============================================================================= 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 10.092 15.863 5.233 -99.200 -91.000 TRP6 9 1.020 9.222 15.234 3.162 -99.200 -91.000 TYR 10 0.840 5.704 12.144 11.219 -99.200 -91.000 PHE 17 1.000 14.994 14.835 7.531 -99.200 -91.000 TYR 31 0.840 16.261 10.628 11.733 -99.200 -91.000 TYR 42 0.840 20.199 11.108 19.105 -99.200 -91.000 TYR 48 0.840 18.198 22.711 -0.581 -99.200 -91.000 TRP 63 1.040 19.424 13.505 7.262 -99.200 -91.000 TRP6 63 1.020 17.875 12.999 5.567 -99.200 -91.000 TRP 67 1.040 22.905 7.565 15.174 -99.200 -91.000 TRP6 67 1.020 20.689 8.371 15.138 -99.200 -91.000 TYR 71 0.840 18.558 14.179 27.028 -99.200 -91.000 HIS 75 0.900 30.761 6.005 22.219 -99.200 -91.000 TRP 80 1.040 18.800 8.646 6.733 -99.200 -91.000 TRP6 80 1.020 19.702 9.340 8.810 -99.200 -91.000 TYR 84 0.840 10.955 17.502 -2.107 -99.200 -91.000 TRP 96 1.040 19.211 3.713 6.328 -99.200 -91.000 TRP6 96 1.020 20.294 2.089 7.698 -99.200 -91.000 TRP 108 1.040 35.318 -7.930 10.313 -99.200 -91.000 TRP6 108 1.020 33.327 -9.005 9.708 -99.200 -91.000 HIS 115 0.900 14.959 0.082 1.666 -99.200 -91.000 PHE 118 1.000 13.387 9.707 6.277 -99.200 -91.000