============================================================================= 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 10 0.840 28.216 -24.194 11.962 -99.200 -91.000 HIS 13 0.900 34.969 -25.145 11.330 -99.200 -91.000 TYR 22 0.840 24.846 -27.272 20.909 -99.200 -91.000 HIS 29 0.900 17.260 -26.986 28.715 -99.200 -91.000 PHE 31 1.000 16.978 -25.309 21.514 -99.200 -91.000 PHE 35 1.000 22.438 -24.580 8.505 -99.200 -91.000 PHE 44 1.000 28.966 -34.102 8.474 -99.200 -91.000 HIS 50 0.900 23.320 -38.567 20.610 -99.200 -91.000 PHE 67 1.000 28.002 -31.652 -4.238 -99.200 -91.000 TYR 68 0.840 25.453 -32.611 -12.041 -99.200 -91.000 PHE 73 1.000 27.103 -38.176 0.865 -99.200 -91.000 PHE 74 1.000 22.771 -34.292 -0.406 -99.200 -91.000 PHE 88 1.000 20.070 -25.328 -8.188 -99.200 -91.000 TYR 101 0.840 16.753 -41.223 -2.757 -99.200 -91.000 TYR 115 0.840 13.988 -19.727 -5.260 -99.200 -91.000 HIS 122 0.900 9.077 -24.530 -13.937 -99.200 -91.000 HIS 133 0.900 14.605 -14.800 6.347 -99.200 -91.000 PHE 135 1.000 24.811 -18.815 9.546 -99.200 -91.000 TYR 136 0.840 22.653 -12.179 6.012 -99.200 -91.000 PHE 140 1.000 27.173 -2.117 12.446 -99.200 -91.000 TYR 145 0.840 10.492 -5.577 11.438 -99.200 -91.000 TYR 147 0.840 15.583 -8.091 1.517 -99.200 -91.000 PHE 148 1.000 12.754 -11.388 9.442 -99.200 -91.000 PHE 155 1.000 10.099 -19.115 1.156 -99.200 -91.000 HIS 158 0.900 2.955 -18.620 -2.886 -99.200 -91.000 PHE 165 1.000 20.331 -20.239 10.541 -99.200 -91.000 HIS 169 0.900 24.549 -12.332 22.434 -99.200 -91.000 TRP 176 1.040 31.630 -18.503 6.403 -99.200 -91.000 TRP6 176 1.020 31.608 -20.236 4.805 -99.200 -91.000 HIS 188 0.900 16.342 -10.586 16.087 -99.200 -91.000 HIS 199 0.900 11.897 -8.520 16.335 -99.200 -91.000 TRP 201 1.040 8.832 -18.695 17.615 -99.200 -91.000 TRP6 201 1.020 9.956 -19.447 19.562 -99.200 -91.000 TYR 215 0.840 29.519 -27.454 20.710 -99.200 -91.000 TYR 230 0.840 3.148 -22.849 20.003 -99.200 -91.000 HIS 237 0.900 13.533 -6.138 35.340 -99.200 -91.000 PHE 238 1.000 5.760 -6.722 39.388 -99.200 -91.000 HIS 255 0.900 -2.357 -8.122 31.859 -99.200 -91.000 TYR 264 0.840 -0.643 10.092 23.340 -99.200 -91.000 TYR 275 0.840 -6.919 -7.797 40.003 -99.200 -91.000 TYR 278 0.840 -9.466 -7.378 45.194 -99.200 -91.000 PHE 280 1.000 -5.634 -1.655 42.584 -99.200 -91.000 PHE 300 1.000 -7.572 7.385 35.573 -99.200 -91.000 TYR 303 0.840 -11.826 5.348 32.617 -99.200 -91.000 PHE 332 1.000 12.504 -5.760 20.132 -99.200 -91.000 TYR 336 0.840 6.698 -7.172 16.630 -99.200 -91.000 TRP 340 1.040 -10.042 -6.671 18.949 -99.200 -91.000 TRP6 340 1.020 -11.214 -6.139 20.946 -99.200 -91.000 PHE 343 1.000 -0.184 -7.407 27.036 -99.200 -91.000