============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 3 1.000 13.599 -13.956 13.730 -99.200 -91.000 PHE 15 1.000 12.430 -22.054 17.952 -99.200 -91.000 TRP 30 1.040 7.036 -22.363 22.879 -99.200 -91.000 TRP6 30 1.020 8.084 -21.138 21.157 -99.200 -91.000 TYR 38 0.840 2.245 -27.081 30.459 -99.200 -91.000 HIS 54 0.900 5.652 -36.628 19.780 -99.200 -91.000 TYR 57 0.840 9.931 -31.367 19.486 -99.200 -91.000 TYR 58 0.840 12.560 -38.008 28.280 -99.200 -91.000 HIS 62 0.900 16.939 -27.654 27.950 -99.200 -91.000 TYR 68 0.840 7.720 -16.737 30.456 -99.200 -91.000 TYR 83 0.840 9.825 -26.046 15.844 -99.200 -91.000 TYR 94 0.840 -4.724 -9.408 22.588 -99.200 -91.000 TYR 100 0.840 9.323 -18.021 16.909 -99.200 -91.000 TYR 105 0.840 21.424 -24.427 7.216 -99.200 -91.000