============================================================================= 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 3 1.040 -3.500 131.199 31.044 -99.200 -91.000 TRP6 3 1.020 -4.435 129.029 30.882 -99.200 -91.000 PHE 4 1.000 5.829 127.243 29.156 -99.200 -91.000 PHE 7 1.000 3.449 129.667 21.160 -99.200 -91.000 TRP 11 1.040 5.725 121.699 19.784 -99.200 -91.000 TRP6 11 1.020 7.588 120.512 20.639 -99.200 -91.000 PHE 16 1.000 -0.712 121.343 27.730 -99.200 -91.000 TYR 25 0.840 17.002 128.963 39.215 -99.200 -91.000 TYR 31 0.840 26.218 122.476 28.004 -99.200 -91.000 PHE 37 1.000 5.116 126.858 34.572 -99.200 -91.000 TYR 42 0.840 -1.744 119.096 33.652 -99.200 -91.000 PHE 60 1.000 1.635 108.946 36.869 -99.200 -91.000 TYR 62 0.840 10.140 110.233 29.214 -99.200 -91.000 HIS 63 0.900 10.560 110.782 34.584 -99.200 -91.000 HIS 68 0.900 9.724 100.513 36.466 -99.200 -91.000 TYR 97 0.840 13.785 97.317 38.254 -99.200 -91.000 TYR 119 0.840 13.611 125.818 42.821 -99.200 -91.000 PHE 120 1.000 10.618 120.227 39.323 -99.200 -91.000 TYR 127 0.840 20.538 113.026 40.629 -99.200 -91.000 PHE 135 1.000 30.592 109.119 35.208 -99.200 -91.000 PHE 142 1.000 29.615 108.099 30.370 -99.200 -91.000 TYR 150 0.840 27.105 101.711 31.216 -99.200 -91.000 PHE 168 1.000 16.751 112.725 19.185 -99.200 -91.000 PHE 172 1.000 23.886 108.730 21.690 -99.200 -91.000 TYR 173 0.840 20.183 105.240 18.521 -99.200 -91.000 TYR 177 0.840 25.874 96.223 18.373 -99.200 -91.000 TYR 185 0.840 17.191 93.411 26.239 -99.200 -91.000 TRP 194 1.040 -1.403 111.234 17.259 -99.200 -91.000 TRP6 194 1.020 -3.033 110.880 15.564 -99.200 -91.000 HIS 196 0.900 7.637 115.266 16.869 -99.200 -91.000 TYR 206 0.840 19.846 107.916 11.899 -99.200 -91.000 PHE 211 1.000 21.036 98.327 19.165 -99.200 -91.000 TYR 216 0.840 7.735 104.948 18.171 -99.200 -91.000 TYR 224 0.840 7.242 114.631 27.647 -99.200 -91.000 PHE 253 1.000 9.971 97.426 41.267 -99.200 -91.000 TYR 258 0.840 1.280 104.922 31.430 -99.200 -91.000 TYR 259 0.840 5.849 98.042 33.528 -99.200 -91.000 TYR 261 0.840 3.092 90.043 32.481 -99.200 -91.000 HIS 264 0.900 7.150 95.372 28.989 -99.200 -91.000 PHE 268 1.000 7.125 97.626 22.969 -99.200 -91.000 PHE 273 1.000 -0.602 107.531 12.093 -99.200 -91.000