============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 8 1.040 15.951 5.754 15.232 -99.200 -91.000 TRP6 8 1.020 14.809 5.059 13.259 -99.200 -91.000 TYR 9 0.840 23.228 1.372 16.831 -99.200 -91.000 PHE 16 1.000 18.099 10.417 15.735 -99.200 -91.000 TYR 30 0.840 24.079 11.817 15.619 -99.200 -91.000 TYR 41 0.840 29.034 15.887 21.205 -99.200 -91.000 TYR 47 0.840 7.065 13.679 15.759 -99.200 -91.000 TRP 62 1.040 18.828 14.887 14.562 -99.200 -91.000 TRP6 62 1.020 17.951 13.358 13.010 -99.200 -91.000 TRP 66 1.040 28.496 18.400 15.946 -99.200 -91.000 TRP6 66 1.020 28.021 16.147 16.388 -99.200 -91.000 TYR 70 0.840 32.252 14.158 29.436 -99.200 -91.000 HIS 74 0.900 34.667 26.333 19.767 -99.200 -91.000 TRP 79 1.040 21.888 14.244 10.780 -99.200 -91.000 TRP6 79 1.020 22.980 15.079 12.709 -99.200 -91.000 TYR 83 0.840 9.182 6.489 11.222 -99.200 -91.000 TRP 95 1.040 25.038 14.744 7.167 -99.200 -91.000 TRP6 95 1.020 27.111 15.842 6.823 -99.200 -91.000 TRP 107 1.040 36.041 30.658 1.587 -99.200 -91.000 TRP6 107 1.020 36.698 28.622 0.554 -99.200 -91.000 HIS 114 0.900 24.592 10.781 0.985 -99.200 -91.000 PHE 117 1.000 20.745 8.916 11.379 -99.200 -91.000