============================================================================= 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. TRP 9 1.040 22.994 0.806 89.890 -99.200 -91.000 TRP6 9 1.020 22.731 -0.815 91.614 -99.200 -91.000 TYR 10 0.840 25.822 -3.312 83.584 -99.200 -91.000 PHE 17 1.000 19.684 3.988 87.116 -99.200 -91.000 TYR 31 0.840 17.060 2.891 80.382 -99.200 -91.000 TYR 42 0.840 16.538 8.203 74.596 -99.200 -91.000 TYR 48 0.840 20.054 9.468 97.296 -99.200 -91.000 TRP 63 1.040 15.439 6.118 86.790 -99.200 -91.000 TRP6 63 1.020 15.725 4.284 88.253 -99.200 -91.000 TRP 67 1.040 11.412 6.953 77.158 -99.200 -91.000 TRP6 67 1.020 13.449 5.819 77.607 -99.200 -91.000 TYR 71 0.840 22.226 11.042 68.017 -99.200 -91.000 HIS 75 0.900 6.759 13.251 69.915 -99.200 -91.000 TRP 80 1.040 12.625 2.351 85.438 -99.200 -91.000 TRP6 80 1.020 13.108 3.851 83.662 -99.200 -91.000 TYR 84 0.840 21.470 0.463 97.439 -99.200 -91.000 TRP 96 1.040 9.023 -0.619 83.703 -99.200 -91.000 TRP6 96 1.020 7.522 -0.689 81.860 -99.200 -91.000 TRP 108 1.040 -8.287 3.861 74.398 -99.200 -91.000 TRP6 108 1.020 -7.313 1.810 73.715 -99.200 -91.000 HIS 115 0.900 8.049 -7.089 86.679 -99.200 -91.000 PHE 118 1.000 17.270 -0.857 86.308 -99.200 -91.000