============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 1 1.000 -11.890 27.564 -15.638 -99.200 -91.000 TYR 16 0.840 -21.520 40.427 -4.810 -99.200 -91.000 TYR 17 0.840 -27.542 34.480 -2.280 -99.200 -91.000 PHE 40 1.000 -19.145 25.248 4.600 -99.200 -91.000 HIS 47 0.900 -32.104 34.009 13.652 -99.200 -91.000 PHE 49 1.000 -33.957 37.942 11.646 -99.200 -91.000 HIS 51 0.900 -35.102 32.799 2.591 -99.200 -91.000 TYR 53 0.840 -33.424 24.728 10.109 -99.200 -91.000 TYR 54 0.840 -24.922 20.448 8.355 -99.200 -91.000 TYR 62 0.840 -22.356 15.879 12.240 -99.200 -91.000 TYR 70 0.840 -18.631 33.492 22.365 -99.200 -91.000 TYR 73 0.840 -19.996 39.590 14.728 -99.200 -91.000 TRP 78 1.040 -19.468 32.829 13.596 -99.200 -91.000 TRP6 78 1.020 -18.875 30.534 13.753 -99.200 -91.000 HIS 91 0.900 -25.436 26.271 -10.766 -99.200 -91.000 PHE 110 1.000 -22.720 35.059 11.098 -99.200 -91.000 PHE 111 1.000 -27.525 33.211 10.558 -99.200 -91.000 TRP 117 1.040 -26.326 36.125 3.482 -99.200 -91.000 TRP6 117 1.020 -25.516 35.844 5.676 -99.200 -91.000 TYR 125 0.840 -3.975 32.520 2.612 -99.200 -91.000 PHE 138 1.000 -14.973 24.384 0.323 -99.200 -91.000 PHE 139 1.000 -9.920 27.346 -2.967 -99.200 -91.000 HIS 147 0.900 -5.547 15.159 -9.276 -99.200 -91.000 PHE 152 1.000 -10.725 32.631 -3.838 -99.200 -91.000 HIS 173 0.900 -7.905 33.945 -19.993 -99.200 -91.000 TYR 176 0.840 -8.750 39.223 -17.655 -99.200 -91.000 TRP 181 1.040 -1.059 45.569 -14.843 -99.200 -91.000 TRP6 181 1.020 1.253 46.141 -14.939 -99.200 -91.000 TYR 182 0.840 -1.319 38.000 -11.478 -99.200 -91.000 TRP 189 1.040 -2.593 38.057 8.008 -99.200 -91.000 TRP6 189 1.020 -2.805 39.349 10.002 -99.200 -91.000 TYR 190 0.840 -7.840 39.238 8.490 -99.200 -91.000 TYR 191 0.840 -7.201 35.562 0.236 -99.200 -91.000 TYR 212 0.840 -1.090 56.121 1.621 -99.200 -91.000 TYR 214 0.840 -1.396 52.078 12.930 -99.200 -91.000 PHE 233 1.000 -13.229 59.049 6.622 -99.200 -91.000 PHE 249 1.000 -22.155 67.133 -1.447 -99.200 -91.000 PHE 253 1.000 -22.281 62.373 1.266 -99.200 -91.000 TRP 254 1.040 -18.044 65.287 3.335 -99.200 -91.000 TRP6 254 1.020 -17.762 64.586 1.098 -99.200 -91.000 TRP 262 1.040 -27.711 65.724 -5.967 -99.200 -91.000 TRP6 262 1.020 -26.408 64.166 -4.754 -99.200 -91.000 TRP 269 1.040 -22.936 59.665 -12.156 -99.200 -91.000 TRP6 269 1.020 -23.063 58.425 -10.126 -99.200 -91.000 PHE 272 1.000 -19.751 63.593 -5.617 -99.200 -91.000 TYR 278 0.840 -0.160 55.088 -8.248 -99.200 -91.000 PHE 288 1.000 -1.252 46.378 -9.587 -99.200 -91.000 TYR 297 0.840 -16.068 58.112 -4.588 -99.200 -91.000 TYR 312 0.840 -26.832 58.077 -5.697 -99.200 -91.000 PHE 314 1.000 -17.323 59.521 1.091 -99.200 -91.000 PHE 333 1.000 -10.516 47.748 -10.308 -99.200 -91.000 TYR 334 0.840 -11.719 37.487 -13.320 -99.200 -91.000 PHE 337 1.000 -9.329 37.024 -3.819 -99.200 -91.000 PHE 346 1.000 -6.806 44.070 -7.063 -99.200 -91.000 HIS 352 0.900 -15.996 49.255 -15.284 -99.200 -91.000 HIS 354 0.900 -18.402 50.266 -19.090 -99.200 -91.000 PHE 357 1.000 -18.733 63.213 -20.359 -99.200 -91.000 PHE 366 1.000 1.665 54.159 -13.110 -99.200 -91.000 TYR 376 0.840 2.140 47.328 12.876 -99.200 -91.000