============================================================================= 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. HIS 18 0.900 37.216 83.560 4.167 -99.200 -91.000 PHE 19 1.000 34.286 90.573 7.148 -99.200 -91.000 TRP 23 1.040 45.119 77.723 13.275 -99.200 -91.000 TRP6 23 1.020 47.431 77.621 12.817 -99.200 -91.000 HIS 24 0.900 40.854 81.434 7.534 -99.200 -91.000 TYR 27 0.840 45.655 76.608 -2.457 -99.200 -91.000 TRP 47 1.040 48.357 92.224 10.643 -99.200 -91.000 TRP6 47 1.020 50.403 93.272 10.081 -99.200 -91.000 PHE 50 1.000 57.054 85.142 11.653 -99.200 -91.000 PHE 60 1.000 57.554 78.127 20.747 -99.200 -91.000 TYR 61 0.840 67.300 74.389 24.773 -99.200 -91.000 TRP 64 1.040 68.985 73.885 10.730 -99.200 -91.000 TRP6 64 1.020 69.501 76.183 10.949 -99.200 -91.000 TYR 67 0.840 62.866 76.896 16.743 -99.200 -91.000 PHE 71 1.000 58.797 74.564 17.591 -99.200 -91.000 PHE 78 1.000 51.416 79.321 15.117 -99.200 -91.000 TRP 79 1.040 59.652 78.782 13.909 -99.200 -91.000 TRP6 79 1.020 60.066 81.085 14.271 -99.200 -91.000 HIS 86 0.900 63.343 81.562 1.278 -99.200 -91.000 PHE 103 1.000 52.238 86.243 32.513 -99.200 -91.000 TYR 107 0.840 46.575 93.705 24.769 -99.200 -91.000 PHE 109 1.000 52.191 99.036 17.718 -99.200 -91.000 TYR 112 0.840 60.909 95.935 13.410 -99.200 -91.000 PHE 115 1.000 60.346 88.568 9.126 -99.200 -91.000 TYR 124 0.840 65.958 78.293 7.309 -99.200 -91.000 PHE 131 1.000 60.513 100.921 15.843 -99.200 -91.000 PHE 142 1.000 72.110 93.820 19.218 -99.200 -91.000 HIS 143 0.900 68.776 89.872 17.733 -99.200 -91.000 PHE 148 1.000 65.986 80.543 13.874 -99.200 -91.000 PHE 166 1.000 71.696 84.746 26.681 -99.200 -91.000 TRP 170 1.040 65.773 86.423 18.221 -99.200 -91.000 TRP6 170 1.020 63.439 86.198 17.922 -99.200 -91.000 TRP 171 1.040 66.842 85.349 12.243 -99.200 -91.000 TRP6 171 1.020 64.623 85.671 13.026 -99.200 -91.000 TYR 172 0.840 69.827 83.328 20.314 -99.200 -91.000 HIS 176 0.900 68.448 87.935 24.081 -99.200 -91.000 TYR 184 0.840 54.178 81.449 28.776 -99.200 -91.000 HIS 189 0.900 63.149 86.114 33.022 -99.200 -91.000 PHE 192 1.000 71.281 89.068 30.897 -99.200 -91.000 TRP 198 1.040 60.673 94.159 21.809 -99.200 -91.000 TRP6 198 1.020 60.827 93.029 19.735 -99.200 -91.000 TYR 204 0.840 68.866 92.028 27.811 -99.200 -91.000 TYR 206 0.840 56.876 90.967 32.633 -99.200 -91.000 TYR 208 0.840 56.761 91.390 26.558 -99.200 -91.000