============================================================================= 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 23 1.000 33.681 9.593 32.753 -99.200 -91.000 TYR 42 0.840 40.913 31.919 18.292 -99.200 -91.000 TYR 49 0.840 25.529 30.817 20.404 -99.200 -91.000 PHE 60 1.000 11.913 43.348 15.529 -99.200 -91.000 PHE 61 1.000 12.329 45.745 19.868 -99.200 -91.000 PHE 66 1.000 9.781 50.357 19.436 -99.200 -91.000 TYR 79 0.840 15.222 55.811 40.129 -99.200 -91.000 PHE 93 1.000 22.087 39.966 44.085 -99.200 -91.000 PHE 99 1.000 23.155 55.176 44.039 -99.200 -91.000 TYR 110 0.840 6.686 53.898 34.751 -99.200 -91.000 TYR 112 0.840 16.808 58.008 29.067 -99.200 -91.000 PHE 127 1.000 16.347 49.336 21.451 -99.200 -91.000 TYR 133 0.840 23.359 42.304 38.078 -99.200 -91.000 HIS 142 0.900 13.510 31.670 37.923 -99.200 -91.000 PHE 146 1.000 17.198 39.041 35.195 -99.200 -91.000 PHE 151 1.000 8.470 45.752 22.961 -99.200 -91.000 PHE 170 1.000 12.237 40.460 20.097 -99.200 -91.000 HIS 173 0.900 14.440 39.686 12.759 -99.200 -91.000 PHE 178 1.000 4.670 34.414 19.671 -99.200 -91.000 TYR 188 0.840 5.104 46.382 35.316 -99.200 -91.000 HIS 196 0.900 9.525 27.455 23.480 -99.200 -91.000 TRP 215 1.040 7.521 55.613 38.291 -99.200 -91.000 TRP6 215 1.020 9.827 55.610 38.786 -99.200 -91.000 TRP 221 1.040 2.291 52.939 30.105 -99.200 -91.000 TRP6 221 1.020 3.397 50.889 30.524 -99.200 -91.000 PHE 226 1.000 9.862 39.468 24.668 -99.200 -91.000 HIS 236 0.900 21.658 29.140 20.125 -99.200 -91.000 PHE 238 1.000 22.431 26.851 24.927 -99.200 -91.000 TYR 250 0.840 28.130 25.282 30.706 -99.200 -91.000 TYR 251 0.840 32.618 32.090 23.579 -99.200 -91.000