============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 27 1.000 98.802 30.116 43.743 -99.200 -91.000 TYR 33 0.840 100.289 40.832 51.982 -99.200 -91.000 HIS 35 0.900 100.178 42.845 45.941 -99.200 -91.000 TRP 36 1.040 92.592 41.843 41.800 -99.200 -91.000 TRP6 36 1.020 92.058 40.740 39.775 -99.200 -91.000 TRP 47 1.040 99.246 47.728 44.464 -99.200 -91.000 TRP6 47 1.020 98.427 48.923 46.323 -99.200 -91.000 TYR 57 0.840 92.231 41.591 58.643 -99.200 -91.000 TYR 60 0.840 90.621 48.374 48.166 -99.200 -91.000 PHE 64 1.000 92.879 52.485 40.372 -99.200 -91.000 TYR 80 0.840 85.738 36.030 42.872 -99.200 -91.000 TYR 94 0.840 91.111 46.820 34.952 -99.200 -91.000 TYR 95 0.840 98.300 42.346 33.017 -99.200 -91.000 TYR 101 0.840 111.300 31.587 46.665 -99.200 -91.000 TYR 103 0.840 104.963 37.135 54.507 -99.200 -91.000 TYR 104 0.840 106.106 43.267 53.129 -99.200 -91.000 TYR 108 0.840 105.485 32.576 40.473 -99.200 -91.000 TRP 109 1.040 103.247 40.226 37.261 -99.200 -91.000 TRP6 109 1.020 102.293 42.366 37.033 -99.200 -91.000 TYR 128 0.840 84.013 51.663 2.098 -99.200 -91.000 TYR 149 0.840 86.414 46.878 13.258 -99.200 -91.000 PHE 150 1.000 81.536 48.136 20.438 -99.200 -91.000 TRP 158 1.040 95.895 41.431 2.111 -99.200 -91.000 TRP6 158 1.020 94.931 42.951 0.575 -99.200 -91.000 HIS 168 0.900 104.173 46.258 6.340 -99.200 -91.000 PHE 170 1.000 99.459 50.002 8.497 -99.200 -91.000 TYR 179 0.840 87.432 49.410 18.559 -99.200 -91.000 TRP 192 1.040 96.166 43.694 -8.706 -99.200 -91.000 TRP6 192 1.020 95.846 45.970 -9.253 -99.200 -91.000 HIS 203 0.900 82.425 42.591 13.681 -99.200 -91.000