============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 3 0.900 37.366 -6.156 31.018 -99.200 -91.000 TYR 4 0.840 38.225 -13.031 31.970 -99.200 -91.000 TRP 10 1.040 20.200 -19.641 28.826 -99.200 -91.000 TRP6 10 1.020 22.269 -20.785 28.675 -99.200 -91.000 TYR 18 0.840 42.879 -12.732 35.554 -99.200 -91.000 TYR 24 0.840 56.112 -11.176 31.583 -99.200 -91.000 PHE 35 1.000 51.699 -18.883 42.538 -99.200 -91.000 PHE 44 1.000 47.858 -1.201 50.395 -99.200 -91.000 TYR 54 0.840 50.375 1.560 36.915 -99.200 -91.000 PHE 86 1.000 24.052 -0.006 24.082 -99.200 -91.000 TYR 111 0.840 31.434 11.686 20.430 -99.200 -91.000 PHE 124 1.000 40.096 12.890 25.625 -99.200 -91.000 HIS 125 0.900 45.134 9.247 31.598 -99.200 -91.000 TRP 128 1.040 45.223 17.126 40.342 -99.200 -91.000 TRP6 128 1.020 46.082 15.806 42.098 -99.200 -91.000 PHE 138 1.000 50.550 7.971 12.562 -99.200 -91.000 TYR 153 0.840 43.407 20.793 28.174 -99.200 -91.000 PHE 178 1.000 24.726 -12.401 22.578 -99.200 -91.000 TYR 179 0.840 26.498 -6.722 15.746 -99.200 -91.000