============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 9 0.840 10.987 112.519 76.513 -99.200 -91.000 TRP 12 1.040 13.147 105.359 71.029 -99.200 -91.000 TRP6 12 1.020 15.126 105.194 69.716 -99.200 -91.000 HIS 23 0.900 12.273 108.362 45.811 -99.200 -91.000 TYR 30 0.840 12.551 97.781 49.935 -99.200 -91.000 TYR 34 0.840 5.715 106.843 50.768 -99.200 -91.000 TRP 38 1.040 15.910 114.163 61.441 -99.200 -91.000 TRP6 38 1.020 17.278 112.765 62.824 -99.200 -91.000 TYR 41 0.840 20.466 115.610 63.400 -99.200 -91.000 PHE 57 1.000 3.579 101.946 61.507 -99.200 -91.000 HIS 69 0.900 24.962 93.585 66.190 -99.200 -91.000 PHE 85 1.000 -0.341 105.799 64.423 -99.200 -91.000 TYR 86 0.840 5.797 110.184 58.728 -99.200 -91.000 PHE 91 1.000 18.438 105.519 50.834 -99.200 -91.000 TYR 94 0.840 26.746 101.264 47.558 -99.200 -91.000 TYR 100 0.840 26.374 95.301 47.009 -99.200 -91.000 TYR 116 0.840 32.821 93.261 56.533 -99.200 -91.000 TYR 127 0.840 21.328 92.960 69.883 -99.200 -91.000 PHE 133 1.000 13.509 91.213 70.850 -99.200 -91.000 HIS 135 0.900 14.392 88.540 60.338 -99.200 -91.000 HIS 149 0.900 32.486 95.693 49.719 -99.200 -91.000 PHE 156 1.000 13.818 95.661 54.159 -99.200 -91.000 TYR 167 0.840 7.619 86.156 51.605 -99.200 -91.000 HIS 170 0.900 -1.237 74.943 53.978 -99.200 -91.000 PHE 175 1.000 3.615 78.891 56.218 -99.200 -91.000 TRP 179 1.040 15.208 82.258 51.943 -99.200 -91.000 TRP6 179 1.020 14.322 82.429 49.753 -99.200 -91.000 TYR 187 0.840 5.353 68.888 63.327 -99.200 -91.000 PHE 190 1.000 7.568 80.317 61.380 -99.200 -91.000 TRP 197 1.040 16.042 75.349 56.839 -99.200 -91.000 TRP6 197 1.020 16.295 72.996 56.899 -99.200 -91.000 PHE 199 1.000 23.948 82.709 58.800 -99.200 -91.000 TRP 204 1.040 22.909 77.324 47.700 -99.200 -91.000 TRP6 204 1.020 21.625 78.361 45.973 -99.200 -91.000 TYR 209 0.840 29.361 86.724 43.795 -99.200 -91.000 TYR 214 0.840 15.930 74.108 48.649 -99.200 -91.000 TYR 223 0.840 7.946 68.437 55.476 -99.200 -91.000 TYR 230 0.840 17.951 68.056 46.636 -99.200 -91.000 TYR 243 0.840 27.677 72.081 50.938 -99.200 -91.000 TRP 250 1.040 20.264 74.518 54.979 -99.200 -91.000 TRP6 250 1.020 21.601 74.398 53.022 -99.200 -91.000 TRP 252 1.040 13.589 66.158 60.076 -99.200 -91.000 TRP6 252 1.020 12.519 66.869 58.093 -99.200 -91.000 PHE 260 1.000 21.284 82.632 63.951 -99.200 -91.000 HIS 264 0.900 30.229 86.872 65.168 -99.200 -91.000 PHE 267 1.000 30.177 82.325 58.567 -99.200 -91.000 PHE 271 1.000 36.445 89.524 58.307 -99.200 -91.000