============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 5 0.900 15.161 15.670 57.819 -99.200 -91.000 TYR 11 0.840 17.171 22.062 50.474 -99.200 -91.000 TYR 27 0.840 9.887 47.717 48.002 -99.200 -91.000 PHE 59 1.000 21.581 38.222 66.248 -99.200 -91.000 HIS 61 0.900 19.552 29.303 57.040 -99.200 -91.000 TYR 62 0.840 23.884 33.259 57.432 -99.200 -91.000 PHE 70 1.000 28.988 25.278 60.088 -99.200 -91.000 TYR 72 0.840 25.386 15.962 64.804 -99.200 -91.000 TRP 86 1.040 31.043 30.959 62.377 -99.200 -91.000 TRP6 86 1.020 31.026 29.479 64.224 -99.200 -91.000 HIS 89 0.900 26.848 30.889 57.623 -99.200 -91.000 TRP 111 1.040 17.255 61.094 48.077 -99.200 -91.000 TRP6 111 1.020 16.190 59.801 49.740 -99.200 -91.000 PHE 114 1.000 19.691 56.487 52.282 -99.200 -91.000 PHE 118 1.000 19.434 50.907 51.650 -99.200 -91.000 PHE 127 1.000 27.142 38.127 43.681 -99.200 -91.000 PHE 134 1.000 24.042 27.897 42.798 -99.200 -91.000 PHE 140 1.000 26.418 22.866 55.338 -99.200 -91.000 TYR 141 0.840 21.068 23.686 53.287 -99.200 -91.000 TRP 153 1.040 19.314 14.735 59.124 -99.200 -91.000 TRP6 153 1.020 20.104 16.953 58.849 -99.200 -91.000 TYR 165 0.840 12.760 26.775 63.857 -99.200 -91.000 TYR 166 0.840 14.943 35.404 57.608 -99.200 -91.000 TRP 173 1.040 11.143 14.240 61.012 -99.200 -91.000 TRP6 173 1.020 13.441 13.949 61.540 -99.200 -91.000 HIS 183 0.900 23.276 14.984 71.978 -99.200 -91.000 TRP 185 1.040 28.849 12.663 73.029 -99.200 -91.000 TRP6 185 1.020 27.670 14.724 73.117 -99.200 -91.000 PHE 214 1.000 37.172 9.715 58.431 -99.200 -91.000 TYR 231 0.840 28.944 12.813 80.076 -99.200 -91.000 PHE 241 1.000 31.167 23.709 93.323 -99.200 -91.000 PHE 250 1.000 22.731 21.854 99.105 -99.200 -91.000 PHE 259 1.000 30.757 21.844 97.811 -99.200 -91.000 PHE 260 1.000 33.939 23.535 103.916 -99.200 -91.000 PHE 267 1.000 31.794 36.244 105.832 -99.200 -91.000 HIS 282 0.900 24.718 30.816 111.066 -99.200 -91.000 TYR 288 0.840 12.965 35.988 114.887 -99.200 -91.000 PHE 297 1.000 15.591 31.536 101.240 -99.200 -91.000 PHE 307 1.000 21.170 39.163 105.415 -99.200 -91.000 TRP 308 1.040 24.760 46.052 100.696 -99.200 -91.000 TRP6 308 1.020 22.571 45.562 99.958 -99.200 -91.000 TYR 315 0.840 30.101 47.334 99.221 -99.200 -91.000 TYR 317 0.840 25.074 40.804 96.552 -99.200 -91.000 TYR 320 0.840 22.354 33.445 103.667 -99.200 -91.000 PHE 324 1.000 12.467 25.920 95.397 -99.200 -91.000 TYR 330 0.840 14.371 23.893 100.943 -99.200 -91.000 TYR 343 0.840 33.108 41.355 90.176 -99.200 -91.000 TRP 355 1.040 47.792 39.011 77.748 -99.200 -91.000 TRP6 355 1.020 46.823 36.856 77.712 -99.200 -91.000