============================================================================= 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. TYR 12 0.840 16.411 -0.545 69.678 -99.200 -91.000 TRP 40 1.040 29.752 16.407 77.467 -99.200 -91.000 TRP6 40 1.020 30.609 17.114 75.377 -99.200 -91.000 PHE 42 1.000 26.353 12.447 78.182 -99.200 -91.000 PHE 57 1.000 11.367 12.391 73.170 -99.200 -91.000 TYR 60 0.840 7.453 11.746 63.751 -99.200 -91.000 TRP 84 1.040 22.364 25.114 73.636 -99.200 -91.000 TRP6 84 1.020 21.081 23.151 73.828 -99.200 -91.000 TYR 100 0.840 34.720 -0.420 68.157 -99.200 -91.000 TRP 107 1.040 19.680 12.987 67.224 -99.200 -91.000 TRP6 107 1.020 21.698 13.865 66.376 -99.200 -91.000 PHE 123 1.000 14.003 11.924 82.301 -99.200 -91.000 PHE 132 1.000 21.157 17.802 70.887 -99.200 -91.000 TYR 139 0.840 23.531 -6.601 71.975 -99.200 -91.000 PHE 147 1.000 28.367 2.457 51.698 -99.200 -91.000 PHE 151 1.000 30.344 11.143 46.801 -99.200 -91.000 HIS 157 0.900 28.178 23.551 45.329 -99.200 -91.000 TYR 161 0.840 26.392 26.791 46.308 -99.200 -91.000