============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 2 0.900 -21.310 23.991 46.892 -99.200 -91.000 PHE 4 1.000 -10.850 27.768 47.710 -99.200 -91.000 PHE 24 1.000 -15.607 14.236 60.482 -99.200 -91.000 TYR 51 0.840 -25.706 16.155 58.823 -99.200 -91.000 PHE 59 1.000 -17.835 14.308 55.332 -99.200 -91.000 PHE 69 1.000 -3.485 21.949 49.601 -99.200 -91.000 HIS 71 0.900 2.176 18.345 43.781 -99.200 -91.000 PHE 101 1.000 1.692 -1.253 49.203 -99.200 -91.000 HIS 105 0.900 3.090 -5.892 49.975 -99.200 -91.000 PHE 109 1.000 6.995 -2.641 47.894 -99.200 -91.000 TYR 127 0.840 0.648 23.295 44.904 -99.200 -91.000 TYR 133 0.840 -4.041 25.550 53.568 -99.200 -91.000 HIS 135 0.900 -1.003 16.782 56.972 -99.200 -91.000 PHE 156 1.000 -4.956 17.702 52.749 -99.200 -91.000 TRP 168 1.040 4.170 10.223 62.741 -99.200 -91.000 TRP6 168 1.020 3.017 8.754 64.188 -99.200 -91.000 TYR 176 0.840 7.803 27.776 71.438 -99.200 -91.000 PHE 179 1.000 1.749 22.278 65.813 -99.200 -91.000 TRP 186 1.040 10.406 16.015 64.331 -99.200 -91.000 TRP6 186 1.020 12.434 16.310 65.521 -99.200 -91.000 TYR 188 0.840 9.869 13.662 53.649 -99.200 -91.000 TRP 193 1.040 13.128 5.177 61.909 -99.200 -91.000 TRP6 193 1.020 11.435 3.909 62.949 -99.200 -91.000 TYR 198 0.840 10.052 -2.556 53.567 -99.200 -91.000 TYR 203 0.840 10.305 8.709 68.469 -99.200 -91.000 TRP 204 1.040 10.534 0.586 67.927 -99.200 -91.000 TRP6 204 1.020 12.380 1.933 68.560 -99.200 -91.000 TYR 219 0.840 19.569 9.625 74.087 -99.200 -91.000 TYR 232 0.840 20.087 7.349 61.054 -99.200 -91.000 TRP 239 1.040 13.807 13.171 62.551 -99.200 -91.000 TRP6 239 1.020 14.644 10.972 62.549 -99.200 -91.000 PHE 249 1.000 8.199 19.443 53.543 -99.200 -91.000