============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 3 1.040 6.804 24.695 96.318 -99.200 -91.000 TRP6 3 1.020 7.591 22.490 96.247 -99.200 -91.000 TRP 4 1.040 2.092 21.727 94.693 -99.200 -91.000 TRP6 4 1.020 2.053 23.271 96.453 -99.200 -91.000 TRP 8 1.040 10.310 28.293 83.662 -99.200 -91.000 TRP6 8 1.020 8.120 28.612 82.918 -99.200 -91.000 PHE 26 1.000 19.872 45.074 96.089 -99.200 -91.000 TRP 30 1.040 27.810 31.884 92.479 -99.200 -91.000 TRP6 30 1.020 29.670 30.659 93.201 -99.200 -91.000 TYR 33 0.840 29.077 23.178 83.781 -99.200 -91.000 TYR 34 0.840 18.703 20.929 85.222 -99.200 -91.000 HIS 37 0.900 26.509 15.557 81.012 -99.200 -91.000 PHE 55 1.000 16.294 36.751 93.346 -99.200 -91.000 HIS 67 0.900 11.878 36.692 69.876 -99.200 -91.000 TYR 74 0.840 18.157 25.228 82.254 -99.200 -91.000 TYR 83 0.840 20.650 28.857 94.231 -99.200 -91.000 TYR 88 0.840 27.591 31.107 81.158 -99.200 -91.000 PHE 97 1.000 32.127 40.533 72.250 -99.200 -91.000 PHE 124 1.000 8.363 38.107 72.465 -99.200 -91.000 TYR 130 0.840 5.161 41.716 79.566 -99.200 -91.000 HIS 132 0.900 15.007 45.988 79.851 -99.200 -91.000 PHE 153 1.000 13.975 40.302 80.239 -99.200 -91.000 PHE 171 1.000 13.215 54.907 87.168 -99.200 -91.000 TRP 175 1.040 22.203 54.286 79.040 -99.200 -91.000 TRP6 175 1.020 23.973 54.897 80.442 -99.200 -91.000 TYR 183 0.840 6.242 65.238 82.564 -99.200 -91.000 PHE 186 1.000 10.288 54.754 83.409 -99.200 -91.000 TRP 193 1.040 15.926 59.381 75.329 -99.200 -91.000 TRP6 193 1.020 15.364 61.508 74.514 -99.200 -91.000 PHE 195 1.000 17.860 50.228 69.505 -99.200 -91.000 HIS 205 0.900 34.173 49.062 69.374 -99.200 -91.000 TYR 210 0.840 23.455 62.680 76.582 -99.200 -91.000 TYR 226 0.840 22.377 72.920 72.033 -99.200 -91.000 TYR 239 0.840 23.986 62.483 65.452 -99.200 -91.000 TRP 246 1.040 18.294 59.956 71.494 -99.200 -91.000 TRP6 246 1.020 20.400 60.412 70.564 -99.200 -91.000 PHE 256 1.000 12.351 49.418 70.976 -99.200 -91.000 TYR 258 0.840 11.409 53.335 60.749 -99.200 -91.000 PHE 266 1.000 20.695 52.538 58.677 -99.200 -91.000 PHE 267 1.000 23.873 42.210 58.867 -99.200 -91.000