============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 92 rings ring int. center anis. iso. HIS 23 0.900 -3.422 93.628 47.098 -99.200 -91.000 PHE 27 1.000 -8.985 80.862 42.189 -99.200 -91.000 PHE 32 1.000 -9.445 66.071 47.605 -99.200 -91.000 PHE 42 1.000 -14.097 53.296 59.551 -99.200 -91.000 TRP 51 1.040 -19.393 73.203 41.231 -99.200 -91.000 TRP6 51 1.020 -17.391 72.083 41.805 -99.200 -91.000 TRP 55 1.040 -17.057 75.238 46.167 -99.200 -91.000 TRP6 55 1.020 -18.420 73.399 46.759 -99.200 -91.000 TYR 60 0.840 -7.102 78.549 54.791 -99.200 -91.000 TYR 67 0.840 -4.584 63.396 70.821 -99.200 -91.000 PHE 72 1.000 3.395 71.178 76.942 -99.200 -91.000 PHE 75 1.000 4.419 76.533 74.352 -99.200 -91.000 TRP 81 1.040 3.029 72.438 65.395 -99.200 -91.000 TRP6 81 1.020 3.903 72.584 63.202 -99.200 -91.000 TYR 93 0.840 -14.413 70.539 51.146 -99.200 -91.000 TRP 97 1.040 -2.642 80.789 48.839 -99.200 -91.000 TRP6 97 1.020 -2.805 78.744 50.016 -99.200 -91.000 TRP 111 1.040 2.081 71.459 53.002 -99.200 -91.000 TRP6 111 1.020 4.338 70.993 53.537 -99.200 -91.000 TYR 113 0.840 -3.027 67.484 56.172 -99.200 -91.000 PHE 117 1.000 1.018 58.482 57.175 -99.200 -91.000 TYR 118 0.840 -0.967 61.925 65.775 -99.200 -91.000 TYR 127 0.840 1.129 72.946 57.249 -99.200 -91.000 TYR 131 0.840 3.258 85.014 53.831 -99.200 -91.000 TYR 134 0.840 4.380 89.019 45.929 -99.200 -91.000 TYR 145 0.840 -3.047 63.230 54.614 -99.200 -91.000 PHE 150 1.000 -12.784 59.463 62.021 -99.200 -91.000 PHE 152 1.000 -3.792 56.729 56.409 -99.200 -91.000 HIS 156 0.900 -5.304 42.665 52.211 -99.200 -91.000 TRP 176 1.040 -10.343 68.739 40.990 -99.200 -91.000 TRP6 176 1.020 -9.581 70.980 40.973 -99.200 -91.000 HIS 178 0.900 -2.375 64.549 34.765 -99.200 -91.000 PHE 183 1.000 -9.338 73.820 32.482 -99.200 -91.000 PHE 184 1.000 -7.926 76.627 39.471 -99.200 -91.000 PHE 194 1.000 5.871 71.925 48.968 -99.200 -91.000 HIS 206 0.900 0.737 59.697 46.907 -99.200 -91.000 PHE 216 1.000 4.826 61.990 42.003 -99.200 -91.000 TRP 230 1.040 7.757 57.308 61.789 -99.200 -91.000 TRP6 230 1.020 6.475 58.534 60.220 -99.200 -91.000 HIS 261 0.900 -24.394 48.373 61.270 -99.200 -91.000 TRP 276 1.040 -3.536 58.768 70.799 -99.200 -91.000 TRP6 276 1.020 -1.506 58.863 69.585 -99.200 -91.000 PHE 281 1.000 5.707 46.057 70.515 -99.200 -91.000 PHE 285 1.000 8.867 59.887 65.186 -99.200 -91.000 PHE 287 1.000 3.151 58.834 65.059 -99.200 -91.000 PHE 289 1.000 -6.636 52.937 64.040 -99.200 -91.000 PHE 297 1.000 -0.895 54.010 47.734 -99.200 -91.000 PHE 298 1.000 2.409 51.477 50.220 -99.200 -91.000 PHE 311 1.000 13.043 53.427 43.087 -99.200 -91.000 PHE 327 1.000 6.790 69.166 68.936 -99.200 -91.000 PHE 328 1.000 7.938 62.747 67.473 -99.200 -91.000 TYR 331 0.840 3.696 67.003 73.232 -99.200 -91.000 PHE 336 1.000 13.820 63.610 77.567 -99.200 -91.000 PHE 349 1.000 20.708 56.793 77.274 -99.200 -91.000 HIS 359 0.900 1