============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 -3.488 40.173 43.016 -99.200 -91.000 TRP6 12 1.020 -4.462 40.286 45.182 -99.200 -91.000 TYR 20 0.840 1.279 21.299 29.029 -99.200 -91.000 TRP 26 1.040 8.851 26.143 27.869 -99.200 -91.000 TRP6 26 1.020 9.113 24.515 29.558 -99.200 -91.000 HIS 28 0.900 -1.573 29.273 33.090 -99.200 -91.000 TRP 39 1.040 10.599 23.988 49.206 -99.200 -91.000 TRP6 39 1.020 9.935 21.787 48.675 -99.200 -91.000 HIS 45 0.900 -7.609 17.610 38.573 -99.200 -91.000 PHE 53 1.000 4.166 19.570 35.281 -99.200 -91.000 HIS 60 0.900 -0.073 42.097 34.372 -99.200 -91.000 TYR 71 0.840 10.593 33.159 31.479 -99.200 -91.000 HIS 80 0.900 -2.148 15.164 51.792 -99.200 -91.000 TYR 82 0.840 -4.424 9.854 53.914 -99.200 -91.000 TRP 83 1.040 -4.195 14.115 43.599 -99.200 -91.000 TRP6 83 1.020 -6.257 15.294 43.539 -99.200 -91.000 TYR 91 0.840 -6.842 13.909 52.087 -99.200 -91.000 TYR 107 0.840 7.717 44.351 38.922 -99.200 -91.000 TYR 127 0.840 -10.068 41.314 45.233 -99.200 -91.000 TRP 131 1.040 -1.784 34.976 33.684 -99.200 -91.000 TRP6 131 1.020 -0.392 34.347 35.467 -99.200 -91.000 TYR 148 0.840 -15.127 41.243 47.084 -99.200 -91.000 TYR 154 0.840 -18.641 21.530 56.130 -99.200 -91.000 TYR 160 0.840 -25.158 27.890 48.547 -99.200 -91.000 TRP 161 1.040 -19.797 23.388 45.375 -99.200 -91.000 TRP6 161 1.020 -19.487 22.063 43.454 -99.200 -91.000 HIS 190 0.900 -3.914 36.267 46.181 -99.200 -91.000 TYR 197 0.840 -5.833 41.355 50.157 -99.200 -91.000 HIS 200 0.900 -6.846 32.729 55.096 -99.200 -91.000 PHE 205 1.000 -14.348 20.638 43.902 -99.200 -91.000 PHE 220 1.000 -10.955 29.102 45.937 -99.200 -91.000 TYR 226 0.840 -4.451 19.858 53.290 -99.200 -91.000 TRP 229 1.040 1.820 16.997 53.438 -99.200 -91.000 TRP6 229 1.020 1.842 18.179 51.389 -99.200 -91.000