============================================================================= 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 6 1.000 5.555 -13.466 -7.691 -99.200 -91.000 PHE 12 1.000 14.457 -1.289 0.736 -99.200 -91.000 TYR 14 0.840 10.330 -8.368 7.345 -99.200 -91.000 TYR 18 0.840 5.122 -9.056 14.612 -99.200 -91.000 PHE 24 1.000 13.589 -10.753 2.992 -99.200 -91.000 TRP 40 1.040 1.857 -8.699 5.546 -99.200 -91.000 TRP6 40 1.020 3.931 -8.467 6.660 -99.200 -91.000 TYR 41 0.840 4.828 -10.758 -2.973 -99.200 -91.000 PHE 42 1.000 4.508 -19.369 3.432 -99.200 -91.000 TYR 45 0.840 16.093 -17.246 2.297 -99.200 -91.000 PHE 57 1.000 8.784 -12.528 1.175 -99.200 -91.000 PHE 61 1.000 11.105 -3.999 4.230 -99.200 -91.000