============================================================================= 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 9.993 53.395 14.539 -99.200 -91.000 TRP6 8 1.020 8.761 53.275 16.545 -99.200 -91.000 PHE 27 1.000 13.820 44.895 12.747 -99.200 -91.000 TYR 31 0.840 19.652 54.968 12.499 -99.200 -91.000 HIS 52 0.900 12.505 38.056 21.559 -99.200 -91.000 PHE 60 1.000 14.021 47.282 19.327 -99.200 -91.000 PHE 62 1.000 17.994 49.138 14.797 -99.200 -91.000 HIS 65 0.900 27.476 48.296 5.102 -99.200 -91.000 TRP 66 1.040 26.997 53.367 10.761 -99.200 -91.000 TRP6 66 1.020 24.950 54.542 10.913 -99.200 -91.000 PHE 68 1.000 27.840 57.668 6.938 -99.200 -91.000 PHE 75 1.000 21.011 52.264 16.950 -99.200 -91.000 PHE 80 1.000 9.451 49.559 27.612 -99.200 -91.000 TRP 93 1.040 23.794 54.477 20.504 -99.200 -91.000 TRP6 93 1.020 26.057 55.192 20.469 -99.200 -91.000 TYR 104 0.840 46.629 51.158 16.736 -99.200 -91.000 TRP 106 1.040 43.407 50.635 23.232 -99.200 -91.000 TRP6 106 1.020 42.802 52.786 23.999 -99.200 -91.000 TYR 113 0.840 20.455 58.787 25.930 -99.200 -91.000 PHE 116 1.000 15.615 55.070 17.466 -99.200 -91.000