============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 28 1.000 14.948 4.093 42.137 -99.200 -91.000 TYR 31 0.840 11.228 -3.905 43.166 -99.200 -91.000 TRP 35 1.040 18.555 6.811 50.277 -99.200 -91.000 TRP6 35 1.020 20.669 6.750 49.227 -99.200 -91.000 PHE 36 1.000 17.950 -0.140 55.384 -99.200 -91.000 PHE 46 1.000 14.375 3.641 57.973 -99.200 -91.000 TYR 49 0.840 9.619 2.787 52.663 -99.200 -91.000 PHE 50 1.000 10.241 8.884 47.099 -99.200 -91.000 TYR 58 0.840 6.550 7.066 56.226 -99.200 -91.000 TYR 59 0.840 13.170 11.940 55.850 -99.200 -91.000 PHE 67 1.000 21.535 12.739 56.744 -99.200 -91.000 TYR 79 0.840 18.218 13.366 42.885 -99.200 -91.000 TYR 93 0.840 25.188 7.892 54.678 -99.200 -91.000 TYR 94 0.840 25.948 -0.416 52.150 -99.200 -91.000 TYR 101 0.840 0.023 -1.769 50.827 -99.200 -91.000 TYR 105 0.840 8.722 2.770 57.489 -99.200 -91.000 TYR 110 0.840 14.215 -1.900 52.506 -99.200 -91.000 TYR 112 0.840 16.406 -7.473 43.429 -99.200 -91.000 TRP 113 1.040 20.060 -5.024 50.351 -99.200 -91.000 TRP6 113 1.020 19.909 -3.545 52.194 -99.200 -91.000