============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 3 1.000 7.161 23.382 22.631 -99.200 -91.000 TYR 20 0.840 20.050 21.731 35.854 -99.200 -91.000 TRP 28 1.040 19.132 19.991 28.397 -99.200 -91.000 TRP6 28 1.020 18.340 18.298 29.851 -99.200 -91.000 TRP 34 1.040 17.038 11.399 17.649 -99.200 -91.000 TRP6 34 1.020 16.370 10.210 15.709 -99.200 -91.000 TYR 38 0.840 12.007 18.638 18.262 -99.200 -91.000 TYR 45 0.840 1.526 -0.654 29.797 -99.200 -91.000 TYR 54 0.840 2.790 9.221 32.046 -99.200 -91.000 PHE 57 1.000 12.653 17.320 28.060 -99.200 -91.000 TYR 63 0.840 13.217 3.891 37.886 -99.200 -91.000 TRP 64 1.040 12.854 9.515 36.603 -99.200 -91.000 TRP6 64 1.020 14.480 10.407 38.091 -99.200 -91.000 HIS 78 0.900 9.064 17.801 44.175 -99.200 -91.000 TRP 109 1.040 15.361 10.751 29.254 -99.200 -91.000 TRP6 109 1.020 16.287 12.495 30.549 -99.200 -91.000 TRP 112 1.040 22.157 12.420 25.285 -99.200 -91.000 TRP6 112 1.020 24.222 11.641 26.102 -99.200 -91.000 TYR 124 0.840 19.282 17.218 16.826 -99.200 -91.000