============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 14 1.040 39.391 77.828 97.311 -99.200 -91.000 TRP6 14 1.020 41.048 76.319 98.074 -99.200 -91.000 PHE 19 1.000 24.161 80.255 84.917 -99.200 -91.000 TRP 37 1.040 26.593 76.774 106.342 -99.200 -91.000 TRP6 37 1.020 24.924 78.453 106.482 -99.200 -91.000 HIS 43 0.900 29.238 93.939 95.102 -99.200 -91.000 TYR 47 0.840 24.418 99.102 93.980 -99.200 -91.000 TRP 49 1.040 23.176 99.042 88.952 -99.200 -91.000 TRP6 49 1.020 25.043 97.596 88.789 -99.200 -91.000 PHE 53 1.000 19.773 88.908 91.111 -99.200 -91.000 HIS 65 0.900 39.919 75.068 83.684 -99.200 -91.000 TYR 70 0.840 26.102 69.630 81.988 -99.200 -91.000 TYR 84 0.840 20.850 82.610 106.781 -99.200 -91.000 HIS 86 0.900 27.070 92.412 108.997 -99.200 -91.000 TYR 89 0.840 25.435 95.575 101.189 -99.200 -91.000 TRP 91 1.040 21.628 99.708 100.338 -99.200 -91.000 TRP6 91 1.020 20.815 101.566 99.121 -99.200 -91.000 TYR 113 0.840 37.778 67.699 88.704 -99.200 -91.000 HIS 115 0.900 39.148 69.647 100.169 -99.200 -91.000 HIS 129 0.900 51.909 91.282 109.078 -99.200 -91.000 PHE 132 1.000 54.010 88.732 104.752 -99.200 -91.000 TRP 139 1.040 34.818 81.029 85.534 -99.200 -91.000 TRP6 139 1.020 34.129 80.230 87.652 -99.200 -91.000 TRP 146 1.040 32.331 96.664 75.789 -99.200 -91.000 TRP6 146 1.020 31.888 96.165 78.051 -99.200 -91.000 PHE 183 1.000 41.917 92.119 102.427 -99.200 -91.000 TYR 187 0.840 52.044 93.232 91.597 -99.200 -91.000 PHE 206 1.000 43.899 88.899 98.648 -99.200 -91.000 TYR 212 0.840 56.115 78.953 109.242 -99.200 -91.000 TRP 216 1.040 45.988 77.038 98.840 -99.200 -91.000 TRP6 216 1.020 46.869 78.876 97.639 -99.200 -91.000 TYR 217 0.840 44.481 79.195 107.028 -99.200 -91.000 TRP 224 1.040 34.801 98.881 97.829 -99.200 -91.000 TRP6 224 1.020 36.066 100.874 97.642 -99.200 -91.000 TYR 234 0.840 46.992 100.746 95.204 -99.200 -91.000 PHE 236 1.000 39.839 100.043 98.300 -99.200 -91.000 TYR 237 0.840 40.545 92.143 96.878 -99.200 -91.000 HIS 239 0.900 40.417 92.114 107.822 -99.200 -91.000 PHE 241 1.000 40.251 87.597 112.980 -99.200 -91.000 TRP 246 1.040 26.536 88.479 109.903 -99.200 -91.000 TRP6 246 1.020 26.805 87.479 107.774 -99.200 -91.000