============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 34 0.900 32.952 -19.804 0.035 -99.200 -91.000 TRP 35 1.040 38.760 -20.875 6.131 -99.200 -91.000 TRP6 35 1.020 39.462 -20.367 8.337 -99.200 -91.000 TYR 36 0.840 36.387 -13.865 1.369 -99.200 -91.000 TRP 47 1.040 45.071 -17.760 1.475 -99.200 -91.000 TRP6 47 1.020 46.089 -16.136 0.086 -99.200 -91.000 TYR 49 0.840 37.309 -22.775 -4.675 -99.200 -91.000 PHE 62 1.000 48.279 -20.178 3.155 -99.200 -91.000 TYR 71 0.840 33.142 -25.661 8.177 -99.200 -91.000 TYR 86 0.840 45.440 -16.080 6.695 -99.200 -91.000 TYR 87 0.840 38.705 -10.688 8.792 -99.200 -91.000 HIS 89 0.900 30.958 -14.894 3.689 -99.200 -91.000 TYR 91 0.840 26.609 -16.047 -0.862 -99.200 -91.000 HIS 92 0.900 23.858 -23.455 4.452 -99.200 -91.000 TYR 96 0.840 24.008 -14.361 2.290 -99.200 -91.000 PHE 98 1.000 32.318 -11.565 5.546 -99.200 -91.000 PHE 118 1.000 62.274 12.612 21.273 -99.200 -91.000 PHE 135 1.000 58.735 9.284 18.885 -99.200 -91.000 PHE 139 1.000 57.844 -2.609 21.549 -99.200 -91.000 TYR 140 0.840 58.110 -11.016 18.632 -99.200 -91.000 TRP 148 1.040 53.136 9.485 29.562 -99.200 -91.000 TRP6 148 1.020 54.964 10.800 28.845 -99.200 -91.000 TRP 163 1.040 50.767 -0.393 21.056 -99.200 -91.000 TRP6 163 1.020 48.922 0.747 22.011 -99.200 -91.000 TYR 173 0.840 54.568 -6.516 16.972 -99.200 -91.000 TYR 186 0.840 56.454 21.108 30.075 -99.200 -91.000 HIS 189 0.900 52.619 19.407 37.563 -99.200 -91.000 TYR 192 0.840 56.261 17.194 32.877 -99.200 -91.000 HIS 198 0.900 59.163 -5.792 25.517 -99.200 -91.000 PHE 209 1.000 60.903 16.609 29.954 -99.200 -91.000