============================================================================= 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 43.153 15.072 0.875 -99.200 -91.000 TRP6 14 1.020 43.471 16.799 -0.707 -99.200 -91.000 PHE 19 1.000 34.885 -2.057 4.124 -99.200 -91.000 TRP 37 1.040 55.410 5.266 3.129 -99.200 -91.000 TRP6 37 1.020 55.807 3.956 5.059 -99.200 -91.000 HIS 43 0.900 41.717 6.949 17.683 -99.200 -91.000 TYR 47 0.840 40.753 3.173 22.838 -99.200 -91.000 TRP 49 1.040 36.300 1.246 22.367 -99.200 -91.000 TRP6 49 1.020 35.737 2.657 20.558 -99.200 -91.000 PHE 53 1.000 40.930 -3.994 13.669 -99.200 -91.000 HIS 65 0.900 31.191 11.569 -3.334 -99.200 -91.000 TYR 70 0.840 34.271 -2.373 -6.326 -99.200 -91.000 TYR 84 0.840 56.573 0.914 9.389 -99.200 -91.000 HIS 86 0.900 55.588 8.474 18.460 -99.200 -91.000 TYR 89 0.840 48.187 5.081 20.825 -99.200 -91.000 TRP 91 1.040 46.701 2.116 25.261 -99.200 -91.000 TRP6 91 1.020 45.413 1.208 27.049 -99.200 -91.000 TYR 113 0.840 37.019 10.630 -9.809 -99.200 -91.000 HIS 115 0.900 47.537 14.538 -6.728 -99.200 -91.000 HIS 129 0.900 49.183 32.103 13.155 -99.200 -91.000 PHE 132 1.000 44.865 32.296 9.995 -99.200 -91.000 TRP 139 1.040 32.319 8.036 3.656 -99.200 -91.000 TRP6 139 1.020 34.586 7.826 3.009 -99.200 -91.000 TRP 146 1.040 27.406 7.764 23.073 -99.200 -91.000 TRP6 146 1.020 28.297 6.795 25.039 -99.200 -91.000 PHE 183 1.000 45.048 20.843 15.185 -99.200 -91.000 TYR 187 0.840 32.125 27.459 13.305 -99.200 -91.000 PHE 206 1.000 41.401 21.249 11.099 -99.200 -91.000 TYR 212 0.840 51.588 32.058 2.845 -99.200 -91.000 TRP 216 1.040 43.205 21.741 -0.809 -99.200 -91.000 TRP6 216 1.020 41.594 22.539 0.729 -99.200 -91.000 TYR 217 0.840 51.029 22.734 2.523 -99.200 -91.000 TRP 224 1.040 41.379 13.304 22.173 -99.200 -91.000 TRP6 224 1.020 40.402 14.569 23.908 -99.200 -91.000 TYR 234 0.840 36.050 24.554 21.935 -99.200 -91.000 PHE 236 1.000 41.362 18.733 22.593 -99.200 -91.000 TYR 237 0.840 40.325 17.878 14.586 -99.200 -91.000 HIS 239 0.900 50.748 20.722 15.926 -99.200 -91.000 PHE 241 1.000 55.982 21.806 11.930 -99.200 -91.000 TRP 246 1.040 57.411 8.083 14.642 -99.200 -91.000 TRP6 246 1.020 55.412 7.384 13.600 -99.200 -91.000