============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 93 rings ring int. center anis. iso. PHE 4 1.000 -15.795 23.838 19.154 -99.200 -91.000 PHE 8 1.000 -11.715 25.708 18.119 -99.200 -91.000 TRP 10 1.040 -13.945 26.290 13.667 -99.200 -91.000 TRP6 10 1.020 -14.520 24.197 14.582 -99.200 -91.000 TYR 17 0.840 6.767 11.199 -1.101 -99.200 -91.000 TRP 33 1.040 8.288 8.632 3.599 -99.200 -91.000 TRP6 33 1.020 6.919 6.711 3.342 -99.200 -91.000 HIS 34 0.900 12.443 9.664 -5.736 -99.200 -91.000 PHE 36 1.000 9.938 2.491 3.130 -99.200 -91.000 HIS 38 0.900 10.258 6.206 -7.041 -99.200 -91.000 HIS 55 0.900 -1.051 21.785 -2.795 -99.200 -91.000 TYR 56 0.840 6.580 21.842 -7.529 -99.200 -91.000 TRP 59 1.040 0.681 26.600 -6.532 -99.200 -91.000 TRP6 59 1.020 0.189 28.866 -6.084 -99.200 -91.000 TYR 74 0.840 -2.935 24.047 3.429 -99.200 -91.000 PHE 76 1.000 2.009 25.608 4.277 -99.200 -91.000 TRP 80 1.040 15.992 19.440 5.561 -99.200 -91.000 TRP6 80 1.020 16.241 18.320 7.647 -99.200 -91.000 PHE 98 1.000 5.018 24.192 -3.937 -99.200 -91.000 TYR 99 0.840 7.020 24.344 0.408 -99.200 -91.000 PHE 114 1.000 -1.595 27.072 13.521 -99.200 -91.000 TYR 118 0.840 11.220 15.008 9.340 -99.200 -91.000 HIS 119 0.900 3.048 15.194 8.216 -99.200 -91.000 TRP 120 1.040 6.190 11.629 9.393 -99.200 -91.000 TRP6 120 1.020 4.502 10.027 9.058 -99.200 -91.000 PHE 124 1.000 19.126 8.209 -0.490 -99.200 -91.000 TRP 132 1.040 14.890 11.887 11.651 -99.200 -91.000 TRP6 132 1.020 15.009 14.074 12.600 -99.200 -91.000 TRP 140 1.040 23.430 17.376 9.871 -99.200 -91.000 TRP6 140 1.020 23.068 15.033 9.751 -99.200 -91.000 PHE 141 1.000 14.056 20.051 12.635 -99.200 -91.000 TYR 144 0.840 13.952 22.099 6.945 -99.200 -91.000 PHE 149 1.000 12.334 28.739 12.823 -99.200 -91.000 PHE 152 1.000 9.274 30.120 3.521 -99.200 -91.000 TRP 159 1.040 7.014 29.429 12.234 -99.200 -91.000 TRP6 159 1.020 8.062 28.811 10.200 -99.200 -91.000 TRP 166 1.040 5.750 5.818 19.306 -99.200 -91.000 TRP6 166 1.020 4.603 4.489 17.720 -99.200 -91.000 HIS 173 0.900 14.514 5.797 11.966 -99.200 -91.000 TYR 175 0.840 6.323 -0.839 15.167 -99.200 -91.000 HIS 178 0.900 5.141 5.151 8.158 -99.200 -91.000 TYR 186 0.840 20.530 -1.883 21.531 -99.200 -91.000 PHE 189 1.000 13.065 3.042 22.496 -99.200 -91.000 HIS 193 0.900 18.564 11.778 24.007 -99.200 -91.000 HIS 199 0.900 10.559 20.552 20.116 -99.200 -91.000 PHE 206 1.000 9.451 30.608 16.331 -99.200 -91.000 PHE 219 1.000 4.419 15.576 21.240 -99.200 -91.000 TYR 223 0.840 -10.083 6.453 25.789 -99.200 -91.000 PHE 224 1.000 -2.685 3.294 23.311 -99.200 -91.000 PHE 236 1.000 5.473 0.166 26.960 -99.200 -91.000 HIS 238 0.900 -1.062 8.687 28.378 -99.200 -91.000 PHE 240 1.000 7.118 2.833 22.573 -99.200 -91.000 TYR 243 0.840 -0.122 13.592 26.451 -99.200 -91.000 PHE 246 1.000 8.498 11.912 21.068 -99.200 -91.000 TYR 251 0.840 5.3