============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 10 0.840 11.997 27.286 25.331 -99.200 -91.000 TRP 16 1.040 4.312 27.807 29.559 -99.200 -91.000 TRP6 16 1.020 6.673 27.963 29.744 -99.200 -91.000 HIS 28 0.900 -3.470 55.073 33.082 -99.200 -91.000 TRP 30 1.040 -5.762 47.317 29.407 -99.200 -91.000 TRP6 30 1.020 -7.983 46.491 29.263 -99.200 -91.000 HIS 61 0.900 -2.596 36.889 21.536 -99.200 -91.000 HIS 83 0.900 13.966 36.134 32.117 -99.200 -91.000 HIS 85 0.900 16.636 33.035 29.922 -99.200 -91.000 HIS 88 0.900 9.957 35.159 30.273 -99.200 -91.000 HIS 122 0.900 23.096 29.684 34.479 -99.200 -91.000 PHE 123 1.000 18.246 28.403 30.091 -99.200 -91.000 TYR 129 0.840 15.738 35.895 22.291 -99.200 -91.000 PHE 151 1.000 6.296 52.082 32.358 -99.200 -91.000 HIS 154 0.900 12.780 49.114 41.552 -99.200 -91.000 PHE 155 1.000 20.172 47.366 36.246 -99.200 -91.000 HIS 159 0.900 15.354 32.868 34.999 -99.200 -91.000 TRP 166 1.040 11.417 46.943 33.420 -99.200 -91.000 TRP6 166 1.020 12.456 49.077 33.185 -99.200 -91.000 TRP 168 1.040 3.234 50.324 35.639 -99.200 -91.000 TRP6 168 1.020 4.307 48.232 35.254 -99.200 -91.000 TYR 181 0.840 6.508 41.795 33.998 -99.200 -91.000 TYR 190 0.840 19.786 29.321 35.710 -99.200 -91.000 TYR 198 0.840 25.559 35.331 37.687 -99.200 -91.000 HIS 200 0.900 31.555 37.382 42.942 -99.200 -91.000 TYR 205 0.840 19.434 33.271 41.297 -99.200 -91.000 PHE 209 1.000 16.566 34.694 46.506 -99.200 -91.000 HIS 224 0.900 7.000 31.257 32.630 -99.200 -91.000 TRP 230 1.040 -1.194 38.121 39.063 -99.200 -91.000 TRP6 230 1.020 -3.003 39.426 38.277 -99.200 -91.000 TYR 232 0.840 -1.698 36.683 33.418 -99.200 -91.000 TYR 248 0.840 8.376 36.247 42.600 -99.200 -91.000 PHE 256 1.000 19.778 30.493 44.928 -99.200 -91.000