============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 7 0.840 60.210 80.685 60.649 -99.200 -91.000 HIS 8 0.900 59.373 83.442 51.923 -99.200 -91.000 HIS 28 0.900 57.103 78.939 48.803 -99.200 -91.000 HIS 37 0.900 36.155 67.179 33.062 -99.200 -91.000 TRP 60 1.040 30.533 50.163 13.321 -99.200 -91.000 TRP6 60 1.020 32.240 49.379 14.755 -99.200 -91.000 TRP 76 1.040 37.962 51.767 16.684 -99.200 -91.000 TRP6 76 1.020 37.325 50.574 14.749 -99.200 -91.000 TYR 78 0.840 38.280 57.079 23.092 -99.200 -91.000 TYR 91 0.840 13.584 39.868 12.937 -99.200 -91.000 PHE 95 1.000 26.212 41.112 17.927 -99.200 -91.000 TYR 98 0.840 26.578 43.934 21.831 -99.200 -91.000 PHE 111 1.000 36.134 47.405 11.111 -99.200 -91.000 PHE 114 1.000 36.166 40.937 3.124 -99.200 -91.000 PHE 117 1.000 29.885 33.998 2.058 -99.200 -91.000 TRP 123 1.040 23.562 34.397 -0.888 -99.200 -91.000 TRP6 123 1.020 24.927 32.766 0.141 -99.200 -91.000 HIS 126 0.900 18.752 29.134 -1.689 -99.200 -91.000 TYR 137 0.840 17.721 53.938 3.994 -99.200 -91.000 PHE 138 1.000 15.724 58.728 4.981 -99.200 -91.000 PHE 143 1.000 17.798 41.687 7.607 -99.200 -91.000 TYR 144 0.840 20.061 43.731 11.405 -99.200 -91.000 TRP 149 1.040 15.306 36.873 6.364 -99.200 -91.000 TRP6 149 1.020 13.733 38.129 7.597 -99.200 -91.000 TYR 157 0.840 16.153 28.200 1.984 -99.200 -91.000 TYR 164 0.840 36.463 35.361 2.729 -99.200 -91.000 TRP 176 1.040 26.482 32.923 11.667 -99.200 -91.000 TRP6 176 1.020 28.715 32.766 12.430 -99.200 -91.000 HIS 179 0.900 13.363 34.355 11.096 -99.200 -91.000 HIS 180 0.900 16.669 30.595 16.383 -99.200 -91.000 TYR 191 0.840 13.991 30.830 6.669 -99.200 -91.000 TYR 197 0.840 21.335 21.488 7.358 -99.200 -91.000 TYR 205 0.840 31.749 29.089 14.995 -99.200 -91.000 PHE 209 1.000 24.484 28.134 14.988 -99.200 -91.000 TYR 228 0.840 21.200 39.729 15.112 -99.200 -91.000 TYR 229 0.840 24.627 32.328 16.641 -99.200 -91.000 TRP 230 1.040 31.127 37.785 17.846 -99.200 -91.000 TRP6 230 1.020 33.417 37.505 18.379 -99.200 -91.000 PHE 241 1.000 28.937 31.428 7.124 -99.200 -91.000 TRP 251 1.040 25.580 41.939 0.638 -99.200 -91.000 TRP6 251 1.020 23.888 43.583 0.553 -99.200 -91.000 TYR 252 0.840 28.994 44.908 1.791 -99.200 -91.000 PHE 254 1.000 32.442 45.081 9.402 -99.200 -91.000 HIS 272 0.900 35.739 69.980 20.593 -99.200 -91.000 HIS 282 0.900 32.047 63.005 34.503 -99.200 -91.000 PHE 291 1.000 48.177 59.025 44.557 -99.200 -91.000 HIS 295 0.900 33.833 58.047 35.182 -99.200 -91.000 TYR 305 0.840 37.979 57.266 41.351 -99.200 -91.000