============================================================================= 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. TRP 10 1.040 28.420 -10.365 57.332 -99.200 -91.000 TRP6 10 1.020 27.538 -12.387 58.189 -99.200 -91.000 PHE 14 1.000 22.039 -9.051 63.755 -99.200 -91.000 HIS 15 0.900 23.239 -3.567 68.780 -99.200 -91.000 TRP 17 1.040 20.169 -4.219 58.418 -99.200 -91.000 TRP6 17 1.020 18.757 -6.069 58.817 -99.200 -91.000 TYR 20 0.840 20.739 2.425 61.892 -99.200 -91.000 HIS 22 0.900 15.662 2.464 67.325 -99.200 -91.000 TRP 23 1.040 11.240 1.811 58.478 -99.200 -91.000 TRP6 23 1.020 9.832 0.094 57.664 -99.200 -91.000 PHE 27 1.000 4.536 -0.092 57.690 -99.200 -91.000 HIS 29 0.900 3.990 3.118 67.975 -99.200 -91.000 TYR 30 0.840 4.086 9.330 61.530 -99.200 -91.000