============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. TYR 3 0.840 46.624 38.951 -0.084 -99.200 -91.000 PHE 6 1.000 46.701 48.229 8.939 -99.200 -91.000 TRP 12 1.040 49.392 52.557 9.854 -99.200 -91.000 TRP6 12 1.020 50.116 54.445 11.107 -99.200 -91.000 TYR 21 0.840 59.520 56.704 14.516 -99.200 -91.000 PHE 25 1.000 52.448 57.453 15.610 -99.200 -91.000 PHE 30 1.000 48.761 61.951 18.081 -99.200 -91.000 PHE 33 1.000 44.298 52.270 12.537 -99.200 -91.000 HIS 54 0.900 62.439 56.382 9.971 -99.200 -91.000