============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 6 1.000 -0.107 32.426 20.074 -99.200 -91.000 PHE 14 1.000 1.854 25.759 26.626 -99.200 -91.000 PHE 19 1.000 5.146 39.589 31.863 -99.200 -91.000 PHE 40 1.000 -1.462 32.179 34.419 -99.200 -91.000 PHE 89 1.000 11.125 34.253 22.916 -99.200 -91.000 TYR 102 0.840 -4.753 46.712 21.122 -99.200 -91.000 TRP 111 1.040 7.402 25.743 21.417 -99.200 -91.000 TRP6 111 1.020 5.897 27.463 20.793 -99.200 -91.000