============================================================================= 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 4 1.000 38.200 2.910 17.191 -99.200 -91.000 TYR 18 0.840 43.716 20.181 15.456 -99.200 -91.000 TYR 24 0.840 34.150 25.649 11.523 -99.200 -91.000 TYR 25 0.840 39.597 28.364 18.043 -99.200 -91.000 HIS 31 0.900 35.625 16.167 20.558 -99.200 -91.000 PHE 67 1.000 39.835 8.012 16.810 -99.200 -91.000 TYR 88 0.840 27.474 0.690 9.090 -99.200 -91.000 PHE 104 1.000 35.980 11.301 13.691 -99.200 -91.000 PHE 114 1.000 28.392 13.941 -0.287 -99.200 -91.000 TRP 126 1.040 31.327 -1.644 -5.970 -99.200 -91.000 TRP6 126 1.020 30.149 -1.131 -3.978 -99.200 -91.000 TRP 138 1.040 34.593 14.897 1.493 -99.200 -91.000 TRP6 138 1.020 34.355 12.846 0.318 -99.200 -91.000 TYR 139 0.840 38.010 15.187 -5.850 -99.200 -91.000 PHE 153 1.000 32.205 5.036 0.442 -99.200 -91.000 TRP 158 1.040 41.349 -2.014 4.993 -99.200 -91.000 TRP6 158 1.020 40.218 -0.121 5.879 -99.200 -91.000 TYR 161 0.840 42.667 5.378 4.284 -99.200 -91.000