============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TYR 7 0.840 2.714 95.630 61.396 -99.200 -91.000 TYR 16 0.840 13.157 97.613 49.524 -99.200 -91.000 PHE 17 1.000 15.996 99.306 56.701 -99.200 -91.000 PHE 27 1.000 26.786 90.575 63.935 -99.200 -91.000 TYR 39 0.840 11.391 104.915 67.674 -99.200 -91.000 TRP 46 1.040 26.061 114.847 68.271 -99.200 -91.000 TRP6 46 1.020 24.572 115.943 69.743 -99.200 -91.000 TYR 55 0.840 36.122 102.387 68.744 -99.200 -91.000 HIS 64 0.900 36.567 114.641 57.259 -99.200 -91.000 PHE 69 1.000 26.519 106.237 53.528 -99.200 -91.000 PHE 74 1.000 20.486 101.029 59.642 -99.200 -91.000 PHE 77 1.000 20.741 100.554 53.940 -99.200 -91.000 HIS 101 0.900 17.896 103.207 63.903 -99.200 -91.000 TYR 120 0.840 18.280 103.095 73.725 -99.200 -91.000 TYR 132 0.840 10.561 107.416 62.379 -99.200 -91.000 TYR 133 0.840 4.993 114.890 58.647 -99.200 -91.000 HIS 134 0.900 9.587 117.988 59.222 -99.200 -91.000 PHE 135 1.000 15.212 109.233 58.055 -99.200 -91.000 TYR 136 0.840 7.504 107.209 58.108 -99.200 -91.000 HIS 137 0.900 6.551 114.371 53.929 -99.200 -91.000 HIS 142 0.900 11.532 105.857 56.326 -99.200 -91.000 TRP 148 1.040 1.975 117.221 63.090 -99.200 -91.000 TRP6 148 1.020 3.694 115.861 63.974 -99.200 -91.000 PHE 151 1.000 5.141 110.197 61.312 -99.200 -91.000 PHE 155 1.000 6.352 108.839 67.739 -99.200 -91.000 TYR 162 0.840 14.004 100.283 62.648 -99.200 -91.000 TRP 165 1.040 10.482 107.481 71.756 -99.200 -91.000 TRP6 165 1.020 9.654 108.023 73.904 -99.200 -91.000 TYR 166 0.840 4.737 106.284 73.297 -99.200 -91.000 HIS 168 0.900 14.275 101.050 70.306 -99.200 -91.000 TRP 172 1.040 16.910 98.732 73.238 -99.200 -91.000 TRP6 172 1.020 18.960 97.673 72.713 -99.200 -91.000 TRP 173 1.040 15.489 102.702 82.714 -99.200 -91.000 TRP6 173 1.020 17.285 104.183 83.140 -99.200 -91.000 HIS 179 0.900 24.486 93.427 77.274 -99.200 -91.000 TYR 183 0.840 18.404 104.722 78.256 -99.200 -91.000 PHE 185 1.000 17.834 110.102 79.229 -99.200 -91.000 TYR 186 0.840 19.200 115.537 70.011 -99.200 -91.000 PHE 203 1.000 29.727 101.704 78.091 -99.200 -91.000 HIS 206 0.900 39.378 103.577 73.461 -99.200 -91.000 PHE 215 1.000 40.197 118.745 66.191 -99.200 -91.000 HIS 219 0.900 36.742 119.854 63.707 -99.200 -91.000 PHE 222 1.000 22.138 120.811 62.768 -99.200 -91.000 TYR 233 0.840 23.078 109.112 56.558 -99.200 -91.000 PHE 240 1.000 18.646 105.174 50.959 -99.200 -91.000 HIS 243 0.900 20.202 114.718 51.939 -99.200 -91.000 PHE 248 1.000 20.324 111.563 58.583 -99.200 -91.000 TRP 257 1.040 8.582 119.568 71.820 -99.200 -91.000 TRP6 257 1.020 6.526 120.199 72.821 -99.200 -91.000 PHE 261 1.000 3.703 117.180 69.185 -99.200 -91.000 PHE 269 1.000 3.319 112.656 72.305 -99.200 -91.000 TYR 273 0.840 5.751 110.735 77.749 -99.200 -91.000 PHE 284 1.000 12.872 109.977 77.511 -99.200 -91.000