============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 7 1.000 60.367 45.505 -18.930 -99.200 -91.000 PHE 16 1.000 67.113 46.414 -8.525 -99.200 -91.000 TRP 19 1.040 68.033 33.658 -3.911 -99.200 -91.000 TRP6 19 1.020 65.917 32.595 -3.802 -99.200 -91.000 PHE 29 1.000 56.092 40.832 -17.385 -99.200 -91.000 PHE 31 1.000 53.600 35.532 -21.440 -99.200 -91.000 PHE 33 1.000 45.367 42.245 -17.579 -99.200 -91.000 TYR 48 0.840 68.538 33.212 -20.455 -99.200 -91.000 PHE 49 1.000 70.471 28.055 -25.739 -99.200 -91.000 TYR 56 0.840 65.455 24.581 -17.414 -99.200 -91.000 PHE 72 1.000 80.839 24.065 -11.347 -99.200 -91.000 TYR 84 0.840 63.094 29.440 -11.705 -99.200 -91.000 PHE 105 1.000 60.123 33.746 -3.140 -99.200 -91.000 PHE 111 1.000 63.546 45.051 -0.233 -99.200 -91.000 PHE 130 1.000 60.900 48.932 -14.555 -99.200 -91.000 TYR 145 0.840 56.934 44.208 -13.767 -99.200 -91.000 TYR 166 0.840 68.394 51.908 -24.181 -99.200 -91.000 PHE 175 1.000 71.269 48.377 -17.298 -99.200 -91.000 PHE 180 1.000 69.373 40.682 -22.429 -99.200 -91.000 TYR 195 0.840 75.973 36.553 -26.679 -99.200 -91.000 TRP 196 1.040 74.909 33.646 -21.482 -99.200 -91.000 TRP6 196 1.020 73.008 34.960 -21.978 -99.200 -91.000 HIS 199 0.900 86.968 35.304 -17.285 -99.200 -91.000 TYR 246 0.840 71.630 35.802 -14.142 -99.200 -91.000 TRP 251 1.040 55.671 39.526 -26.981 -99.200 -91.000 TRP6 251 1.020 54.268 40.331 -25.265 -99.200 -91.000