============================================================================= 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 14.587 32.180 33.996 -99.200 -91.000 TRP6 6 1.020 14.906 30.202 35.238 -99.200 -91.000 TRP 42 1.040 40.971 28.728 4.303 -99.200 -91.000 TRP6 42 1.020 39.607 29.550 2.540 -99.200 -91.000 PHE 53 1.000 21.688 28.521 2.194 -99.200 -91.000 TYR 59 0.840 40.014 27.630 8.967 -99.200 -91.000 HIS 69 0.900 33.697 20.074 30.141 -99.200 -91.000 PHE 99 1.000 11.800 18.542 28.258 -99.200 -91.000