============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. TRP 22 1.040 13.754 -0.935 20.754 -99.200 -91.000 TRP6 22 1.020 13.734 0.539 18.896 -99.200 -91.000 HIS 48 0.900 -0.003 2.992 33.146 -99.200 -91.000 PHE 66 1.000 16.970 1.989 10.619 -99.200 -91.000 PHE 90 1.000 6.343 -3.478 8.293 -99.200 -91.000 PHE 91 1.000 8.492 0.555 0.918 -99.200 -91.000 PHE 103 1.000 -2.253 6.769 2.732 -99.200 -91.000 PHE 104 1.000 -0.053 11.354 -2.943 -99.200 -91.000 TRP 113 1.040 3.740 15.253 -3.604 -99.200 -91.000 TRP6 113 1.020 5.179 13.498 -2.976 -99.200 -91.000