============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 5 1.000 25.066 0.364 48.606 -99.200 -91.000 PHE 14 1.000 30.294 2.960 58.457 -99.200 -91.000 TYR 21 0.840 19.462 9.861 61.735 -99.200 -91.000 PHE 39 1.000 16.519 27.452 73.771 -99.200 -91.000 PHE 43 1.000 14.059 28.352 68.230 -99.200 -91.000 TRP 47 1.040 22.076 22.623 64.172 -99.200 -91.000 TRP6 47 1.020 21.991 24.816 65.065 -99.200 -91.000 PHE 56 1.000 23.878 11.371 62.878 -99.200 -91.000 TYR 81 0.840 23.432 39.305 64.287 -99.200 -91.000 TRP 106 1.040 17.014 35.234 49.076 -99.200 -91.000 TRP6 106 1.020 17.196 35.478 46.728 -99.200 -91.000 TYR 107 0.840 20.459 28.518 52.795 -99.200 -91.000 PHE 130 1.000 19.639 39.527 46.846 -99.200 -91.000