============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 7 0.900 31.619 -31.454 13.571 -99.200 -91.000 HIS 19 0.900 28.211 -46.526 8.459 -99.200 -91.000 HIS 21 0.900 25.456 -50.234 11.963 -99.200 -91.000 PHE 34 1.000 27.283 -40.478 7.246 -99.200 -91.000 PHE 57 1.000 22.591 -39.893 -4.324 -99.200 -91.000 HIS 69 0.900 23.698 -44.816 17.101 -99.200 -91.000 TYR 73 0.840 22.345 -31.724 15.405 -99.200 -91.000 HIS 88 0.900 23.159 -35.724 -10.806 -99.200 -91.000 PHE 92 1.000 20.423 -37.313 3.265 -99.200 -91.000 HIS 93 0.900 11.616 -39.934 1.317 -99.200 -91.000 PHE 117 1.000 19.597 -35.036 7.566 -99.200 -91.000 PHE 125 1.000 13.555 -41.638 8.718 -99.200 -91.000 TYR 127 0.840 20.905 -41.823 0.231 -99.200 -91.000 HIS 128 0.900 13.935 -38.891 -3.655 -99.200 -91.000 TRP 137 1.040 15.935 -39.723 -16.859 -99.200 -91.000 TRP6 137 1.020 17.488 -38.093 -17.570 -99.200 -91.000 HIS 138 0.900 18.645 -36.357 -12.412 -99.200 -91.000 HIS 164 0.900 21.075 -59.386 18.815 -99.200 -91.000 TYR 165 0.840 21.305 -54.386 13.082 -99.200 -91.000 TYR 169 0.840 24.032 -59.444 4.335 -99.200 -91.000 PHE 174 1.000 17.826 -48.834 -7.274 -99.200 -91.000 TYR 177 0.840 9.570 -47.384 -15.020 -99.200 -91.000 TYR 186 0.840 14.461 -54.256 -23.035 -99.200 -91.000 TYR 189 0.840 18.252 -44.449 -25.433 -99.200 -91.000 TYR 196 0.840 13.820 -36.194 -20.046 -99.200 -91.000 HIS 210 0.900 15.210 -54.883 -17.908 -99.200 -91.000 PHE 213 1.000 15.531 -57.739 -4.571 -99.200 -91.000 HIS 238 0.900 13.316 -54.874 -0.482 -99.200 -91.000 HIS 248 0.900 8.008 -65.287 1.130 -99.200 -91.000 HIS 253 0.900 8.077 -67.747 8.741 -99.200 -91.000 TRP 256 1.040 10.858 -59.504 16.803 -99.200 -91.000 TRP6 256 1.020 8.708 -59.067 17.715 -99.200 -91.000 TRP 258 1.040 10.276 -51.537 13.632 -99.200 -91.000 TRP6 258 1.020 11.933 -53.137 14.153 -99.200 -91.000 PHE 263 1.000 14.574 -48.910 12.953 -99.200 -91.000 TRP 274 1.040 9.196 -57.358 4.919 -99.200 -91.000 TRP6 274 1.020 9.806 -59.611 5.218 -99.200 -91.000 PHE 275 1.000 2.626 -52.452 -0.080 -99.200 -91.000 TYR 286 0.840 14.245 -66.036 9.495 -99.200 -91.000 PHE 288 1.000 18.878 -66.567 7.603 -99.200 -91.000 TYR 294 0.840 16.915 -69.676 4.363 -99.200 -91.000 TYR 296 0.840 14.858 -59.776 0.981 -99.200 -91.000 HIS 299 0.900 5.262 -64.690 -2.932 -99.200 -91.000 PHE 305 1.000 11.014 -67.135 -8.994 -99.200 -91.000 HIS 312 0.900 19.704 -67.247 -5.489 -99.200 -91.000 TRP 319 1.040 17.080 -80.463 8.052 -99.200 -91.000 TRP6 319 1.020 16.148 -78.761 6.677 -99.200 -91.000