============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. TYR 17 0.840 50.259 25.988 41.588 -99.200 -91.000 PHE 31 1.000 52.525 26.587 23.000 -99.200 -91.000 TYR 32 0.840 52.809 27.184 28.024 -99.200 -91.000 HIS 39 0.900 46.725 38.529 30.483 -99.200 -91.000 TYR 42 0.840 58.998 36.976 40.289 -99.200 -91.000 TYR 49 0.840 56.075 31.812 39.861 -99.200 -91.000 PHE 53 1.000 40.540 39.424 30.048 -99.200 -91.000 PHE 56 1.000 40.362 35.054 43.615 -99.200 -91.000 HIS 58 0.900 51.987 34.946 41.934 -99.200 -91.000 HIS 59 0.900 51.174 30.439 40.774 -99.200 -91.000 PHE 76 1.000 43.511 18.803 42.176 -99.200 -91.000 TYR 90 0.840 41.689 11.264 52.232 -99.200 -91.000 TYR 91 0.840 46.536 12.638 49.418 -99.200 -91.000 PHE 105 1.000 56.200 22.025 48.349 -99.200 -91.000 PHE 121 1.000 48.970 10.940 37.681 -99.200 -91.000 TYR 123 0.840 46.222 14.689 42.761 -99.200 -91.000 PHE 125 1.000 45.424 17.862 47.901 -99.200 -91.000 PHE 126 1.000 46.802 26.817 46.183 -99.200 -91.000 PHE 127 1.000 42.330 30.052 52.286 -99.200 -91.000 HIS 131 0.900 43.109 37.201 47.215 -99.200 -91.000 HIS 136 0.900 36.419 41.068 36.314 -99.200 -91.000 TYR 139 0.840 36.033 43.250 28.289 -99.200 -91.000 TYR 142 0.840 38.737 38.936 25.314 -99.200 -91.000 HIS 152 0.900 39.745 19.797 31.452 -99.200 -91.000 PHE 153 1.000 45.319 20.314 37.351 -99.200 -91.000 TYR 166 0.840 43.470 9.008 45.039 -99.200 -91.000 PHE 172 1.000 38.813 15.650 42.616 -99.200 -91.000 TYR 186 0.840 38.016 0.897 26.819 -99.200 -91.000 TRP 189 1.040 36.058 13.638 31.087 -99.200 -91.000 TRP6 189 1.020 36.015 11.615 29.843 -99.200 -91.000 HIS 191 0.900 31.400 18.301 40.062 -99.200 -91.000 HIS 197 0.900 36.962 17.572 32.603 -99.200 -91.000 HIS 210 0.900 45.831 13.055 27.019 -99.200 -91.000 HIS 211 0.900 43.792 16.941 28.382 -99.200 -91.000 PHE 214 1.000 45.570 27.485 30.995 -99.200 -91.000 HIS 217 0.900 35.256 35.599 28.098 -99.200 -91.000 HIS 220 0.900 34.618 34.704 19.140 -99.200 -91.000 HIS 245 0.900 36.371 17.079 23.960 -99.200 -91.000 PHE 251 1.000 34.624 24.672 18.765 -99.200 -91.000 TYR 252 0.840 37.832 18.442 20.671 -99.200 -91.000 TYR 254 0.840 42.492 17.663 23.329 -99.200 -91.000 HIS 261 0.900 55.333 19.524 29.589 -99.200 -91.000 TYR 266 0.840 36.245 21.731 28.638 -99.200 -91.000 TYR 270 0.840 27.274 18.449 31.274 -99.200 -91.000 TYR 271 0.840 24.865 23.410 38.476 -99.200 -91.000 TRP 282 1.040 29.425 9.669 26.298 -99.200 -91.000 TRP6 282 1.020 28.544 10.574 24.296 -99.200 -91.000 HIS 285 0.900 34.063 -1.045 20.342 -99.200 -91.000 TRP 292 1.040 27.570 16.070 18.811 -99.200 -91.000 TRP6 292 1.020 26.377 14.301 19.854 -99.200 -91.000 TRP 293 1.040 30.962 18.438 15.282 -99.200 -91.000 TRP6 293 1.020 32.615 20.152 15.281 -99.200 -91.000 TRP 301 1.040 43.906 13.604 22.680 -99.200 -91.000 TRP6 301 1.020 42.557 12.395 24.194 -99.200 -91.000 TYR 302 0.840 42.707 7.149 21.594 -99.200 -91.000 PHE 336 1.000 32.960 -2.528 17.071 -99.200 -91.000 PHE 338 1.000 28.275 2.503 18.242 -99.200 -91.000 TYR 348 0.840 33.806 5.354 10.049 -99.200 -91.000 HIS 349 0.900 33.343 -2.999 11.116 -99.200 -91.000 PHE 356 1.000 42.224 11.039 7.038 -99.200 -91.000