============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TYR 5 0.840 2.915 16.706 14.023 -99.200 -91.000 TYR 7 0.840 5.193 18.837 19.353 -99.200 -91.000 TYR 11 0.840 9.223 23.990 14.402 -99.200 -91.000 HIS 29 0.900 1.304 19.318 18.751 -99.200 -91.000 TYR 35 0.840 -10.535 16.004 14.844 -99.200 -91.000 HIS 38 0.900 -1.098 12.766 19.611 -99.200 -91.000 PHE 57 1.000 17.563 30.871 -1.718 -99.200 -91.000 HIS 58 0.900 17.879 32.862 2.522 -99.200 -91.000 TYR 62 0.840 18.420 37.941 4.376 -99.200 -91.000 HIS 65 0.900 20.820 44.019 7.902 -99.200 -91.000 TYR 75 0.840 21.495 42.859 3.351 -99.200 -91.000 TYR 79 0.840 3.456 48.338 6.485 -99.200 -91.000 PHE 88 1.000 20.416 34.018 12.558 -99.200 -91.000 TYR 90 0.840 11.079 34.094 17.403 -99.200 -91.000 TRP 116 1.040 0.558 20.346 9.327 -99.200 -91.000 TRP6 116 1.020 -0.081 20.468 7.044 -99.200 -91.000 TRP 120 1.040 8.147 31.114 7.195 -99.200 -91.000 TRP6 120 1.020 9.525 32.418 8.613 -99.200 -91.000 HIS 121 0.900 4.683 31.296 -0.784 -99.200 -91.000 HIS 122 0.900 5.505 35.427 -0.844 -99.200 -91.000 PHE 131 1.000 3.068 39.324 6.290 -99.200 -91.000 TYR 133 0.840 11.364 38.405 9.024 -99.200 -91.000 PHE 148 1.000 14.472 11.385 -2.862 -99.200 -91.000 TYR 153 0.840 7.593 25.129 -3.876 -99.200 -91.000 HIS 159 0.900 -0.553 35.899 -0.574 -99.200 -91.000 HIS 160 0.900 4.964 33.679 -8.578 -99.200 -91.000 PHE 168 1.000 15.571 25.414 -6.280 -99.200 -91.000 PHE 170 1.000 18.557 32.446 -14.723 -99.200 -91.000 HIS 180 0.900 0.460 32.250 -8.924 -99.200 -91.000 PHE 182 1.000 -0.605 37.963 -12.821 -99.200 -91.000 PHE 186 1.000 -3.385 38.667 -3.789 -99.200 -91.000 PHE 187 1.000 4.230 40.250 -1.445 -99.200 -91.000 TYR 203 0.840 9.390 26.400 -22.931 -99.200 -91.000 TYR 204 0.840 12.864 21.796 -17.320 -99.200 -91.000 TYR 219 0.840 -6.847 25.416 -6.125 -99.200 -91.000 TYR 220 0.840 -8.829 16.951 -8.184 -99.200 -91.000 TYR 231 0.840 3.974 10.805 -12.230 -99.200 -91.000 PHE 234 1.000 10.842 17.954 -13.030 -99.200 -91.000 PHE 256 1.000 -7.459 31.749 -5.220 -99.200 -91.000 TYR 269 0.840 -3.371 13.693 -10.054 -99.200 -91.000 TRP 273 1.040 1.863 11.703 -8.999 -99.200 -91.000 TRP6 273 1.020 2.433 14.000 -8.856 -99.200 -91.000 TYR 285 0.840 -2.063 35.363 6.625 -99.200 -91.000 TRP 294 1.040 -2.445 23.763 6.941 -99.200 -91.000 TRP6 294 1.020 -1.028 25.415 7.878 -99.200 -91.000 TYR 296 0.840 -10.350 17.061 4.888 -99.200 -91.000 HIS 313 0.900 -9.049 21.998 20.496 -99.200 -91.000 PHE 315 1.000 -4.977 27.231 21.393 -99.200 -91.000 PHE 316 1.000 -15.450 23.036 22.103 -99.200 -91.000 TYR 319 0.840 -11.089 25.155 16.381 -99.200 -91.000 TYR 323 0.840 -18.238 25.654 19.844 -99.200 -91.000 HIS 339 0.900 -12.198 30.939 -24.505 -99.200 -91.000 TYR 347 0.840 1.293 30.434 -22.586 -99.200 -91.000 HIS 354 0.900 8.075 24.166 -25.857 -99.200 -91.000