============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 4 1.000 -8.147 2.242 37.105 -99.200 -91.000 TYR 15 0.840 -9.364 8.173 20.047 -99.200 -91.000 TYR 19 0.840 -5.075 12.868 33.086 -99.200 -91.000 HIS 56 0.900 2.625 -9.487 17.971 -99.200 -91.000 HIS 67 0.900 -20.662 3.288 28.145 -99.200 -91.000 TYR 73 0.840 -13.134 7.400 33.087 -99.200 -91.000 PHE 76 1.000 -5.221 1.779 25.898 -99.200 -91.000 PHE 78 1.000 3.470 4.048 32.684 -99.200 -91.000 HIS 80 0.900 8.839 4.396 33.353 -99.200 -91.000 PHE 86 1.000 15.119 6.532 22.315 -99.200 -91.000 TYR 103 0.840 12.883 1.033 19.627 -99.200 -91.000 PHE 105 1.000 11.824 -8.770 12.703 -99.200 -91.000 PHE 113 1.000 -2.146 -10.565 16.709 -99.200 -91.000 HIS 115 0.900 -2.087 -3.811 9.197 -99.200 -91.000 HIS 117 0.900 -5.961 -11.797 14.375 -99.200 -91.000 HIS 121 0.900 -2.715 3.378 15.552 -99.200 -91.000 PHE 142 1.000 -2.945 -1.661 15.100 -99.200 -91.000 PHE 148 1.000 -16.462 7.635 19.560 -99.200 -91.000 TYR 155 0.840 -8.019 17.801 26.416 -99.200 -91.000 HIS 157 0.900 -12.916 22.021 20.286 -99.200 -91.000 TRP 163 1.040 3.212 17.542 10.885 -99.200 -91.000 TRP6 163 1.020 4.719 17.974 12.662 -99.200 -91.000 TYR 164 0.840 3.971 11.540 12.140 -99.200 -91.000 TYR 175 0.840 -15.961 2.761 1.565 -99.200 -91.000 TYR 176 0.840 -8.753 5.081 5.971 -99.200 -91.000 TRP 183 1.040 2.235 7.913 4.214 -99.200 -91.000 TRP6 183 1.020 3.125 8.304 2.058 -99.200 -91.000 PHE 189 1.000 13.417 2.962 8.571 -99.200 -91.000 PHE 199 1.000 6.643 13.462 3.325 -99.200 -91.000 PHE 209 1.000 -0.044 22.024 -3.155 -99.200 -91.000 PHE 212 1.000 0.881 16.028 -3.908 -99.200 -91.000 TRP 223 1.040 -2.552 6.060 -6.088 -99.200 -91.000 TRP6 223 1.020 -2.708 7.615 -4.310 -99.200 -91.000 TYR 232 0.840 -4.962 14.421 -9.131 -99.200 -91.000 PHE 236 1.000 -3.615 18.334 -5.964 -99.200 -91.000 TRP 239 1.040 6.877 21.308 -6.249 -99.200 -91.000 TRP6 239 1.020 4.863 21.662 -5.046 -99.200 -91.000 PHE 244 1.000 12.577 7.711 -0.441 -99.200 -91.000 HIS 264 0.900 6.937 1.892 -3.910 -99.200 -91.000 TYR 265 0.840 2.967 9.879 -4.106 -99.200 -91.000 HIS 279 0.900 14.071 -4.787 2.545 -99.200 -91.000 PHE 281 1.000 17.190 -1.802 7.662 -99.200 -91.000 PHE 282 1.000 13.137 -5.394 9.223 -99.200 -91.000 HIS 291 0.900 21.727 5.446 28.646 -99.200 -91.000