============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. TRP 6 1.040 63.002 36.572 2.768 -99.200 -91.000 TRP6 6 1.020 61.589 37.502 4.396 -99.200 -91.000 TRP 42 1.040 68.918 -1.819 -2.476 -99.200 -91.000 TRP6 42 1.020 67.046 -2.255 -1.088 -99.200 -91.000 TYR 59 0.840 70.951 2.773 -3.273 -99.200 -91.000 HIS 69 0.900 80.913 24.806 -1.549 -99.200 -91.000 PHE 99 1.000 69.406 32.874 14.745 -99.200 -91.000