============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 27 1.000 7.737 2.482 59.196 -99.200 -91.000 PHE 29 1.000 9.910 -1.806 55.566 -99.200 -91.000 TRP 36 1.040 5.557 1.726 45.971 -99.200 -91.000 TRP6 36 1.020 7.028 3.572 45.886 -99.200 -91.000 TRP 47 1.040 -3.586 0.783 46.898 -99.200 -91.000 TRP6 47 1.020 -4.491 -1.223 46.068 -99.200 -91.000 TYR 56 0.840 -1.869 -13.410 52.306 -99.200 -91.000 PHE 58 1.000 -3.926 -7.663 49.324 -99.200 -91.000 TYR 59 0.840 0.314 -5.730 42.222 -99.200 -91.000 PHE 67 1.000 2.755 0.251 37.393 -99.200 -91.000 TYR 92 0.840 4.157 6.259 40.208 -99.200 -91.000 TYR 93 0.840 2.708 11.783 47.236 -99.200 -91.000 TYR 97 0.840 -2.198 -0.284 53.266 -99.200 -91.000 PHE 102 1.000 -8.463 -3.911 56.465 -99.200 -91.000 TYR 103 0.840 -6.699 3.681 58.852 -99.200 -91.000 PHE 104 1.000 -3.397 4.274 51.297 -99.200 -91.000 TYR 106 0.840 2.724 8.881 60.082 -99.200 -91.000 TRP 107 1.040 -0.249 9.869 52.415 -99.200 -91.000 TRP6 107 1.020 -1.061 9.856 50.216 -99.200 -91.000 TYR 126 0.840 15.158 34.188 26.637 -99.200 -91.000 TYR 149 0.840 11.045 24.326 32.275 -99.200 -91.000 PHE 150 1.000 9.317 16.702 28.515 -99.200 -91.000 TRP 158 1.040 13.681 35.792 42.179 -99.200 -91.000 TRP6 158 1.020 14.204 37.105 40.329 -99.200 -91.000 HIS 168 0.900 4.182 36.924 44.027 -99.200 -91.000 PHE 170 1.000 3.621 34.394 38.405 -99.200 -91.000 TYR 179 0.840 6.408 21.129 31.431 -99.200 -91.000 HIS 203 0.900 16.047 21.164 32.655 -99.200 -91.000