============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 2 1.000 34.117 53.499 34.309 -99.200 -91.000 TYR 22 0.840 33.025 53.342 29.125 -99.200 -91.000 TYR 25 0.840 24.088 49.415 35.024 -99.200 -91.000 TYR 28 0.840 23.848 53.428 48.402 -99.200 -91.000 TYR 30 0.840 19.291 57.351 45.592 -99.200 -91.000 PHE 51 1.000 47.119 65.209 27.613 -99.200 -91.000 TYR 53 0.840 34.467 67.529 28.387 -99.200 -91.000 TYR 78 0.840 35.092 63.599 40.585 -99.200 -91.000 PHE 94 1.000 12.253 57.440 37.559 -99.200 -91.000 TYR 107 0.840 35.278 58.603 30.329 -99.200 -91.000 TYR 111 0.840 40.401 72.904 19.868 -99.200 -91.000 TYR 112 0.840 43.875 71.083 26.934 -99.200 -91.000