============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 9 1.000 9.467 12.387 39.566 -99.200 -91.000 PHE 38 1.000 11.452 17.087 26.372 -99.200 -91.000 PHE 40 1.000 14.690 13.254 31.280 -99.200 -91.000 TYR 49 0.840 15.118 13.578 25.329 -99.200 -91.000 PHE 65 1.000 24.614 21.035 16.782 -99.200 -91.000 PHE 75 1.000 23.497 2.644 30.672 -99.200 -91.000 PHE 79 1.000 24.485 -5.412 23.973 -99.200 -91.000 PHE 85 1.000 22.932 1.811 15.858 -99.200 -91.000 TRP 88 1.040 32.688 7.822 21.520 -99.200 -91.000 TRP6 88 1.020 31.097 9.465 22.205 -99.200 -91.000 HIS 90 0.900 35.977 10.839 19.220 -99.200 -91.000 TRP 94 1.040 31.929 5.261 11.988 -99.200 -91.000 TRP6 94 1.020 32.336 7.003 10.406 -99.200 -91.000 HIS 98 0.900 30.546 4.270 6.248 -99.200 -91.000 PHE 105 1.000 25.364 -3.247 4.289 -99.200 -91.000 TYR 113 0.840 23.985 -8.906 0.612 -99.200 -91.000 HIS 114 0.900 15.530 -10.639 -5.022 -99.200 -91.000 TRP 128 1.040 2.701 -16.549 8.323 -99.200 -91.000 TRP6 128 1.020 2.671 -14.249 7.722 -99.200 -91.000 HIS 136 0.900 -3.505 -16.790 17.019 -99.200 -91.000 PHE 156 1.000 27.078 -11.871 9.963 -99.200 -91.000 TYR 158 0.840 24.814 -19.745 12.485 -99.200 -91.000 PHE 160 1.000 21.097 -16.333 13.721 -99.200 -91.000 PHE 163 1.000 10.230 -18.245 9.296 -99.200 -91.000 TYR 164 0.840 13.371 -25.853 9.682 -99.200 -91.000 HIS 169 0.900 18.722 -18.783 17.569 -99.200 -91.000 PHE 171 1.000 22.169 -12.747 18.506 -99.200 -91.000 TYR 196 0.840 19.524 -1.411 40.484 -99.200 -91.000 PHE 203 1.000 24.196 -5.835 29.914 -99.200 -91.000 HIS 232 0.900 33.113 -7.386 1.316 -99.200 -91.000 TYR 252 0.840 33.621 -5.296 21.034 -99.200 -91.000 PHE 257 1.000 27.250 -4.215 10.079 -99.200 -91.000 HIS 262 0.900 17.228 -9.322 14.690 -99.200 -91.000 PHE 271 1.000 5.465 -0.053 15.116 -99.200 -91.000 TYR 274 0.840 -1.671 -0.907 14.254 -99.200 -91.000 PHE 275 1.000 0.577 2.652 11.347 -99.200 -91.000 HIS 281 0.900 -11.355 2.414 1.628 -99.200 -91.000 TYR 301 0.840 18.003 -5.766 -6.933 -99.200 -91.000 TYR 309 0.840 -0.090 2.514 -2.088 -99.200 -91.000 TRP 321 1.040 3.876 4.210 15.832 -99.200 -91.000 TRP6 321 1.020 4.440 5.344 17.854 -99.200 -91.000 PHE 327 1.000 19.155 11.327 14.351 -99.200 -91.000 TYR 330 0.840 30.300 15.339 19.893 -99.200 -91.000 TYR 341 0.840 15.666 27.235 22.450 -99.200 -91.000 HIS 357 0.900 9.978 10.535 11.054 -99.200 -91.000 TRP 363 1.040 5.866 15.363 8.210 -99.200 -91.000 TRP6 363 1.020 6.544 13.929 6.428 -99.200 -91.000 PHE 370 1.000 0.186 3.480 6.842 -99.200 -91.000 PHE 375 1.000 6.990 9.113 3.283 -99.200 -91.000 HIS 384 0.900 19.004 17.507 7.348 -99.200 -91.000 PHE 386 1.000 10.760 9.187 6.109 -99.200 -91.000 PHE 389 1.000 16.063 3.686 6.934 -99.200 -91.000 PHE 401 1.000 20.294 -7.055 4.349 -99.200 -91.000 HIS 404 0.900 15.700 -5.978 -2.761 -99.200 -91.000 HIS 416 0.900