============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 3 0.900 -14.434 4.018 -18.736 -99.200 -91.000 PHE 4 1.000 -8.745 -0.274 -16.625 -99.200 -91.000 TYR 20 0.840 7.715 6.486 -13.667 -99.200 -91.000 PHE 35 1.000 4.740 -11.289 -27.728 -99.200 -91.000 HIS 39 0.900 8.223 -8.693 -25.527 -99.200 -91.000 HIS 44 0.900 10.786 -4.692 -24.762 -99.200 -91.000 HIS 45 0.900 15.110 -8.542 -27.882 -99.200 -91.000 HIS 53 0.900 23.259 13.590 -23.276 -99.200 -91.000 TYR 55 0.840 19.528 11.499 -31.854 -99.200 -91.000 TYR 61 0.840 15.265 13.301 -33.501 -99.200 -91.000 TRP 72 1.040 16.827 7.293 -19.875 -99.200 -91.000 TRP6 72 1.020 15.045 5.719 -19.728 -99.200 -91.000 TYR 73 0.840 22.207 10.996 -14.845 -99.200 -91.000 HIS 80 0.900 14.735 -3.736 -7.175 -99.200 -91.000 HIS 81 0.900 14.790 -4.254 -11.337 -99.200 -91.000 PHE 84 1.000 23.779 7.033 -18.045 -99.200 -91.000 PHE 92 1.000 35.494 5.379 -35.193 -99.200 -91.000 PHE 100 1.000 26.140 9.387 -36.451 -99.200 -91.000 HIS 111 0.900 21.019 21.892 -29.692 -99.200 -91.000 TRP 127 1.040 38.543 5.972 -25.800 -99.200 -91.000 TRP6 127 1.020 38.244 7.952 -27.054 -99.200 -91.000 TYR 136 0.840 37.838 6.617 -40.562 -99.200 -91.000 PHE 140 1.000 34.392 10.322 -24.673 -99.200 -91.000 PHE 148 1.000 23.270 -1.646 -17.878 -99.200 -91.000 TYR 156 0.840 10.192 4.415 -16.878 -99.200 -91.000 HIS 170 0.900 2.319 -14.023 -22.028 -99.200 -91.000 PHE 176 1.000 -6.412 -0.297 -31.835 -99.200 -91.000 TYR 192 0.840 -10.004 -5.568 -20.807 -99.200 -91.000 TRP 204 1.040 3.367 -7.430 -33.929 -99.200 -91.000 TRP6 204 1.020 5.332 -7.742 -32.658 -99.200 -91.000 TYR 221 0.840 14.129 -1.895 -42.946 -99.200 -91.000 PHE 227 1.000 25.784 -9.166 -25.983 -99.200 -91.000 PHE 228 1.000 31.078 -10.481 -32.383 -99.200 -91.000 TYR 235 0.840 38.577 -3.950 -27.750 -99.200 -91.000 PHE 241 1.000 36.257 0.232 -26.698 -99.200 -91.000 PHE 244 1.000 31.788 0.901 -30.802 -99.200 -91.000 TYR 253 0.840 29.412 -2.041 -38.973 -99.200 -91.000 TYR 254 0.840 23.752 -0.606 -33.047 -99.200 -91.000 PHE 256 1.000 25.365 -0.962 -26.644 -99.200 -91.000 PHE 259 1.000 28.376 -2.164 -20.111 -99.200 -91.000 TYR 268 0.840 26.021 -3.047 -41.653 -99.200 -91.000 HIS 269 0.900 21.475 2.574 -37.308 -99.200 -91.000 PHE 271 1.000 21.380 -6.189 -44.701 -99.200 -91.000 PHE 284 1.000 24.189 -13.383 -34.502 -99.200 -91.000 TYR 287 0.840 18.230 -14.306 -42.685 -99.200 -91.000 PHE 297 1.000 33.289 -1.093 -36.585 -99.200 -91.000 TYR 301 0.840 37.039 0.679 -39.315 -99.200 -91.000 TYR 317 0.840 17.499 -0.648 -36.380 -99.200 -91.000 HIS 324 0.900 13.704 13.122 -38.865 -99.200 -91.000 PHE 325 1.000 12.370 9.066 -32.691 -99.200 -91.000 HIS 330 0.900 -6.675 8.517 -35.674 -99.200 -91.000 HIS 333 0.900 -11.105 9.212 -34.430 -99.200 -91.000 PHE 342 1.000 9.112 6.042 -30.982 -99.200 -91.000 HIS 345 0.900 16.453 7.887 -34.446 -99.200 -91.000 PHE 347 1.000 15.090 1.608 -23.793 -99.200 -91.000 PHE 349 1.000 15.682 10.737 -28.617 -99.200 -91.000 HIS 368 0.900 9.042 17.540 -23.076 -99.200 -91.000 PHE 373 1.000 10.174 13.985 -33.014 -99.200 -91.000