============================================================================= 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. TYR 1 0.840 -2.606 -19.716 28.219 -99.200 -91.000 PHE 15 1.000 -5.618 -17.666 37.401 -99.200 -91.000 TRP 22 1.040 -7.456 -15.498 28.492 -99.200 -91.000 TRP6 22 1.020 -5.714 -14.481 27.248 -99.200 -91.000 TYR 23 0.840 -12.673 -17.248 31.792 -99.200 -91.000 HIS 30 0.900 -2.619 -24.727 28.480 -99.200 -91.000 TYR 35 0.840 -5.921 -32.019 36.178 -99.200 -91.000 HIS 69 0.900 -29.573 -21.166 35.509 -99.200 -91.000 PHE 72 1.000 -17.071 -13.681 32.763 -99.200 -91.000 TYR 73 0.840 -19.320 -11.029 28.685 -99.200 -91.000 PHE 79 1.000 -17.689 -11.203 41.268 -99.200 -91.000 TYR 91 0.840 -19.744 -11.154 46.204 -99.200 -91.000 PHE 93 1.000 -21.835 -15.424 43.257 -99.200 -91.000 PHE 97 1.000 -22.779 -22.225 41.496 -99.200 -91.000 PHE 103 1.000 -21.331 -15.344 26.998 -99.200 -91.000 PHE 112 1.000 -15.969 -24.934 40.634 -99.200 -91.000 PHE 114 1.000 -12.914 -13.657 42.505 -99.200 -91.000 TYR 118 0.840 -10.367 -13.304 48.311 -99.200 -91.000 HIS 121 0.900 -13.400 -14.496 54.872 -99.200 -91.000 PHE 122 1.000 -16.787 -16.431 45.508 -99.200 -91.000 HIS 123 0.900 -18.899 -18.810 52.541 -99.200 -91.000 HIS 129 0.900 -30.249 -26.191 35.319 -99.200 -91.000 TYR 138 0.840 -32.601 -28.054 30.813 -99.200 -91.000 PHE 140 1.000 -20.454 -26.767 32.946 -99.200 -91.000 TYR 148 0.840 -11.329 -25.869 29.010 -99.200 -91.000 TYR 153 0.840 -20.206 -32.957 31.942 -99.200 -91.000 PHE 156 1.000 -15.780 -27.550 34.675 -99.200 -91.000 PHE 160 1.000 -20.682 -28.484 38.352 -99.200 -91.000 TRP 162 1.040 -16.420 -34.403 46.652 -99.200 -91.000 TRP6 162 1.020 -16.908 -35.463 48.707 -99.200 -91.000 HIS 177 0.900 -30.980 -23.428 42.951 -99.200 -91.000 PHE 181 1.000 -35.482 -30.428 53.981 -99.200 -91.000 TRP 211 1.040 -34.395 -31.039 41.544 -99.200 -91.000 TRP6 211 1.020 -35.088 -30.308 39.399 -99.200 -91.000 PHE 231 1.000 -41.004 -24.610 50.732 -99.200 -91.000 PHE 239 1.000 -36.158 -26.510 58.153 -99.200 -91.000 TYR 247 0.840 -34.240 -14.147 56.647 -99.200 -91.000 HIS 252 0.900 -35.419 -24.779 41.906 -99.200 -91.000 TYR 259 0.840 -37.130 -7.727 46.183 -99.200 -91.000 HIS 263 0.900 -44.031 -19.920 52.476 -99.200 -91.000 PHE 271 1.000 -33.445 -16.077 38.356 -99.200 -91.000 TYR 276 0.840 -33.486 -18.024 32.661 -99.200 -91.000 TYR 286 0.840 -25.955 -6.951 44.717 -99.200 -91.000 HIS 288 0.900 -24.902 -5.501 50.447 -99.200 -91.000 PHE 298 1.000 -34.851 -8.603 49.527 -99.200 -91.000 HIS 299 0.900 -28.214 -3.524 48.369 -99.200 -91.000 PHE 301 1.000 -27.701 -7.931 39.394 -99.200 -91.000 HIS 306 0.900 -25.244 -11.534 26.011 -99.200 -91.000 TYR 314 0.840 -21.231 -23.165 23.586 -99.200 -91.000