============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 6 1.000 20.931 7.481 2.276 -99.200 -91.000 TYR 8 0.840 16.923 17.981 3.405 -99.200 -91.000 TYR 14 0.840 33.706 12.543 7.388 -99.200 -91.000 PHE 17 1.000 42.412 10.265 5.187 -99.200 -91.000 TYR 46 0.840 32.926 3.744 -0.663 -99.200 -91.000 HIS 50 0.900 36.360 2.057 10.750 -99.200 -91.000 TRP 61 1.040 51.389 10.088 15.242 -99.200 -91.000 TRP6 61 1.020 49.030 10.270 15.174 -99.200 -91.000 TYR 79 0.840 23.284 3.557 2.316 -99.200 -91.000 PHE 86 1.000 12.104 9.270 6.935 -99.200 -91.000 TYR 109 0.840 33.387 10.844 -1.289 -99.200 -91.000 PHE 121 1.000 14.941 14.635 7.545 -99.200 -91.000