============================================================================= 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 19 1.000 48.830 21.189 -7.796 -99.200 -91.000 HIS 23 0.900 33.351 20.393 -6.346 -99.200 -91.000 HIS 25 0.900 32.143 24.313 -2.390 -99.200 -91.000 PHE 33 1.000 23.692 31.443 7.810 -99.200 -91.000 TRP 37 1.040 23.604 34.151 12.790 -99.200 -91.000 TRP6 37 1.020 22.166 32.277 12.945 -99.200 -91.000 PHE 40 1.000 26.719 28.887 11.653 -99.200 -91.000 PHE 41 1.000 29.768 31.419 8.228 -99.200 -91.000 HIS 57 0.900 49.652 24.231 4.869 -99.200 -91.000 PHE 72 1.000 20.882 33.287 -5.226 -99.200 -91.000 HIS 91 0.900 46.020 33.841 -10.334 -99.200 -91.000 TRP 99 1.040 25.084 22.223 -3.865 -99.200 -91.000 TRP6 99 1.020 24.366 22.712 -1.659 -99.200 -91.000 PHE 100 1.000 22.619 19.368 -2.331 -99.200 -91.000 PHE 117 1.000 21.381 33.989 -11.363 -99.200 -91.000 PHE 118 1.000 22.346 28.909 -14.523 -99.200 -91.000 HIS 124 0.900 25.993 43.272 -15.402 -99.200 -91.000 PHE 146 1.000 14.990 24.858 -10.560 -99.200 -91.000 HIS 168 0.900 26.579 17.035 -5.113 -99.200 -91.000 PHE 183 1.000 25.627 18.697 -18.528 -99.200 -91.000 HIS 197 0.900 31.006 16.105 -5.426 -99.200 -91.000 TYR 206 0.840 29.781 6.873 -13.343 -99.200 -91.000 TYR 215 0.840 30.465 13.739 -20.784 -99.200 -91.000 TYR 224 0.840 35.411 16.005 2.492 -99.200 -91.000 PHE 239 1.000 35.846 14.007 7.097 -99.200 -91.000 TRP 244 1.040 45.585 9.599 2.848 -99.200 -91.000 TRP6 244 1.020 47.316 9.647 1.227 -99.200 -91.000 TYR 259 0.840 40.029 6.236 -20.612 -99.200 -91.000 HIS 267 0.900 42.497 19.507 -1.583 -99.200 -91.000 TRP 269 1.040 39.392 21.489 3.830 -99.200 -91.000 TRP6 269 1.020 38.781 19.372 4.714 -99.200 -91.000 PHE 271 1.000 40.087 27.385 3.591 -99.200 -91.000 PHE 273 1.000 29.678 21.800 5.262 -99.200 -91.000 TYR 276 0.840 26.610 17.836 7.794 -99.200 -91.000 PHE 294 1.000 44.910 14.451 1.881 -99.200 -91.000 PHE 302 1.000 49.361 6.400 -2.554 -99.200 -91.000 PHE 324 1.000 36.259 21.772 -16.586 -99.200 -91.000