============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 17 1.000 -9.354 17.966 39.492 -99.200 -91.000 TYR 20 0.840 -9.258 21.030 33.104 -99.200 -91.000 TYR 27 0.840 4.540 20.344 33.748 -99.200 -91.000 TRP 29 1.040 -2.700 9.745 32.739 -99.200 -91.000 TRP6 29 1.020 -2.354 9.402 35.061 -99.200 -91.000 PHE 46 1.000 -12.403 24.823 11.904 -99.200 -91.000 TYR 50 0.840 -10.682 30.161 10.234 -99.200 -91.000 PHE 54 1.000 -18.024 24.917 13.351 -99.200 -91.000 HIS 62 0.900 -34.221 19.536 7.296 -99.200 -91.000 TYR 69 0.840 -23.953 6.962 6.632 -99.200 -91.000 PHE 72 1.000 -20.194 11.382 9.567 -99.200 -91.000 PHE 80 1.000 -11.380 14.538 5.782 -99.200 -91.000 TRP 86 1.040 -1.672 16.874 10.791 -99.200 -91.000 TRP6 86 1.020 -2.507 14.989 11.881 -99.200 -91.000 PHE 92 1.000 -14.085 13.097 11.032 -99.200 -91.000 PHE 93 1.000 -11.635 14.157 15.604 -99.200 -91.000 PHE 95 1.000 -20.508 17.911 9.444 -99.200 -91.000 TRP 118 1.040 -23.156 6.831 11.461 -99.200 -91.000 TRP6 118 1.020 -24.818 8.523 11.485 -99.200 -91.000 TYR 122 0.840 -14.688 9.798 6.708 -99.200 -91.000 HIS 126 0.900 -13.876 7.048 4.428 -99.200 -91.000 TRP 130 1.040 -2.839 12.704 4.945 -99.200 -91.000 TRP6 130 1.020 -2.639 14.057 6.883 -99.200 -91.000 TRP 137 1.040 -4.496 11.074 15.827 -99.200 -91.000 TRP6 137 1.020 -5.670 13.100 15.536 -99.200 -91.000 PHE 140 1.000 -3.908 17.916 15.975 -99.200 -91.000