============================================================================= 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. TYR 6 0.840 -14.186 -32.098 -22.747 -99.200 -91.000 PHE 35 1.000 -19.232 -22.786 -26.244 -99.200 -91.000 PHE 45 1.000 -19.757 -26.214 -39.086 -99.200 -91.000 TYR 47 0.840 -16.348 -23.358 -30.218 -99.200 -91.000 PHE 52 1.000 -9.617 -19.618 -24.979 -99.200 -91.000 HIS 53 0.900 -9.478 -14.816 -31.825 -99.200 -91.000 PHE 59 1.000 -13.006 -6.859 -22.667 -99.200 -91.000 PHE 66 1.000 -15.629 -23.306 -36.304 -99.200 -91.000 HIS 69 0.900 -7.886 -22.454 -38.050 -99.200 -91.000 TYR 78 0.840 -28.621 -22.702 -34.744 -99.200 -91.000 PHE 82 1.000 -26.508 -18.201 -33.448 -99.200 -91.000 PHE 87 1.000 -28.987 -8.540 -27.054 -99.200 -91.000 HIS 91 0.900 -22.055 -9.415 -21.469 -99.200 -91.000 PHE 111 1.000 -15.387 -19.744 -26.951 -99.200 -91.000 PHE 112 1.000 -17.488 -11.656 -24.589 -99.200 -91.000 TRP 120 1.040 -17.875 -2.493 -22.208 -99.200 -91.000 TRP6 120 1.020 -16.707 -3.095 -20.240 -99.200 -91.000 HIS 125 0.900 -20.669 -8.434 -27.822 -99.200 -91.000 PHE 128 1.000 -22.626 -18.983 -25.260 -99.200 -91.000 HIS 130 0.900 -22.739 -20.082 -14.698 -99.200 -91.000 PHE 144 1.000 -0.643 -18.395 -20.765 -99.200 -91.000