============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 21 0.900 8.881 -20.211 -27.080 -99.200 -91.000 PHE 23 1.000 3.930 -22.767 -24.371 -99.200 -91.000 TRP 31 1.040 -0.200 -24.327 -19.915 -99.200 -91.000 TRP6 31 1.020 -1.998 -23.083 -20.799 -99.200 -91.000 PHE 34 1.000 -2.100 -22.062 -31.925 -99.200 -91.000 HIS 46 0.900 2.163 -7.782 -37.277 -99.200 -91.000 PHE 54 1.000 -6.427 -17.604 -31.587 -99.200 -91.000 TYR 59 0.840 -5.532 -20.555 -28.308 -99.200 -91.000 TYR 68 0.840 13.883 -5.995 -24.023 -99.200 -91.000 TRP 69 1.040 13.586 -6.411 -18.517 -99.200 -91.000 TRP6 69 1.020 13.608 -4.160 -19.187 -99.200 -91.000 PHE 77 1.000 9.906 -9.894 -8.720 -99.200 -91.000 HIS 78 0.900 7.768 -9.539 -13.120 -99.200 -91.000 HIS 80 0.900 7.415 -17.260 -17.459 -99.200 -91.000 PHE 85 1.000 -5.613 -15.143 -25.362 -99.200 -91.000 TYR 95 0.840 -9.155 -13.028 -29.657 -99.200 -91.000 TYR 104 0.840 13.110 -5.276 -9.398 -99.200 -91.000 TYR 106 0.840 4.064 -8.958 -16.378 -99.200 -91.000