============================================================================= 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. TYR 10 0.840 -24.403 -15.056 3.379 -99.200 -91.000 HIS 13 0.900 -12.986 -17.203 4.902 -99.200 -91.000 PHE 22 1.000 -15.674 -13.275 10.737 -99.200 -91.000 TYR 26 0.840 -28.687 -9.059 2.201 -99.200 -91.000 PHE 30 1.000 -36.495 -5.854 6.969 -99.200 -91.000 HIS 31 0.900 -41.350 -0.238 4.027 -99.200 -91.000 HIS 51 0.900 -26.979 -4.347 14.473 -99.200 -91.000 PHE 56 1.000 -33.468 3.622 2.378 -99.200 -91.000 TRP 60 1.040 -38.456 4.025 -2.097 -99.200 -91.000 TRP6 60 1.020 -37.075 5.757 -1.256 -99.200 -91.000 PHE 62 1.000 -36.940 -0.057 5.835 -99.200 -91.000 TYR 63 0.840 -29.461 -3.445 2.309 -99.200 -91.000 TYR 66 0.840 -28.754 -8.779 13.524 -99.200 -91.000 TYR 67 0.840 -20.665 -8.722 11.284 -99.200 -91.000 PHE 70 1.000 -19.742 -20.496 12.041 -99.200 -91.000 TYR 78 0.840 -23.131 -22.462 14.671 -99.200 -91.000 HIS 84 0.900 -41.286 -7.504 8.809 -99.200 -91.000 TRP 95 1.040 -24.415 -22.473 7.589 -99.200 -91.000 TRP6 95 1.020 -22.714 -23.664 8.716 -99.200 -91.000