============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TRP 22 1.040 5.683 42.920 20.647 -99.200 -91.000 TRP6 22 1.020 4.442 40.917 20.776 -99.200 -91.000 PHE 33 1.000 -8.083 52.038 24.127 -99.200 -91.000 TYR 40 0.840 11.507 44.678 24.881 -99.200 -91.000 TYR 41 0.840 13.334 39.290 30.262 -99.200 -91.000 TYR 66 0.840 7.989 39.639 37.250 -99.200 -91.000 TYR 85 0.840 18.856 39.098 10.673 -99.200 -91.000 TRP 91 1.040 22.366 32.137 17.989 -99.200 -91.000 TRP6 91 1.020 24.005 31.620 19.608 -99.200 -91.000 PHE 107 1.000 -4.553 22.890 26.449 -99.200 -91.000 TRP 123 1.040 -12.552 19.803 9.950 -99.200 -91.000 TRP6 123 1.020 -10.402 20.769 10.018 -99.200 -91.000 HIS 132 0.900 4.338 15.888 26.720 -99.200 -91.000 TYR 134 0.840 10.393 17.966 29.371 -99.200 -91.000 PHE 137 1.000 11.629 16.128 16.094 -99.200 -91.000 TYR 138 0.840 9.620 19.410 18.781 -99.200 -91.000 PHE 144 1.000 26.760 10.645 8.256 -99.200 -91.000 HIS 180 0.900 14.028 13.138 28.004 -99.200 -91.000 HIS 188 0.900 2.704 17.232 36.189 -99.200 -91.000 PHE 189 1.000 -0.098 15.359 26.046 -99.200 -91.000 PHE 194 1.000 -7.633 12.744 30.357 -99.200 -91.000 TYR 196 0.840 -8.715 23.673 26.113 -99.200 -91.000 TRP 205 1.040 -11.938 12.553 19.501 -99.200 -91.000 TRP6 205 1.020 -12.169 12.390 17.169 -99.200 -91.000 PHE 206 1.000 -2.248 10.699 23.672 -99.200 -91.000 TYR 216 0.840 9.307 7.655 23.691 -99.200 -91.000 PHE 220 1.000 3.924 10.113 25.279 -99.200 -91.000 PHE 224 1.000 -3.070 11.572 27.424 -99.200 -91.000 PHE 228 1.000 -11.672 9.483 31.000 -99.200 -91.000 TYR 232 0.840 -9.044 14.607 35.009 -99.200 -91.000 PHE 236 1.000 -13.233 14.030 30.195 -99.200 -91.000 TYR 243 0.840 -8.652 9.299 26.674 -99.200 -91.000 PHE 244 1.000 -11.864 7.484 19.338 -99.200 -91.000 TYR 245 0.840 -4.657 5.449 22.564 -99.200 -91.000 TRP 264 1.040 -5.671 15.158 17.283 -99.200 -91.000 TRP6 264 1.020 -5.288 15.801 15.029 -99.200 -91.000 TYR 269 0.840 6.830 15.109 13.747 -99.200 -91.000 PHE 282 1.000 -11.273 25.056 12.047 -99.200 -91.000 TYR 296 0.840 6.331 21.620 36.998 -99.200 -91.000 TYR 298 0.840 6.436 27.947 35.683 -99.200 -91.000 PHE 299 1.000 -1.728 29.921 32.993 -99.200 -91.000 TYR 301 0.840 -2.127 33.286 27.422 -99.200 -91.000 HIS 305 0.900 2.114 34.580 12.952 -99.200 -91.000 HIS 311 0.900 3.415 40.148 3.881 -99.200 -91.000 TYR 312 0.840 12.302 43.375 8.836 -99.200 -91.000 TYR 313 0.840 14.615 41.321 3.324 -99.200 -91.000 HIS 315 0.900 7.247 48.518 8.021 -99.200 -91.000 TYR 330 0.840 -8.211 36.707 19.133 -99.200 -91.000 TRP 332 1.040 0.848 42.020 22.759 -99.200 -91.000 TRP6 332 1.020 1.914 42.954 24.655 -99.200 -91.000 PHE 351 1.000 -8.501 46.965 26.096 -99.200 -91.000 TYR 367 0.840 -15.380 47.501 6.282 -99.200 -91.000 PHE 389 1.000 -7.480 43.661 11.020 -99.200 -91.000