============================================================================= 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. PHE 2 1.000 16.340 20.999 25.100 -99.200 -91.000 TYR 5 0.840 29.791 24.217 30.938 -99.200 -91.000 PHE 6 1.000 23.636 30.336 33.468 -99.200 -91.000 TYR 18 0.840 21.927 22.318 47.183 -99.200 -91.000 PHE 46 1.000 20.750 18.588 21.963 -99.200 -91.000 PHE 53 1.000 27.756 35.834 25.503 -99.200 -91.000 TRP 55 1.040 34.105 39.990 23.622 -99.200 -91.000 TRP6 55 1.020 32.402 39.771 25.255 -99.200 -91.000 PHE 64 1.000 25.584 43.602 19.386 -99.200 -91.000 TYR 69 0.840 33.276 34.406 10.185 -99.200 -91.000 PHE 80 1.000 38.608 33.182 1.024 -99.200 -91.000 PHE 89 1.000 45.727 33.689 21.846 -99.200 -91.000 TYR 95 0.840 40.990 28.880 27.760 -99.200 -91.000 TRP 104 1.040 33.472 28.854 34.280 -99.200 -91.000 TRP6 104 1.020 31.883 30.283 33.278 -99.200 -91.000 HIS 105 0.900 28.837 25.406 39.678 -99.200 -91.000 HIS 125 0.900 -0.009 20.812 45.063 -99.200 -91.000 PHE 140 1.000 10.698 26.308 37.750 -99.200 -91.000 TYR 149 0.840 12.265 16.106 54.403 -99.200 -91.000 TYR 155 0.840 19.192 15.403 49.697 -99.200 -91.000