============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 2 1.000 20.771 18.286 1.469 -99.200 -91.000 TRP 12 1.040 -2.827 -3.058 22.105 -99.200 -91.000 TRP6 12 1.020 -3.508 -5.266 21.690 -99.200 -91.000 PHE 13 1.000 2.438 -6.551 26.674 -99.200 -91.000 HIS 18 0.900 1.473 -13.077 28.984 -99.200 -91.000 TYR 42 0.840 15.615 -3.309 3.330 -99.200 -91.000 TYR 46 0.840 18.062 -7.471 14.075 -99.200 -91.000 PHE 47 1.000 10.829 -7.076 21.815 -99.200 -91.000 TRP 70 1.040 7.368 -0.808 3.344 -99.200 -91.000 TRP6 70 1.020 8.091 1.229 4.325 -99.200 -91.000 PHE 74 1.000 7.304 -6.124 10.549 -99.200 -91.000 TYR 76 0.840 9.347 -8.256 17.150 -99.200 -91.000 HIS 80 0.900 6.217 -13.085 29.646 -99.200 -91.000 PHE 84 1.000 6.255 -3.679 27.917 -99.200 -91.000 TRP 94 1.040 18.223 -0.842 6.390 -99.200 -91.000 TRP6 94 1.020 20.554 -0.449 6.790 -99.200 -91.000 PHE 99 1.000 21.202 4.223 9.114 -99.200 -91.000 HIS 117 0.900 1.049 8.180 18.287 -99.200 -91.000 TRP 118 1.040 2.987 10.810 10.560 -99.200 -91.000 TRP6 118 1.020 3.799 9.669 8.643 -99.200 -91.000 TYR 119 0.840 7.394 6.771 16.643 -99.200 -91.000