============================================================================= 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 41.516 15.297 7.301 -99.200 -91.000 TRP6 9 1.020 42.257 13.350 8.384 -99.200 -91.000 TYR 10 0.840 45.197 17.033 -0.294 -99.200 -91.000 PHE 17 1.000 36.911 16.092 4.938 -99.200 -91.000 TYR 31 0.840 35.515 15.954 -0.951 -99.200 -91.000 TYR 42 0.840 31.553 21.385 -5.958 -99.200 -91.000 TYR 48 0.840 33.136 16.070 16.528 -99.200 -91.000 TRP 63 1.040 32.305 14.782 4.290 -99.200 -91.000 TRP6 63 1.020 33.807 13.177 5.140 -99.200 -91.000 TRP 67 1.040 28.948 15.991 -5.567 -99.200 -91.000 TRP6 67 1.020 31.122 16.545 -4.904 -99.200 -91.000 TYR 71 0.840 33.018 29.608 -9.661 -99.200 -91.000 HIS 75 0.900 21.199 19.780 -11.757 -99.200 -91.000 TRP 80 1.040 32.985 10.910 1.188 -99.200 -91.000 TRP6 80 1.020 32.184 12.850 0.147 -99.200 -91.000 TYR 84 0.840 40.759 11.407 13.820 -99.200 -91.000 TRP 96 1.040 32.526 7.233 -1.933 -99.200 -91.000 TRP6 96 1.020 31.398 6.895 -3.988 -99.200 -91.000 TRP 108 1.040 16.568 1.448 -12.998 -99.200 -91.000 TRP6 108 1.020 18.551 0.315 -13.455 -99.200 -91.000 HIS 115 0.900 36.279 1.073 -1.442 -99.200 -91.000 PHE 118 1.000 38.486 11.596 2.362 -99.200 -91.000