============================================================================= 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 42.247 -5.959 -37.060 -99.200 -91.000 TYR 9 0.840 54.054 -6.943 -24.941 -99.200 -91.000 TYR 14 0.840 52.916 -7.474 -29.855 -99.200 -91.000 PHE 23 1.000 44.012 -18.627 -30.760 -99.200 -91.000 TRP 59 1.040 55.787 -4.028 -10.100 -99.200 -91.000 TRP6 59 1.020 55.315 -1.881 -11.016 -99.200 -91.000 TYR 114 0.840 39.713 0.733 -4.514 -99.200 -91.000 TYR 115 0.840 42.779 -3.032 -6.071 -99.200 -91.000 PHE 134 1.000 59.999 -5.446 18.226 -99.200 -91.000 TYR 136 0.840 59.783 -6.744 11.905 -99.200 -91.000 TRP 151 1.040 33.406 -16.701 -23.350 -99.200 -91.000 TRP6 151 1.020 31.208 -15.803 -23.382 -99.200 -91.000 TYR 153 0.840 31.427 -7.222 -19.277 -99.200 -91.000 TRP 160 1.040 37.540 -4.985 -12.965 -99.200 -91.000 TRP6 160 1.020 35.331 -5.583 -12.280 -99.200 -91.000 PHE 174 1.000 44.535 -11.943 -18.794 -99.200 -91.000 TYR 191 0.840 49.267 -2.968 -17.063 -99.200 -91.000 PHE 201 1.000 49.188 -8.041 -18.390 -99.200 -91.000 TRP 214 1.040 51.474 -27.238 -21.102 -99.200 -91.000 TRP6 214 1.020 51.470 -26.673 -23.409 -99.200 -91.000 HIS 218 0.900 56.924 -23.030 -14.412 -99.200 -91.000 PHE 226 1.000 38.852 -20.606 -14.753 -99.200 -91.000 PHE 261 1.000 10.541 -9.695 -0.759 -99.200 -91.000 PHE 278 1.000 16.235 -10.228 -21.799 -99.200 -91.000 PHE 279 1.000 24.985 -3.386 -20.146 -99.200 -91.000 PHE 292 1.000 12.572 -17.427 -7.085 -99.200 -91.000 HIS 294 0.900 1.966 -12.707 -3.667 -99.200 -91.000 PHE 301 1.000 8.287 -9.034 -13.311 -99.200 -91.000 PHE 324 1.000 19.900 -8.867 -27.063 -99.200 -91.000 PHE 330 1.000 28.563 -17.592 -36.472 -99.200 -91.000 HIS 332 0.900 27.568 -18.768 -25.124 -99.200 -91.000 TYR 339 0.840 21.237 -24.856 -21.197 -99.200 -91.000 PHE 362 1.000 19.969 -7.998 -37.986 -99.200 -91.000 TYR 367 0.840 23.134 -10.138 -34.824 -99.200 -91.000 PHE 373 1.000 11.403 -20.628 -22.421 -99.200 -91.000 PHE 388 1.000 28.199 -15.943 -19.585 -99.200 -91.000 TYR 397 0.840 7.245 -14.381 -3.885 -99.200 -91.000 TYR 412 0.840 25.659 -22.448 -10.615 -99.200 -91.000 HIS 427 0.900 18.807 -2.574 5.144 -99.200 -91.000 HIS 431 0.900 21.046 -8.090 6.752 -99.200 -91.000 TRP 439 1.040 23.969 -5.248 -7.174 -99.200 -91.000 TRP6 439 1.020 24.626 -6.998 -8.662 -99.200 -91.000 TRP 443 1.040 21.269 -7.824 -11.326 -99.200 -91.000 TRP6 443 1.020 20.321 -9.202 -9.625 -99.200 -91.000 TYR 455 0.840 27.988 -16.049 0.770 -99.200 -91.000 HIS 471 0.900 42.589 -12.205 0.944 -99.200 -91.000 TYR 472 0.840 46.262 -10.789 -6.793 -99.200 -91.000 TYR 485 0.840 66.225 -20.328 22.978 -99.200 -91.000 PHE 489 1.000 66.378 -30.909 24.601 -99.200 -91.000