============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. TRP 6 1.040 25.021 11.178 19.094 -99.200 -91.000 TRP6 6 1.020 27.334 11.376 18.660 -99.200 -91.000 TRP 42 1.040 -0.932 40.852 13.852 -99.200 -91.000 TRP6 42 1.020 0.467 42.118 12.441 -99.200 -91.000 PHE 53 1.000 18.226 42.098 11.647 -99.200 -91.000 TYR 59 0.840 -0.031 36.491 15.977 -99.200 -91.000 HIS 69 0.900 7.333 18.593 29.643 -99.200 -91.000 PHE 99 1.000 29.055 21.733 29.297 -99.200 -91.000