============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 20 1.000 21.734 12.325 37.945 -99.200 -91.000 HIS 22 0.900 13.441 10.389 47.312 -99.200 -91.000 HIS 24 0.900 10.139 13.193 43.238 -99.200 -91.000 PHE 37 1.000 13.805 10.233 52.922 -99.200 -91.000 HIS 56 0.900 41.063 16.932 56.230 -99.200 -91.000 PHE 60 1.000 24.083 16.033 57.089 -99.200 -91.000 HIS 72 0.900 4.022 14.162 48.009 -99.200 -91.000 TYR 76 0.840 3.809 12.731 61.243 -99.200 -91.000 HIS 91 0.900 30.052 15.333 61.896 -99.200 -91.000 PHE 95 1.000 15.919 16.956 58.481 -99.200 -91.000 HIS 96 0.900 17.427 26.332 57.593 -99.200 -91.000 PHE 120 1.000 11.269 17.201 59.571 -99.200 -91.000 PHE 128 1.000 10.684 24.166 54.224 -99.200 -91.000 TYR 130 0.840 19.856 17.656 54.427 -99.200 -91.000 HIS 131 0.900 22.401 24.385 59.107 -99.200 -91.000 TRP 140 1.040 35.633 23.684 60.673 -99.200 -91.000 TRP6 140 1.020 36.036 21.868 62.114 -99.200 -91.000 HIS 141 0.900 30.797 19.998 62.312 -99.200 -91.000 HIS 159 0.900 -2.021 23.139 41.779 -99.200 -91.000 TYR 168 0.840 8.920 17.948 39.389 -99.200 -91.000 TYR 172 0.840 18.901 17.389 36.114 -99.200 -91.000 TYR 173 0.840 20.085 19.757 46.541 -99.200 -91.000 PHE 179 1.000 33.993 23.309 49.667 -99.200 -91.000 TYR 180 0.840 34.166 30.801 53.406 -99.200 -91.000 TYR 189 0.840 43.658 27.590 47.261 -99.200 -91.000 TYR 192 0.840 45.326 22.741 57.150 -99.200 -91.000 TYR 199 0.840 37.548 25.702 64.596 -99.200 -91.000 HIS 213 0.900 38.681 26.794 45.917 -99.200 -91.000 PHE 216 1.000 26.404 26.074 40.756 -99.200 -91.000 HIS 241 0.900 21.478 27.306 43.054 -99.200 -91.000 HIS 251 0.900 20.914 34.511 33.709 -99.200 -91.000 HIS 256 0.900 14.129 33.979 29.683 -99.200 -91.000 TYR 259 0.840 4.982 29.222 35.722 -99.200 -91.000 TRP 261 1.040 6.838 28.201 43.846 -99.200 -91.000 TRP6 261 1.020 7.065 26.811 41.952 -99.200 -91.000 PHE 266 1.000 7.260 24.033 46.391 -99.200 -91.000 TRP 277 1.040 16.270 31.546 40.370 -99.200 -91.000 TRP6 277 1.020 16.359 31.332 38.016 -99.200 -91.000 PHE 278 1.000 19.695 37.532 47.070 -99.200 -91.000 PHE 288 1.000 7.402 23.716 35.699 -99.200 -91.000 TYR 289 0.840 13.510 27.790 30.342 -99.200 -91.000 PHE 291 1.000 16.140 23.554 29.541 -99.200 -91.000 TYR 297 0.840 19.624 26.249 27.217 -99.200 -91.000 TYR 299 0.840 21.201 26.786 37.655 -99.200 -91.000 HIS 302 0.900 24.600 37.112 35.436 -99.200 -91.000 PHE 308 1.000 31.046 31.897 33.488 -99.200 -91.000 HIS 315 0.900 28.994 23.797 30.670 -99.200 -91.000 PHE 316 1.000 20.141 22.344 33.227 -99.200 -91.000 TRP 322 1.040 17.790 27.889 16.253 -99.200 -91.000 TRP6 322 1.020 18.875 28.465 18.268 -99.200 -91.000