============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 5 1.000 -0.515 -18.923 -24.482 -99.200 -91.000 HIS 7 0.900 0.500 -11.152 -32.397 -99.200 -91.000 PHE 25 1.000 3.739 -13.896 -10.910 -99.200 -91.000 PHE 29 1.000 7.175 -20.113 -18.842 -99.200 -91.000 HIS 35 0.900 19.358 -12.559 -33.722 -99.200 -91.000 HIS 55 0.900 -12.454 -18.588 -7.730 -99.200 -91.000 PHE 59 1.000 -8.016 -5.360 -19.688 -99.200 -91.000 PHE 86 1.000 11.082 2.179 -10.219 -99.200 -91.000 HIS 93 0.900 1.549 -8.594 -27.560 -99.200 -91.000 TYR 99 0.840 0.908 -21.993 -19.431 -99.200 -91.000 TRP 107 1.040 4.782 -24.885 -14.218 -99.200 -91.000 TRP6 107 1.020 4.436 -26.765 -12.813 -99.200 -91.000 HIS 109 0.900 15.233 -28.410 -16.630 -99.200 -91.000 TYR 110 0.840 11.127 -22.840 -11.361 -99.200 -91.000 PHE 123 1.000 -5.394 -25.360 -14.126 -99.200 -91.000 PHE 124 1.000 -4.689 -22.011 -16.988 -99.200 -91.000 PHE 130 1.000 -3.306 -18.374 -20.178 -99.200 -91.000 PHE 135 1.000 7.379 -6.669 -16.989 -99.200 -91.000 PHE 137 1.000 17.732 -12.155 -17.737 -99.200 -91.000 HIS 160 0.900 23.538 6.159 -2.966 -99.200 -91.000 PHE 175 1.000 6.295 2.538 -7.246 -99.200 -91.000 HIS 177 0.900 7.525 -3.128 -5.319 -99.200 -91.000 HIS 181 0.900 8.833 -10.798 -3.057 -99.200 -91.000 TRP 182 1.040 14.680 -12.525 -0.271 -99.200 -91.000 TRP6 182 1.020 16.691 -13.303 0.701 -99.200 -91.000 HIS 196 0.900 25.634 9.437 -14.669 -99.200 -91.000 TYR 197 0.840 19.931 9.711 -7.927 -99.200 -91.000 TYR 218 0.840 6.613 -2.236 -11.299 -99.200 -91.000 PHE 231 1.000 -6.562 2.036 -4.606 -99.200 -91.000 PHE 241 1.000 -3.312 -7.027 4.646 -99.200 -91.000 TYR 247 0.840 11.002 -6.970 9.179 -99.200 -91.000 PHE 249 1.000 5.025 -13.974 4.085 -99.200 -91.000 TYR 252 0.840 3.077 -8.518 2.187 -99.200 -91.000 TRP 263 1.040 -5.072 -1.355 1.496 -99.200 -91.000 TRP6 263 1.020 -2.851 -1.958 2.086 -99.200 -91.000 TYR 266 0.840 2.942 9.439 -1.709 -99.200 -91.000 HIS 267 0.900 -0.510 6.509 4.632 -99.200 -91.000 TYR 269 0.840 7.589 4.577 8.137 -99.200 -91.000 TRP 274 1.040 7.619 -3.306 1.121 -99.200 -91.000 TRP6 274 1.020 7.667 -5.650 1.406 -99.200 -91.000 HIS 276 0.900 13.953 -2.079 9.482 -99.200 -91.000 TYR 277 0.840 12.097 -8.127 2.987 -99.200 -91.000 PHE 288 1.000 27.735 -9.736 2.109 -99.200 -91.000 PHE 307 1.000 19.986 2.815 5.037 -99.200 -91.000 HIS 308 0.900 18.590 -3.462 10.752 -99.200 -91.000 PHE 314 1.000 16.467 9.377 8.032 -99.200 -91.000 HIS 324 0.900 20.746 7.061 7.234 -99.200 -91.000 PHE 327 1.000 21.509 6.030 0.957 -99.200 -91.000