============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 76 rings ring int. center anis. iso. TYR 4 0.840 -86.496 24.713 -8.293 -99.200 -91.000 PHE 15 1.000 -71.732 31.984 -5.078 -99.200 -91.000 HIS 20 0.900 -67.185 39.619 -14.079 -99.200 -91.000 TYR 22 0.840 -69.054 41.671 -3.332 -99.200 -91.000 HIS 24 0.900 -74.024 41.126 -7.230 -99.200 -91.000 HIS 27 0.900 -84.766 33.875 -10.431 -99.200 -91.000 PHE 53 1.000 -47.277 23.022 -17.876 -99.200 -91.000 PHE 55 1.000 -48.765 34.371 -20.720 -99.200 -91.000 HIS 56 0.900 -45.695 32.659 -12.358 -99.200 -91.000 HIS 60 0.900 -58.116 31.545 -15.423 -99.200 -91.000 PHE 63 1.000 -67.740 26.980 -9.030 -99.200 -91.000 HIS 65 0.900 -65.644 31.328 -18.933 -99.200 -91.000 TYR 70 0.840 -75.801 33.956 -12.381 -99.200 -91.000 PHE 80 1.000 -80.464 43.598 -23.104 -99.200 -91.000 TYR 84 0.840 -82.178 49.819 -23.685 -99.200 -91.000 TRP 94 1.040 -85.104 41.170 -21.063 -99.200 -91.000 TRP6 94 1.020 -83.949 39.238 -21.827 -99.200 -91.000 HIS 109 0.900 -70.524 29.101 -20.980 -99.200 -91.000 HIS 113 0.900 -65.141 23.195 -22.751 -99.200 -91.000 TYR 116 0.840 -54.502 19.440 -19.068 -99.200 -91.000 HIS 118 0.900 -57.012 21.837 -29.591 -99.200 -91.000 PHE 120 1.000 -60.238 13.122 -22.596 -99.200 -91.000 HIS 122 0.900 -55.443 15.245 -32.392 -99.200 -91.000 PHE 124 1.000 -58.248 9.723 -24.730 -99.200 -91.000 HIS 128 0.900 -66.437 21.941 -26.247 -99.200 -91.000 TYR 144 0.840 -84.002 15.549 -16.897 -99.200 -91.000 PHE 154 1.000 -86.002 26.318 -17.534 -99.200 -91.000 TYR 166 0.840 -85.518 30.014 -26.137 -99.200 -91.000 TYR 186 0.840 -63.138 33.424 -24.114 -99.200 -91.000 TYR 192 0.840 -57.772 39.755 -11.315 -99.200 -91.000 PHE 193 1.000 -57.901 34.572 -11.922 -99.200 -91.000 TYR 198 0.840 -50.644 41.607 -23.573 -99.200 -91.000 PHE 201 1.000 -63.937 43.644 -22.585 -99.200 -91.000 TYR 213 0.840 -81.221 44.009 -33.618 -99.200 -91.000 PHE 219 1.000 -72.925 45.400 -28.171 -99.200 -91.000 HIS 225 0.900 -64.457 55.848 -30.551 -99.200 -91.000 TYR 230 0.840 -65.447 41.702 -27.552 -99.200 -91.000 TYR 235 0.840 -54.487 41.525 -33.456 -99.200 -91.000 TYR 238 0.840 -58.814 35.297 -30.419 -99.200 -91.000 TYR 242 0.840 -56.890 33.343 -25.180 -99.200 -91.000 PHE 243 1.000 -54.096 32.330 -31.928 -99.200 -91.000 HIS 244 0.900 -45.677 32.343 -25.237 -99.200 -91.000 HIS 256 0.900 -46.916 14.102 -30.533 -99.200 -91.000 HIS 259 0.900 -51.453 8.769 -31.197 -99.200 -91.000 PHE 265 1.000 -56.618 -0.510 -22.613 -99.200 -91.000 PHE 270 1.000 -46.830 -1.604 -22.719 -99.200 -91.000 TYR 272 0.840 -44.070 -4.578 -19.029 -99.200 -91.000 PHE 282 1.000 -63.415 8.749 -21.371 -99.200 -91.000 PHE 283 1.000 -55.809 4.828 -22.277 -99.200 -91.000 PHE 287 1.000 -67.024 8.790 -24.121 -99.200 -91.000 TYR 292 0.840 -66.547 14.223 -20.747 -99.200 -91.000 TYR 303 0.840 -55.307 7.723 -14.321 -99.200 -91.000 PHE 304 1.000 -50.656 12.922 -18.103 -99.200 -91.000 TRP 307 1.040 -49.636 6.314 -17.650 -99.200 -91.000 TRP6 307 1.020 -5