============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TRP 21 1.040 17.484 -9.149 21.303 -99.200 -91.000 TRP6 21 1.020 19.468 -8.060 20.555 -99.200 -91.000 TYR 40 0.840 15.764 -2.759 37.239 -99.200 -91.000 HIS 42 0.900 11.302 1.769 30.905 -99.200 -91.000 HIS 47 0.900 4.903 -11.345 18.466 -99.200 -91.000 TYR 49 0.840 13.180 -7.795 22.298 -99.200 -91.000 PHE 74 1.000 6.206 4.316 30.473 -99.200 -91.000 TRP 80 1.040 9.345 -8.362 13.315 -99.200 -91.000 TRP6 80 1.020 11.452 -7.396 13.892 -99.200 -91.000 TYR 83 0.840 2.962 -9.172 13.350 -99.200 -91.000 HIS 84 0.900 6.378 -1.390 9.944 -99.200 -91.000 TYR 104 0.840 -2.615 0.741 31.228 -99.200 -91.000 TYR 108 0.840 2.560 -1.860 20.029 -99.200 -91.000 HIS 111 0.900 11.756 -4.186 17.729 -99.200 -91.000 TRP 112 1.040 14.309 -2.837 13.642 -99.200 -91.000 TRP6 112 1.020 16.489 -1.932 13.483 -99.200 -91.000 PHE 116 1.000 11.688 -6.769 7.872 -99.200 -91.000 PHE 122 1.000 8.721 -13.160 14.788 -99.200 -91.000 PHE 123 1.000 14.924 -10.038 10.637 -99.200 -91.000 TRP 142 1.040 2.365 8.545 14.041 -99.200 -91.000 TRP6 142 1.020 3.679 7.614 15.791 -99.200 -91.000 PHE 162 1.000 10.485 5.293 12.661 -99.200 -91.000 HIS 164 0.900 18.473 14.205 9.979 -99.200 -91.000 TYR 178 0.840 -3.289 11.021 19.777 -99.200 -91.000 HIS 188 0.900 27.228 1.937 22.218 -99.200 -91.000 TYR 190 0.840 33.496 1.713 22.739 -99.200 -91.000 TYR 199 0.840 14.784 16.448 14.286 -99.200 -91.000 TYR 210 0.840 18.816 -0.225 20.269 -99.200 -91.000 TRP 220 1.040 25.539 -8.751 15.882 -99.200 -91.000 TRP6 220 1.020 23.196 -8.955 16.091 -99.200 -91.000 HIS 241 0.900 32.522 9.389 39.703 -99.200 -91.000 PHE 252 1.000 27.854 8.788 28.215 -99.200 -91.000 PHE 274 1.000 15.994 0.814 40.387 -99.200 -91.000 PHE 277 1.000 17.815 5.941 40.007 -99.200 -91.000 PHE 279 1.000 27.515 6.824 39.803 -99.200 -91.000 TYR 292 0.840 36.482 7.491 26.432 -99.200 -91.000 TRP 296 1.040 31.155 -1.522 17.244 -99.200 -91.000 TRP6 296 1.020 30.153 -2.371 19.230 -99.200 -91.000 HIS 307 0.900 12.343 -1.725 3.881 -99.200 -91.000 TYR 310 0.840 20.198 -0.083 6.798 -99.200 -91.000 PHE 312 1.000 20.528 2.048 12.032 -99.200 -91.000 HIS 313 0.900 21.386 2.877 3.193 -99.200 -91.000 PHE 316 1.000 21.451 14.263 12.020 -99.200 -91.000