============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 17 0.840 3.563 12.511 7.303 -99.200 -91.000 TYR 18 0.840 0.397 6.602 1.714 -99.200 -91.000 TRP 22 1.040 2.512 11.653 12.184 -99.200 -91.000 TRP6 22 1.020 4.254 10.046 12.003 -99.200 -91.000 TRP 30 1.040 1.773 -5.601 14.000 -99.200 -91.000 TRP6 30 1.020 2.926 -4.217 12.454 -99.200 -91.000 PHE 38 1.000 6.274 0.997 13.684 -99.200 -91.000 TYR 44 0.840 13.005 0.654 20.827 -99.200 -91.000 TYR 53 0.840 -0.846 -0.060 22.669 -99.200 -91.000 TRP 61 1.040 -2.151 6.767 6.606 -99.200 -91.000 TRP6 61 1.020 -3.869 7.569 5.158 -99.200 -91.000 TRP 75 1.040 6.995 3.826 2.707 -99.200 -91.000 TRP6 75 1.020 6.771 4.422 4.989 -99.200 -91.000 TRP 82 1.040 0.963 3.078 0.978 -99.200 -91.000 TRP6 82 1.020 1.866 3.225 3.159 -99.200 -91.000 HIS 85 0.900 -9.473 0.419 6.938 -99.200 -91.000 HIS 89 0.900 -8.333 4.384 14.039 -99.200 -91.000