============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 3 1.000 24.381 3.188 53.705 -99.200 -91.000 TYR 9 0.840 40.578 1.360 47.461 -99.200 -91.000 TYR 14 0.840 37.351 2.636 51.644 -99.200 -91.000 PHE 23 1.000 31.443 14.880 49.651 -99.200 -91.000 TRP 59 1.040 46.803 -2.270 34.503 -99.200 -91.000 TRP6 59 1.020 45.510 -4.236 34.917 -99.200 -91.000 TYR 114 0.840 33.565 -3.978 22.571 -99.200 -91.000 TYR 115 0.840 36.424 -0.772 25.447 -99.200 -91.000 PHE 134 1.000 62.036 -2.680 10.253 -99.200 -91.000 TYR 136 0.840 59.460 -1.051 15.930 -99.200 -91.000 TRP 151 1.040 24.630 15.178 38.830 -99.200 -91.000 TRP6 151 1.020 22.466 14.817 37.901 -99.200 -91.000 TYR 153 0.840 22.047 6.091 33.266 -99.200 -91.000 TRP 160 1.040 29.426 2.414 29.826 -99.200 -91.000 TRP6 160 1.020 27.874 3.428 28.376 -99.200 -91.000 PHE 174 1.000 34.962 8.027 38.066 -99.200 -91.000 TYR 191 0.840 37.801 -1.724 38.150 -99.200 -91.000 PHE 201 1.000 38.660 3.089 39.663 -99.200 -91.000 TRP 214 1.040 42.899 21.840 43.885 -99.200 -91.000 TRP6 214 1.020 42.374 21.171 46.112 -99.200 -91.000 HIS 218 0.900 49.729 16.254 39.753 -99.200 -91.000 PHE 226 1.000 33.010 17.349 32.660 -99.200 -91.000 PHE 261 1.000 11.102 11.775 8.017 -99.200 -91.000 PHE 278 1.000 7.810 11.447 29.470 -99.200 -91.000 PHE 279 1.000 14.450 3.452 30.835 -99.200 -91.000 PHE 292 1.000 11.547 19.189 14.769 -99.200 -91.000 HIS 294 0.900 2.764 16.094 7.573 -99.200 -91.000 PHE 301 1.000 3.640 12.059 18.777 -99.200 -91.000 PHE 324 1.000 9.257 10.206 36.722 -99.200 -91.000 PHE 330 1.000 15.073 17.345 48.604 -99.200 -91.000 HIS 332 0.900 19.231 18.744 37.836 -99.200 -91.000 TYR 339 0.840 15.645 25.301 31.695 -99.200 -91.000 PHE 362 1.000 4.367 10.174 45.952 -99.200 -91.000 TYR 367 0.840 9.443 11.224 44.816 -99.200 -91.000 PHE 373 1.000 5.504 22.960 29.304 -99.200 -91.000 PHE 388 1.000 20.862 15.198 32.712 -99.200 -91.000 TYR 397 0.840 7.441 17.252 10.068 -99.200 -91.000 TYR 412 0.840 23.186 21.652 23.814 -99.200 -91.000 HIS 427 0.900 19.415 3.047 5.383 -99.200 -91.000 HIS 431 0.900 23.033 7.825 4.789 -99.200 -91.000 TRP 439 1.040 19.337 4.967 18.841 -99.200 -91.000 TRP6 439 1.020 19.759 6.672 20.436 -99.200 -91.000 TRP 443 1.040 15.963 8.193 21.900 -99.200 -91.000 TRP6 443 1.020 15.988 9.717 20.078 -99.200 -91.000 TYR 455 0.840 28.364 14.601 13.899 -99.200 -91.000 HIS 471 0.900 40.977 7.977 19.099 -99.200 -91.000 TYR 472 0.840 40.862 6.227 27.737 -99.200 -91.000 TYR 485 0.840 72.211 10.481 9.056 -99.200 -91.000 PHE 489 1.000 75.147 20.686 7.826 -99.200 -91.000