============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 2 1.000 23.542 24.001 -15.598 -99.200 -91.000 PHE 6 1.000 10.533 10.891 -12.675 -99.200 -91.000 HIS 13 0.900 0.085 -7.590 -1.144 -99.200 -91.000 PHE 24 1.000 4.643 5.362 -9.269 -99.200 -91.000 TYR 35 0.840 7.714 10.812 -8.002 -99.200 -91.000 PHE 42 1.000 9.333 16.474 -13.428 -99.200 -91.000 TYR 50 0.840 11.500 17.478 -18.155 -99.200 -91.000 TYR 51 0.840 8.973 8.424 -23.140 -99.200 -91.000 PHE 52 1.000 7.123 13.718 -17.289 -99.200 -91.000 TYR 54 0.840 1.291 4.453 -16.759 -99.200 -91.000 HIS 55 0.900 6.410 0.061 -19.028 -99.200 -91.000 HIS 58 0.900 -3.847 -4.104 -14.302 -99.200 -91.000 TYR 67 0.840 -5.106 14.586 -13.231 -99.200 -91.000 PHE 76 1.000 -2.416 5.785 -22.195 -99.200 -91.000 HIS 79 0.900 -11.849 -2.750 -17.705 -99.200 -91.000 TRP 102 1.040 -1.021 14.473 -10.055 -99.200 -91.000 TRP6 102 1.020 -1.052 16.823 -10.347 -99.200 -91.000 TYR 108 0.840 -12.975 0.209 -13.467 -99.200 -91.000 TYR 109 0.840 -9.254 0.470 -5.540 -99.200 -91.000 PHE 121 1.000 5.682 9.107 -13.415 -99.200 -91.000 PHE 124 1.000 13.925 9.328 -20.580 -99.200 -91.000 PHE 127 1.000 14.932 16.943 -28.166 -99.200 -91.000