============================================================================= 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. PHE 3 1.000 15.248 2.016 37.203 -99.200 -91.000 TYR 9 0.840 7.435 13.431 41.018 -99.200 -91.000 HIS 21 0.900 11.897 -8.413 43.854 -99.200 -91.000 TRP 29 1.040 10.420 19.557 45.024 -99.200 -91.000 TRP6 29 1.020 8.557 18.457 44.101 -99.200 -91.000 PHE 55 1.000 7.076 18.609 48.029 -99.200 -91.000 HIS 56 0.900 7.537 23.583 45.801 -99.200 -91.000 TYR 62 0.840 1.227 16.087 48.585 -99.200 -91.000 PHE 68 1.000 18.745 17.082 62.253 -99.200 -91.000 PHE 78 1.000 16.029 23.329 72.007 -99.200 -91.000 PHE 80 1.000 22.179 19.753 74.738 -99.200 -91.000 TYR 85 0.840 20.345 25.351 71.298 -99.200 -91.000 HIS 86 0.900 14.664 32.057 72.105 -99.200 -91.000 PHE 87 1.000 15.441 24.623 66.942 -99.200 -91.000 HIS 95 0.900 3.911 31.053 71.091 -99.200 -91.000 HIS 97 0.900 10.782 24.274 64.584 -99.200 -91.000 HIS 99 0.900 6.274 17.786 61.467 -99.200 -91.000 PHE 101 1.000 16.251 23.807 62.340 -99.200 -91.000 TYR 103 0.840 9.404 20.963 56.437 -99.200 -91.000 HIS 104 0.900 9.815 24.060 50.248 -99.200 -91.000 TRP 107 1.040 17.971 17.325 52.005 -99.200 -91.000 TRP6 107 1.020 18.651 15.714 53.574 -99.200 -91.000 HIS 132 0.900 15.628 32.124 59.360 -99.200 -91.000 PHE 137 1.000 20.822 22.278 65.922 -99.200 -91.000 HIS 139 0.900 25.056 23.550 68.086 -99.200 -91.000 HIS 140 0.900 30.139 22.015 59.619 -99.200 -91.000 TYR 146 0.840 16.857 8.108 50.336 -99.200 -91.000 PHE 154 1.000 17.641 -2.894 53.540 -99.200 -91.000 HIS 156 0.900 20.336 1.987 56.622 -99.200 -91.000 PHE 166 1.000 24.601 18.380 66.292 -99.200 -91.000 TRP 168 1.040 21.150 13.531 67.152 -99.200 -91.000 TRP6 168 1.020 20.010 11.898 65.890 -99.200 -91.000 TYR 172 0.840 13.131 9.091 58.014 -99.200 -91.000 HIS 173 0.900 3.835 14.032 58.290 -99.200 -91.000 PHE 176 1.000 3.937 3.718 53.834 -99.200 -91.000 PHE 178 1.000 -4.811 2.430 56.187 -99.200 -91.000 PHE 185 1.000 -0.708 1.684 61.564 -99.200 -91.000 TRP 193 1.040 5.186 9.730 74.634 -99.200 -91.000 TRP6 193 1.020 6.486 10.387 76.479 -99.200 -91.000 TYR 209 0.840 -6.362 2.224 69.526 -99.200 -91.000 HIS 214 0.900 0.151 -5.038 70.544 -99.200 -91.000 HIS 220 0.900 -16.756 4.573 61.232 -99.200 -91.000 PHE 227 1.000 -0.268 5.118 68.749 -99.200 -91.000 TYR 231 0.840 14.274 -2.735 70.455 -99.200 -91.000 TYR 243 0.840 -3.371 -8.009 53.922 -99.200 -91.000 HIS 244 0.900 -2.310 -0.883 50.974 -99.200 -91.000 HIS 246 0.900 -10.707 -4.939 48.572 -99.200 -91.000 HIS 248 0.900 -5.401 -10.428 47.891 -99.200 -91.000 TYR 253 0.840 8.404 3.475 57.791 -99.200 -91.000 PHE 259 1.000 14.236 5.963 63.310 -99.200 -91.000 HIS 261 0.900 9.217 8.328 71.926 -99.200 -91.000 TRP 262 1.040 7.007 3.422 65.514 -99.200 -91.000 TRP6 262 1.020 7.291 3.047 63.209 -99.200 -91.000 TYR 265 0.840 -2.190 14.271 60.270 -99.200 -91.000 TYR 273 0.840 -3.147 12.114 54.143 -99.200 -91.000 TYR 279 0.840 7.834 11.926 65.105 -99.200 -91.000 TRP 281 1.040 12.974 15.066 69.395 -99.200 -91.000 TRP6 281 1.020 14.860 16.486 69.709 -99.200 -91.000