============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. HIS 14 0.900 38.293 3.160 29.392 -99.200 -91.000 HIS 35 0.900 22.715 14.111 30.103 -99.200 -91.000 PHE 56 1.000 18.790 -3.748 27.712 -99.200 -91.000 PHE 65 1.000 8.145 -3.978 31.543 -99.200 -91.000 TYR 88 0.840 -7.402 -14.221 44.019 -99.200 -91.000 HIS 106 0.900 10.748 -10.964 45.503 -99.200 -91.000 TYR 111 0.840 15.273 -23.384 47.444 -99.200 -91.000 TYR 113 0.840 12.312 -21.396 39.808 -99.200 -91.000 PHE 118 1.000 20.029 -20.687 36.371 -99.200 -91.000 PHE 125 1.000 22.998 -20.069 28.798 -99.200 -91.000 PHE 133 1.000 12.185 -25.666 33.246 -99.200 -91.000 TYR 135 0.840 3.486 -18.927 34.070 -99.200 -91.000 HIS 145 0.900 15.053 -26.818 47.742 -99.200 -91.000 TYR 155 0.840 13.847 -8.618 50.076 -99.200 -91.000 TYR 157 0.840 14.601 -10.945 43.625 -99.200 -91.000 PHE 162 1.000 7.078 -10.372 41.227 -99.200 -91.000 HIS 175 0.900 -7.212 -11.987 27.872 -99.200 -91.000 TYR 181 0.840 4.336 -9.231 30.890 -99.200 -91.000 PHE 186 1.000 5.531 -5.427 26.526 -99.200 -91.000 PHE 195 1.000 9.964 -6.675 20.271 -99.200 -91.000 TYR 196 0.840 6.844 -13.097 28.522 -99.200 -91.000 HIS 198 0.900 8.025 -19.005 27.883 -99.200 -91.000 HIS 207 0.900 20.115 -9.744 18.876 -99.200 -91.000 TYR 211 0.840 29.374 -11.960 24.008 -99.200 -91.000 TRP 231 1.040 16.050 -19.582 33.036 -99.200 -91.000 TRP6 231 1.020 16.450 -17.789 34.532 -99.200 -91.000 PHE 248 1.000 7.371 -0.531 33.262 -99.200 -91.000 PHE 249 1.000 11.262 0.549 35.900 -99.200 -91.000 TRP 269 1.040 9.706 2.334 49.636 -99.200 -91.000 TRP6 269 1.020 9.853 1.469 47.436 -99.200 -91.000 TYR 278 0.840 11.256 -6.297 45.318 -99.200 -91.000 TYR 294 0.840 11.642 6.067 44.585 -99.200 -91.000 HIS 296 0.900 13.202 -5.650 40.024 -99.200 -91.000 TYR 303 0.840 21.756 -9.952 27.208 -99.200 -91.000 TYR 304 0.840 25.892 -8.510 36.076 -99.200 -91.000 TYR 306 0.840 22.781 -1.714 38.391 -99.200 -91.000 PHE 308 1.000 17.038 1.054 40.269 -99.200 -91.000 PHE 341 1.000 18.439 8.993 38.898 -99.200 -91.000