============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 181.058 23.419 -75.860 -99.200 -91.000 PHE 5 1.000 181.980 31.746 -81.013 -99.200 -91.000 TYR 28 0.840 156.621 22.879 -72.873 -99.200 -91.000 TYR 44 0.840 141.672 31.090 -63.694 -99.200 -91.000 TYR 48 0.840 133.628 30.471 -61.214 -99.200 -91.000 TYR 50 0.840 139.073 25.273 -52.304 -99.200 -91.000 HIS 51 0.900 135.766 34.166 -55.320 -99.200 -91.000 PHE 54 1.000 133.511 34.926 -49.779 -99.200 -91.000 TYR 56 0.840 125.909 27.087 -47.904 -99.200 -91.000 PHE 57 1.000 130.255 26.714 -45.534 -99.200 -91.000 PHE 70 1.000 140.370 26.264 -45.715 -99.200 -91.000 PHE 71 1.000 135.544 26.189 -47.727 -99.200 -91.000 HIS 81 0.900 148.188 26.549 -55.564 -99.200 -91.000 TYR 88 0.840 157.227 24.970 -66.575 -99.200 -91.000 PHE 108 1.000 129.318 24.340 -51.835 -99.200 -91.000 HIS 110 0.900 124.987 15.502 -46.198 -99.200 -91.000 HIS 118 0.900 128.235 18.026 -48.617 -99.200 -91.000 HIS 138 0.900 156.459 13.491 -62.127 -99.200 -91.000 PHE 152 1.000 156.385 24.622 -62.717 -99.200 -91.000 TYR 157 0.840 151.963 23.838 -59.373 -99.200 -91.000 TYR 171 0.840 141.362 23.233 -41.564 -99.200 -91.000 HIS 182 0.900 129.371 25.366 -27.417 -99.200 -91.000 TRP 185 1.040 129.702 30.115 -33.148 -99.200 -91.000 TRP6 185 1.020 130.805 30.581 -31.110 -99.200 -91.000 HIS 186 0.900 135.446 26.123 -29.005 -99.200 -91.000 PHE 187 1.000 137.136 23.355 -37.697 -99.200 -91.000 HIS 193 0.900 139.518 34.715 -33.835 -99.200 -91.000