============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 10 1.000 -2.529 39.517 17.824 -99.200 -91.000 TYR 26 0.840 3.748 36.722 33.394 -99.200 -91.000 TRP 41 1.040 8.605 36.601 18.519 -99.200 -91.000 TRP6 41 1.020 7.267 38.404 19.274 -99.200 -91.000 PHE 46 1.000 12.623 24.792 4.030 -99.200 -91.000 TRP 64 1.040 23.009 40.750 14.298 -99.200 -91.000 TRP6 64 1.020 24.866 39.298 14.273 -99.200 -91.000 HIS 70 0.900 19.311 21.658 19.334 -99.200 -91.000 TYR 74 0.840 23.549 16.097 18.729 -99.200 -91.000 TRP 76 1.040 21.593 12.343 16.313 -99.200 -91.000 TRP6 76 1.020 19.386 13.219 16.288 -99.200 -91.000 PHE 80 1.000 22.718 21.069 8.643 -99.200 -91.000 HIS 92 0.900 -0.939 30.923 10.352 -99.200 -91.000 TYR 97 0.840 7.175 31.666 -1.900 -99.200 -91.000 TYR 111 0.840 29.477 35.570 14.047 -99.200 -91.000 HIS 113 0.900 29.128 30.347 24.695 -99.200 -91.000 TYR 116 0.840 26.715 23.081 20.966 -99.200 -91.000 TRP 118 1.040 30.083 19.260 20.262 -99.200 -91.000 TRP6 118 1.020 30.968 17.080 19.952 -99.200 -91.000 PHE 137 1.000 12.184 44.958 11.686 -99.200 -91.000 TYR 140 0.840 1.195 39.544 7.594 -99.200 -91.000 HIS 142 0.900 7.929 44.795 15.503 -99.200 -91.000 TYR 159 0.840 6.003 34.735 37.914 -99.200 -91.000 TRP 166 1.040 5.403 26.511 11.140 -99.200 -91.000 TRP6 166 1.020 7.014 28.244 11.289 -99.200 -91.000 PHE 203 1.000 13.915 28.746 30.808 -99.200 -91.000 TYR 207 0.840 0.620 23.071 31.987 -99.200 -91.000 PHE 226 1.000 9.520 29.580 28.195 -99.200 -91.000 PHE 232 1.000 7.181 44.266 35.940 -99.200 -91.000 TRP 236 1.040 4.427 39.566 23.291 -99.200 -91.000 TRP6 236 1.020 3.604 37.578 24.273 -99.200 -91.000 TYR 237 0.840 11.421 42.322 27.578 -99.200 -91.000 TRP 244 1.040 18.732 19.350 27.038 -99.200 -91.000 TRP6 244 1.020 18.172 17.732 28.674 -99.200 -91.000 TYR 254 0.840 8.951 18.511 34.576 -99.200 -91.000 PHE 256 1.000 15.888 19.952 31.452 -99.200 -91.000 TYR 257 0.840 11.863 25.409 26.926 -99.200 -91.000 HIS 259 0.900 18.684 31.979 32.546 -99.200 -91.000 PHE 261 1.000 20.462 38.937 32.281 -99.200 -91.000 TRP 266 1.040 28.911 34.106 22.529 -99.200 -91.000 TRP6 266 1.020 27.141 33.412 21.129 -99.200 -91.000 PHE 274 1.000 32.714 38.638 15.298 -99.200 -91.000