============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. HIS 18 0.900 -5.898 -11.129 18.709 -99.200 -91.000 HIS 22 0.900 2.192 -7.543 21.166 -99.200 -91.000 HIS 29 0.900 11.986 -11.682 26.791 -99.200 -91.000 HIS 49 0.900 14.426 3.814 4.140 -99.200 -91.000 HIS 50 0.900 21.267 5.315 1.708 -99.200 -91.000 HIS 65 0.900 21.108 -21.120 6.039 -99.200 -91.000 TYR 68 0.840 18.706 -17.386 2.714 -99.200 -91.000 TYR 71 0.840 18.847 -6.611 3.251 -99.200 -91.000 PHE 72 1.000 16.124 -4.996 11.724 -99.200 -91.000 PHE 88 1.000 12.856 -11.480 -10.252 -99.200 -91.000 HIS 102 0.900 -1.189 -10.826 1.473 -99.200 -91.000 HIS 107 0.900 -3.076 -5.629 -3.397 -99.200 -91.000 HIS 117 0.900 0.434 -20.238 -16.461 -99.200 -91.000 PHE 118 1.000 -3.142 -16.965 -10.427 -99.200 -91.000 HIS 122 0.900 -3.116 -30.913 -6.872 -99.200 -91.000 HIS 129 0.900 -9.098 -22.474 3.622 -99.200 -91.000 TYR 130 0.840 -6.625 -22.868 -3.891 -99.200 -91.000 HIS 136 0.900 8.670 -17.751 -18.671 -99.200 -91.000 TYR 143 0.840 7.200 -24.306 3.947 -99.200 -91.000 TYR 146 0.840 -5.495 -18.321 5.648 -99.200 -91.000 TYR 147 0.840 -7.198 -22.208 7.717 -99.200 -91.000 PHE 151 1.000 4.111 -26.519 -0.751 -99.200 -91.000 HIS 161 0.900 17.009 -22.541 -6.480 -99.200 -91.000 HIS 173 0.900 -0.038 -16.793 8.650 -99.200 -91.000 HIS 176 0.900 5.515 -20.235 13.856 -99.200 -91.000 PHE 177 1.000 7.023 -23.067 9.616 -99.200 -91.000 PHE 182 1.000 7.070 -24.528 17.301 -99.200 -91.000 TYR 189 0.840 13.620 -26.891 2.959 -99.200 -91.000 TYR 193 0.840 14.566 -13.047 -4.444 -99.200 -91.000 PHE 198 1.000 11.561 -11.870 12.553 -99.200 -91.000 HIS 199 0.900 2.985 -8.451 11.554 -99.200 -91.000 TYR 211 0.840 15.738 -13.554 7.507 -99.200 -91.000 HIS 213 0.900 21.492 -17.937 -1.663 -99.200 -91.000 TYR 218 0.840 17.184 -9.457 -11.814 -99.200 -91.000 TYR 225 0.840 12.669 -1.335 -7.544 -99.200 -91.000 TYR 228 0.840 12.928 3.449 -5.397 -99.200 -91.000 PHE 229 1.000 7.411 -1.055 -4.027 -99.200 -91.000 TYR 236 0.840 15.362 4.769 14.510 -99.200 -91.000 PHE 248 1.000 10.080 -15.371 22.468 -99.200 -91.000 TYR 249 0.840 13.985 -18.443 15.288 -99.200 -91.000 TYR 252 0.840 10.023 -20.443 22.583 -99.200 -91.000 PHE 257 1.000 3.803 -24.291 21.370 -99.200 -91.000 PHE 258 1.000 6.093 -28.752 20.625 -99.200 -91.000 PHE 273 1.000 -15.183 -26.173 21.358 -99.200 -91.000 TYR 288 0.840 -19.779 -28.473 19.819 -99.200 -91.000 PHE 291 1.000 -24.495 -25.892 16.685 -99.200 -91.000 HIS 294 0.900 -18.000 -17.831 9.426 -99.200 -91.000 TRP 299 1.040 -20.891 -20.932 20.274 -99.200 -91.000 TRP6 299 1.020 -20.590 -23.153 19.530 -99.200 -91.000 PHE 300 1.000 -13.045 -20.984 21.850 -99.200 -91.000 HIS 304 0.900 -15.499 -10.811 27.841 -99.200 -91.000 TYR 306 0.840 -11.950 -10.680 21.457 -99.200 -91.000 TYR 313 0.840 -14.888 -25.946 4.775 -99.200 -91.000 TRP 322 1.040 1.379 -20.368 26.462 -99.200 -91.000 TRP6 322 1.020 0.210 -22.035 25.265 -99.200 -91.000 HIS 323 0.900 8.034 -16.092 27.259 -99.200 -91.000 HIS 324 0.900 11.815 -18.326 31.995 -99.200 -91.000 TYR 328 0.840 -2.032 -16.456 26.522 -99.200 -91.000 PHE 330 1.000 -2.366 -23.094 29.782 -99.200 -91.000 TYR 356 0.840 -2.593 -11.057 -12.718 -99.200 -91.000 TRP 360 1.040 -22.005 -6.385 -12.857 -99.200 -91.000 TRP6 360 1.020 -21.017 -7.937 -11.362 -99.200 -91.000 HIS 374 0.900 -9.526 -10.939 -6.660 -99.200 -91.000 TYR 378 0.840 -17.309 -15.554 1.383 -99.200 -91.000 PHE 386 1.000 -6.312 -15.106 -6.890 -99.200 -91.000 TYR 402 0.840 -17.518 -23.207 -6.565 -99.200 -91.000