============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 8 1.040 9.835 52.670 14.599 -99.200 -91.000 TRP6 8 1.020 8.602 52.515 16.610 -99.200 -91.000 PHE 27 1.000 13.741 44.275 12.905 -99.200 -91.000 TYR 31 0.840 19.604 54.400 12.464 -99.200 -91.000 HIS 52 0.900 12.440 37.466 21.755 -99.200 -91.000 PHE 60 1.000 13.985 46.694 19.482 -99.200 -91.000 PHE 62 1.000 17.884 48.544 14.875 -99.200 -91.000 HIS 65 0.900 27.376 47.672 5.207 -99.200 -91.000 TRP 66 1.040 27.030 52.839 10.903 -99.200 -91.000 TRP6 66 1.020 24.961 53.968 11.045 -99.200 -91.000 PHE 68 1.000 27.785 57.013 7.035 -99.200 -91.000 PHE 75 1.000 20.836 51.655 17.043 -99.200 -91.000 PHE 80 1.000 9.534 48.884 27.881 -99.200 -91.000 TRP 93 1.040 23.723 53.917 20.598 -99.200 -91.000 TRP6 93 1.020 25.978 54.593 20.501 -99.200 -91.000 TYR 104 0.840 46.600 50.759 16.836 -99.200 -91.000 TRP 106 1.040 43.250 49.964 23.288 -99.200 -91.000 TRP6 106 1.020 42.602 51.988 24.298 -99.200 -91.000 TYR 113 0.840 20.427 58.144 25.991 -99.200 -91.000 PHE 116 1.000 15.549 54.380 17.540 -99.200 -91.000