============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 6 1.000 53.172 25.215 1.175 -99.200 -91.000 PHE 9 1.000 48.313 18.063 7.492 -99.200 -91.000 HIS 20 0.900 32.928 0.104 9.234 -99.200 -91.000 PHE 22 1.000 37.757 4.907 11.033 -99.200 -91.000 TYR 33 0.840 55.768 30.787 11.670 -99.200 -91.000 PHE 51 1.000 32.571 6.355 11.118 -99.200 -91.000 TRP 53 1.040 34.184 11.262 5.797 -99.200 -91.000 TRP6 53 1.020 36.545 11.339 5.971 -99.200 -91.000 PHE 60 1.000 41.709 12.602 9.447 -99.200 -91.000 TYR 64 0.840 50.122 23.311 9.351 -99.200 -91.000 HIS 67 0.900 49.731 30.147 19.183 -99.200 -91.000 TYR 74 0.840 53.890 22.988 25.256 -99.200 -91.000 PHE 79 1.000 56.432 20.008 15.425 -99.200 -91.000 PHE 83 1.000 51.865 18.750 18.767 -99.200 -91.000 TRP 85 1.040 46.879 15.867 18.999 -99.200 -91.000 TRP6 85 1.020 44.658 15.009 18.599 -99.200 -91.000 PHE 91 1.000 30.478 13.613 19.521 -99.200 -91.000 PHE 110 1.000 54.510 20.395 10.872 -99.200 -91.000 TYR 112 0.840 49.942 16.403 11.595 -99.200 -91.000 PHE 121 1.000 29.460 8.516 18.525 -99.200 -91.000 TRP 135 1.040 32.828 19.476 13.655 -99.200 -91.000 TRP6 135 1.020 31.955 18.688 15.712 -99.200 -91.000 TYR 143 0.840 43.549 24.182 32.044 -99.200 -91.000 HIS 164 0.900 22.220 23.290 19.237 -99.200 -91.000 TYR 165 0.840 25.544 14.487 18.384 -99.200 -91.000 TYR 173 0.840 46.057 20.144 22.294 -99.200 -91.000 TYR 185 0.840 46.767 30.280 23.919 -99.200 -91.000 HIS 196 0.900 30.570 15.254 -0.101 -99.200 -91.000 TYR 200 0.840 29.341 12.248 2.124 -99.200 -91.000 TYR 206 0.840 40.534 27.317 4.973 -99.200 -91.000 HIS 213 0.900 46.870 37.806 25.560 -99.200 -91.000 TYR 222 0.840 33.618 29.992 25.283 -99.200 -91.000