============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 18 1.040 16.884 -18.772 -18.435 -99.200 -91.000 TRP6 18 1.020 14.826 -17.638 -18.506 -99.200 -91.000 PHE 33 1.000 2.241 -20.337 -35.232 -99.200 -91.000 TYR 43 0.840 -4.156 -20.434 -22.731 -99.200 -91.000 PHE 58 1.000 3.771 -22.718 -21.043 -99.200 -91.000 PHE 60 1.000 8.881 -21.482 -17.471 -99.200 -91.000 PHE 74 1.000 13.103 -13.285 -15.084 -99.200 -91.000 TRP 76 1.040 5.848 -13.141 -21.784 -99.200 -91.000 TRP6 76 1.020 6.393 -12.420 -19.592 -99.200 -91.000 PHE 79 1.000 1.027 -15.639 -34.465 -99.200 -91.000 TYR 80 0.840 -2.552 -13.894 -26.993 -99.200 -91.000 PHE 84 1.000 -6.353 -16.602 -26.954 -99.200 -91.000 PHE 86 1.000 -6.556 -11.419 -26.477 -99.200 -91.000 HIS 92 0.900 0.914 -13.263 -21.100 -99.200 -91.000 PHE 96 1.000 5.186 -15.487 -7.435 -99.200 -91.000 HIS 99 0.900 10.176 -17.113 3.454 -99.200 -91.000 TYR 105 0.840 -9.282 -14.526 -4.327 -99.200 -91.000 HIS 107 0.900 -2.596 -10.851 -0.387 -99.200 -91.000 TRP 118 1.040 -5.713 -12.580 -21.381 -99.200 -91.000 TRP6 118 1.020 -4.830 -14.671 -20.710 -99.200 -91.000 TYR 127 0.840 -3.606 -9.826 -10.378 -99.200 -91.000 TYR 129 0.840 -2.120 -11.921 -5.084 -99.200 -91.000 HIS 146 0.900 -8.913 -9.635 -7.109 -99.200 -91.000 PHE 150 1.000 -0.877 -0.700 -8.930 -99.200 -91.000 PHE 151 1.000 1.785 0.272 -15.022 -99.200 -91.000 PHE 155 1.000 1.088 -1.127 -21.054 -99.200 -91.000 TYR 161 0.840 -7.217 -11.097 -32.215 -99.200 -91.000 TRP 164 1.040 5.892 -14.280 -33.542 -99.200 -91.000 TRP6 164 1.020 5.512 -15.971 -31.947 -99.200 -91.000 PHE 176 1.000 14.908 -3.620 2.729 -99.200 -91.000 TYR 188 0.840 11.077 -2.000 -16.750 -99.200 -91.000 TRP 203 1.040 8.788 -4.429 -5.459 -99.200 -91.000 TRP6 203 1.020 6.852 -5.560 -6.213 -99.200 -91.000 PHE 214 1.000 9.528 -15.749 -15.748 -99.200 -91.000 TRP 216 1.040 4.692 -19.317 -18.383 -99.200 -91.000 TRP6 216 1.020 4.649 -17.125 -19.290 -99.200 -91.000 PHE 219 1.000 -3.967 -18.727 -13.739 -99.200 -91.000 PHE 220 1.000 -8.505 -17.646 -21.582 -99.200 -91.000 TYR 233 0.840 0.946 -21.259 -31.800 -99.200 -91.000 PHE 234 1.000 2.356 -17.468 -23.798 -99.200 -91.000 PHE 237 1.000 8.596 -18.017 -22.144 -99.200 -91.000 TYR 242 0.840 14.088 -1.831 -12.939 -99.200 -91.000