============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 17 1.000 -9.604 -5.133 -35.157 -99.200 -91.000 PHE 27 1.000 -1.391 -15.749 -37.481 -99.200 -91.000 HIS 36 0.900 14.415 -27.842 -55.263 -99.200 -91.000 TYR 39 0.840 1.233 -20.439 -50.150 -99.200 -91.000 TYR 55 0.840 7.988 -23.088 -36.374 -99.200 -91.000 TRP 64 1.040 14.901 -8.572 -37.666 -99.200 -91.000 TRP6 64 1.020 13.055 -7.953 -36.399 -99.200 -91.000 TRP 71 1.040 4.734 -8.109 -37.157 -99.200 -91.000 TRP6 71 1.020 6.854 -7.255 -36.831 -99.200 -91.000 HIS 72 0.900 1.394 -7.857 -46.755 -99.200 -91.000 HIS 73 0.900 -1.427 -14.576 -43.226 -99.200 -91.000 PHE 75 1.000 -0.081 -4.835 -39.577 -99.200 -91.000 TYR 76 0.840 -2.103 -5.135 -46.034 -99.200 -91.000 HIS 86 0.900 -6.836 0.107 -37.782 -99.200 -91.000 PHE 109 1.000 6.459 4.662 -35.908 -99.200 -91.000 PHE 112 1.000 4.045 -4.152 -42.207 -99.200 -91.000 TYR 118 0.840 4.660 1.226 -25.074 -99.200 -91.000 TYR 128 0.840 -0.593 -2.855 -17.392 -99.200 -91.000 HIS 146 0.900 12.149 -14.871 -20.854 -99.200 -91.000 TYR 151 0.840 7.910 -0.300 -7.501 -99.200 -91.000 TYR 154 0.840 7.305 2.152 -15.436 -99.200 -91.000 HIS 158 0.900 17.281 -5.589 -10.901 -99.200 -91.000 TYR 173 0.840 11.083 -35.968 -20.187 -99.200 -91.000 TYR 183 0.840 1.983 -46.925 -25.980 -99.200 -91.000 PHE 185 1.000 3.513 -41.734 -29.973 -99.200 -91.000 TYR 203 0.840 -1.428 -35.717 -12.920 -99.200 -91.000 PHE 208 1.000 8.282 -37.332 -10.268 -99.200 -91.000 TYR 225 0.840 -4.529 -38.952 -27.569 -99.200 -91.000 PHE 240 1.000 3.083 -39.074 -12.041 -99.200 -91.000 PHE 247 1.000 7.361 -27.361 -10.631 -99.200 -91.000 PHE 251 1.000 12.543 -35.781 -13.750 -99.200 -91.000 HIS 260 0.900 11.362 -25.525 -7.856 -99.200 -91.000 TYR 264 0.840 14.485 -17.960 -2.693 -99.200 -91.000 TYR 279 0.840 8.727 -14.414 -1.572 -99.200 -91.000 PHE 291 1.000 1.755 -29.211 -18.582 -99.200 -91.000 TYR 322 0.840 -5.419 -17.727 -26.382 -99.200 -91.000 TRP 325 1.040 -4.449 -10.076 -28.551 -99.200 -91.000 TRP6 325 1.020 -6.642 -9.335 -28.095 -99.200 -91.000 PHE 337 1.000 -0.712 2.058 -25.199 -99.200 -91.000 TRP 341 1.040 -0.815 5.200 -28.901 -99.200 -91.000 TRP6 341 1.020 -0.768 2.939 -29.477 -99.200 -91.000 TYR 347 0.840 11.029 5.630 -37.407 -99.200 -91.000 HIS 356 0.900 16.946 1.358 -27.901 -99.200 -91.000 PHE 360 1.000 11.440 3.067 -18.941 -99.200 -91.000