============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 14 0.840 26.019 57.630 11.913 -99.200 -91.000 HIS 28 0.900 38.748 54.925 -6.011 -99.200 -91.000 TYR 30 0.840 33.998 54.287 -5.226 -99.200 -91.000 PHE 34 1.000 24.613 56.371 -0.656 -99.200 -91.000 PHE 43 1.000 30.275 72.446 -2.509 -99.200 -91.000 PHE 54 1.000 43.081 66.518 -8.151 -99.200 -91.000 TRP 125 1.040 43.623 55.271 22.102 -99.200 -91.000 TRP6 125 1.020 44.970 57.022 22.954 -99.200 -91.000 TRP 130 1.040 40.459 66.977 18.286 -99.200 -91.000 TRP6 130 1.020 38.234 67.406 17.582 -99.200 -91.000 TRP 136 1.040 34.403 69.722 18.137 -99.200 -91.000 TRP6 136 1.020 33.233 69.892 16.075 -99.200 -91.000 TYR 151 0.840 36.655 48.496 8.600 -99.200 -91.000 TRP 164 1.040 34.279 61.949 25.987 -99.200 -91.000 TRP6 164 1.020 31.901 61.862 25.717 -99.200 -91.000 PHE 170 1.000 40.798 50.512 25.873 -99.200 -91.000 PHE 171 1.000 36.343 49.358 26.611 -99.200 -91.000 PHE 183 1.000 31.623 47.497 23.316 -99.200 -91.000 TRP 187 1.040 36.010 46.593 22.708 -99.200 -91.000 TRP6 187 1.020 38.220 47.418 22.438 -99.200 -91.000 HIS 189 0.900 40.396 38.223 18.549 -99.200 -91.000 TRP 194 1.040 45.408 43.746 24.982 -99.200 -91.000 TRP6 194 1.020 43.364 44.954 25.258 -99.200 -91.000 HIS 220 0.900 44.290 51.272 32.799 -99.200 -91.000