============================================================================= 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. PHE 7 1.000 5.435 9.291 -10.575 -99.200 -91.000 PHE 9 1.000 2.474 12.011 -0.740 -99.200 -91.000 PHE 19 1.000 7.341 14.407 -2.854 -99.200 -91.000 HIS 26 0.900 18.632 17.297 1.006 -99.200 -91.000 TRP 35 1.040 3.644 4.921 3.589 -99.200 -91.000 TRP6 35 1.020 2.791 6.929 2.681 -99.200 -91.000 TRP 36 1.040 12.192 5.313 1.708 -99.200 -91.000 TRP6 36 1.020 13.444 5.810 -0.235 -99.200 -91.000 HIS 40 0.900 10.786 20.610 -1.140 -99.200 -91.000 TRP 46 1.040 6.780 9.193 8.263 -99.200 -91.000 TRP6 46 1.020 8.236 7.329 8.142 -99.200 -91.000 PHE 47 1.000 9.770 10.870 0.745 -99.200 -91.000 TYR 51 0.840 3.617 9.058 -5.497 -99.200 -91.000