============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. PHE 3 1.000 51.907 -32.502 2.505 -99.200 -91.000 TYR 15 0.840 46.219 -49.154 5.978 -99.200 -91.000 PHE 24 1.000 30.612 -59.468 -15.831 -99.200 -91.000 HIS 26 0.900 26.892 -55.616 -22.606 -99.200 -91.000 PHE 32 1.000 29.744 -46.999 -14.254 -99.200 -91.000 TYR 36 0.840 36.224 -43.957 -3.813 -99.200 -91.000 TYR 37 0.840 42.236 -49.818 -5.105 -99.200 -91.000 TRP 49 1.040 34.547 -34.974 -7.585 -99.200 -91.000 TRP6 49 1.020 33.459 -32.860 -7.757 -99.200 -91.000 TYR 55 0.840 28.830 -39.352 -14.955 -99.200 -91.000 PHE 56 1.000 31.408 -31.663 -15.186 -99.200 -91.000 TRP 57 1.040 26.619 -32.026 -21.561 -99.200 -91.000 TRP6 57 1.020 26.615 -33.383 -23.505 -99.200 -91.000 PHE 62 1.000 19.448 -32.925 -8.731 -99.200 -91.000 HIS 66 0.900 20.082 -21.577 -21.436 -99.200 -91.000 TRP 67 1.040 23.023 -25.925 -23.984 -99.200 -91.000 TRP6 67 1.020 23.147 -23.862 -25.133 -99.200 -91.000 PHE 77 1.000 32.687 -26.900 -9.968 -99.200 -91.000 TRP 86 1.040 42.543 -43.991 -13.284 -99.200 -91.000 TRP6 86 1.020 40.296 -44.328 -12.624 -99.200 -91.000 TYR 96 0.840 42.850 -54.441 2.810 -99.200 -91.000 PHE 101 1.000 28.220 -43.387 0.004 -99.200 -91.000 HIS 103 0.900 23.763 -42.487 -7.134 -99.200 -91.000 PHE 108 1.000 27.945 -37.696 -11.184 -99.200 -91.000 TYR 112 0.840 27.430 -39.081 -2.193 -99.200 -91.000 HIS 122 0.900 40.445 -43.820 9.080 -99.200 -91.000 PHE 124 1.000 35.918 -49.863 6.974 -99.200 -91.000 HIS 131 0.900 21.923 -47.059 -6.613 -99.200 -91.000 TYR 140 0.840 29.550 -44.709 -18.833 -99.200 -91.000 TYR 141 0.840 22.045 -48.245 -21.004 -99.200 -91.000 PHE 142 1.000 29.660 -49.266 -22.794 -99.200 -91.000 TRP 155 1.040 26.371 -40.747 -21.893 -99.200 -91.000 TRP6 155 1.020 27.387 -40.568 -19.758 -99.200 -91.000 TYR 157 0.840 21.621 -37.351 -19.914 -99.200 -91.000 HIS 168 0.900 4.392 -48.601 -7.596 -99.200 -91.000 HIS 193 0.900 33.416 -67.093 -5.629 -99.200 -91.000 PHE 205 1.000 42.560 -52.792 -9.044 -99.200 -91.000 HIS 224 0.900 23.737 -37.239 0.810 -99.200 -91.000 PHE 226 1.000 15.750 -42.644 -4.348 -99.200 -91.000 PHE 241 1.000 25.106 -55.173 1.767 -99.200 -91.000 TRP 250 1.040 13.296 -38.305 0.325 -99.200 -91.000 TRP6 250 1.020 13.205 -39.205 -1.874 -99.200 -91.000 PHE 252 1.000 7.322 -39.954 -1.104 -99.200 -91.000 TYR 259 0.840 9.891 -48.415 8.588 -99.200 -91.000 PHE 267 1.000 25.880 -43.263 13.847 -99.200 -91.000 PHE 268 1.000 17.854 -43.816 11.059 -99.200 -91.000 TYR 273 0.840 20.732 -25.240 9.296 -99.200 -91.000 PHE 274 1.000 16.710 -33.839 3.418 -99.200 -91.000 TYR 276 0.840 11.110 -34.064 5.175 -99.200 -91.000 TYR 287 0.840 15.590 -44.921 17.060 -99.200 -91.000 HIS 303 0.900 20.393 -31.751 0.525 -99.200 -91.000 PHE 306 1.000 25.731 -36.108 6.015 -99.200 -91.000 PHE 309 1.000 29.396 -30.660 -7.504 -99.200 -91.000 PHE 311 1.000 34.821 -31.496 1.570 -99.200 -91.000 HIS 319 0.900 25.481 -20.047 4.476 -99.200 -91.000 PHE 343 1.000 26.284 -48.137 13.938 -99.200 -91.000 HIS 347 0.900 26.836 -51.650 16.173 -99.200 -91.000 HIS 351 0.900 39.435 -58.020 16.243 -99.200 -91.000 PHE 354 1.000 38.846 -47.761 12.580 -99.200 -91.000 TRP 357 1.040 37.487 -40.693 16.535 -99.200 -91.000 TRP6 357 1.020 38.584 -42.022 14.908 -99.200 -91.000