============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 22 0.840 3.109 77.154 8.440 -99.200 -91.000 TRP 23 1.040 -2.216 74.363 13.539 -99.200 -91.000 TRP6 23 1.020 -2.792 76.623 13.149 -99.200 -91.000 PHE 39 1.000 24.050 83.365 1.207 -99.200 -91.000 PHE 48 1.000 19.676 88.056 11.103 -99.200 -91.000 PHE 55 1.000 12.018 70.073 0.260 -99.200 -91.000 PHE 60 1.000 8.799 64.936 0.129 -99.200 -91.000 PHE 72 1.000 11.190 79.331 -9.025 -99.200 -91.000 HIS 74 0.900 14.302 71.204 -6.073 -99.200 -91.000 PHE 75 1.000 11.727 75.459 -0.596 -99.200 -91.000 PHE 131 1.000 18.968 70.887 -19.411 -99.200 -91.000 PHE 173 1.000 -12.881 84.085 -3.689 -99.200 -91.000 TYR 180 0.840 -13.962 82.247 -16.887 -99.200 -91.000 TYR 198 0.840 20.087 86.897 3.160 -99.200 -91.000 PHE 201 1.000 14.933 91.771 -0.901 -99.200 -91.000 PHE 209 1.000 21.631 95.796 7.708 -99.200 -91.000 HIS 216 0.900 15.693 86.463 21.055 -99.200 -91.000 PHE 221 1.000 2.415 94.168 14.175 -99.200 -91.000 PHE 228 1.000 12.747 91.629 4.032 -99.200 -91.000 TYR 253 0.840 -7.931 72.278 5.910 -99.200 -91.000 TYR 259 0.840 -7.744 88.992 -5.096 -99.200 -91.000 TYR 266 0.840 3.930 108.081 -0.565 -99.200 -91.000 HIS 267 0.900 9.395 105.171 -2.352 -99.200 -91.000 TRP 284 1.040 -13.069 99.049 -1.633 -99.200 -91.000 TRP6 284 1.020 -15.163 98.979 -2.729 -99.200 -91.000 TYR 298 0.840 -5.254 85.505 13.121 -99.200 -91.000 HIS 302 0.900 3.517 92.468 4.169 -99.200 -91.000 HIS 324 0.900 -14.480 93.817 15.694 -99.200 -91.000 TYR 326 0.840 -7.609 100.223 19.878 -99.200 -91.000 HIS 339 0.900 8.199 89.391 3.399 -99.200 -91.000 TYR 378 0.840 0.161 94.542 17.270 -99.200 -91.000 PHE 396 1.000 -1.381 95.790 3.832 -99.200 -91.000 PHE 398 1.000 9.592 95.147 0.010 -99.200 -91.000 HIS 401 0.900 2.221 95.196 -6.639 -99.200 -91.000 PHE 407 1.000 -8.720 82.581 3.068 -99.200 -91.000 TYR 410 0.840 -19.448 74.373 4.036 -99.200 -91.000