============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 70 rings ring int. center anis. iso. TYR 4 0.840 -23.385 69.355 -10.635 -99.200 -91.000 PHE 15 1.000 -38.572 63.745 -7.084 -99.200 -91.000 HIS 20 0.900 -44.171 56.467 -16.080 -99.200 -91.000 TYR 22 0.840 -42.333 55.091 -5.027 -99.200 -91.000 HIS 24 0.900 -37.553 54.433 -9.105 -99.200 -91.000 HIS 27 0.900 -26.442 60.528 -12.681 -99.200 -91.000 PHE 53 1.000 -62.136 75.063 -20.433 -99.200 -91.000 PHE 55 1.000 -61.821 63.740 -23.067 -99.200 -91.000 HIS 56 0.900 -64.466 65.794 -14.409 -99.200 -91.000 HIS 60 0.900 -52.387 65.515 -17.833 -99.200 -91.000 PHE 63 1.000 -42.204 69.227 -11.500 -99.200 -91.000 HIS 65 0.900 -44.710 64.682 -21.218 -99.200 -91.000 TYR 70 0.840 -34.975 61.143 -14.551 -99.200 -91.000 PHE 80 1.000 -31.597 50.758 -25.078 -99.200 -91.000 TYR 84 0.840 -30.745 44.302 -25.522 -99.200 -91.000 TRP 94 1.040 -26.688 52.572 -22.867 -99.200 -91.000 TRP6 94 1.020 -27.530 54.639 -23.632 -99.200 -91.000 HIS 109 0.900 -39.628 66.299 -23.084 -99.200 -91.000 HIS 113 0.900 -44.346 72.602 -25.188 -99.200 -91.000 TYR 116 0.840 -54.520 77.823 -21.713 -99.200 -91.000 HIS 118 0.900 -50.604 72.662 -30.483 -99.200 -91.000 PHE 120 1.000 -48.178 83.242 -25.432 -99.200 -91.000 HIS 122 0.900 -52.962 80.888 -35.527 -99.200 -91.000 PHE 124 1.000 -49.683 86.850 -27.874 -99.200 -91.000 HIS 128 0.900 -43.054 73.787 -28.645 -99.200 -91.000 TYR 144 0.840 -24.852 78.494 -19.547 -99.200 -91.000 PHE 154 1.000 -24.012 67.683 -19.857 -99.200 -91.000 TYR 166 0.840 -24.639 63.467 -28.144 -99.200 -91.000 TYR 186 0.840 -47.440 62.770 -26.259 -99.200 -91.000 TYR 192 0.840 -53.506 57.442 -13.307 -99.200 -91.000 PHE 193 1.000 -52.796 62.737 -14.228 -99.200 -91.000 TYR 198 0.840 -61.746 53.547 -25.019 -99.200 -91.000 PHE 201 1.000 -47.890 52.413 -24.448 -99.200 -91.000 TYR 213 0.840 -30.522 50.170 -35.503 -99.200 -91.000 PHE 219 1.000 -39.231 49.942 -30.459 -99.200 -91.000 HIS 225 0.900 -48.597 40.260 -32.823 -99.200 -91.000 TYR 230 0.840 -46.298 54.108 -29.469 -99.200 -91.000 TYR 235 0.840 -57.281 55.072 -35.264 -99.200 -91.000 TYR 238 0.840 -52.350 62.216 -32.015 -99.200 -91.000 TYR 242 0.840 -53.760 63.468 -27.470 -99.200 -91.000 PHE 243 1.000 -56.742 64.722 -34.603 -99.200 -91.000 HIS 244 0.900 -64.687 65.829 -27.414 -99.200 -91.000 HIS 256 0.900 -61.732 83.298 -33.309 -99.200 -91.000 HIS 259 0.900 -56.679 88.430 -34.324 -99.200 -91.000 PHE 265 1.000 -50.255 97.149 -25.626 -99.200 -91.000 PHE 270 1.000 -59.062 99.371 -26.091 -99.200 -91.000 TYR 272 0.840 -60.529 100.317 -19.915 -99.200 -91.000 PHE 282 1.000 -44.473 87.196 -24.560 -99.200 -91.000 PHE 283 1.000 -51.579 91.948 -25.499 -99.200 -91.000 PHE 287 1.000 -40.698 86.518 -27.193 -99.200 -91.000 TYR 292 0.840 -42.020 81.547 -23.642 -99.200 -91.000 TYR 303 0.840 -52.300 89.498 -17.279 -99.200 -91.000 PHE 304 1.000 -57.498 84.811 -21.175 -99.200 -91.000 TRP 307 1.040 -58.093 91.592 -20.498 -99.200 -91.000 TRP6 307 1.020 -5