============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 45.227 83.998 42.032 -99.200 -91.000 TYR 10 0.840 35.447 89.641 48.923 -99.200 -91.000 PHE 12 1.000 28.406 95.867 41.879 -99.200 -91.000 TRP 13 1.040 28.822 89.779 43.618 -99.200 -91.000 TRP6 13 1.020 26.527 89.725 43.166 -99.200 -91.000 PHE 15 1.000 27.787 100.011 45.903 -99.200 -91.000 TYR 21 0.840 21.200 97.307 56.625 -99.200 -91.000 TYR 22 0.840 20.899 104.547 51.236 -99.200 -91.000 TYR 32 0.840 8.178 98.820 57.434 -99.200 -91.000 PHE 48 1.000 16.517 94.538 55.136 -99.200 -91.000 PHE 56 1.000 11.493 114.556 53.008 -99.200 -91.000 HIS 60 0.900 5.100 127.792 48.534 -99.200 -91.000 PHE 88 1.000 -8.744 83.653 57.768 -99.200 -91.000 HIS 90 0.900 -9.144 92.748 59.311 -99.200 -91.000 TRP 106 1.040 -11.671 109.313 53.940 -99.200 -91.000 TRP6 106 1.020 -10.927 110.590 55.792 -99.200 -91.000 HIS 118 0.900 6.183 131.313 40.538 -99.200 -91.000 HIS 120 0.900 0.033 132.841 43.049 -99.200 -91.000 PHE 132 1.000 -3.868 127.452 32.676 -99.200 -91.000 HIS 133 0.900 -6.788 128.550 25.619 -99.200 -91.000 TRP 160 1.040 -12.806 122.604 39.748 -99.200 -91.000 TRP6 160 1.020 -12.405 123.347 41.941 -99.200 -91.000 PHE 170 1.000 -10.041 116.660 41.386 -99.200 -91.000 HIS 196 0.900 -21.024 105.470 31.297 -99.200 -91.000 PHE 205 1.000 -22.640 110.710 39.596 -99.200 -91.000 TYR 228 0.840 -18.860 108.491 47.357 -99.200 -91.000 TYR 235 0.840 -17.058 98.842 49.119 -99.200 -91.000