============================================================================= 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 9 1.040 10.111 15.913 5.404 -99.200 -91.000 TRP6 9 1.020 9.186 15.305 3.359 -99.200 -91.000 TYR 10 0.840 5.462 12.440 11.040 -99.200 -91.000 PHE 17 1.000 14.713 14.671 7.742 -99.200 -91.000 TYR 31 0.840 16.184 10.663 12.062 -99.200 -91.000 TYR 42 0.840 19.955 11.179 19.305 -99.200 -91.000 TYR 48 0.840 17.992 22.643 -0.797 -99.200 -91.000 TRP 63 1.040 19.288 13.482 7.197 -99.200 -91.000 TRP6 63 1.020 17.729 13.016 5.489 -99.200 -91.000 TRP 67 1.040 22.866 7.594 15.144 -99.200 -91.000 TRP6 67 1.020 20.638 8.382 15.068 -99.200 -91.000 TYR 71 0.840 19.094 14.637 28.177 -99.200 -91.000 HIS 75 0.900 30.709 6.106 22.148 -99.200 -91.000 TRP 80 1.040 18.643 8.607 6.720 -99.200 -91.000 TRP6 80 1.020 19.492 9.282 8.823 -99.200 -91.000 TYR 84 0.840 10.852 17.605 -2.170 -99.200 -91.000 TRP 96 1.040 19.161 3.751 6.396 -99.200 -91.000 TRP6 96 1.020 20.245 2.093 7.659 -99.200 -91.000 TRP 108 1.040 35.159 -7.812 10.212 -99.200 -91.000 TRP6 108 1.020 33.260 -8.997 9.488 -99.200 -91.000 HIS 115 0.900 15.192 -0.274 1.845 -99.200 -91.000 PHE 118 1.000 13.201 9.606 6.495 -99.200 -91.000