============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 15 0.840 22.241 48.456 75.348 -99.200 -91.000 TYR 20 0.840 19.779 40.092 70.339 -99.200 -91.000 TYR 21 0.840 21.659 48.127 67.721 -99.200 -91.000 PHE 33 1.000 18.569 57.248 59.681 -99.200 -91.000 PHE 37 1.000 17.154 44.699 60.011 -99.200 -91.000 TRP 45 1.040 9.350 53.556 63.308 -99.200 -91.000 TRP6 45 1.020 10.706 54.728 64.857 -99.200 -91.000 TYR 55 0.840 7.896 64.777 70.603 -99.200 -91.000 TYR 60 0.840 20.382 62.085 74.796 -99.200 -91.000 HIS 61 0.900 17.378 57.359 69.738 -99.200 -91.000 PHE 64 1.000 15.707 60.739 54.963 -99.200 -91.000 TYR 72 0.840 11.977 63.720 50.321 -99.200 -91.000 HIS 74 0.900 5.613 65.803 49.690 -99.200 -91.000 TYR 83 0.840 5.762 50.037 66.669 -99.200 -91.000 PHE 91 1.000 7.146 63.920 57.223 -99.200 -91.000 PHE 108 1.000 12.170 56.839 54.524 -99.200 -91.000 PHE 119 1.000 10.117 54.576 70.570 -99.200 -91.000 PHE 124 1.000 15.014 50.273 69.010 -99.200 -91.000 PHE 132 1.000 3.102 37.398 56.410 -99.200 -91.000 PHE 144 1.000 11.823 38.984 52.499 -99.200 -91.000 PHE 158 1.000 11.535 37.651 57.263 -99.200 -91.000 PHE 160 1.000 15.091 38.424 62.284 -99.200 -91.000 TYR 161 0.840 23.493 33.384 65.817 -99.200 -91.000 TYR 162 0.840 17.502 38.431 67.559 -99.200 -91.000 HIS 184 0.900 25.715 31.878 63.052 -99.200 -91.000 TYR 185 0.840 20.179 25.737 60.264 -99.200 -91.000 PHE 189 1.000 15.635 25.908 59.857 -99.200 -91.000 HIS 190 0.900 12.044 19.227 63.972 -99.200 -91.000 TYR 191 0.840 10.082 24.282 58.247 -99.200 -91.000 TRP 200 1.040 6.155 37.162 60.092 -99.200 -91.000 TRP6 200 1.020 6.476 35.386 58.538 -99.200 -91.000 TYR 230 0.840 12.537 41.362 78.515 -99.200 -91.000 PHE 252 1.000 7.505 49.942 84.134 -99.200 -91.000 TYR 254 0.840 5.868 38.831 87.228 -99.200 -91.000 PHE 269 1.000 7.660 28.876 76.144 -99.200 -91.000 HIS 270 0.900 2.885 20.073 72.239 -99.200 -91.000 TYR 276 0.840 10.320 24.238 69.419 -99.200 -91.000 TYR 283 0.840 13.210 30.511 83.314 -99.200 -91.000 PHE 285 1.000 18.067 39.238 81.323 -99.200 -91.000 TYR 289 0.840 25.873 32.091 90.494 -99.200 -91.000 HIS 298 0.900 9.372 41.788 81.069 -99.200 -91.000 TRP 310 1.040 1.301 32.306 75.878 -99.200 -91.000 TRP6 310 1.020 2.655 32.144 77.813 -99.200 -91.000 PHE 316 1.000 10.898 29.510 71.306 -99.200 -91.000 PHE 320 1.000 14.508 26.163 70.978 -99.200 -91.000 TYR 321 0.840 19.133 30.325 61.849 -99.200 -91.000 PHE 324 1.000 10.549 35.014 61.717 -99.200 -91.000 PHE 333 1.000 10.241 28.524 66.284 -99.200 -91.000