============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 5 1.000 -9.580 15.413 50.404 -99.200 -91.000 PHE 10 1.000 -10.514 10.100 54.904 -99.200 -91.000 TRP 17 1.040 -7.655 7.795 45.243 -99.200 -91.000 TRP6 17 1.020 -6.548 8.505 47.199 -99.200 -91.000 TRP 26 1.040 5.404 -0.765 51.398 -99.200 -91.000 TRP6 26 1.020 6.974 0.569 50.246 -99.200 -91.000 HIS 37 0.900 3.247 19.086 53.196 -99.200 -91.000 PHE 42 1.000 -6.232 14.731 47.720 -99.200 -91.000 TYR 58 0.840 7.042 24.280 44.426 -99.200 -91.000 HIS 61 0.900 14.955 21.980 42.597 -99.200 -91.000 TYR 66 0.840 3.381 11.476 44.804 -99.200 -91.000 TYR 67 0.840 -2.983 7.573 46.401 -99.200 -91.000 HIS 71 0.900 -16.790 5.486 38.268 -99.200 -91.000 PHE 74 1.000 -18.873 9.941 35.675 -99.200 -91.000 TYR 112 0.840 1.538 11.037 33.127 -99.200 -91.000 TYR 117 0.840 4.002 15.716 32.250 -99.200 -91.000 HIS 119 0.900 12.754 7.295 30.196 -99.200 -91.000 TYR 135 0.840 -4.696 -0.424 52.709 -99.200 -91.000