============================================================================= 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 9.699 -1.917 34.197 -99.200 -91.000 TRP6 6 1.020 12.038 -2.189 34.003 -99.200 -91.000 TRP 42 1.040 -15.717 -0.854 4.063 -99.200 -91.000 TRP6 42 1.020 -14.222 -1.629 2.402 -99.200 -91.000 PHE 53 1.000 3.970 -0.197 2.062 -99.200 -91.000 TYR 59 0.840 -15.003 0.805 8.920 -99.200 -91.000 HIS 69 0.900 -8.408 9.419 30.036 -99.200 -91.000 PHE 99 1.000 13.368 10.435 27.705 -99.200 -91.000