============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 7 1.000 11.398 32.860 54.101 -99.200 -91.000 TYR 14 0.840 -1.041 35.227 68.712 -99.200 -91.000 TRP 24 1.040 0.061 27.389 63.808 -99.200 -91.000 TRP6 24 1.020 0.430 29.445 62.697 -99.200 -91.000 HIS 30 0.900 -6.845 27.431 52.367 -99.200 -91.000 TYR 38 0.840 14.080 27.851 53.369 -99.200 -91.000 TYR 41 0.840 19.747 27.575 53.737 -99.200 -91.000 TYR 53 0.840 21.323 23.919 67.797 -99.200 -91.000 TYR 61 0.840 21.986 22.750 62.434 -99.200 -91.000 TYR 63 0.840 18.547 26.171 59.410 -99.200 -91.000 TYR 69 0.840 27.939 33.555 64.849 -99.200 -91.000 HIS 74 0.900 23.621 25.481 79.660 -99.200 -91.000 TYR 84 0.840 26.341 26.649 72.183 -99.200 -91.000 TRP 85 1.040 26.485 37.042 70.766 -99.200 -91.000 TRP6 85 1.020 28.642 37.839 70.207 -99.200 -91.000 TRP 105 1.040 16.448 33.211 58.120 -99.200 -91.000 TRP6 105 1.020 16.091 30.897 57.846 -99.200 -91.000 TYR 125 0.840 12.105 44.385 58.613 -99.200 -91.000 PHE 133 1.000 -8.241 37.229 61.876 -99.200 -91.000 PHE 141 1.000 7.783 41.630 63.644 -99.200 -91.000 TYR 156 0.840 5.425 36.812 46.180 -99.200 -91.000 TYR 163 0.840 5.167 33.990 50.191 -99.200 -91.000 TYR 166 0.840 6.539 45.717 54.629 -99.200 -91.000