0 1.8 4.7 54 49 A 91 MET H A 91 MET HB2 1.0 1.8 4.0 55 50 A 145 ALA HA A 148 LEU H 1.0 1.8 4.3 56 51 A 110 VAL HG1% A 148 LEU H 1.0 1.8 5.9 57 52 A 148 LEU H A 149 GLN H 1.0 1.9 3.9 58 53 A 148 LEU H A 148 LEU HB2 1.0 1.8 3.9 59 54 A 161 ARG HA A 162 ASP H 1.0 1.8 3.4 60 55 A 110 VAL H A 106 ALA HB% 1.0 1.8 5.7 61 56 A 110 VAL H A 108 TRP H 1.0 1.8 4.1 62 57 A 159 PRO HA A 160 LYS H 1.0 1.8 3.0 63 58 A 166 VAL H A 166 VAL HGx% 1.0 1.8 4.6 64 58 A 166 VAL H A 166 VAL HGy% 1.0 1.8 4.6 65 59 A 166 VAL H A 166 VAL HB 1.0 1.8 3.6 66 60 A 167 SER HA A 166 VAL H 1.0 1.8 5.3 67 61 A 158 LEU H A 158 LEU HB2 1.0 1.8 3.8 68 62 A 162 ASP H A 162 ASP HB2 1.0 1.8 4.0 69 63 A 162 ASP H A 161 ARG HBx 1.0 1.8 5.0 70 63 A 162 ASP H A 161 ARG HBy 1.0 1.8 5.0 71 64 A 160 LYS H A 160 LYS HBx 1.0 1.8 4.5 72 64 A 160 LYS H A 160 LYS HBy 1.0 1.8 4.5 73 65 A 158 LEU H A 157 GLY H 1.0 1.8 4.0 74 66 A 158 LEU H A 158 LEU HDx% 1.0 1.8 5.2 75 66 A 158 LEU H A 158 LEU HDy% 1.0 1.8 5.2 76 67 A 107 LEU H A 107 LEU HD1% 1.0 1.8 6.0 77 68 A 107 LEU H A 107 LEU HD2% 1.0 1.8 6.0 78 69 A 107 LEU H A 106 ALA H 1.0 1.8 3.4 79 70 A 107 LEU H A 104 LEU HA 1.0 1.8 4.1 80 71 A 107 LEU H A 104 LEU H 1.0 1.8 5.2 81 72 A 102 ILE H A 103 ARG H 1.0 1.8 3.4 82 73 A 104 LEU H A 103 ARG H 1.0 1.8 3.3 83 74 A 103 ARG H A 102 ILE HG2% 1.0 1.8 4.7 84 75 A 103 ARG H A 103 ARG HB2 1.0 1.8 3.0 85 76 A 117 THR HB A 119 GLU H 1.0 1.8 3.6 86 77 A 119 GLU H A 119 GLU HB2 1.0 1.8 3.8 87 78 A 171 SER HA A 172 GLN H 1.0 1.8 3.5 88 79 A 116 VAL H A 116 VAL HG1% 1.0 1.8 4.7 89 80 A 116 VAL H A 115 PRO HA 1.0 1.8 3.3 90 81 A 116 VAL H A 116 VAL HB 1.0 1.8 3.4 91 82 A 116 VAL H A 116 VAL HG2% 1.0 1.8 4.7 92 83 A 142 GLN H A 143 LYS H 1.0 1.8 3.7 93 84 A 142 GLN H A 139 GLN HA 1.0 1.8 4.1 94 85 A 142 GLN H A 141 GLN HBx 1.0 1.8 5.1 95 85 A 142 GLN H A 141 GLN HBy 1.0 1.8 5.1 96 86 A 142 GLN H A 142 GLN HB2 1.0 1.8 3.7 97 87 A 142 GLN H A 142 GLN HG2 1.0 1.8 4.0 98 88 A 104 LEU H A 105 ALA H 1.0 1.8 3.5 99 89 A 104 LEU H A 104 LEU HB2 1.0 1.8 3.8 100 90 A 103 ARG H A 103 ARG HG2 1.0 1.8 3.8 101 91 A 117 THR HB A 117 THR H 1.0 1.8 4.0 102 92 A 145 ALA H A 146 ARG H 1.0 1.8 3.8 103 93 A 145 ALA H A 144 LEU HB2 1.0 1.8 4.2 104 94 A 145 ALA H A 142 GLN HA 1.0 1.8 4.2 105 95 A 145 ALA HB% A 145 ALA H 1.0 1.8 4.1 106 96 A 144 LEU HG A 145 ALA H 1.0 1.8 5.2 107 97 A 119 GLU H A 119 GLU HG2 1.0 1.8 4.1 108 98 A 119 GLU H A 120 GLU H 1.0 1.8 3.9 109 99 A 119 GLU H A 118 THR HG2% 1.0 1.8 5.0 110 100 A 104 LEU H A 104 LEU HD2% 1.0 1.8 4.8 111 101 A 104 LEU H A 103 ARG HB2 1.0 1.8 3.8 112 102 A 104 LEU H A 104 LEU HD1% 1.0 1.8 4.8 113 103 A 129 GLN H A 130 ALA H 1.0 1.8 3.4 114 104 A 130 ALA H A 131 GLU HGx 1.0 1.8 5.3 115 104 A 130 ALA H A 131 GLU HGy 1.0 1.8 5.3 116 105 A 130 ALA HB% A 130 ALA H 1.0 1.8 3.9 117 106 A 130 ALA H A 129 GLN HBx 1.0 1.8 4.3 118 106 A 129 GLN HBy A 130 ALA H 1.0 1.8 4.3 119 107 A 96 GLN H A 95 TRP HA 1.0 1.8 3.0 120 108 A 96 GLN H A 97 PRO HD2 1.0 1.8 5.3 121 109 A 96 GLN H A 96 GLN HB2 1.0 1.8 3.8 122 110 A 117 THR H A 116 VAL HG2% 1.0 1.8 5.1 123 111 A 113 ARG H A 112 LEU HD2% 1.0 1.8 6.4 124 112 A 113 ARG H A 113 ARG HBx 1.0 1.8 4.8 125 112 A 113 ARG H A 113 ARG HBy 1.0 1.8 4.8 126 113 A 117 THR H A 116 VAL HG1% 1.0 1.8 5.1 127 114 A 117 THR H A 117 THR HG2% 1.0 1.8 4.6 128 115 A 169 PRO HA A 170 ASP H 1.0 1.8 3.1 129 116 A 170 ASP H A 170 ASP HBx 1.0 1.8 4.5 130 116 A 170 ASP H A 170 ASP HBy 1.0 1.8 4.5 131 117 A 140 TRP H A 139 GLN H 1.0 1.8 3.6 132 118 A 140 TRP H A 140 TRP HB2 1.0 1.8 3.7 133 119 A 121 LEU H A 121 LEU HB2 1.0 1.8 3.7 134 120 A 121 LEU H A 121 LEU HD1% 1.0 1.7 5.2 135 121 A 120 GLU H A 120 GLU HBx 1.0 1.8 5.2 136 121 A 120 GLU H A 120 GLU HBy 1.0 1.8 5.2 137 122 A 149 GLN H A 149 GLN HGx 1.0 1.8 4.5 138 122 A 149 GLN H A 149 GLN HGy 1.0 1.8 4.5 139 123 A 149 GLN H A 149 GLN HBx 1.0 1.8 4.6 140 123 A 149 GLN H A 149 GLN HBy 1.0 1.8 4.6 141 124 A 177 PHE H A 177 PHE HBx 1.0 1.8 4.6 142 124 A 177 PHE H A 177 PHE HBy 1.0 1.8 4.6 143 125 A 130 ALA H A 127 TYR HA 1.0 1.8 4.1 144 126 A 122 ALA HA A 125 ILE H 1.0 1.8 4.1 145 127 A 125 ILE H A 125 ILE HG12 1.0 1.8 3.7 146 128 A 125 ILE H A 126 ALA H 1.0 1.8 3.7 147 129 A 124 PHE H A 125 ILE H 1.0 1.8 3.8 148 130 A 125 ILE H A 125 ILE HB 1.0 1.8 3.4 149 131 A 125 ILE H A 125 ILE HG13 1.0 1.8 3.7 150 132 A 125 ILE HD1% A 125 ILE H 1.0 1.8 4.9 151 133 A 125 ILE H A 125 ILE HG2% 1.0 1.8 5.0 152 134 A 122 ALA H A 122 ALA HB% 1.0 1.8 4.1 153 135 A 122 ALA H A 123 SER H 1.0 1.8 3.6 154 136 A 122 ALA H A 118 THR HA 1.0 1.8 4.1 155 137 A 121 LEU HB2 A 122 ALA H 1.0 1.8 3.6 156 138 A 140 TRP H A 141 GLN H 1.0 1.8 3.5 157 139 A 98 ASP H A 98 ASP HB2 1.0 1.8 3.6 158 140 A 166 VAL HB A 167 SER H 1.0 1.8 4.1 159 141 A 140 TRP H A 139 GLN HBx 1.0 1.8 5.0 160 141 A 140 TRP H A 139 GLN HBy 1.0 1.8 5.0 161 142 A 167 SER H A 166 VAL HGx% 1.0 1.8 4.8 162 142 A 166 VAL HGy% A 167 SER H 1.0 1.8 4.8 163 143 A 98 ASP H A 97 PRO HB2 1.0 1.9 3.8 164 144 A 98 ASP H A 97 PRO HA 1.0 1.8 3.2 165 145 A 121 LEU H A 123 SER H 1.0 1.8 4.6 166 146 A 121 LEU H A 122 ALA H 1.0 1.8 3.5 167 147 A 120 GLU H A 121 LEU H 1.0 1.8 3.9 168 148 A 121 LEU H A 118 THR HA 1.0 1.8 4.2 169 149 A 144 LEU H A 143 LYS H 1.0 1.8 3.5 170 150 A 143 LYS H A 141 GLN H 1.0 1.8 4.3 171 151 A 143 LYS H A 143 LYS HGx 1.0 1.8 4.5 172 151 A 143 LYS H A 143 LYS HGy 1.0 1.8 4.5 173 152 A 162 ASP HA A 163 VAL H 1.0 1.8 3.2 174 153 A 126 ALA H A 126 ALA HB% 1.0 1.8 4.0 175 154 A 126 ALA H A 123 SER HA 1.0 1.8 4.0 176 155 A 126 ALA H A 125 ILE HB 1.0 1.8 3.3 177 156 A 163 VAL H A 166 VAL HGx% 1.0 1.8 4.4 178 156 A 166 VAL HGy% A 163 VAL H 1.0 1.8 4.4 179 157 A 126 ALA H A 125 ILE HG2% 1.0 1.8 4.8 180 158 A 163 VAL H A 163 VAL HB 1.0 1.8 3.9 181 159 A 101 PHE H A 101 PHE HB2 1.0 1.8 3.2 182 160 A 91 MET HA A 92 TYR H 1.0 1.8 3.2 183 161 A 110 VAL HG1% A 149 GLN H 1.0 1.8 5.0 184 162 A 149 GLN H A 146 ARG HA 1.0 1.8 4.0 185 163 A 101 PHE H A 100 ASP H 1.0 1.8 3.6 186 164 A 103 ARG H A 101 PHE H 1.0 1.8 4.3 187 165 A 101 PHE H A 99 ALA HA 1.0 1.8 4.1 188 166 A 101 PHE H A 102 ILE HB 1.0 1.8 5.5 189 167 A 103 ARG HB2 A 101 PHE H 1.0 1.8 5.5 190 168 A 99 ALA HB% A 101 PHE H 1.0 1.8 5.8 191 169 A 108 TRP H A 108 TRP HB2 1.0 1.8 3.5 192 170 A 106 ALA HB% A 108 TRP H 1.0 1.8 5.6 193 171 A 108 TRP H A 105 ALA HA 1.0 1.8 3.9 194 172 A 95 TRP HD1 A 92 TYR H 1.0 1.8 4.0 195 173 A 92 TYR H A 91 MET HGx 1.0 1.9 4.9 196 173 A 92 TYR H A 91 MET HGy 1.0 1.9 4.9 197 174 A 92 TYR H A 91 MET HB2 1.0 1.8 4.6 198 175 A 92 TYR H A 91 MET HE% 1.0 1.8 5.2 199 176 A 139 GLN H A 138 VAL H 1.0 1.8 4.0 200 177 A 139 GLN H A 136 HIS HB2 1.0 1.8 4.2 201 178 A 139 GLN H A 138 VAL HG1% 1.0 1.8 4.9 202 179 A 139 GLN H A 138 VAL HG2% 1.0 1.8 4.9 203 180 A 129 GLN H A 128 TRP H 1.0 1.9 3.8 204 181 A 128 TRP HB2 A 128 TRP H 1.0 1.8 3.9 205 182 A 128 TRP H A 127 TYR HB2 1.0 1.8 4.0 206 183 A 106 ALA H A 105 ALA HB% 1.0 1.8 4.6 207 184 A 106 ALA HB% A 106 ALA H 1.0 1.8 4.0 208 185 A 138 VAL H A 138 VAL HB 1.0 1.8 3.3 209 186 A 138 VAL H A 138 VAL HG1% 1.0 1.8 4.6 210 187 A 152 ARG H A 149 GLN HA 1.0 1.8 4.0 211 188 A 152 ARG H A 152 ARG HBx 1.0 1.8 4.6 212 188 A 152 ARG H A 152 ARG HBy 1.0 1.8 4.6 213 189 A 105 ALA H A 105 ALA HB% 1.0 1.8 3.9 214 190 A 126 ALA HB% A 127 TYR H 1.0 1.8 4.3 215 191 A 126 ALA H A 127 TYR H 1.0 1.8 3.6 216 192 A 128 TRP H A 127 TYR H 1.0 1.8 3.6 217 193 A 127 TYR H A 127 TYR HB2 1.0 1.8 3.3 218 194 A 134 VAL HA A 135 PHE H 1.0 1.8 3.4 219 195 A 90 ALA HB% A 135 PHE H 1.0 1.8 5.1 220 196 A 135 PHE H A 88 MET HE% 1.0 1.8 5.0 221 197 A 138 VAL H A 136 HIS HB2 1.0 1.8 4.3 222 198 A 137 HIS H A 138 VAL H 1.0 1.8 4.1 223 199 A 138 VAL H A 138 VAL HG2% 1.0 1.8 4.6 224 200 A 136 HIS H A 135 PHE HB2 1.0 1.8 4.0 225 201 A 136 HIS H A 139 GLN HGx 1.0 1.8 5.0 226 201 A 136 HIS H A 139 GLN HGy 1.0 1.8 5.0 227 202 A 136 HIS H A 136 HIS HB2 1.0 1.8 4.0 228 203 A 152 ARG H A 151 GLY H 1.0 1.8 3.9 229 204 A 152 ARG H A 148 LEU HA 1.0 1.8 4.2 230 205 A 152 ARG H A 152 ARG HGx 1.0 1.8 5.1 231 205 A 152 ARG H A 152 ARG HGy 1.0 1.8 5.1 232 206 A 103 ARG H A 105 ALA H 1.0 1.8 4.1 233 207 A 106 ALA H A 105 ALA H 1.0 1.8 3.5 234 208 A 105 ALA H A 102 ILE HA 1.0 1.8 4.2 235 209 A 105 ALA H A 104 LEU HB2 1.0 1.8 3.7 236 210 A 105 ALA H A 101 PHE HA 1.0 1.8 4.1 237 211 A 117 THR HB A 118 THR H 1.0 1.8 3.0 238 212 A 118 THR H A 117 THR HA 1.0 1.8 3.2 239 213 A 118 THR HG2% A 118 THR H 1.0 1.8 4.4 240 214 A 102 ILE H A 102 ILE HG13 1.0 1.8 3.6 241 215 A 135 PHE H A 89 PHE H 1.0 1.8 3.9 242 216 A 89 PHE H A 89 PHE HBx 1.0 1.8 4.2 243 216 A 89 PHE HBy A 89 PHE H 1.0 1.8 4.2 244 217 A 88 MET HE% A 89 PHE H 1.0 1.8 5.1 245 218 A 149 GLN H A 150 ILE H 1.0 1.8 4.0 246 219 A 150 ILE H A 149 GLN HGx 1.0 1.8 4.8 247 219 A 149 GLN HGy A 150 ILE H 1.0 1.8 4.8 248 220 A 150 ILE H A 150 ILE HB 1.0 1.8 3.6 249 221 A 150 ILE H A 150 ILE HG12 1.0 1.8 4.0 250 222 A 150 ILE H A 150 ILE HG13 1.0 1.8 4.0 251 223 A 150 ILE H A 150 ILE HG2% 1.0 1.8 5.1 252 224 A 150 ILE H A 150 ILE HD1% 1.0 1.8 5.4 253 225 A 117 THR H A 118 THR H 1.0 1.8 4.8 254 226 A 118 THR H A 118 THR HB 1.0 1.8 3.6 255 227 A 119 GLU H A 118 THR H 1.0 1.8 4.1 256 228 A 102 ILE H A 101 PHE H 1.0 1.8 3.8 257 229 A 102 ILE H A 102 ILE HB 1.0 1.8 3.2 258 230 A 102 ILE H A 102 ILE HG12 1.0 1.8 3.6 259 231 A 102 ILE H A 102 ILE HD1% 1.0 1.8 5.1 260 232 A 102 ILE H A 102 ILE HG2% 1.0 1.8 4.7 261 233 A 89 PHE H A 136 HIS HA 1.0 1.8 4.4 262 234 A 89 PHE H A 88 MET HB2 1.0 1.8 4.2 263 235 A 90 ALA H A 89 PHE H 1.0 1.8 4.0 264 236 A 150 ILE H A 149 GLN HBx 1.0 1.8 5.3 265 236 A 149 GLN HBy A 150 ILE H 1.0 1.8 5.3 266 237 A 133 LYS H A 133 LYS HBx 1.0 1.8 4.0 267 237 A 133 LYS H A 133 LYS HBy 1.0 1.8 4.0 268 238 A 102 ILE H A 100 ASP HA 1.0 1.8 5.1 269 239 A 141 GLN H A 141 GLN HBx 1.0 1.8 4.6 270 239 A 141 GLN HBy A 141 GLN H 1.0 1.8 4.6 271 240 A 141 GLN H A 141 GLN HGx 1.0 1.8 4.7 272 240 A 141 GLN H A 141 GLN HGy 1.0 1.8 4.7 273 241 A 170 ASP HA A 171 SER H 1.0 1.8 3.5 274 242 A 171 SER H A 171 SER HBx 1.0 1.8 5.0 275 242 A 171 SER H A 171 SER HBy 1.0 1.8 5.0 276 243 A 146 ARG H A 146 ARG HBx 1.0 1.8 4.2 277 243 A 146 ARG H A 146 ARG HBy 1.0 1.8 4.2 278 244 A 146 ARG H A 146 ARG HGx 1.0 1.8 4.3 279 244 A 146 ARG H A 146 ARG HGy 1.0 1.8 4.3 280 245 A 110 VAL HG2% A 146 ARG H 1.0 1.8 5.2 281 246 A 134 VAL H A 134 VAL HB 1.0 1.8 3.0 282 247 A 134 VAL H A 134 VAL HG2% 1.0 1.8 4.3 283 248 A 130 ALA H A 131 GLU H 1.0 1.8 3.4 284 249 A 134 VAL H A 133 LYS HBx 1.0 1.8 4.3 285 249 A 133 LYS HBy A 134 VAL H 1.0 1.8 4.3 286 250 A 131 GLU H A 132 GLY H 1.0 1.8 3.4 287 251 A 134 VAL HA A 134 VAL H 1.0 1.8 2.9 288 252 A 131 GLU H A 131 GLU HB2 1.0 1.8 3.6 289 253 A 130 ALA HB% A 131 GLU H 1.0 1.8 4.3 290 254 A 133 LYS H A 128 TRP HE3 1.0 1.8 4.8 291 255 A 133 LYS H A 131 GLU HB2 1.0 1.8 3.9 292 256 A 133 LYS H A 132 GLY H 1.0 1.8 3.6 293 257 A 133 LYS H A 133 LYS HGx 1.0 1.8 4.4 294 257 A 133 LYS H A 133 LYS HGy 1.0 1.8 4.4 295 258 A 99 ALA H A 100 ASP H 1.0 1.7 4.2 296 259 A 100 ASP H A 100 ASP HBx 1.0 1.8 4.5 297 259 A 100 ASP H A 100 ASP HBy 1.0 1.8 4.5 298 260 A 99 ALA HB% A 100 ASP H 1.0 1.8 4.5 299 261 A 141 GLN H A 138 VAL HA 1.0 1.8 4.2 300 262 A 140 TRP HB2 A 141 GLN H 1.0 1.8 4.1 301 263 A 142 GLN H A 141 GLN H 1.0 1.8 3.8 302 264 A 164 ASN HA A 165 THR H 1.0 1.8 2.6 303 265 A 146 ARG H A 143 LYS HA 1.0 1.8 4.2 304 266 A 145 ALA HA A 147 SER H 1.0 1.8 4.2 305 267 A 147 SER H A 146 ARG HBx 1.0 1.8 4.5 306 267 A 146 ARG HBy A 147 SER H 1.0 1.8 4.5 307 268 A 147 SER H A 146 ARG HGx 1.0 1.8 5.0 308 268 A 146 ARG HGy A 147 SER H 1.0 1.8 5.0 309 269 A 148 LEU H A 147 SER H 1.0 1.8 3.7 310 270 A 146 ARG H A 147 SER H 1.0 1.8 3.5 311 271 A 113 ARG H A 114 GLU H 1.0 1.8 4.0 312 272 A 114 GLU H A 113 ARG HBx 1.0 1.8 5.0 313 272 A 113 ARG HBy A 114 GLU H 1.0 1.8 5.0 314 273 A 114 GLU H A 114 GLU HBx 1.0 1.8 4.8 315 273 A 114 GLU H A 114 GLU HBy 1.0 1.8 4.8 316 274 A 122 ALA HB% A 123 SER H 1.0 1.8 4.4 317 275 A 124 PHE H A 123 SER H 1.0 1.8 3.7 318 276 A 123 SER H A 123 SER HBx 1.0 1.8 4.3 319 276 A 123 SER HBy A 123 SER H 1.0 1.8 4.3 320 277 A 95 TRP HD1 A 94 ASP H 1.0 1.8 3.5 321 278 A 94 ASP H A 94 ASP HB2 1.0 1.8 3.5 322 279 A 151 GLY H A 150 ILE HB 1.0 1.8 3.8 323 280 A 151 GLY H A 150 ILE H 1.0 1.8 3.7 324 281 A 151 GLY H A 150 ILE HA 1.0 1.8 3.4 325 282 A 151 GLY H A 150 ILE HG2% 1.0 1.8 5.0 326 283 A 151 GLY H A 148 LEU HA 1.0 1.8 4.1 327 284 A 129 GLN HE21 A 129 GLN HBx 1.0 1.8 5.2 328 284 A 129 GLN HBy A 129 GLN HE21 1.0 1.8 5.2 329 285 A 129 GLN HE22 A 129 GLN HBx 1.0 1.8 5.2 330 285 A 129 GLN HBy A 129 GLN HE22 1.0 1.8 5.2 331 286 A 110 VAL H A 109 GLY H 1.0 1.8 3.2 332 287 A 108 TRP H A 109 GLY H 1.0 1.8 3.3 333 288 A 106 ALA HA A 109 GLY H 1.0 1.8 4.0 334 289 A 157 GLY H A 156 GLY H 1.0 1.8 4.4 335 290 A 109 GLY H A 107 LEU HA 1.0 1.8 4.0 336 291 A 108 TRP HB2 A 109 GLY H 1.0 1.8 4.1 337 292 A 106 ALA HB% A 109 GLY H 1.0 1.8 5.9 338 293 A 141 GLN HE21 A 138 VAL HA 1.0 1.8 4.3 339 294 A 141 GLN HE21 A 104 LEU HD1% 1.0 1.8 6.0 340 295 A 138 VAL HA A 141 GLN HE22 1.0 1.8 4.3 341 296 A 132 GLY H A 132 GLY HAx 1.0 1.8 3.8 342 296 A 132 GLY H A 132 GLY HAy 1.0 1.8 3.8 343 297 A 132 GLY H A 128 TRP HZ3 1.0 1.8 5.2 344 298 A 132 GLY H A 131 GLU HB2 1.0 1.8 4.0 345 299 A 132 GLY H A 131 GLU HGx 1.0 1.8 4.9 346 299 A 131 GLU HGy A 132 GLY H 1.0 1.8 4.9 347 300 A 132 GLY H A 128 TRP HA 1.0 1.8 5.1 348 301 A 99 ALA H A 98 ASP HB2 1.0 1.8 4.4 349 302 A 91 MET H A 91 MET HGx 1.0 1.8 5.6 350 302 A 91 MET H A 91 MET HGy 1.0 1.8 5.6 351 303 A 91 MET H A 91 MET HE% 1.0 1.8 5.8 352 304 A 94 ASP H A 93 PRO HD2 1.0 1.8 4.4 353 305 A 103 ARG H A 100 ASP HBx 1.0 1.8 6.5 354 305 A 103 ARG H A 100 ASP HBy 1.0 1.8 6.5 355 306 A 114 GLU H A 114 GLU HGx 1.0 1.8 5.1 356 306 A 114 GLU H A 114 GLU HGy 1.0 1.8 5.1 357 307 A 121 LEU H A 121 LEU HD2% 1.0 1.7 5.2 358 308 A 122 ALA H A 121 LEU HD1% 1.0 1.8 5.3 359 309 A 122 ALA H A 121 LEU HD2% 1.0 1.8 5.3 360 310 A 135 PHE H A 89 PHE HBx 1.0 1.8 5.9 361 310 A 89 PHE HBy A 135 PHE H 1.0 1.8 5.9 362 311 A 139 GLN H A 139 GLN HGx 1.0 1.8 4.6 363 311 A 139 GLN H A 139 GLN HGy 1.0 1.8 4.6 364 312 A 139 GLN H A 138 VAL HB 1.0 1.8 3.6 365 313 A 144 LEU H A 144 LEU HD1% 1.0 1.8 6.0 366 314 A 150 ILE HD1% A 147 SER H 1.0 1.8 6.5 367 315 A 148 LEU H A 148 LEU HG 1.0 1.8 4.5 368 316 A 153 ALA H A 153 ALA HB% 1.0 1.8 4.2 369 317 A 161 ARG H A 160 LYS HA 1.0 1.8 3.5 370 318 A 161 ARG H A 161 ARG HBx 1.0 1.8 4.6 371 318 A 161 ARG H A 161 ARG HBy 1.0 1.8 4.6 372 319 A 163 VAL HB A 164 ASN H 1.0 1.8 4.8 373 320 A 164 ASN H A 163 VAL HGx% 1.0 1.8 5.5 374 320 A 164 ASN H A 163 VAL HGy% 1.0 1.8 5.5 375 321 A 165 THR H A 164 ASN HBx 1.0 1.8 6.0 376 321 A 165 THR H A 164 ASN HBy 1.0 1.8 6.0 377 322 A 166 VAL H A 167 SER H 1.0 1.8 4.4 378 323 A 166 VAL H A 165 THR HG2% 1.0 1.8 5.7 379 324 A 168 GLU H A 168 GLU HBx 1.0 1.8 4.8 380 324 A 168 GLU H A 168 GLU HBy 1.0 1.8 4.8 381 325 A 171 SER H A 170 ASP HBx 1.0 1.8 5.4 382 325 A 170 ASP HBy A 171 SER H 1.0 1.8 5.4 383 326 A 134 VAL HA A 89 PHE H 1.0 1.8 4.8 384 327 A 89 PHE H A 135 PHE HA 1.0 1.8 4.4 385 328 A 90 ALA H A 89 PHE HE% 1.0 1.8 6.5 386 329 A 90 ALA H A 134 VAL HA 1.0 1.8 4.8 387 330 A 91 MET H A 92 TYR H 1.0 1.8 5.0 388 331 A 91 MET H A 134 VAL HG2% 1.0 1.8 5.5 389 332 A 90 ALA H A 91 MET H 1.0 1.7 4.5 390 333 A 95 TRP H A 125 ILE HG2% 1.0 1.8 6.1 391 334 A 93 PRO HA A 95 TRP H 1.0 1.8 4.8 392 335 A 98 ASP H A 101 PHE H 1.0 1.8 4.5 393 336 A 101 PHE H A 101 PHE HE% 1.0 1.8 6.5 394 337 A 102 ILE H A 101 PHE HB2 1.0 1.8 4.4 395 338 A 106 ALA HB% A 104 LEU H 1.0 1.8 6.5 396 339 A 106 ALA H A 104 LEU HA 1.0 1.8 4.6 397 340 A 110 VAL HB A 109 GLY H 1.0 1.8 5.1 398 341 A 109 GLY H A 107 LEU HG 1.0 1.8 5.5 399 342 A 111 ALA H A 110 VAL HB 1.0 1.8 4.7 400 343 A 111 ALA H A 112 LEU H 1.0 1.8 4.6 401 344 A 113 ARG H A 112 LEU HD1% 1.0 1.8 6.4 402 345 A 121 LEU HB2 A 118 THR H 1.0 1.8 5.5 403 346 A 125 ILE H A 123 SER H 1.0 1.8 4.8 404 347 A 124 PHE H A 126 ALA HB% 1.0 1.8 5.8 405 348 A 124 PHE H A 125 ILE HB 1.0 1.8 5.1 406 349 A 125 ILE H A 124 PHE HE% 1.0 1.8 6.3 407 350 A 125 ILE H A 95 TRP HZ2 1.0 1.8 5.0 408 351 A 127 TYR H A 124 PHE HA 1.0 1.8 4.4 409 352 A 123 SER HA A 127 TYR H 1.0 1.8 4.7 410 353 A 129 GLN H A 127 TYR H 1.0 1.8 4.5 411 354 A 127 TYR H A 125 ILE HA 1.0 1.8 5.0 412 355 A 125 ILE HG2% A 128 TRP H 1.0 1.8 6.0 413 356 A 126 ALA HB% A 128 TRP H 1.0 1.8 5.7 414 357 A 128 TRP H A 127 TYR HD% 1.0 1.7 5.5 415 358 A 129 GLN H A 125 ILE HG2% 1.0 1.8 6.0 416 359 A 129 GLN H A 131 GLU H 1.0 1.8 4.5 417 360 A 129 GLN H A 126 ALA H 1.0 1.8 5.0 418 361 A 130 ALA H A 128 TRP H 1.0 1.8 4.8 419 362 A 133 LYS H A 134 VAL HG2% 1.0 1.8 5.7 420 363 A 133 LYS H A 134 VAL H 1.0 1.8 4.3 421 364 A 135 PHE H A 90 ALA HA 1.0 1.8 4.7 422 365 A 135 PHE H A 128 TRP HZ2 1.0 1.8 5.5 423 366 A 135 PHE H A 136 HIS H 1.0 1.8 4.6 424 367 A 137 HIS H A 89 PHE HE% 1.0 1.8 5.8 425 368 A 138 VAL H A 136 HIS HA 1.0 1.8 5.0 426 369 A 141 GLN H A 138 VAL H 1.0 1.8 4.9 427 370 A 138 VAL H A 137 HIS HD2 1.0 1.8 4.7 428 371 A 139 GLN H A 136 HIS H 1.0 1.8 4.4 429 372 A 139 GLN H A 141 GLN H 1.0 1.8 4.4 430 373 A 139 GLN HA A 140 TRP H 1.0 1.8 3.5 431 374 A 141 GLN HE21 A 141 GLN H 1.0 1.8 4.6 432 375 A 145 ALA H A 143 LYS HA 1.0 1.8 5.2 433 376 A 145 ALA H A 147 SER H 1.0 1.8 4.5 434 377 A 145 ALA H A 108 TRP HE3 1.0 1.8 4.3 435 378 A 146 ARG H A 146 ARG HDx 1.0 1.8 5.7 436 378 A 146 ARG H A 146 ARG HDy 1.0 1.8 5.7 437 379 A 146 ARG H A 147 SER HA 1.0 1.8 5.3 438 380 A 147 SER H A 144 LEU HA 1.0 1.8 4.5 439 381 A 146 ARG HA A 150 ILE H 1.0 1.8 4.5 440 382 A 150 ILE H A 147 SER HA 1.0 1.8 4.7 441 383 A 153 ALA HB% A 154 SER H 1.0 1.8 6.1 442 384 A 141 GLN HE21 A 141 GLN HBx 1.0 1.8 5.7 443 384 A 141 GLN HE21 A 141 GLN HBy 1.0 1.8 5.7 444 385 A 173 ILE H A 173 ILE HG12 1.0 1.8 4.1 445 386 A 95 TRP HE1 A 91 MET HE% 1.0 1.8 5.6 446 387 A 95 TRP HE1 A 125 ILE HG2% 1.0 1.8 5.9 447 388 A 108 TRP HE1 A 108 TRP HA 1.0 1.8 4.8 448 389 A 108 TRP HE1 A 107 LEU HG 1.0 1.8 5.5 449 390 A 106 ALA HB% A 105 ALA H 1.0 1.8 5.6 450 391 A 106 ALA H A 108 TRP HB2 1.0 1.8 5.2 451 392 A 110 VAL H A 106 ALA H 1.0 1.8 5.4 452 393 A 110 VAL H A 108 TRP HB2 1.0 1.8 4.5 453 394 A 127 TYR H A 129 GLN HBx 1.0 1.8 6.5 454 394 A 129 GLN HBy A 127 TYR H 1.0 1.8 6.5 455 395 A 128 TRP H A 129 GLN HBx 1.0 1.8 5.9 456 395 A 129 GLN HBy A 128 TRP H 1.0 1.8 5.9 457 396 A 129 GLN H A 126 ALA HB% 1.0 1.8 6.4 458 397 A 129 GLN H A 131 GLU HGx 1.0 1.8 6.5 459 397 A 129 GLN H A 131 GLU HGy 1.0 1.8 6.5 460 398 A 135 PHE H A 139 GLN HGx 1.0 1.8 6.5 461 398 A 135 PHE H A 139 GLN HGy 1.0 1.8 6.5 462 399 A 136 HIS H A 139 GLN HBx 1.0 1.8 5.4 463 399 A 139 GLN HBy A 136 HIS H 1.0 1.8 5.4 464 400 A 141 GLN HE21 A 104 LEU HD2% 1.0 1.8 6.0 465 401 A 94 ASP H A 125 ILE HD1% 1.0 1.8 6.3 466 402 A 101 PHE H A 98 ASP HA 1.0 1.8 4.8 467 403 A 120 GLU H A 121 LEU HB2 1.0 1.8 4.8 468 404 A 124 PHE H A 122 ALA H 1.0 1.8 4.6 469 405 A 137 HIS H A 89 PHE HD% 1.0 1.8 5.9 470 406 A 137 HIS H A 136 HIS HD2 1.0 1.8 5.5 471 407 A 141 GLN H A 138 VAL HG1% 1.0 1.8 6.5 472 408 A 141 GLN H A 138 VAL HG2% 1.0 1.8 6.5 473 409 A 143 LYS HA A 147 SER H 1.0 1.8 4.4 474 410 A 110 VAL HA A 110 VAL HG2% 1.0 1.8 4.3 475 411 A 149 GLN HA A 149 GLN HGx 1.0 1.8 4.6 476 411 A 149 GLN HGy A 149 GLN HA 1.0 1.8 4.6 477 412 A 120 GLU HA A 123 SER HBx 1.0 1.8 4.4 478 412 A 123 SER HBy A 120 GLU HA 1.0 1.8 4.4 479 413 A 131 GLU HA A 132 GLY HAx 1.0 1.8 5.5 480 413 A 132 GLY HAy A 131 GLU HA 1.0 1.8 5.5 481 414 A 148 LEU HA A 147 SER HBx 1.0 1.7 5.2 482 414 A 148 LEU HA A 147 SER HBy 1.0 1.7 5.2 483 415 A 146 ARG HBx A 146 ARG HDx 1.0 1.8 4.6 484 415 A 146 ARG HBy A 146 ARG HDx 1.0 1.8 4.6 485 415 A 146 ARG HDy A 146 ARG HBx 1.0 1.8 4.6 486 415 A 146 ARG HBy A 146 ARG HDy 1.0 1.8 4.6 487 416 A 161 ARG HBx A 161 ARG HDx 1.0 1.8 4.6 488 416 A 161 ARG HBy A 161 ARG HDx 1.0 1.8 4.6 489 416 A 161 ARG HDy A 161 ARG HBx 1.0 1.8 4.6 490 416 A 161 ARG HBy A 161 ARG HDy 1.0 1.8 4.6 491 417 A 160 LYS HDx A 160 LYS HGx 1.0 1.8 3.9 492 417 A 160 LYS HDy A 160 LYS HGx 1.0 1.8 3.9 493 417 A 160 LYS HGy A 160 LYS HDx 1.0 1.8 3.9 494 417 A 160 LYS HGy A 160 LYS HDy 1.0 1.8 3.9 495 418 A 121 LEU HA A 121 LEU HD2% 1.0 1.8 5.1 496 419 A 148 LEU HA A 148 LEU HD2% 1.0 1.8 5.0 497 420 A 104 LEU HA A 104 LEU HD2% 1.0 1.8 5.7 498 421 A 145 ALA HB% A 110 VAL HG2% 1.0 1.8 4.4 499 422 A 110 VAL HG1% A 105 ALA HB% 1.0 1.8 4.5 500 423 A 173 ILE HG2% A 173 ILE HD1% 1.0 1.8 3.8 501 424 A 150 ILE HG2% A 150 ILE HD1% 1.0 1.8 4.0 502 425 A 102 ILE HG2% A 102 ILE HD1% 1.0 1.8 3.9 503 426 A 134 VAL HG1% A 88 MET HE% 1.0 1.8 5.2 504 427 A 88 MET HE% A 88 MET HA 1.0 1.8 6.1 505 428 A 90 ALA HB% A 134 VAL HG2% 1.0 1.8 4.8 506 429 A 93 PRO HA A 125 ILE HG2% 1.0 1.8 4.9 507 430 A 145 ALA HB% A 142 GLN HA 1.0 1.8 5.2 508 431 A 96 GLN HA A 97 PRO HD2 1.0 1.8 3.9 509 432 A 121 LEU HA A 121 LEU HD1% 1.0 1.8 5.1 510 433 A 97 PRO HD2 A 96 GLN HB2 1.0 1.8 5.2 511 434 A 102 ILE HG2% A 102 ILE HA 1.0 1.8 5.0 512 435 A 102 ILE HA A 102 ILE HD1% 1.0 1.8 4.9 513 436 A 102 ILE HB A 102 ILE HD1% 1.0 1.8 4.9 514 437 A 102 ILE HG2% A 102 ILE HG13 1.0 1.8 5.0 515 438 A 102 ILE HG2% A 102 ILE HG12 1.0 1.8 5.0 516 439 A 104 LEU HA A 104 LEU HG 1.0 1.8 4.2 517 440 A 104 LEU HA A 104 LEU HD1% 1.0 1.8 5.7 518 441 A 104 LEU HA A 107 LEU HB2 1.0 1.8 4.9 519 442 A 104 LEU HB2 A 104 LEU HD1% 1.0 1.8 5.1 520 443 A 104 LEU HB2 A 101 PHE HA 1.0 1.8 5.4 521 444 A 101 PHE HA A 104 LEU HD1% 1.0 1.8 6.5 522 445 A 134 VAL HG1% A 134 VAL HA 1.0 1.8 5.0 523 446 A 89 PHE HA A 134 VAL HG1% 1.0 1.8 5.4 524 447 A 104 LEU HB2 A 104 LEU HD2% 1.0 1.8 5.1 525 448 A 101 PHE HA A 104 LEU HD2% 1.0 1.8 6.5 526 449 A 105 ALA HB% A 102 ILE HA 1.0 1.8 5.0 527 450 A 110 VAL HB A 105 ALA HB% 1.0 1.8 4.8 528 451 A 107 LEU HA A 107 LEU HD2% 1.0 1.8 4.8 529 452 A 110 VAL HG1% A 149 GLN HGx 1.0 1.8 6.0 530 452 A 110 VAL HG1% A 149 GLN HGy 1.0 1.8 6.0 531 453 A 110 VAL HG2% A 149 GLN HGx 1.0 1.8 6.4 532 453 A 110 VAL HG2% A 149 GLN HGy 1.0 1.8 6.4 533 454 A 110 VAL HG1% A 149 GLN HBx 1.0 1.8 5.1 534 454 A 110 VAL HG1% A 149 GLN HBy 1.0 1.8 5.1 535 455 A 110 VAL HG2% A 149 GLN HBx 1.0 1.8 5.6 536 455 A 110 VAL HG2% A 149 GLN HBy 1.0 1.8 5.6 537 456 A 148 LEU HB2 A 112 LEU HD2% 1.0 1.8 6.9 538 457 A 112 LEU HD1% A 148 LEU HB2 1.0 1.8 6.9 539 458 A 114 GLU HA A 115 PRO HD2 1.0 1.8 3.8 540 459 A 117 THR HG2% A 117 THR HA 1.0 1.8 4.7 541 460 A 117 THR HG2% A 116 VAL HA 1.0 1.8 5.4 542 461 A 118 THR HG2% A 118 THR HA 1.0 1.8 4.8 543 462 A 119 GLU HA A 119 GLU HG2 1.0 1.8 4.2 544 463 A 122 ALA HB% A 119 GLU HA 1.0 1.8 4.9 545 464 A 121 LEU HB2 A 122 ALA HB% 1.0 1.8 5.5 546 465 A 121 LEU HB2 A 118 THR HA 1.0 1.8 5.0 547 466 A 125 ILE HD1% A 121 LEU HG 1.0 1.8 6.1 548 467 A 122 ALA HA A 125 ILE HB 1.0 1.8 3.8 549 468 A 125 ILE HD1% A 122 ALA HA 1.0 1.8 5.0 550 469 A 126 ALA HB% A 123 SER HA 1.0 1.8 4.7 551 470 A 125 ILE HD1% A 125 ILE HA 1.0 1.8 6.0 552 471 A 125 ILE HD1% A 125 ILE HB 1.0 1.8 5.0 553 472 A 125 ILE HG2% A 126 ALA HB% 1.0 1.8 5.3 554 473 A 128 TRP HA A 127 TYR HD% 1.0 1.8 5.4 555 474 A 130 ALA HB% A 129 GLN HBx 1.0 1.8 5.2 556 474 A 129 GLN HBy A 130 ALA HB% 1.0 1.8 5.2 557 475 A 126 ALA HA A 129 GLN HBx 1.0 1.8 5.0 558 475 A 129 GLN HBy A 126 ALA HA 1.0 1.8 5.0 559 476 A 131 GLU HA A 131 GLU HGx 1.0 1.8 4.9 560 476 A 131 GLU HGy A 131 GLU HA 1.0 1.8 4.9 561 477 A 133 LYS HA A 133 LYS HDx 1.0 1.8 5.1 562 477 A 133 LYS HA A 133 LYS HDy 1.0 1.8 5.1 563 478 A 134 VAL HG2% A 90 ALA HA 1.0 1.8 6.2 564 479 A 138 VAL HA A 138 VAL HG1% 1.0 1.8 5.0 565 480 A 138 VAL HA A 138 VAL HG2% 1.0 1.8 5.0 566 481 A 143 LYS HA A 143 LYS HGx 1.0 1.8 5.2 567 481 A 143 LYS HGy A 143 LYS HA 1.0 1.8 5.2 568 482 A 144 LEU HG A 148 LEU HG 1.0 1.8 4.9 569 483 A 146 ARG HA A 146 ARG HDx 1.0 1.8 4.9 570 483 A 146 ARG HA A 146 ARG HDy 1.0 1.8 4.9 571 484 A 148 LEU HA A 148 LEU HD1% 1.0 1.8 5.0 572 485 A 150 ILE HD1% A 150 ILE HA 1.0 1.8 5.2 573 486 A 150 ILE HG2% A 150 ILE HA 1.0 1.8 5.0 574 487 A 150 ILE HD1% A 147 SER HA 1.0 1.8 5.3 575 488 A 150 ILE HB A 150 ILE HD1% 1.0 1.8 4.9 576 489 A 152 ARG HA A 152 ARG HGx 1.0 1.8 5.2 577 489 A 152 ARG HGy A 152 ARG HA 1.0 1.8 5.2 578 490 A 158 LEU HDy% A 158 LEU HB2 1.0 1.8 5.1 579 490 A 158 LEU HB2 A 158 LEU HDx% 1.0 1.8 5.1 580 491 A 178 ARG HA A 178 ARG HGx 1.0 1.8 4.7 581 491 A 178 ARG HA A 178 ARG HGy 1.0 1.8 4.7 582 492 A 134 VAL HG1% A 88 MET HA 1.0 1.8 5.6 583 493 A 136 HIS HA A 88 MET HA 1.0 1.8 4.2 584 494 A 131 GLU H A 131 GLU HGx 1.0 1.8 5.3 585 494 A 131 GLU HGy A 131 GLU H 1.0 1.8 5.3 586 495 A 135 PHE HA A 88 MET HB2 1.0 1.7 5.2 587 496 A 88 MET HE% A 135 PHE HA 1.0 1.8 5.5 588 497 A 91 MET HA A 91 MET HE% 1.0 1.8 5.2 589 498 A 91 MET HE% A 91 MET HB2 1.0 1.8 6.0 590 499 A 107 LEU H A 107 LEU HG 1.0 1.8 4.2 591 500 A 103 ARG H A 104 LEU HB2 1.0 1.8 5.5 592 501 A 104 LEU HB2 A 108 TRP HE3 1.0 1.8 5.3 593 502 A 108 TRP HE3 A 104 LEU HD1% 1.0 1.8 6.5 594 503 A 108 TRP HE3 A 104 LEU HD2% 1.0 1.8 6.5 595 504 A 107 LEU HA A 107 LEU HD1% 1.0 1.8 4.8 596 505 A 111 ALA HB% A 110 VAL H 1.0 1.8 5.0 597 506 A 101 PHE HD% A 121 LEU HD2% 1.0 1.8 5.3 598 507 A 128 TRP HA A 131 GLU HGx 1.0 1.8 5.4 599 507 A 131 GLU HGy A 128 TRP HA 1.0 1.8 5.4 600 508 A 134 VAL H A 133 LYS HGx 1.0 1.8 6.3 601 508 A 134 VAL H A 133 LYS HGy 1.0 1.8 6.3 602 509 A 134 VAL HG1% A 134 VAL H 1.0 1.8 5.5 603 510 A 91 MET HA A 92 TYR HD% 1.0 1.8 5.4 604 511 A 103 ARG H A 102 ILE HD1% 1.0 1.8 5.7 605 512 A 102 ILE HD1% A 101 PHE HD% 1.0 1.8 6.1 606 513 A 125 ILE HB A 95 TRP HZ2 1.0 1.8 4.9 607 514 A 125 ILE HD1% A 95 TRP HZ2 1.0 1.8 5.9 608 515 A 135 PHE HA A 135 PHE HD% 1.0 1.8 5.1 609 516 A 135 PHE HE% A 133 LYS HDx 1.0 1.8 5.0 610 516 A 133 LYS HDy A 135 PHE HE% 1.0 1.8 5.0 611 517 A 135 PHE HZ A 133 LYS HBx 1.0 1.9 4.9 612 517 A 133 LYS HBy A 135 PHE HZ 1.0 1.9 4.9 613 518 A 128 TRP HA A 135 PHE HZ 1.0 1.8 4.1 614 519 A 108 TRP HA A 108 TRP HD1 1.0 1.8 3.0 615 520 A 108 TRP HE3 A 141 GLN HBx 1.0 1.8 4.8 616 520 A 141 GLN HBy A 108 TRP HE3 1.0 1.8 4.8 617 521 A 145 ALA HB% A 108 TRP HE3 1.0 1.8 5.0 618 522 A 108 TRP HE3 A 140 TRP HE3 1.0 1.8 5.2 619 523 A 125 ILE HD1% A 95 TRP HE3 1.0 1.8 5.6 620 524 A 141 GLN HA A 108 TRP HZ3 1.0 1.8 3.4 621 525 A 92 TYR H A 92 TYR HE% 1.0 1.8 5.0 622 526 A 94 ASP HB2 A 92 TYR HE% 1.0 1.8 4.5 623 527 A 134 VAL HA A 128 TRP HZ2 1.0 1.8 4.8 624 528 A 108 TRP HZ2 A 104 LEU HD1% 1.0 1.8 5.0 625 529 A 108 TRP HZ2 A 104 LEU HD2% 1.0 1.8 5.0 626 530 A 124 PHE HD% A 128 TRP HD1 1.0 1.8 5.5 627 531 A 90 ALA HB% A 128 TRP HZ2 1.0 1.8 5.1 628 532 A 128 TRP HZ3 A 131 GLU HGx 1.0 1.8 5.9 629 532 A 131 GLU HGy A 128 TRP HZ3 1.0 1.8 5.9 630 533 A 101 PHE HD% A 121 LEU HD1% 1.0 1.8 5.3 631 534 A 108 TRP H A 108 TRP HD1 1.0 1.8 3.5 632 535 A 127 TYR HA A 127 TYR HD% 1.0 1.8 5.3 633 536 A 108 TRP HZ3 A 140 TRP HZ3 1.0 1.9 3.8 634 537 A 108 TRP HZ3 A 140 TRP HH2 1.0 1.8 5.0 635 538 A 136 HIS HD2 A 88 MET HA 1.0 1.8 4.5 636 539 A 136 HIS H A 136 HIS HD2 1.0 1.8 4.2 637 540 A 140 TRP HE3 A 108 TRP HH2 1.0 1.8 4.2 638 541 A 104 LEU HB2 A 108 TRP HZ2 1.0 1.8 4.8 639 542 A 141 GLN HA A 108 TRP HH2 1.0 1.7 4.2 640 543 A 124 PHE HD% A 148 LEU HG 1.0 1.8 6.5 641 544 A 134 VAL HG2% A 128 TRP HZ2 1.0 1.8 6.0 642 545 A 128 TRP HZ3 A 131 GLU HB2 1.0 1.8 4.4 643 546 A 91 MET H A 128 TRP HZ2 1.0 1.8 4.4 644 547 A 136 HIS HD2 A 139 GLN HGx 1.0 1.8 5.1 645 547 A 139 GLN HGy A 136 HIS HD2 1.0 1.8 5.1 646 548 A 124 PHE HD% A 95 TRP HH2 1.0 1.8 5.5 647 549 A 124 PHE HD% A 121 LEU HA 1.0 1.8 5.7 648 550 A 127 TYR HE% A 131 GLU HGx 1.0 1.8 4.7 649 550 A 131 GLU HGy A 127 TYR HE% 1.0 1.8 4.7 650 551 A 134 VAL HG1% A 88 MET HB3 1.0 1.8 5.3 651 551 A 134 VAL HG1% A 88 MET HB2 1.0 1.8 5.3 652 552 A 135 PHE HA A 88 MET HB3 1.0 1.8 5.6 653 552 A 135 PHE HA A 88 MET HB2 1.0 1.8 5.6 654 553 A 89 PHE H A 88 MET HG2 1.0 1.8 5.8 655 553 A 89 PHE H A 88 MET HG3 1.0 1.8 5.8 656 554 A 134 VAL HG1% A 88 MET HG2 1.0 1.8 5.5 657 554 A 134 VAL HG1% A 88 MET HG3 1.0 1.8 5.5 658 555 A 136 HIS H A 88 MET HG2 1.0 1.8 6.1 659 555 A 136 HIS H A 88 MET HG3 1.0 1.8 6.1 660 556 A 136 HIS HD2 A 88 MET HG2 1.0 1.8 4.8 661 556 A 136 HIS HD2 A 88 MET HG3 1.0 1.8 4.8 662 557 A 92 TYR H A 91 MET HB3 1.0 1.8 4.9 663 557 A 92 TYR H A 91 MET HB2 1.0 1.8 4.9 664 558 A 92 TYR H A 92 TYR HB2 1.0 1.8 4.6 665 558 A 92 TYR H A 92 TYR HB3 1.0 1.8 4.6 666 559 A 92 TYR HA A 93 PRO HD3 1.0 1.8 4.3 667 559 A 92 TYR HA A 93 PRO HD2 1.0 1.8 4.3 668 560 A 92 TYR HB2 A 93 PRO HD3 1.0 1.8 4.5 669 560 A 92 TYR HB3 A 93 PRO HD3 1.0 1.8 4.5 670 560 A 93 PRO HD2 A 92 TYR HB2 1.0 1.8 4.5 671 560 A 92 TYR HB3 A 93 PRO HD2 1.0 1.8 4.5 672 561 A 92 TYR HD% A 93 PRO HD3 1.0 1.8 5.9 673 561 A 92 TYR HD% A 93 PRO HD2 1.0 1.8 5.9 674 562 A 93 PRO HA A 129 GLN HE21 1.0 1.8 5.7 675 562 A 93 PRO HA A 129 GLN HE22 1.0 1.8 5.7 676 563 A 129 GLN HE22 A 93 PRO HD3 1.0 1.8 4.8 677 563 A 129 GLN HE21 A 93 PRO HD3 1.0 1.8 4.8 678 563 A 129 GLN HE21 A 93 PRO HD2 1.0 1.8 4.8 679 563 A 129 GLN HE22 A 93 PRO HD2 1.0 1.8 4.8 680 564 A 96 GLN H A 95 TRP HB3 1.0 1.8 5.1 681 564 A 96 GLN H A 95 TRP HB2 1.0 1.8 5.1 682 565 A 95 TRP HE3 A 121 LEU HD2% 1.0 1.8 5.4 683 565 A 95 TRP HE3 A 121 LEU HD1% 1.0 1.8 5.4 684 566 A 95 TRP HZ3 A 121 LEU HD2% 1.0 1.8 5.3 685 566 A 121 LEU HD1% A 95 TRP HZ3 1.0 1.8 5.3 686 567 A 95 TRP HZ2 A 144 LEU HD2% 1.0 1.8 6.4 687 567 A 95 TRP HZ2 A 144 LEU HD1% 1.0 1.8 6.4 688 568 A 95 TRP HH2 A 144 LEU HD2% 1.0 1.8 5.0 689 568 A 95 TRP HH2 A 144 LEU HD1% 1.0 1.8 5.0 690 569 A 96 GLN H A 96 GLN HB2 1.0 1.8 4.3 691 569 A 96 GLN H A 96 GLN HB3 1.0 1.8 4.3 692 570 A 96 GLN H A 96 GLN HG2 1.0 1.8 4.6 693 570 A 96 GLN H A 96 GLN HG3 1.0 1.8 4.6 694 571 A 96 GLN H A 96 GLN HE21 1.0 1.8 5.7 695 571 A 96 GLN H A 96 GLN HE22 1.0 1.8 5.7 696 572 A 96 GLN H A 97 PRO HD3 1.0 1.7 5.5 697 572 A 96 GLN H A 97 PRO HD2 1.0 1.7 5.5 698 573 A 96 GLN HA A 96 GLN HG2 1.0 1.8 4.7 699 573 A 96 GLN HA A 96 GLN HG3 1.0 1.8 4.7 700 574 A 96 GLN HB2 A 97 PRO HD3 1.0 1.8 4.9 701 574 A 96 GLN HB3 A 97 PRO HD3 1.0 1.8 4.9 702 574 A 97 PRO HD2 A 96 GLN HB2 1.0 1.8 4.9 703 574 A 96 GLN HB3 A 97 PRO HD2 1.0 1.8 4.9 704 575 A 96 GLN HG3 A 97 PRO HD3 1.0 1.8 5.5 705 575 A 96 GLN HG2 A 97 PRO HD3 1.0 1.8 5.5 706 575 A 97 PRO HD2 A 96 GLN HG2 1.0 1.8 5.5 707 575 A 96 GLN HG3 A 97 PRO HD2 1.0 1.8 5.5 708 576 A 97 PRO HB2 A 121 LEU HD2% 1.0 1.8 5.6 709 576 A 97 PRO HB3 A 121 LEU HD2% 1.0 1.8 5.6 710 576 A 121 LEU HD1% A 97 PRO HB2 1.0 1.8 5.6 711 576 A 121 LEU HD1% A 97 PRO HB3 1.0 1.8 5.6 712 577 A 97 PRO HD2 A 121 LEU HD2% 1.0 1.8 4.8 713 577 A 97 PRO HD3 A 121 LEU HD2% 1.0 1.8 4.8 714 577 A 121 LEU HD1% A 97 PRO HD3 1.0 1.8 4.8 715 577 A 121 LEU HD1% A 97 PRO HD2 1.0 1.8 4.8 716 578 A 98 ASP H A 98 ASP HB3 1.0 1.8 4.1 717 578 A 98 ASP H A 98 ASP HB2 1.0 1.8 4.1 718 579 A 100 ASP H A 98 ASP HB3 1.0 1.8 4.7 719 579 A 100 ASP H A 98 ASP HB2 1.0 1.8 4.7 720 580 A 101 PHE H A 98 ASP HB3 1.0 1.8 5.2 721 580 A 101 PHE H A 98 ASP HB2 1.0 1.8 5.2 722 581 A 101 PHE HA A 104 LEU HD2% 1.0 1.8 5.2 723 581 A 101 PHE HA A 104 LEU HD1% 1.0 1.8 5.2 724 582 A 102 ILE H A 101 PHE HB3 1.0 1.8 4.6 725 582 A 102 ILE H A 101 PHE HB2 1.0 1.8 4.6 726 583 A 103 ARG H A 101 PHE HB3 1.0 1.8 6.3 727 583 A 103 ARG H A 101 PHE HB2 1.0 1.8 6.3 728 584 A 101 PHE HD% A 144 LEU HD2% 1.0 1.8 6.0 729 584 A 101 PHE HD% A 144 LEU HD1% 1.0 1.8 6.0 730 585 A 101 PHE HE% A 144 LEU HD2% 1.0 1.8 6.0 731 585 A 101 PHE HE% A 144 LEU HD1% 1.0 1.8 6.0 732 586 A 103 ARG H A 103 ARG HG3 1.0 1.8 4.2 733 586 A 103 ARG H A 103 ARG HG2 1.0 1.8 4.2 734 587 A 103 ARG HA A 103 ARG HG3 1.0 1.8 4.5 735 587 A 103 ARG HG2 A 103 ARG HA 1.0 1.8 4.5 736 588 A 104 LEU H A 103 ARG HG3 1.0 1.8 6.2 737 588 A 104 LEU H A 103 ARG HG2 1.0 1.8 6.2 738 589 A 104 LEU H A 104 LEU HD2% 1.0 1.8 4.3 739 589 A 104 LEU H A 104 LEU HD1% 1.0 1.8 4.3 740 590 A 104 LEU HA A 104 LEU HD2% 1.0 1.8 4.5 741 590 A 104 LEU HA A 104 LEU HD1% 1.0 1.8 4.5 742 591 A 104 LEU HA A 107 LEU HB3 1.0 1.8 5.1 743 591 A 104 LEU HA A 107 LEU HB2 1.0 1.8 5.1 744 592 A 108 TRP HE3 A 104 LEU HD2% 1.0 1.8 5.5 745 592 A 108 TRP HE3 A 104 LEU HD1% 1.0 1.8 5.5 746 593 A 108 TRP HE1 A 104 LEU HD2% 1.0 1.8 5.4 747 593 A 108 TRP HE1 A 104 LEU HD1% 1.0 1.8 5.4 748 594 A 108 TRP HZ2 A 104 LEU HD2% 1.0 1.8 4.3 749 594 A 108 TRP HZ2 A 104 LEU HD1% 1.0 1.8 4.3 750 595 A 104 LEU HD1% A 141 GLN HGx 1.0 1.8 5.4 751 595 A 104 LEU HD2% A 141 GLN HGx 1.0 1.8 5.4 752 595 A 141 GLN HGy A 104 LEU HD2% 1.0 1.8 5.4 753 595 A 141 GLN HGy A 104 LEU HD1% 1.0 1.8 5.4 754 596 A 141 GLN HE21 A 104 LEU HD2% 1.0 1.8 4.9 755 596 A 141 GLN HE21 A 104 LEU HD1% 1.0 1.8 4.9 756 597 A 141 GLN HE22 A 104 LEU HD2% 1.0 1.8 5.3 757 597 A 141 GLN HE22 A 104 LEU HD1% 1.0 1.8 5.3 758 598 A 107 LEU H A 107 LEU HD2% 1.0 1.8 5.3 759 598 A 107 LEU H A 107 LEU HD1% 1.0 1.8 5.3 760 599 A 107 LEU HA A 107 LEU HD2% 1.0 1.8 4.3 761 599 A 107 LEU HA A 107 LEU HD1% 1.0 1.8 4.3 762 600 A 108 TRP H A 107 LEU HB3 1.0 1.8 4.6 763 600 A 108 TRP H A 107 LEU HB2 1.0 1.8 4.6 764 601 A 108 TRP HE1 A 107 LEU HB3 1.0 1.8 6.3 765 601 A 108 TRP HE1 A 107 LEU HB2 1.0 1.8 6.3 766 602 A 109 GLY H A 107 LEU HB3 1.0 1.8 6.2 767 602 A 109 GLY H A 107 LEU HB2 1.0 1.8 6.2 768 603 A 108 TRP H A 107 LEU HD2% 1.0 1.8 5.0 769 603 A 108 TRP H A 107 LEU HD1% 1.0 1.8 5.0 770 604 A 108 TRP HE1 A 107 LEU HD2% 1.0 1.8 5.2 771 604 A 108 TRP HE1 A 107 LEU HD1% 1.0 1.8 5.2 772 605 A 109 GLY H A 107 LEU HD2% 1.0 1.8 5.1 773 605 A 109 GLY H A 107 LEU HD1% 1.0 1.8 5.1 774 606 A 110 VAL H A 109 GLY HA2 1.0 1.8 4.0 775 606 A 110 VAL H A 109 GLY HA3 1.0 1.8 4.0 776 607 A 110 VAL HG1% A 148 LEU HD2% 1.0 1.9 4.8 777 607 A 110 VAL HG1% A 148 LEU HD1% 1.0 1.9 4.8 778 608 A 112 LEU H A 112 LEU HB2 1.0 1.8 4.4 779 608 A 112 LEU H A 112 LEU HB3 1.0 1.8 4.4 780 609 A 112 LEU H A 112 LEU HD2% 1.0 1.8 4.5 781 609 A 112 LEU H A 112 LEU HD1% 1.0 1.8 4.5 782 610 A 112 LEU HA A 112 LEU HD2% 1.0 1.8 4.6 783 610 A 112 LEU HD1% A 112 LEU HA 1.0 1.8 4.6 784 611 A 114 GLU H A 112 LEU HB2 1.0 1.8 5.3 785 611 A 114 GLU H A 112 LEU HB3 1.0 1.8 5.3 786 612 A 113 ARG H A 112 LEU HD2% 1.0 1.8 5.2 787 612 A 113 ARG H A 112 LEU HD1% 1.0 1.8 5.2 788 613 A 114 GLU H A 112 LEU HD2% 1.0 1.8 5.5 789 613 A 114 GLU H A 112 LEU HD1% 1.0 1.8 5.5 790 614 A 112 LEU HD1% A 148 LEU HB3 1.0 1.8 4.7 791 614 A 148 LEU HB2 A 112 LEU HD2% 1.0 1.8 4.7 792 614 A 112 LEU HD1% A 148 LEU HB2 1.0 1.8 4.7 793 614 A 112 LEU HD2% A 148 LEU HB3 1.0 1.8 4.7 794 615 A 112 LEU HD1% A 148 LEU HD2% 1.0 1.8 4.4 795 615 A 112 LEU HD2% A 148 LEU HD2% 1.0 1.8 4.4 796 615 A 148 LEU HD1% A 112 LEU HD2% 1.0 1.8 4.4 797 615 A 148 LEU HD1% A 112 LEU HD1% 1.0 1.8 4.4 798 616 A 114 GLU HA A 115 PRO HD3 1.0 1.8 4.3 799 616 A 114 GLU HA A 115 PRO HD2 1.0 1.8 4.3 800 617 A 116 VAL H A 116 VAL HG1% 1.0 1.8 4.2 801 617 A 116 VAL H A 116 VAL HG2% 1.0 1.8 4.2 802 618 A 117 THR H A 116 VAL HG1% 1.0 1.8 4.5 803 618 A 117 THR H A 116 VAL HG2% 1.0 1.8 4.5 804 619 A 119 GLU H A 119 GLU HB3 1.0 1.8 4.3 805 619 A 119 GLU H A 119 GLU HB2 1.0 1.8 4.3 806 620 A 119 GLU H A 119 GLU HG2 1.0 1.8 4.6 807 620 A 119 GLU H A 119 GLU HG3 1.0 1.8 4.6 808 621 A 120 GLU H A 119 GLU HB3 1.0 1.8 5.3 809 621 A 120 GLU H A 119 GLU HB2 1.0 1.8 5.3 810 622 A 120 GLU H A 119 GLU HG2 1.0 1.8 4.5 811 622 A 120 GLU H A 119 GLU HG3 1.0 1.8 4.5 812 623 A 119 GLU HG3 A 120 GLU HBx 1.0 1.8 4.4 813 623 A 119 GLU HG2 A 120 GLU HBx 1.0 1.8 4.4 814 623 A 120 GLU HBy A 119 GLU HG2 1.0 1.8 4.4 815 623 A 120 GLU HBy A 119 GLU HG3 1.0 1.8 4.4 816 624 A 121 LEU H A 121 LEU HD2% 1.0 1.8 4.6 817 624 A 121 LEU H A 121 LEU HD1% 1.0 1.8 4.6 818 625 A 121 LEU HA A 121 LEU HD2% 1.0 1.8 4.3 819 625 A 121 LEU HA A 121 LEU HD1% 1.0 1.8 4.3 820 626 A 121 LEU HA A 144 LEU HD2% 1.0 1.8 5.5 821 626 A 121 LEU HA A 144 LEU HD1% 1.0 1.8 5.5 822 627 A 121 LEU HD1% A 144 LEU HD2% 1.0 1.8 4.3 823 627 A 121 LEU HD2% A 144 LEU HD2% 1.0 1.8 4.3 824 627 A 144 LEU HD1% A 121 LEU HD2% 1.0 1.8 4.3 825 627 A 121 LEU HD1% A 144 LEU HD1% 1.0 1.8 4.3 826 628 A 124 PHE H A 144 LEU HD2% 1.0 1.8 6.4 827 628 A 124 PHE H A 144 LEU HD1% 1.0 1.8 6.4 828 629 A 125 ILE H A 124 PHE HB3 1.0 1.8 4.8 829 629 A 125 ILE H A 124 PHE HB2 1.0 1.8 4.8 830 630 A 124 PHE HB2 A 144 LEU HD2% 1.0 1.8 5.2 831 630 A 144 LEU HD1% A 124 PHE HB3 1.0 1.8 5.2 832 630 A 144 LEU HD1% A 124 PHE HB2 1.0 1.8 5.2 833 630 A 124 PHE HB3 A 144 LEU HD2% 1.0 1.8 5.2 834 631 A 124 PHE HD% A 148 LEU HD2% 1.0 1.8 5.0 835 631 A 124 PHE HD% A 148 LEU HD1% 1.0 1.8 5.0 836 632 A 125 ILE H A 144 LEU HD2% 1.0 1.8 6.4 837 632 A 125 ILE H A 144 LEU HD1% 1.0 1.8 6.4 838 633 A 128 TRP H A 127 TYR HB3 1.0 1.8 4.5 839 633 A 128 TRP H A 127 TYR HB2 1.0 1.8 4.5 840 634 A 128 TRP HZ3 A 131 GLU HB3 1.0 1.8 4.7 841 634 A 128 TRP HZ3 A 131 GLU HB2 1.0 1.8 4.7 842 635 A 129 GLN H A 129 GLN HG2 1.0 1.8 4.9 843 635 A 129 GLN H A 129 GLN HG3 1.0 1.8 4.9 844 636 A 129 GLN HE21 A 129 GLN HA 1.0 1.8 5.6 845 636 A 129 GLN HE22 A 129 GLN HA 1.0 1.8 5.6 846 637 A 129 GLN HE21 A 129 GLN HG2 1.0 1.8 4.1 847 637 A 129 GLN HE21 A 129 GLN HG3 1.0 1.8 4.1 848 637 A 129 GLN HE22 A 129 GLN HG3 1.0 1.8 4.1 849 637 A 129 GLN HE22 A 129 GLN HG2 1.0 1.8 4.1 850 638 A 130 ALA H A 129 GLN HG2 1.0 1.8 5.0 851 638 A 130 ALA H A 129 GLN HG3 1.0 1.8 5.0 852 639 A 131 GLU H A 131 GLU HB3 1.0 1.8 4.0 853 639 A 131 GLU H A 131 GLU HB2 1.0 1.8 4.0 854 640 A 132 GLY H A 131 GLU HB3 1.0 1.8 4.5 855 640 A 132 GLY H A 131 GLU HB2 1.0 1.8 4.5 856 641 A 135 PHE H A 135 PHE HB3 1.0 1.8 4.7 857 641 A 135 PHE H A 135 PHE HB2 1.0 1.8 4.7 858 642 A 136 HIS H A 135 PHE HB3 1.0 1.8 4.4 859 642 A 136 HIS H A 135 PHE HB2 1.0 1.8 4.4 860 643 A 136 HIS H A 136 HIS HB2 1.0 1.8 4.5 861 643 A 136 HIS H A 136 HIS HB3 1.0 1.8 4.5 862 644 A 137 HIS H A 136 HIS HB2 1.0 1.8 4.9 863 644 A 137 HIS H A 136 HIS HB3 1.0 1.8 4.9 864 645 A 138 VAL H A 137 HIS HB2 1.0 1.8 4.8 865 645 A 138 VAL H A 137 HIS HB3 1.0 1.8 4.8 866 646 A 137 HIS HD2 A 138 VAL HG1% 1.0 1.8 5.0 867 646 A 137 HIS HD2 A 138 VAL HG2% 1.0 1.8 5.0 868 647 A 138 VAL H A 138 VAL HG1% 1.0 1.8 4.2 869 647 A 138 VAL H A 138 VAL HG2% 1.0 1.8 4.2 870 648 A 138 VAL HG1% A 139 GLN HE21 1.0 1.8 5.6 871 648 A 138 VAL HG2% A 139 GLN HE21 1.0 1.8 5.6 872 648 A 139 GLN HE22 A 138 VAL HG1% 1.0 1.8 5.6 873 648 A 138 VAL HG2% A 139 GLN HE22 1.0 1.8 5.6 874 649 A 141 GLN H A 138 VAL HG1% 1.0 1.8 5.6 875 649 A 141 GLN H A 138 VAL HG2% 1.0 1.8 5.6 876 650 A 141 GLN HE21 A 138 VAL HG1% 1.0 1.8 5.9 877 650 A 141 GLN HE21 A 138 VAL HG2% 1.0 1.8 5.9 878 651 A 141 GLN HE22 A 138 VAL HG1% 1.0 1.8 5.7 879 651 A 141 GLN HE22 A 138 VAL HG2% 1.0 1.8 5.7 880 652 A 142 GLN H A 142 GLN HG3 1.0 1.8 4.4 881 652 A 142 GLN H A 142 GLN HG2 1.0 1.8 4.4 882 653 A 143 LYS H A 142 GLN HB2 1.0 1.8 4.6 883 653 A 143 LYS H A 142 GLN HB3 1.0 1.8 4.6 884 654 A 144 LEU H A 144 LEU HD2% 1.0 1.8 5.0 885 654 A 144 LEU H A 144 LEU HD1% 1.0 1.8 5.0 886 655 A 144 LEU HA A 144 LEU HD2% 1.0 1.8 4.6 887 655 A 144 LEU HA A 144 LEU HD1% 1.0 1.8 4.6 888 656 A 145 ALA H A 144 LEU HB3 1.0 1.8 4.4 889 656 A 145 ALA H A 144 LEU HB2 1.0 1.8 4.4 890 657 A 144 LEU HG A 148 LEU HD2% 1.0 1.8 4.8 891 657 A 144 LEU HG A 148 LEU HD1% 1.0 1.8 4.8 892 658 A 145 ALA H A 144 LEU HD2% 1.0 1.8 5.2 893 658 A 145 ALA H A 144 LEU HD1% 1.0 1.8 5.2 894 659 A 145 ALA HA A 144 LEU HD2% 1.0 1.8 6.0 895 659 A 145 ALA HA A 144 LEU HD1% 1.0 1.8 6.0 896 660 A 147 SER H A 144 LEU HD2% 1.0 1.8 5.8 897 660 A 147 SER H A 144 LEU HD1% 1.0 1.8 5.8 898 661 A 144 LEU HD1% A 147 SER HBx 1.0 1.8 5.3 899 661 A 144 LEU HD2% A 147 SER HBx 1.0 1.8 5.3 900 661 A 147 SER HBy A 144 LEU HD2% 1.0 1.8 5.3 901 661 A 147 SER HBy A 144 LEU HD1% 1.0 1.8 5.3 902 662 A 148 LEU H A 144 LEU HD2% 1.0 1.8 5.5 903 662 A 148 LEU H A 144 LEU HD1% 1.0 1.8 5.5 904 663 A 144 LEU HD2% A 148 LEU HD2% 1.0 1.8 4.2 905 663 A 144 LEU HD1% A 148 LEU HD2% 1.0 1.8 4.2 906 663 A 148 LEU HD1% A 144 LEU HD2% 1.0 1.8 4.2 907 663 A 144 LEU HD1% A 148 LEU HD1% 1.0 1.8 4.2 908 664 A 145 ALA HA A 148 LEU HB3 1.0 1.8 5.7 909 664 A 145 ALA HA A 148 LEU HB2 1.0 1.8 5.7 910 665 A 147 SER H A 148 LEU HD2% 1.0 1.8 6.1 911 665 A 147 SER H A 148 LEU HD1% 1.0 1.8 6.1 912 666 A 148 LEU H A 148 LEU HB3 1.0 1.8 4.1 913 666 A 148 LEU H A 148 LEU HB2 1.0 1.8 4.1 914 667 A 148 LEU H A 148 LEU HD2% 1.0 1.8 4.6 915 667 A 148 LEU H A 148 LEU HD1% 1.0 1.8 4.6 916 668 A 148 LEU HA A 148 LEU HD2% 1.0 1.8 4.3 917 668 A 148 LEU HA A 148 LEU HD1% 1.0 1.8 4.3 918 669 A 149 GLN H A 148 LEU HB3 1.0 1.8 5.0 919 669 A 149 GLN H A 148 LEU HB2 1.0 1.8 5.0 920 670 A 150 ILE H A 150 ILE HG13 1.0 1.8 4.4 921 670 A 150 ILE H A 150 ILE HG12 1.0 1.8 4.4 922 671 A 150 ILE HA A 150 ILE HG13 1.0 1.8 4.6 923 671 A 150 ILE HA A 150 ILE HG12 1.0 1.8 4.6 924 672 A 157 GLY H A 158 LEU HB3 1.0 1.8 5.9 925 672 A 157 GLY H A 158 LEU HB2 1.0 1.8 5.9 926 673 A 158 LEU H A 158 LEU HB3 1.0 1.8 4.2 927 673 A 158 LEU H A 158 LEU HB2 1.0 1.8 4.2 928 674 A 170 ASP H A 169 PRO HB2 1.0 1.8 4.8 929 674 A 170 ASP H A 169 PRO HB3 1.0 1.8 4.8 930 675 A 172 GLN H A 172 GLN HB2 1.0 1.8 4.5 931 675 A 172 GLN H A 172 GLN HB3 1.0 1.8 4.5 932 676 A 173 ILE H A 173 ILE HG13 1.0 1.8 4.6 933 676 A 173 ILE H A 173 ILE HG12 1.0 1.8 4.6 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 89 PHE H A 135 PHE O 1.0 1.8 2.2 2 2 A 135 PHE O A 89 PHE N 1.0 2.7 3.2 3 3 A 103 ARG H A 99 ALA O 1.0 1.8 2.2 4 4 A 99 ALA O A 103 ARG N 1.0 2.7 3.2 5 5 A 104 LEU H A 100 ASP O 1.0 1.8 2.2 6 6 A 100 ASP O A 104 LEU N 1.0 2.7 3.2 7 7 A 105 ALA H A 101 PHE O 1.0 1.8 2.2 8 8 A 101 PHE O A 105 ALA N 1.0 2.7 3.2 9 9 A 106 ALA H A 102 ILE O 1.0 1.8 2.2 10 10 A 102 ILE O A 106 ALA N 1.0 2.7 3.2 11 11 A 123 SER H A 119 GLU O 1.0 1.8 2.2 12 12 A 119 GLU O A 123 SER N 1.0 2.7 3.2 13 13 A 124 PHE H A 120 GLU O 1.0 1.8 2.2 14 14 A 120 GLU O A 124 PHE N 1.0 2.7 3.2 15 15 A 125 ILE H A 121 LEU O 1.0 1.8 2.2 16 16 A 121 LEU O A 125 ILE N 1.0 2.7 3.2 17 17 A 126 ALA H A 122 ALA O 1.0 1.8 2.2 18 18 A 122 ALA O A 126 ALA N 1.0 2.7 3.2 19 19 A 127 TYR H A 123 SER O 1.0 1.8 2.2 20 20 A 123 SER O A 127 TYR N 1.0 2.7 3.2 21 21 A 128 TRP H A 124 PHE O 1.0 1.8 2.2 22 22 A 124 PHE O A 128 TRP N 1.0 2.7 3.2 23 23 A 129 GLN H A 125 ILE O 1.0 1.8 2.2 24 24 A 125 ILE O A 129 GLN N 1.0 2.7 3.2 25 25 A 130 ALA H A 126 ALA O 1.0 1.8 2.2 26 26 A 126 ALA O A 130 ALA N 1.0 2.7 3.2 27 27 A 131 GLU H A 127 TYR O 1.0 1.8 2.2 28 28 A 127 TYR O A 131 GLU N 1.0 2.7 3.2 29 29 A 141 GLN H A 137 HIS O 1.0 1.8 2.2 30 30 A 137 HIS O A 141 GLN N 1.0 2.7 3.2 31 31 A 142 GLN H A 138 VAL O 1.0 1.8 2.2 32 32 A 138 VAL O A 142 GLN N 1.0 2.7 3.2 33 33 A 143 LYS H A 139 GLN O 1.0 1.8 2.2 34 34 A 139 GLN O A 143 LYS N 1.0 2.7 3.2 35 35 A 144 LEU H A 140 TRP O 1.0 1.8 2.2 36 36 A 140 TRP O A 144 LEU N 1.0 2.7 3.2 37 37 A 145 ALA H A 141 GLN O 1.0 1.8 2.2 38 38 A 141 GLN O A 145 ALA N 1.0 2.7 3.2 39 39 A 146 ARG H A 142 GLN O 1.0 1.8 2.2 40 40 A 142 GLN O A 146 ARG N 1.0 2.7 3.2 41 41 A 147 SER H A 143 LYS O 1.0 1.8 2.2 42 42 A 143 LYS O A 147 SER N 1.0 2.7 3.2 43 43 A 148 LEU H A 144 LEU O 1.0 1.8 2.2 44 44 A 144 LEU O A 148 LEU N 1.0 2.7 3.2 45 45 A 149 GLN H A 145 ALA O 1.0 1.8 2.2 46 46 A 145 ALA O A 149 GLN N 1.0 2.7 3.2 47 47 A 150 ILE H A 146 ARG O 1.0 1.8 2.2 48 48 A 146 ARG O A 150 ILE N 1.0 2.7 3.2 49 49 A 151 GLY H A 147 SER O 1.0 1.8 2.2 50 50 A 147 SER O A 151 GLY N 1.0 2.7 3.2 51 51 A 152 ARG H A 148 LEU O 1.0 1.8 2.2 52 52 A 148 LEU O A 152 ARG N 1.0 2.7 3.2 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 89 PHE C A 90 ALA N A 90 ALA CA A 90 ALA C 1.0 -130.8 -61.5 PHI 2 2 A 90 ALA N A 90 ALA CA A 90 ALA C A 91 MET N 1.0 104.5 180.0 PSI 3 3 A 91 MET C A 92 TYR N A 92 TYR CA A 92 TYR C 1.0 -145.4 -61.0 PHI 4 4 A 92 TYR N A 92 TYR CA A 92 TYR C A 93 PRO N 1.0 110.8 169.8 PSI 5 5 A 93 PRO C A 94 ASP N A 94 ASP CA A 94 ASP C 1.0 -112.9 -73.6 PHI 6 6 A 94 ASP N A 94 ASP CA A 94 ASP C A 95 TRP N 1.0 -21.2 27.5 PSI 7 7 A 95 TRP C A 96 GLN N A 96 GLN CA A 96 GLN C 1.0 -142.5 -92.9 PHI 8 8 A 96 GLN N A 96 GLN CA A 96 GLN C A 97 PRO N 1.0 92.5 169.4 PSI 9 9 A 98 ASP C A 99 ALA N A 99 ALA CA A 99 ALA C 1.0 -88.0 -32.1 PHI 10 10 A 99 ALA N A 99 ALA CA A 99 ALA C A 100 ASP N 1.0 -58.8 -9.8 PSI 11 11 A 99 ALA C A 100 ASP N A 100 ASP CA A 100 ASP C 1.0 -112.8 -49.5 PHI 12 12 A 100 ASP N A 100 ASP CA A 100 ASP C A 101 PHE N 1.0 -44.0 21.5 PSI 13 13 A 100 ASP C A 101 PHE N A 101 PHE CA A 101 PHE C 1.0 -72.3 -42.1 PHI 14 14 A 101 PHE N A 101 PHE CA A 101 PHE C A 102 ILE N 1.0 -68.4 -30.8 PSI 15 15 A 101 PHE C A 102 ILE N A 102 ILE CA A 102 ILE C 1.0 -76.7 -42.2 PHI 16 16 A 102 ILE N A 102 ILE CA A 102 ILE C A 103 ARG N 1.0 -61.2 -28.7 PSI 17 17 A 102 ILE C A 103 ARG N A 103 ARG CA A 103 ARG C 1.0 -82.5 -49.9 PHI 18 18 A 103 ARG N A 103 ARG CA A 103 ARG C A 104 LEU N 1.0 -58.1 -23.2 PSI 19 19 A 103 ARG C A 104 LEU N A 104 LEU CA A 104 LEU C 1.0 -79.6 -48.6 PHI 20 20 A 104 LEU N A 104 LEU CA A 104 LEU C A 105 ALA N 1.0 -62.5 -21.8 PSI 21 21 A 104 LEU C A 105 ALA N A 105 ALA CA A 105 ALA C 1.0 -80.2 -48.2 PHI 22 22 A 105 ALA N A 105 ALA CA A 105 ALA C A 106 ALA N 1.0 -54.3 -25.5 PSI 23 23 A 105 ALA C A 106 ALA N A 106 ALA CA A 106 ALA C 1.0 -84.4 -51.3 PHI 24 24 A 106 ALA N A 106 ALA CA A 106 ALA C A 107 LEU N 1.0 -54.2 -19.2 PSI 25 25 A 106 ALA C A 107 LEU N A 107 LEU CA A 107 LEU C 1.0 -81.4 -49.8 PHI 26 26 A 107 LEU N A 107 LEU CA A 107 LEU C A 108 TRP N 1.0 -47.4 -13.2 PSI 27 27 A 107 LEU C A 108 TRP N A 108 TRP CA A 108 TRP C 1.0 -116.9 -68.1 PHI 28 28 A 108 TRP N A 108 TRP CA A 108 TRP C A 109 GLY N 1.0 -13.3 29.8 PSI 29 29 A 109 GLY C A 110 VAL N A 110 VAL CA A 110 VAL C 1.0 -150.7 -68.4 PHI 30 30 A 110 VAL N A 110 VAL CA A 110 VAL C A 111 ALA N 1.0 110.7 156.8 PSI 31 31 A 110 VAL C A 111 ALA N A 111 ALA CA A 111 ALA C 1.0 -126.0 -70.1 PHI 32 32 A 111 ALA N A 111 ALA CA A 111 ALA C A 112 LEU N 1.0 90.4 140.9 PSI 33 33 A 111 ALA C A 112 LEU N A 112 LEU CA A 112 LEU C 1.0 -123.4 -71.3 PHI 34 34 A 112 LEU N A 112 LEU CA A 112 LEU C A 113 ARG N 1.0 108.6 175.5 PSI 35 35 A 112 LEU C A 113 ARG N A 113 ARG CA A 113 ARG C 1.0 -118.9 -60.1 PHI 36 36 A 113 ARG N A 113 ARG CA A 113 ARG C A 114 GLU N 1.0 -64.5 -6.7 PSI 37 37 A 115 PRO C A 116 VAL N A 116 VAL CA A 116 VAL C 1.0 -116.4 -55.8 PHI 38 38 A 116 VAL N A 116 VAL CA A 116 VAL C A 117 THR N 1.0 104.8 159.9 PSI 39 39 A 116 VAL C A 117 THR N A 117 THR CA A 117 THR C 1.0 -114.0 -65.4 PHI 40 40 A 117 THR N A 117 THR CA A 117 THR C A 118 THR N 1.0 147.7 185.9 PSI 41 41 A 117 THR C A 118 THR N A 118 THR CA A 118 THR C 1.0 -72.2 -45.7 PHI 42 42 A 118 THR N A 118 THR CA A 118 THR C A 119 GLU N 1.0 -55.6 -23.0 PSI 43 43 A 118 THR C A 119 GLU N A 119 GLU CA A 119 GLU C 1.0 -78.0 -50.6 PHI 44 44 A 119 GLU N A 119 GLU CA A 119 GLU C A 120 GLU N 1.0 -56.1 -30.5 PSI 45 45 A 119 GLU C A 120 GLU N A 120 GLU CA A 120 GLU C 1.0 -80.1 -47.6 PHI 46 46 A 120 GLU N A 120 GLU CA A 120 GLU C A 121 LEU N 1.0 -56.6 -25.7 PSI 47 47 A 120 GLU C A 121 LEU N A 121 LEU CA A 121 LEU C 1.0 -76.3 -46.9 PHI 48 48 A 121 LEU N A 121 LEU CA A 121 LEU C A 122 ALA N 1.0 -57.8 -24.6 PSI 49 49 A 121 LEU C A 122 ALA N A 122 ALA CA A 122 ALA C 1.0 -78.9 -44.9 PHI 50 50 A 122 ALA N A 122 ALA CA A 122 ALA C A 123 SER N 1.0 -58.1 -20.1 PSI 51 51 A 122 ALA C A 123 SER N A 123 SER CA A 123 SER C 1.0 -88.6 -53.1 PHI 52 52 A 123 SER N A 123 SER CA A 123 SER C A 124 PHE N 1.0 -51.1 -20.7 PSI 53 53 A 123 SER C A 124 PHE N A 124 PHE CA A 124 PHE C 1.0 -77.8 -50.5 PHI 54 54 A 124 PHE N A 124 PHE CA A 124 PHE C A 125 ILE N 1.0 -59.1 -31.2 PSI 55 55 A 124 PHE C A 125 ILE N A 125 ILE CA A 125 ILE C 1.0 -75.7 -48.4 PHI 56 56 A 125 ILE N A 125 ILE CA A 125 ILE C A 126 ALA N 1.0 -62.4 -29.3 PSI 57 57 A 125 ILE C A 126 ALA N A 126 ALA CA A 126 ALA C 1.0 -80.5 -49.1 PHI 58 58 A 126 ALA N A 126 ALA CA A 126 ALA C A 127 TYR N 1.0 -59.1 -22.0 PSI 59 59 A 126 ALA C A 127 TYR N A 127 TYR CA A 127 TYR C 1.0 -86.0 -49.6 PHI 60 60 A 127 TYR N A 127 TYR CA A 127 TYR C A 128 TRP N 1.0 -62.9 -29.5 PSI 61 61 A 127 TYR C A 128 TRP N A 128 TRP CA A 128 TRP C 1.0 -80.6 -45.6 PHI 62 62 A 128 TRP N A 128 TRP CA A 128 TRP C A 129 GLN N 1.0 -58.0 -15.2 PSI 63 63 A 128 TRP C A 129 GLN N A 129 GLN CA A 129 GLN C 1.0 -77.5 -49.7 PHI 64 64 A 129 GLN N A 129 GLN CA A 129 GLN C A 130 ALA N 1.0 -62.8 -30.5 PSI 65 65 A 129 GLN C A 130 ALA N A 130 ALA CA A 130 ALA C 1.0 -78.3 -46.9 PHI 66 66 A 130 ALA N A 130 ALA CA A 130 ALA C A 131 GLU N 1.0 -57.5 -19.3 PSI 67 67 A 130 ALA C A 131 GLU N A 131 GLU CA A 131 GLU C 1.0 -101.4 -59.2 PHI 68 68 A 131 GLU N A 131 GLU CA A 131 GLU C A 132 GLY N 1.0 -49.9 -8.9 PSI 69 69 A 133 LYS C A 134 VAL N A 134 VAL CA A 134 VAL C 1.0 -169.4 -96.6 PHI 70 70 A 134 VAL N A 134 VAL CA A 134 VAL C A 135 PHE N 1.0 142.1 180.6 PSI 71 71 A 134 VAL C A 135 PHE N A 135 PHE CA A 135 PHE C 1.0 -142.9 -96.1 PHI 72 72 A 135 PHE N A 135 PHE CA A 135 PHE C A 136 HIS N 1.0 129.6 171.1 PSI 73 73 A 136 HIS C A 137 HIS N A 137 HIS CA A 137 HIS C 1.0 -71.3 -36.5 PHI 74 74 A 137 HIS N A 137 HIS CA A 137 HIS C A 138 VAL N 1.0 -71.0 -30.9 PSI 75 75 A 137 HIS C A 138 VAL N A 138 VAL CA A 138 VAL C 1.0 -76.7 -51.1 PHI 76 76 A 138 VAL N A 138 VAL CA A 138 VAL C A 139 GLN N 1.0 -64.5 -26.2 PSI 77 77 A 138 VAL C A 139 GLN N A 139 GLN CA A 139 GLN C 1.0 -76.1 -47.7 PHI 78 78 A 139 GLN N A 139 GLN CA A 139 GLN C A 140 TRP N 1.0 -57.7 -27.0 PSI 79 79 A 139 GLN C A 140 TRP N A 140 TRP CA A 140 TRP C 1.0 -86.7 -47.7 PHI 80 80 A 140 TRP N A 140 TRP CA A 140 TRP C A 141 GLN N 1.0 -60.9 -16.8 PSI 81 81 A 140 TRP C A 141 GLN N A 141 GLN CA A 141 GLN C 1.0 -73.8 -48.4 PHI 82 82 A 141 GLN N A 141 GLN CA A 141 GLN C A 142 GLN N 1.0 -58.0 -28.0 PSI 83 83 A 141 GLN C A 142 GLN N A 142 GLN CA A 142 GLN C 1.0 -80.0 -47.6 PHI 84 84 A 142 GLN N A 142 GLN CA A 142 GLN C A 143 LYS N 1.0 -58.5 -19.8 PSI 85 85 A 142 GLN C A 143 LYS N A 143 LYS CA A 143 LYS C 1.0 -76.2 -51.0 PHI 86 86 A 143 LYS N A 143 LYS CA A 143 LYS C A 144 LEU N 1.0 -54.2 -24.7 PSI 87 87 A 143 LYS C A 144 LEU N A 144 LEU CA A 144 LEU C 1.0 -80.1 -50.0 PHI 88 88 A 144 LEU N A 144 LEU CA A 144 LEU C A 145 ALA N 1.0 -58.2 -23.2 PSI 89 89 A 144 LEU C A 145 ALA N A 145 ALA CA A 145 ALA C 1.0 -77.1 -45.9 PHI 90 90 A 145 ALA N A 145 ALA CA A 145 ALA C A 146 ARG N 1.0 -60.0 -27.4 PSI 91 91 A 145 ALA C A 146 ARG N A 146 ARG CA A 146 ARG C 1.0 -78.2 -47.1 PHI 92 92 A 146 ARG N A 146 ARG CA A 146 ARG C A 147 SER N 1.0 -55.8 -25.7 PSI 93 93 A 146 ARG C A 147 SER N A 147 SER CA A 147 SER C 1.0 -78.5 -53.7 PHI 94 94 A 147 SER N A 147 SER CA A 147 SER C A 148 LEU N 1.0 -52.6 -26.1 PSI 95 95 A 147 SER C A 148 LEU N A 148 LEU CA A 148 LEU C 1.0 -80.2 -53.5 PHI 96 96 A 148 LEU N A 148 LEU CA A 148 LEU C A 149 GLN N 1.0 -55.3 -26.7 PSI 97 97 A 148 LEU C A 149 GLN N A 149 GLN CA A 149 GLN C 1.0 -82.0 -49.2 PHI 98 98 A 149 GLN N A 149 GLN CA A 149 GLN C A 150 ILE N 1.0 -57.8 -19.0 PSI 99 99 A 149 GLN C A 150 ILE N A 150 ILE CA A 150 ILE C 1.0 -92.5 -46.3 PHI 100 100 A 150 ILE N A 150 ILE CA A 150 ILE C A 151 GLY N 1.0 -53.5 -12.7 PSI 101 101 A 150 ILE C A 151 GLY N A 151 GLY CA A 151 GLY C 1.0 -81.6 -51.4 PHI 102 102 A 151 GLY N A 151 GLY CA A 151 GLY C A 152 ARG N 1.0 -56.5 -7.6 PSI 103 103 A 151 GLY C A 152 ARG N A 152 ARG CA A 152 ARG C 1.0 -81.6 -47.2 PHI 104 104 A 152 ARG N A 152 ARG CA A 152 ARG C A 153 ALA N 1.0 -60.6 -27.9 PSI 105 105 A 152 ARG C A 153 ALA N A 153 ALA CA A 153 ALA C 1.0 -84.7 -44.7 PHI 106 106 A 153 ALA N A 153 ALA CA A 153 ALA C A 154 SER N 1.0 -58.4 -14.9 PSI 107 107 A 153 ALA C A 154 SER N A 154 SER CA A 154 SER C 1.0 -115.8 -45.2 PHI 108 108 A 154 SER N A 154 SER CA A 154 SER C A 155 ASN N 1.0 -41.8 5.1 PSI 109 109 A 161 ARG C A 162 ASP N A 162 ASP CA A 162 ASP C 1.0 -137.9 -53.5 PHI 110 110 A 162 ASP N A 162 ASP CA A 162 ASP C A 163 VAL N 1.0 86.0 159.2 PSI stop_ save_