============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. TRP 5 1.040 48.308 42.582 69.207 -99.200 -91.000 TRP6 5 1.020 46.524 43.766 68.201 -99.200 -91.000 TYR 19 0.840 33.524 36.804 57.747 -99.200 -91.000 TYR 20 0.840 35.301 31.995 57.286 -99.200 -91.000 TYR 29 0.840 33.415 43.022 73.317 -99.200 -91.000 PHE 41 1.000 29.577 64.851 74.466 -99.200 -91.000