============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. HIS 3 0.900 25.534 47.639 1.846 -99.200 -91.000 TYR 4 0.840 21.862 49.853 3.041 -99.200 -91.000 TYR 22 0.840 24.048 60.294 3.783 -99.200 -91.000 TRP 28 1.040 22.047 72.125 8.377 -99.200 -91.000 TRP6 28 1.020 23.772 70.786 9.278 -99.200 -91.000 PHE 32 1.000 25.673 81.895 7.344 -99.200 -91.000 PHE 34 1.000 14.751 83.582 4.060 -99.200 -91.000 TYR 35 0.840 21.394 85.437 10.376 -99.200 -91.000 PHE 45 1.000 9.847 91.113 14.811 -99.200 -91.000 HIS 53 0.900 6.968 96.002 24.965 -99.200 -91.000 TYR 55 0.840 10.550 89.679 32.255 -99.200 -91.000 TYR 68 0.840 12.243 66.644 21.962 -99.200 -91.000 TYR 76 0.840 25.180 80.567 22.874 -99.200 -91.000 PHE 77 1.000 19.191 81.131 21.896 -99.200 -91.000 TYR 81 0.840 20.042 87.084 24.328 -99.200 -91.000 TRP 86 1.040 16.534 90.913 24.807 -99.200 -91.000 TRP6 86 1.020 14.915 90.732 23.097 -99.200 -91.000 PHE 88 1.000 16.331 84.287 24.530 -99.200 -91.000 TYR 103 0.840 3.713 77.032 30.610 -99.200 -91.000 PHE 115 1.000 11.575 77.066 17.138 -99.200 -91.000 TYR 139 0.840 6.030 93.051 20.117 -99.200 -91.000 HIS 156 0.900 2.651 84.745 4.411 -99.200 -91.000 PHE 175 1.000 6.468 58.521 12.119 -99.200 -91.000 PHE 180 1.000 16.491 68.971 16.257 -99.200 -91.000 PHE 189 1.000 15.705 84.881 19.189 -99.200 -91.000 PHE 194 1.000 27.115 87.281 8.421 -99.200 -91.000 PHE 201 1.000 26.892 77.187 6.749 -99.200 -91.000 PHE 226 1.000 21.575 48.689 19.601 -99.200 -91.000 TYR 231 0.840 21.588 59.070 21.425 -99.200 -91.000 PHE 237 1.000 26.660 69.312 23.427 -99.200 -91.000 PHE 238 1.000 18.036 66.849 30.045 -99.200 -91.000 HIS 242 0.900 13.075 65.160 25.426 -99.200 -91.000 TYR 259 0.840 14.742 63.047 27.942 -99.200 -91.000 PHE 265 1.000 23.037 57.013 33.025 -99.200 -91.000 HIS 267 0.900 22.484 62.286 42.227 -99.200 -91.000 PHE 282 1.000 24.314 63.719 21.323 -99.200 -91.000 TYR 288 0.840 33.252 73.438 36.176 -99.200 -91.000 TYR 292 0.840 31.755 68.603 37.251 -99.200 -91.000 PHE 317 1.000 40.850 63.594 26.813 -99.200 -91.000 TYR 337 0.840 27.089 78.399 15.959 -99.200 -91.000 PHE 340 1.000 23.343 73.263 14.054 -99.200 -91.000 TYR 342 0.840 28.860 66.418 19.741 -99.200 -91.000 TYR 345 0.840 28.084 58.650 15.779 -99.200 -91.000 PHE 349 1.000 22.923 53.654 17.542 -99.200 -91.000 HIS 380 0.900 -11.355 69.746 24.161 -99.200 -91.000 TYR 382 0.840 -7.890 79.600 29.045 -99.200 -91.000