============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 9 1.000 -2.509 10.994 2.713 -99.200 -91.000 HIS 16 0.900 -6.827 3.872 -11.708 -99.200 -91.000 TYR 28 0.840 -5.725 9.305 6.452 -99.200 -91.000 PHE 33 1.000 -4.251 13.171 -9.417 -99.200 -91.000 HIS 34 0.900 0.215 19.311 -8.634 -99.200 -91.000 HIS 51 0.900 0.812 16.306 7.975 -99.200 -91.000 PHE 52 1.000 0.875 10.071 5.448 -99.200 -91.000 HIS 60 0.900 14.881 11.772 -10.456 -99.200 -91.000 PHE 78 1.000 0.594 5.751 -4.842 -99.200 -91.000 PHE 98 1.000 4.873 1.794 3.774 -99.200 -91.000 PHE 102 1.000 6.180 -9.286 -5.317 -99.200 -91.000 HIS 131 0.900 3.234 -0.777 -41.068 -99.200 -91.000 TRP 135 1.040 2.197 -10.184 -50.057 -99.200 -91.000 TRP6 135 1.020 0.280 -9.139 -49.128 -99.200 -91.000 PHE 143 1.000 6.667 -24.137 -36.719 -99.200 -91.000 TYR 155 0.840 5.560 -22.072 -11.931 -99.200 -91.000 HIS 157 0.900 4.194 -12.528 -6.459 -99.200 -91.000 TYR 171 0.840 2.011 -30.332 -24.593 -99.200 -91.000 TYR 173 0.840 7.664 -29.080 -20.305 -99.200 -91.000 PHE 174 1.000 7.975 -24.771 -12.256 -99.200 -91.000 TYR 175 0.840 16.918 -23.534 -13.204 -99.200 -91.000 HIS 191 0.900 20.306 -31.064 -13.682 -99.200 -91.000 HIS 204 0.900 8.334 -13.698 -17.008 -99.200 -91.000 HIS 248 0.900 20.569 -21.962 -31.771 -99.200 -91.000 PHE 257 1.000 15.692 -2.707 -24.617 -99.200 -91.000 PHE 268 1.000 15.976 1.184 -27.672 -99.200 -91.000 PHE 275 1.000 19.529 -8.755 -35.483 -99.200 -91.000 HIS 283 0.900 11.303 -1.148 -17.410 -99.200 -91.000 TYR 306 0.840 4.224 4.906 9.017 -99.200 -91.000 PHE 318 1.000 10.740 3.452 9.292 -99.200 -91.000 HIS 326 0.900 -6.357 -7.519 19.671 -99.200 -91.000 HIS 332 0.900 10.808 6.440 20.825 -99.200 -91.000 HIS 334 0.900 13.828 3.217 19.130 -99.200 -91.000 PHE 348 1.000 3.875 3.856 27.721 -99.200 -91.000 TYR 359 0.840 6.283 -6.987 15.642 -99.200 -91.000 TYR 367 0.840 7.629 1.757 13.649 -99.200 -91.000 TYR 398 0.840 -5.362 2.577 17.428 -99.200 -91.000