============================================================================= 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. TYR 2 0.840 34.148 -89.458 31.326 -99.200 -91.000 PHE 9 1.000 17.519 -83.297 23.803 -99.200 -91.000 HIS 14 0.900 19.060 -75.709 18.163 -99.200 -91.000 PHE 16 1.000 24.138 -75.347 23.644 -99.200 -91.000 TYR 20 0.840 29.014 -75.988 20.702 -99.200 -91.000 HIS 68 0.900 30.257-102.854 -3.407 -99.200 -91.000 PHE 73 1.000 37.704 -87.268 6.237 -99.200 -91.000 HIS 94 0.900 25.356-107.290 3.763 -99.200 -91.000 TYR 106 0.840 23.414-103.230 6.008 -99.200 -91.000 TYR 110 0.840 28.136-100.482 10.691 -99.200 -91.000 TYR 118 0.840 30.955 -93.502 18.860 -99.200 -91.000 PHE 127 1.000 32.436 -91.389 15.410 -99.200 -91.000 PHE 136 1.000 27.666 -97.497 -10.304 -99.200 -91.000 TYR 145 0.840 21.842 -93.334 -0.087 -99.200 -91.000 TYR 153 0.840 20.083 -92.970 6.667 -99.200 -91.000 TRP 156 1.040 22.283 -84.974 -0.147 -99.200 -91.000 TRP6 156 1.020 21.200 -82.893 0.009 -99.200 -91.000 PHE 171 1.000 29.125 -74.403 -10.334 -99.200 -91.000 TYR 176 0.840 22.743 -83.150 -11.059 -99.200 -91.000 TYR 229 0.840 38.336 -83.439 -17.181 -99.200 -91.000