============================================================================= 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 2 1.000 -15.431 -17.241 10.464 -99.200 -91.000 PHE 5 1.000 -15.630 -0.844 7.604 -99.200 -91.000 PHE 22 1.000 -16.486 -4.011 19.183 -99.200 -91.000 PHE 25 1.000 -18.989 -7.939 23.031 -99.200 -91.000 TYR 28 0.840 -10.503 -8.455 21.135 -99.200 -91.000 HIS 32 0.900 -5.084 -4.309 14.054 -99.200 -91.000 TRP 35 1.040 -3.012 4.609 11.373 -99.200 -91.000 TRP6 35 1.020 -0.941 5.465 10.598 -99.200 -91.000 TYR 45 0.840 -12.454 2.972 7.233 -99.200 -91.000 PHE 47 1.000 -10.900 -3.568 8.656 -99.200 -91.000 PHE 50 1.000 -15.263 -10.790 17.650 -99.200 -91.000 TRP 77 1.040 -21.148 -10.515 8.730 -99.200 -91.000 TRP6 77 1.020 -19.931 -11.705 10.373 -99.200 -91.000