============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TYR 1 0.840 22.287 63.273 173.596 -99.200 -91.000 TRP 6 1.040 18.470 80.104 165.500 -99.200 -91.000 TRP6 6 1.020 20.814 80.410 165.384 -99.200 -91.000 TYR 12 0.840 8.915 76.068 170.355 -99.200 -91.000 TYR 16 0.840 5.832 72.770 173.897 -99.200 -91.000 PHE 21 1.000 6.780 60.081 173.477 -99.200 -91.000 TYR 39 0.840 8.418 85.603 167.046 -99.200 -91.000 TYR 42 0.840 10.859 84.827 181.030 -99.200 -91.000 TYR 57 0.840 21.784 79.852 177.935 -99.200 -91.000 PHE 59 1.000 25.155 74.820 172.593 -99.200 -91.000 TYR 61 0.840 23.404 66.723 169.461 -99.200 -91.000 PHE 65 1.000 11.970 72.143 166.158 -99.200 -91.000 TYR 70 0.840 19.238 72.906 158.968 -99.200 -91.000 PHE 92 1.000 16.078 65.337 158.752 -99.200 -91.000 PHE 93 1.000 13.092 66.766 167.753 -99.200 -91.000 PHE 94 1.000 7.747 68.478 162.679 -99.200 -91.000 PHE 98 1.000 13.226 62.554 166.366 -99.200 -91.000 PHE 100 1.000 17.649 65.036 170.462 -99.200 -91.000 TYR 103 0.840 18.114 62.581 163.871 -99.200 -91.000 TRP 119 1.040 16.685 50.302 152.245 -99.200 -91.000 TRP6 119 1.020 17.737 50.332 154.357 -99.200 -91.000 TYR 126 0.840 12.349 58.760 156.724 -99.200 -91.000 PHE 129 1.000 21.278 60.111 160.607 -99.200 -91.000 PHE 131 1.000 24.273 60.135 150.352 -99.200 -91.000 PHE 135 1.000 29.278 49.148 149.700 -99.200 -91.000 PHE 138 1.000 27.805 50.788 144.497 -99.200 -91.000 TYR 139 0.840 22.079 46.976 139.455 -99.200 -91.000 HIS 141 0.900 23.093 41.677 139.238 -99.200 -91.000 TYR 145 0.840 25.456 43.427 149.483 -99.200 -91.000 PHE 148 1.000 31.939 44.520 150.005 -99.200 -91.000 TYR 153 0.840 40.723 40.822 147.517 -99.200 -91.000 TYR 154 0.840 35.813 41.285 147.187 -99.200 -91.000 TYR 168 0.840 24.067 59.703 122.499 -99.200 -91.000 PHE 187 1.000 29.883 52.291 139.523 -99.200 -91.000 HIS 189 0.900 22.958 60.515 140.382 -99.200 -91.000 PHE 193 1.000 35.434 52.964 136.305 -99.200 -91.000 TRP 200 1.040 35.160 52.635 145.476 -99.200 -91.000 TRP6 200 1.020 33.647 51.106 146.437 -99.200 -91.000 PHE 213 1.000 20.956 48.276 159.037 -99.200 -91.000 PHE 228 1.000 22.506 39.701 155.199 -99.200 -91.000 TYR 233 0.840 29.663 42.343 158.128 -99.200 -91.000 PHE 239 1.000 14.805 45.602 154.036 -99.200 -91.000 HIS 240 0.900 13.495 35.698 151.297 -99.200 -91.000 TYR 245 0.840 17.923 30.674 157.810 -99.200 -91.000 PHE 250 1.000 6.169 38.405 155.202 -99.200 -91.000 PHE 251 1.000 9.605 45.327 156.099 -99.200 -91.000 TYR 254 0.840 6.336 42.974 148.601 -99.200 -91.000 TRP 256 1.040 -3.558 44.582 151.892 -99.200 -91.000 TRP6 256 1.020 -3.479 46.728 150.907 -99.200 -91.000 TYR 261 0.840 -1.733 51.072 146.510 -99.200 -91.000 TYR 273 0.840 6.473 47.720 151.270 -99.200 -91.000 TRP 277 1.040 4.444 52.045 149.873 -99.200 -91.000 TRP6 277 1.020 2.312 51.061 150.158 -99.200 -91.000 PHE 293 1.000 14.270 45.285 162.444 -99.200 -91.000