============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. HIS 9 0.900 -2.824 -24.017 24.121 -99.200 -91.000 PHE 24 1.000 0.144 -5.281 42.132 -99.200 -91.000 TYR 28 0.840 -17.684 -5.071 47.424 -99.200 -91.000 PHE 31 1.000 -18.232 7.933 48.996 -99.200 -91.000 TYR 41 0.840 -13.289 -6.058 45.770 -99.200 -91.000 TYR 48 0.840 -21.163 2.763 54.969 -99.200 -91.000 HIS 56 0.900 -8.381 -1.534 43.229 -99.200 -91.000 PHE 63 1.000 5.377 -3.480 41.484 -99.200 -91.000 TYR 67 0.840 5.791 -2.140 36.927 -99.200 -91.000 TRP 68 1.040 1.957 1.318 38.858 -99.200 -91.000 TRP6 68 1.020 1.054 -0.863 38.687 -99.200 -91.000 PHE 72 1.000 -1.680 0.437 33.919 -99.200 -91.000 TRP 81 1.040 -8.422 -13.630 28.310 -99.200 -91.000 TRP6 81 1.020 -10.460 -12.789 27.461 -99.200 -91.000 TYR 83 0.840 -2.651 -8.331 30.295 -99.200 -91.000 TRP 88 1.040 -11.183 -7.054 31.701 -99.200 -91.000 TRP6 88 1.020 -11.424 -7.303 34.045 -99.200 -91.000 TRP 93 1.040 -3.361 0.393 38.714 -99.200 -91.000 TRP6 93 1.020 -3.116 2.644 38.023 -99.200 -91.000 PHE 107 1.000 -9.587 -8.431 23.448 -99.200 -91.000 PHE 114 1.000 -14.368 14.717 16.803 -99.200 -91.000 TRP 115 1.040 -8.544 19.070 17.804 -99.200 -91.000 TRP6 115 1.020 -7.596 19.702 15.729 -99.200 -91.000 PHE 119 1.000 -19.690 22.642 19.347 -99.200 -91.000 PHE 123 1.000 -21.137 26.174 16.165 -99.200 -91.000 TRP 129 1.040 -8.554 17.015 22.420 -99.200 -91.000 TRP6 129 1.020 -7.451 15.523 20.950 -99.200 -91.000 HIS 132 0.900 -16.965 10.473 19.858 -99.200 -91.000 HIS 137 0.900 -19.959 -4.983 23.630 -99.200 -91.000 PHE 141 1.000 -18.778 5.544 31.428 -99.200 -91.000 TYR 179 0.840 -19.564 -6.797 28.639 -99.200 -91.000 PHE 190 1.000 -36.851 -10.390 38.044 -99.200 -91.000 PHE 209 1.000 -37.768 -16.169 31.474 -99.200 -91.000 PHE 217 1.000 -39.832 0.935 40.009 -99.200 -91.000 TYR 233 0.840 -24.872 -12.725 43.493 -99.200 -91.000 PHE 257 1.000 -5.752 14.391 25.438 -99.200 -91.000 TRP 259 1.040 1.163 7.744 30.261 -99.200 -91.000 TRP6 259 1.020 -0.618 6.793 31.494 -99.200 -91.000 TRP 264 1.040 -11.349 23.576 32.883 -99.200 -91.000 TRP6 264 1.020 -12.591 23.785 34.881 -99.200 -91.000 TYR 276 0.840 -16.177 7.981 43.781 -99.200 -91.000 PHE 278 1.000 -14.977 9.587 32.846 -99.200 -91.000 TYR 279 0.840 -11.464 12.292 42.947 -99.200 -91.000 PHE 282 1.000 -9.239 12.181 34.539 -99.200 -91.000 TYR 307 0.840 -27.065 25.116 38.863 -99.200 -91.000 HIS 309 0.900 -27.458 20.224 48.333 -99.200 -91.000 TYR 310 0.840 -20.677 24.809 41.694 -99.200 -91.000 TRP 314 1.040 -19.642 21.678 47.145 -99.200 -91.000 TRP6 314 1.020 -21.145 20.566 45.695 -99.200 -91.000 PHE 317 1.000 -23.927 16.123 50.241 -99.200 -91.000 TYR 327 0.840 -14.451 11.680 48.407 -99.200 -91.000 PHE 354 1.000 -26.439 10.697 14.240 -99.200 -91.000 HIS 358 0.900 -27.422 12.200 29.570 -99.200 -91.000 PHE 367 1.000 -22.517 29.969 24.913 -99.200 -91.000 HIS 388 0.900 -22.965 5.591 17.585 -99.200 -91.000 PHE 392 1.000 -29.628 9.016 22.960 -99.200 -91.000 TYR 399 0.840 -33.429 20.836 16.958 -99.200 -91.000 HIS 400 0.900 -31.966 18.455 12.529 -99.200 -91.000 PHE 410 1.000 -29.251 26.785 16.188 -99.200 -91.000 PHE 421 1.000 -29.898 24.284 -15.106 -99.200 -91.000 TYR 430 0.840 -26.244 24.448 1.053 -99.200 -91.000