============================================================================= 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. HIS 2 0.900 14.058 -1.757 15.401 -99.200 -91.000 PHE 8 1.000 13.850 -1.428 -5.557 -99.200 -91.000 HIS 31 0.900 12.653 16.238 14.331 -99.200 -91.000 TRP 51 1.040 9.074 -1.265 -2.746 -99.200 -91.000 TRP6 51 1.020 10.686 -1.006 -1.046 -99.200 -91.000 TRP 55 1.040 1.753 -0.316 -2.811 -99.200 -91.000 TRP6 55 1.020 2.279 1.978 -2.995 -99.200 -91.000 TYR 72 0.840 7.110 4.272 -4.459 -99.200 -91.000