============================================================================= 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. TYR 17 0.840 18.687 27.506 -11.624 -99.200 -91.000 PHE 31 1.000 22.073 16.887 3.474 -99.200 -91.000 TYR 32 0.840 20.019 19.321 -0.514 -99.200 -91.000 HIS 39 0.900 14.231 29.972 4.760 -99.200 -91.000 TYR 42 0.840 5.425 24.428 -7.362 -99.200 -91.000 TYR 49 0.840 11.306 24.535 -8.832 -99.200 -91.000 PHE 53 1.000 17.284 34.876 7.155 -99.200 -91.000 PHE 56 1.000 16.983 39.885 -6.147 -99.200 -91.000 HIS 58 0.900 10.727 29.963 -7.883 -99.200 -91.000 HIS 59 0.900 15.006 28.173 -9.021 -99.200 -91.000 PHE 76 1.000 27.959 30.091 -13.899 -99.200 -91.000 TYR 90 0.840 31.933 33.316 -25.408 -99.200 -91.000 TYR 91 0.840 28.902 28.799 -23.721 -99.200 -91.000 PHE 105 1.000 16.361 24.786 -20.770 -99.200 -91.000 PHE 121 1.000 31.961 20.434 -15.493 -99.200 -91.000 TYR 123 0.840 29.345 26.590 -17.051 -99.200 -91.000 PHE 125 1.000 26.033 30.955 -19.527 -99.200 -91.000 PHE 126 1.000 18.821 32.797 -14.015 -99.200 -91.000 PHE 127 1.000 17.335 40.532 -16.211 -99.200 -91.000 HIS 131 0.900 12.715 40.340 -8.772 -99.200 -91.000 HIS 136 0.900 16.726 41.772 3.959 -99.200 -91.000 TYR 139 0.840 17.445 39.104 11.808 -99.200 -91.000 TYR 142 0.840 20.009 33.780 11.280 -99.200 -91.000 HIS 152 0.900 32.345 28.076 -3.500 -99.200 -91.000 PHE 153 1.000 27.043 26.893 -9.535 -99.200 -91.000 TYR 166 0.840 34.667 27.498 -21.075 -99.200 -91.000 PHE 172 1.000 32.971 32.631 -14.545 -99.200 -91.000 TYR 186 0.840 49.148 19.473 -8.609 -99.200 -91.000 TRP 189 1.040 39.384 28.208 -5.185 -99.200 -91.000 TRP6 189 1.020 41.271 26.778 -5.209 -99.200 -91.000 HIS 191 0.900 35.949 38.209 -9.089 -99.200 -91.000 HIS 197 0.900 35.369 29.874 -4.698 -99.200 -91.000 HIS 210 0.900 35.217 18.425 -4.789 -99.200 -91.000 HIS 211 0.900 32.966 22.250 -3.460 -99.200 -91.000 PHE 214 1.000 23.211 26.477 -0.864 -99.200 -91.000 HIS 217 0.900 23.887 36.427 8.289 -99.200 -91.000 HIS 220 0.900 27.264 32.043 15.447 -99.200 -91.000 HIS 245 0.900 38.449 25.836 2.258 -99.200 -91.000 PHE 251 1.000 35.058 27.739 10.797 -99.200 -91.000 TYR 252 0.840 37.453 23.619 5.266 -99.200 -91.000 TYR 254 0.840 34.634 21.076 1.445 -99.200 -91.000 HIS 261 0.900 24.009 15.047 -6.253 -99.200 -91.000 TYR 266 0.840 33.613 30.208 0.773 -99.200 -91.000 TYR 270 0.840 40.712 37.013 -0.566 -99.200 -91.000 TYR 271 0.840 36.371 44.448 -3.511 -99.200 -91.000 TRP 282 1.040 47.495 29.353 -1.445 -99.200 -91.000 TRP6 282 1.020 47.844 29.357 0.908 -99.200 -91.000 HIS 285 0.900 54.690 18.694 -3.322 -99.200 -91.000 TRP 292 1.040 45.719 29.589 8.415 -99.200 -91.000 TRP6 292 1.020 47.493 30.330 7.004 -99.200 -91.000 TRP 293 1.040 42.911 26.247 11.535 -99.200 -91.000 TRP6 293 1.020 40.645 25.687 11.944 -99.200 -91.000 TRP 301 1.040 37.101 18.056 -0.430 -99.200 -91.000 TRP6 301 1.020 38.335 19.346 -1.992 -99.200 -91.000 TYR 302 0.840 42.984 15.746 -2.441 -99.200 -91.000 PHE 336 1.000 57.966 17.161 1.406 -99.200 -91.000 PHE 338 1.000 55.841 23.399 1.913 -99.200 -91.000 TYR 348 0.840 52.835 16.105 8.367 -99.200 -91.000 HIS 349 0.900 59.630 13.153 3.974 -99.200 -91.000 PHE 356 1.000 44.229 10.521 11.728 -99.200 -91.000