============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 2 1.000 6.731 44.509 66.051 -99.200 -91.000 HIS 8 0.900 10.086 44.687 85.011 -99.200 -91.000 TYR 11 0.840 -0.796 47.144 89.266 -99.200 -91.000 PHE 12 1.000 0.482 51.815 98.710 -99.200 -91.000 TRP 55 1.040 0.328 23.452 80.819 -99.200 -91.000 TRP6 55 1.020 1.302 25.596 81.084 -99.200 -91.000 TYR 63 0.840 8.726 28.295 74.947 -99.200 -91.000 PHE 75 1.000 22.868 29.750 59.835 -99.200 -91.000 HIS 79 0.900 23.484 32.600 56.986 -99.200 -91.000 PHE 92 1.000 17.692 20.735 68.951 -99.200 -91.000 TYR 99 0.840 21.468 28.276 77.396 -99.200 -91.000 HIS 114 0.900 -0.602 24.989 70.465 -99.200 -91.000 TYR 121 0.840 -5.017 41.571 77.166 -99.200 -91.000 PHE 122 1.000 -1.122 37.450 70.431 -99.200 -91.000 PHE 153 1.000 3.111 31.057 81.529 -99.200 -91.000 PHE 154 1.000 10.494 27.468 79.373 -99.200 -91.000 TYR 160 0.840 16.072 34.057 83.820 -99.200 -91.000 TYR 173 0.840 24.732 27.948 71.508 -99.200 -91.000 PHE 181 1.000 39.005 28.581 53.757 -99.200 -91.000