============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 1 0.900 18.145 12.604 -8.287 -99.200 -91.000 PHE 12 1.000 4.825 27.777 -21.857 -99.200 -91.000 PHE 29 1.000 28.004 25.618 -25.492 -99.200 -91.000 PHE 35 1.000 27.003 30.325 -21.583 -99.200 -91.000 PHE 46 1.000 19.056 26.338 -21.830 -99.200 -91.000 TRP 54 1.040 24.859 17.833 -13.473 -99.200 -91.000 TRP6 54 1.020 26.628 18.298 -11.985 -99.200 -91.000 HIS 55 0.900 25.259 15.115 -10.501 -99.200 -91.000 PHE 67 1.000 14.559 30.118 -19.266 -99.200 -91.000 PHE 71 1.000 10.895 32.474 -23.999 -99.200 -91.000 TYR 74 0.840 17.011 39.411 -24.224 -99.200 -91.000 PHE 78 1.000 5.982 31.846 -26.388 -99.200 -91.000 TYR 81 0.840 0.956 35.156 -14.822 -99.200 -91.000 PHE 89 1.000 10.171 27.658 -23.693 -99.200 -91.000 HIS 98 0.900 22.445 30.538 -34.524 -99.200 -91.000 TRP 115 1.040 27.012 22.251 -43.946 -99.200 -91.000 TRP6 115 1.020 25.044 22.313 -42.610 -99.200 -91.000 TYR 118 0.840 23.135 27.666 -41.585 -99.200 -91.000 PHE 130 1.000 19.670 21.335 -30.436 -99.200 -91.000 TYR 145 0.840 14.957 23.319 -64.924 -99.200 -91.000 PHE 150 1.000 20.699 20.633 -52.200 -99.200 -91.000 PHE 153 1.000 16.717 19.165 -40.812 -99.200 -91.000 PHE 169 1.000 11.405 10.808 -40.458 -99.200 -91.000 PHE 172 1.000 9.511 16.540 -44.002 -99.200 -91.000 PHE 204 1.000 19.408 11.763 -42.065 -99.200 -91.000 HIS 211 0.900 5.569 20.565 -34.495 -99.200 -91.000 PHE 215 1.000 -1.495 21.676 -34.724 -99.200 -91.000 PHE 231 1.000 6.632 7.860 -29.741 -99.200 -91.000 PHE 241 1.000 12.094 7.535 -44.558 -99.200 -91.000 TYR 247 0.840 19.077 10.560 -35.873 -99.200 -91.000 TYR 250 0.840 17.809 13.339 -26.090 -99.200 -91.000 HIS 255 0.900 -1.617 19.842 -25.680 -99.200 -91.000 HIS 260 0.900 -9.285 26.289 -29.423 -99.200 -91.000 TYR 261 0.840 -9.398 22.564 -23.395 -99.200 -91.000 HIS 263 0.900 0.213 19.663 -16.973 -99.200 -91.000 TYR 264 0.840 2.922 21.221 -24.348 -99.200 -91.000 TRP 274 1.040 12.903 5.788 -21.000 -99.200 -91.000 TRP6 274 1.020 12.681 7.532 -22.617 -99.200 -91.000 HIS 275 0.900 13.707 8.773 -13.434 -99.200 -91.000 TYR 277 0.840 12.102 14.730 -15.334 -99.200 -91.000 TYR 296 0.840 3.037 19.441 -30.390 -99.200 -91.000 PHE 299 1.000 13.575 17.617 -27.273 -99.200 -91.000 TYR 300 0.840 13.530 9.387 -32.097 -99.200 -91.000