============================================================================= 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. TRP 14 1.040 14.843 18.106 14.239 -99.200 -91.000 TRP6 14 1.020 13.344 19.209 15.702 -99.200 -91.000 TRP 35 1.040 19.602 27.829 2.722 -99.200 -91.000 TRP6 35 1.020 21.381 27.620 1.173 -99.200 -91.000 HIS 41 0.900 31.204 11.073 6.454 -99.200 -91.000 PHE 43 1.000 26.944 15.505 0.071 -99.200 -91.000 TRP 49 1.040 29.104 15.845 -8.087 -99.200 -91.000 TRP6 49 1.020 29.338 16.166 -5.759 -99.200 -91.000 HIS 59 0.900 8.310 6.585 11.533 -99.200 -91.000 HIS 64 0.900 6.972 5.498 -1.051 -99.200 -91.000 TYR 82 0.840 35.645 16.501 3.703 -99.200 -91.000 HIS 89 0.900 37.829 22.556 8.885 -99.200 -91.000 HIS 97 0.900 14.556 22.972 -8.893 -99.200 -91.000 HIS 105 0.900 3.244 14.107 10.379 -99.200 -91.000 PHE 116 1.000 21.104 29.284 23.098 -99.200 -91.000 PHE 123 1.000 29.841 24.423 29.168 -99.200 -91.000 PHE 126 1.000 22.169 12.014 29.115 -99.200 -91.000 TRP 132 1.040 15.240 6.125 8.260 -99.200 -91.000 TRP6 132 1.020 15.195 8.455 7.848 -99.200 -91.000 TYR 173 0.840 37.778 24.131 13.189 -99.200 -91.000 PHE 175 1.000 29.503 17.684 19.820 -99.200 -91.000 TYR 179 0.840 25.614 6.285 26.926 -99.200 -91.000 HIS 195 0.900 24.886 16.363 19.712 -99.200 -91.000 HIS 198 0.900 13.499 20.136 24.892 -99.200 -91.000 TYR 199 0.840 18.862 26.660 27.628 -99.200 -91.000 TRP 203 1.040 13.732 19.583 20.812 -99.200 -91.000 TRP6 203 1.020 15.056 17.833 21.691 -99.200 -91.000 TYR 204 0.840 18.011 26.513 20.518 -99.200 -91.000 TRP 211 1.040 35.671 11.796 13.286 -99.200 -91.000 TRP6 211 1.020 37.375 10.758 14.569 -99.200 -91.000 HIS 220 0.900 38.146 3.659 20.660 -99.200 -91.000 PHE 221 1.000 33.279 8.386 25.421 -99.200 -91.000 TYR 224 0.840 27.820 12.675 17.551 -99.200 -91.000 TYR 230 0.840 32.511 24.029 10.713 -99.200 -91.000 TRP 233 1.040 31.840 28.084 5.637 -99.200 -91.000 TRP6 233 1.020 30.690 26.095 5.044 -99.200 -91.000 PHE 252 1.000 35.731 27.279 9.020 -99.200 -91.000