============================================================================= 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 32 0.900 -10.393 24.834 -14.436 -99.200 -91.000 TRP 36 1.040 -1.144 13.904 -10.149 -99.200 -91.000 TRP6 36 1.020 -0.477 14.699 -8.024 -99.200 -91.000 PHE 37 1.000 2.748 18.712 -16.242 -99.200 -91.000 PHE 47 1.000 1.157 14.281 -19.191 -99.200 -91.000 TRP 53 1.040 -12.321 19.531 -11.906 -99.200 -91.000 TRP6 53 1.020 -11.396 18.127 -10.236 -99.200 -91.000 TYR 60 0.840 -2.437 7.108 -17.055 -99.200 -91.000 PHE 68 1.000 3.830 6.376 -11.449 -99.200 -91.000 TYR 80 0.840 -7.957 11.111 -4.592 -99.200 -91.000 TYR 94 0.840 6.276 11.943 -8.923 -99.200 -91.000 TYR 95 0.840 6.787 20.651 -8.762 -99.200 -91.000 TRP 100 1.040 -10.806 27.978 -18.328 -99.200 -91.000 TRP6 100 1.020 -11.143 28.677 -20.561 -99.200 -91.000 TYR 105 0.840 -17.037 15.079 -30.630 -99.200 -91.000 TYR 114 0.840 -1.854 20.575 -17.386 -99.200 -91.000 TYR 116 0.840 -4.999 28.133 -13.203 -99.200 -91.000 TRP 117 1.040 2.381 25.101 -12.883 -99.200 -91.000 TRP6 117 1.020 3.103 23.007 -13.718 -99.200 -91.000