============================================================================= 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. HIS 1 0.900 35.684 7.265 34.021 -99.200 -91.000 PHE 4 1.000 47.299 7.388 35.225 -99.200 -91.000 PHE 5 1.000 45.009 12.476 39.893 -99.200 -91.000 TYR 15 0.840 58.328 8.596 42.651 -99.200 -91.000 TYR 20 0.840 62.468 -5.177 49.286 -99.200 -91.000 PHE 25 1.000 69.087 -6.889 41.694 -99.200 -91.000 PHE 28 1.000 67.680 -14.710 41.407 -99.200 -91.000 TRP 29 1.040 69.227 -10.710 38.764 -99.200 -91.000 TRP6 29 1.020 67.919 -11.841 37.156 -99.200 -91.000 PHE 39 1.000 72.398 -26.137 30.639 -99.200 -91.000 PHE 45 1.000 72.234 -16.221 13.752 -99.200 -91.000 HIS 51 0.900 56.028 -14.683 -1.297 -99.200 -91.000 TYR 58 0.840 70.196 -15.096 7.565 -99.200 -91.000 PHE 62 1.000 68.259 -16.983 21.935 -99.200 -91.000 TYR 65 0.840 66.231 -20.631 33.820 -99.200 -91.000 TRP 73 1.040 60.564 -13.923 13.032 -99.200 -91.000 TRP6 73 1.020 60.520 -15.974 11.855 -99.200 -91.000 TYR 90 0.840 65.471 -7.958 24.495 -99.200 -91.000 TYR 93 0.840 51.557 -9.775 30.038 -99.200 -91.000 PHE 99 1.000 52.867 -14.333 9.865 -99.200 -91.000 HIS 101 0.900 54.609 -10.248 7.174 -99.200 -91.000 TRP 103 1.040 59.151 -8.542 14.356 -99.200 -91.000 TRP6 103 1.020 58.558 -7.378 16.317 -99.200 -91.000 PHE 105 1.000 61.922 2.453 12.602 -99.200 -91.000 TRP 106 1.040 64.762 -0.613 15.121 -99.200 -91.000 TRP6 106 1.020 65.886 1.471 15.299 -99.200 -91.000 TYR 111 0.840 70.536 1.015 13.357 -99.200 -91.000 PHE 114 1.000 68.630 -12.715 18.074 -99.200 -91.000 TRP 125 1.040 50.692 -7.854 21.313 -99.200 -91.000 TRP6 125 1.020 52.282 -7.021 19.772 -99.200 -91.000 TYR 133 0.840 61.488 -25.407 27.162 -99.200 -91.000 TYR 142 0.840 43.959 -13.090 38.204 -99.200 -91.000 PHE 145 1.000 52.381 -15.519 29.950 -99.200 -91.000 TYR 156 0.840 58.167 -13.323 38.674 -99.200 -91.000 TYR 157 0.840 57.150 -15.730 31.753 -99.200 -91.000 TYR 158 0.840 58.157 -11.073 33.429 -99.200 -91.000 PHE 162 1.000 63.694 -9.581 33.509 -99.200 -91.000 PHE 175 1.000 74.121 -12.718 10.401 -99.200 -91.000 PHE 213 1.000 54.155 -5.045 32.719 -99.200 -91.000 HIS 216 0.900 58.055 2.514 42.691 -99.200 -91.000 PHE 217 1.000 57.347 -5.676 39.307 -99.200 -91.000 HIS 227 0.900 44.095 -7.880 34.063 -99.200 -91.000 TYR 229 0.840 52.904 -2.707 36.469 -99.200 -91.000 PHE 235 1.000 49.743 -15.079 43.967 -99.200 -91.000 HIS 239 0.900 47.427 -17.371 46.771 -99.200 -91.000 PHE 247 1.000 54.240 -5.972 46.578 -99.200 -91.000 TYR 252 0.840 65.983 -11.539 44.854 -99.200 -91.000 PHE 253 1.000 62.792 -12.001 39.109 -99.200 -91.000 PHE 258 1.000 67.300 -6.353 36.632 -99.200 -91.000 PHE 268 1.000 65.127 4.885 30.564 -99.200 -91.000 PHE 283 1.000 59.552 11.261 34.284 -99.200 -91.000 TYR 286 0.840 65.547 9.828 32.426 -99.200 -91.000 TYR 288 0.840 66.702 5.364 42.453 -99.200 -91.000 TYR 289 0.840 70.109 3.650 32.163 -99.200 -91.000 TYR 298 0.840 56.7