============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 9 0.840 -16.956 -4.971 21.780 -99.200 -91.000 PHE 18 1.000 -16.208 -20.315 24.191 -99.200 -91.000 PHE 21 1.000 -11.183 -30.055 22.835 -99.200 -91.000 TRP 23 1.040 -2.059 -32.594 27.973 -99.200 -91.000 TRP6 23 1.020 -1.374 -30.537 28.921 -99.200 -91.000 PHE 37 1.000 13.495 -15.118 14.564 -99.200 -91.000 PHE 51 1.000 -3.701 -7.705 6.686 -99.200 -91.000 HIS 52 0.900 -8.513 -5.285 -0.214 -99.200 -91.000 TYR 57 0.840 3.471 5.064 3.556 -99.200 -91.000 HIS 68 0.900 18.188 -2.739 20.141 -99.200 -91.000 PHE 75 1.000 9.351 -20.602 22.023 -99.200 -91.000 TYR 96 0.840 13.858 -9.068 29.827 -99.200 -91.000 HIS 105 0.900 2.290 -21.584 27.501 -99.200 -91.000 TYR 107 0.840 8.280 -26.147 26.097 -99.200 -91.000 TRP 115 1.040 -6.653 -28.526 29.395 -99.200 -91.000 TRP6 115 1.020 -6.631 -30.828 28.810 -99.200 -91.000 TYR 116 0.840 -7.858 -25.698 20.717 -99.200 -91.000 TRP 121 1.040 -11.255 -17.533 23.371 -99.200 -91.000 TRP6 121 1.020 -13.361 -16.551 22.876 -99.200 -91.000 HIS 129 0.900 -2.855 -16.513 42.379 -99.200 -91.000 HIS 137 0.900 -3.073 -26.384 40.769 -99.200 -91.000 HIS 140 0.900 3.396 -32.454 40.276 -99.200 -91.000 HIS 144 0.900 7.042 -40.162 36.797 -99.200 -91.000 TYR 148 0.840 -5.062 -37.823 21.172 -99.200 -91.000 HIS 155 0.900 -14.667 -28.661 9.795 -99.200 -91.000 TYR 183 0.840 8.230 -17.290 31.185 -99.200 -91.000 PHE 184 1.000 6.662 -9.535 32.623 -99.200 -91.000 HIS 191 0.900 -8.549 -17.094 18.376 -99.200 -91.000 TRP 193 1.040 -7.142 -4.176 23.246 -99.200 -91.000 TRP6 193 1.020 -5.303 -3.566 21.892 -99.200 -91.000 PHE 202 1.000 4.724 -4.601 26.743 -99.200 -91.000 PHE 205 1.000 8.997 -7.047 30.638 -99.200 -91.000 TYR 206 0.840 8.941 0.227 26.914 -99.200 -91.000 TRP 214 1.040 15.617 -8.881 20.571 -99.200 -91.000 TRP6 214 1.020 16.635 -7.799 18.726 -99.200 -91.000 HIS 216 0.900 11.189 -14.295 19.900 -99.200 -91.000 PHE 217 1.000 6.863 -8.207 22.685 -99.200 -91.000 HIS 218 0.900 6.072 -17.723 23.159 -99.200 -91.000 PHE 228 1.000 0.900 -7.577 24.700 -99.200 -91.000 TYR 247 0.840 0.828 0.923 5.017 -99.200 -91.000 HIS 250 0.900 1.031 -6.721 6.623 -99.200 -91.000 PHE 255 1.000 -4.255 -9.136 11.546 -99.200 -91.000 TYR 256 0.840 -2.822 -2.250 8.066 -99.200 -91.000 TYR 257 0.840 -3.301 -5.920 15.626 -99.200 -91.000 PHE 260 1.000 -8.389 -6.641 7.856 -99.200 -91.000 TRP 270 1.040 -15.418 -17.567 16.170 -99.200 -91.000 TRP6 270 1.020 -13.583 -16.820 17.461 -99.200 -91.000 TYR 274 0.840 -14.421 -11.346 20.238 -99.200 -91.000 TYR 275 0.840 -9.688 -10.810 12.730 -99.200 -91.000 PHE 285 1.000 -0.572 1.215 24.111 -99.200 -91.000 TYR 286 0.840 -0.348 7.385 17.420 -99.200 -91.000 TYR 288 0.840 -1.513 5.195 28.399 -99.200 -91.000 TYR 297 0.840 4.054 6.591 28.746 -99.200 -91.000 TRP 301 1.040 -4.618 0.151 28.505 -99.200 -91.000 TRP6 301 1.020 -5.247 1.410 26.599 -99.200 -91.000 TRP 304 1.040 -5.735 8.332 29.068 -99.200 -91.000 TRP6 304 1.020 -6.389 7.446 26.969 -99.200 -91.000 HIS 308 0.900 -9.046 10.301 28.890 -99.200 -91.000