============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. HIS 6 0.900 -21.391 0.183 -2.665 -99.200 -91.000 PHE 12 1.000 -21.961 11.933 4.319 -99.200 -91.000 PHE 27 1.000 -28.179 10.586 3.714 -99.200 -91.000 TRP 28 1.040 -29.081 2.387 0.884 -99.200 -91.000 TRP6 28 1.020 -29.437 0.054 0.798 -99.200 -91.000 TRP 31 1.040 -35.733 -1.099 7.187 -99.200 -91.000 TRP6 31 1.020 -37.096 0.820 6.832 -99.200 -91.000 TYR 49 0.840 -27.070 12.517 -14.932 -99.200 -91.000 TYR 70 0.840 -25.591 15.913 5.970 -99.200 -91.000 PHE 81 1.000 -24.217 16.029 0.661 -99.200 -91.000 PHE 102 1.000 -32.985 16.288 -6.994 -99.200 -91.000