============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 8 1.040 2.280 -1.710 27.749 -99.200 -91.000 TRP6 8 1.020 1.306 -2.616 25.782 -99.200 -91.000 TYR 24 0.840 11.095 -10.353 26.020 -99.200 -91.000 HIS 25 0.900 11.410 -18.424 26.992 -99.200 -91.000 TYR 28 0.840 17.490 -18.115 18.966 -99.200 -91.000 PHE 36 1.000 24.100 0.072 11.690 -99.200 -91.000 HIS 46 0.900 19.784 4.390 30.578 -99.200 -91.000 PHE 49 1.000 21.244 1.797 25.287 -99.200 -91.000 TYR 57 0.840 29.113 11.856 10.531 -99.200 -91.000 PHE 59 1.000 24.932 11.667 8.407 -99.200 -91.000 TYR 64 0.840 33.305 10.288 12.217 -99.200 -91.000 HIS 72 0.900 11.588 9.744 19.154 -99.200 -91.000 HIS 75 0.900 10.820 5.348 25.520 -99.200 -91.000 TYR 85 0.840 13.118 -0.229 31.488 -99.200 -91.000 TRP 116 1.040 27.588 6.700 8.580 -99.200 -91.000 TRP6 116 1.020 27.333 5.055 10.256 -99.200 -91.000 PHE 153 1.000 16.997 1.209 6.554 -99.200 -91.000 TYR 167 0.840 1.205 10.832 7.100 -99.200 -91.000 PHE 190 1.000 -0.558 6.724 19.484 -99.200 -91.000 TYR 193 0.840 -6.448 4.519 9.267 -99.200 -91.000 TYR 200 0.840 -2.105 -2.242 13.906 -99.200 -91.000 TRP 210 1.040 14.017 11.191 29.061 -99.200 -91.000 TRP6 210 1.020 12.842 11.154 27.005 -99.200 -91.000 TYR 211 0.840 17.778 14.256 27.380 -99.200 -91.000 HIS 229 0.900 7.762 -2.567 21.900 -99.200 -91.000 TYR 237 0.840 11.680 -13.286 14.040 -99.200 -91.000 PHE 275 1.000 4.754 -15.687 19.575 -99.200 -91.000