============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 5 0.840 -42.378 -10.024 -19.322 -99.200 -91.000 HIS 13 0.900 -32.517 -6.056 -10.303 -99.200 -91.000 PHE 22 1.000 -52.190 -12.685 -8.022 -99.200 -91.000 TYR 23 0.840 -48.534 -9.644 -14.888 -99.200 -91.000 TYR 24 0.840 -45.410 -11.856 -7.113 -99.200 -91.000 TYR 27 0.840 -33.739 -2.385 -6.250 -99.200 -91.000 PHE 44 1.000 -45.498 6.067 -6.451 -99.200 -91.000 PHE 66 1.000 -41.327 6.664 2.587 -99.200 -91.000 TRP 70 1.040 -40.685 10.753 11.420 -99.200 -91.000 TRP6 70 1.020 -42.612 11.212 12.727 -99.200 -91.000 PHE 81 1.000 -50.496 4.521 -7.315 -99.200 -91.000 TYR 85 0.840 -56.165 6.232 -3.564 -99.200 -91.000 PHE 95 1.000 -33.130 3.152 0.540 -99.200 -91.000 HIS 97 0.900 -26.622 6.080 -4.043 -99.200 -91.000 HIS 98 0.900 -24.283 9.452 -2.403 -99.200 -91.000 PHE 106 1.000 -40.579 6.039 -2.352 -99.200 -91.000 TYR 113 0.840 -55.816 -10.708 -10.570 -99.200 -91.000 HIS 116 0.900 -52.334 -13.727 -18.212 -99.200 -91.000