============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 91.272 -16.868 13.131 -99.200 -91.000 TYR 31 0.840 73.627 -19.099 11.055 -99.200 -91.000 TYR 36 0.840 76.753 -21.800 16.567 -99.200 -91.000 TYR 37 0.840 78.701 -19.111 24.022 -99.200 -91.000 PHE 38 1.000 83.541 -17.927 17.402 -99.200 -91.000 TRP 40 1.040 90.383 -14.115 19.779 -99.200 -91.000 TRP6 40 1.020 88.053 -13.940 19.522 -99.200 -91.000 TYR 42 0.840 96.994 -14.258 29.237 -99.200 -91.000 PHE 57 1.000 84.908 -10.030 29.184 -99.200 -91.000 PHE 66 1.000 71.168 -6.738 31.073 -99.200 -91.000 TYR 89 0.840 55.970 7.385 38.619 -99.200 -91.000 TRP 90 1.040 62.930 12.397 44.236 -99.200 -91.000 TRP6 90 1.020 64.931 12.827 43.056 -99.200 -91.000 TRP 98 1.040 63.051 18.780 37.838 -99.200 -91.000 TRP6 98 1.020 63.911 16.939 36.676 -99.200 -91.000 HIS 105 0.900 59.495 14.609 28.163 -99.200 -91.000 TYR 109 0.840 69.489 8.256 26.413 -99.200 -91.000 PHE 131 1.000 72.746 16.996 38.580 -99.200 -91.000 TYR 132 0.840 68.688 14.162 38.778 -99.200 -91.000 TRP 135 1.040 69.351 19.912 34.332 -99.200 -91.000 TRP6 135 1.020 67.170 19.521 33.531 -99.200 -91.000 TRP 139 1.040 68.513 22.503 23.752 -99.200 -91.000 TRP6 139 1.020 70.062 20.858 24.381 -99.200 -91.000 TYR 147 0.840 74.307 7.578 25.887 -99.200 -91.000 PHE 155 1.000 62.572 4.607 32.752 -99.200 -91.000 PHE 167 1.000 68.275 -0.264 38.435 -99.200 -91.000 PHE 176 1.000 70.746 -8.734 36.314 -99.200 -91.000 HIS 183 0.900 77.327 -18.122 36.683 -99.200 -91.000 TRP 185 1.040 76.232 -11.646 40.511 -99.200 -91.000 TRP6 185 1.020 74.835 -11.621 42.391 -99.200 -91.000 TYR 196 0.840 84.565 -7.103 38.306 -99.200 -91.000 TRP 198 1.040 92.012 -7.265 37.904 -99.200 -91.000 TRP6 198 1.020 91.501 -5.496 39.349 -99.200 -91.000 TYR 200 0.840 94.384 -5.333 32.153 -99.200 -91.000 HIS 207 0.900 87.681 -4.917 38.874 -99.200 -91.000 TYR 218 0.840 78.340 4.384 35.502 -99.200 -91.000 TRP 230 1.040 70.455 -8.247 27.481 -99.200 -91.000 TRP6 230 1.020 68.438 -7.963 28.644 -99.200 -91.000 TYR 256 0.840 59.107 4.310 23.623 -99.200 -91.000 TRP 257 1.040 61.663 10.434 22.018 -99.200 -91.000 TRP6 257 1.020 60.424 12.413 22.013 -99.200 -91.000 TYR 263 0.840 63.168 4.886 13.354 -99.200 -91.000 TRP 268 1.040 67.461 -3.326 23.726 -99.200 -91.000 TRP6 268 1.020 69.566 -4.278 23.304 -99.200 -91.000 TRP 273 1.040 68.712 -6.208 7.718 -99.200 -91.000 TRP6 273 1.020 71.030 -6.028 8.110 -99.200 -91.000 TRP 309 1.040 72.554 -2.603 13.819 -99.200 -91.000 TRP6 309 1.020 73.955 -4.293 12.962 -99.200 -91.000 HIS 311 0.900 73.431 0.235 17.185 -99.200 -91.000 PHE 319 1.000 86.106 -4.685 32.036 -99.200 -91.000 TYR 322 0.840 77.721 -2.858 18.553 -99.200 -91.000 PHE 325 1.000 68.379 -7.409 19.586 -99.200 -91.000 TYR 341 0.840 87.161 -2.517 20.938 -99.200 -91.000 TRP 351 1.040 76.669 -3.931 8.476 -99.200 -91.000 TRP6 351 1.020 77.920 -4.180 6.521 -99.200 -91.000