============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 27 1.000 -66.730 58.246 -15.011 -99.200 -91.000 PHE 29 1.000 -69.940 55.879 -19.974 -99.200 -91.000 TRP 36 1.040 -74.847 47.440 -15.701 -99.200 -91.000 TRP6 36 1.020 -76.528 48.749 -14.682 -99.200 -91.000 TRP 47 1.040 -68.415 42.217 -12.598 -99.200 -91.000 TRP6 47 1.020 -68.138 40.787 -14.449 -99.200 -91.000 TYR 52 0.840 -62.848 47.410 -20.708 -99.200 -91.000 TYR 54 0.840 -61.343 53.610 -27.725 -99.200 -91.000 PHE 57 1.000 -63.807 42.775 -24.932 -99.200 -91.000 TYR 59 0.840 -63.918 40.282 -20.509 -99.200 -91.000 TYR 60 0.840 -72.318 40.244 -21.475 -99.200 -91.000 PHE 68 1.000 -79.497 39.704 -16.707 -99.200 -91.000 TYR 80 0.840 -78.644 53.189 -22.119 -99.200 -91.000 TYR 94 0.840 -80.127 43.367 -11.407 -99.200 -91.000 TYR 95 0.840 -75.956 48.334 -5.109 -99.200 -91.000 TYR 102 0.840 -56.139 47.108 -7.861 -99.200 -91.000 TYR 106 0.840 -53.582 42.220 -11.267 -99.200 -91.000 TYR 110 0.840 -65.940 58.287 -7.144 -99.200 -91.000 TRP 111 1.040 -69.419 50.599 -5.633 -99.200 -91.000 TRP6 111 1.020 -70.239 48.403 -5.865 -99.200 -91.000 PHE 130 1.000 -104.867 51.908 7.089 -99.200 -91.000 TYR 148 0.840 -95.066 47.762 0.803 -99.200 -91.000 PHE 149 1.000 -95.233 41.589 -4.887 -99.200 -91.000 TRP 157 1.040 -91.436 59.671 10.118 -99.200 -91.000 TRP6 157 1.020 -93.592 59.791 11.067 -99.200 -91.000 HIS 167 0.900 -84.996 53.181 15.606 -99.200 -91.000 PHE 169 1.000 -89.341 48.715 13.762 -99.200 -91.000 TYR 179 0.840 -92.731 42.268 0.517 -99.200 -91.000 TYR 197 0.840 -94.076 65.309 15.565 -99.200 -91.000 HIS 203 0.900 -95.451 50.668 -3.988 -99.200 -91.000