============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. HIS 19 0.900 -18.697 36.471 -9.850 -99.200 -91.000 PHE 20 1.000 -20.819 31.480 -3.593 -99.200 -91.000 TRP 24 1.040 -13.173 47.852 -5.178 -99.200 -91.000 TRP6 24 1.020 -14.447 49.820 -5.493 -99.200 -91.000 HIS 25 0.900 -17.122 40.936 -7.749 -99.200 -91.000 TYR 28 0.840 -22.147 45.012 -18.161 -99.200 -91.000 TRP 48 1.040 -26.212 44.282 1.565 -99.200 -91.000 TRP6 48 1.020 -28.210 45.500 1.886 -99.200 -91.000 PHE 51 1.000 -24.986 55.367 -1.178 -99.200 -91.000 PHE 61 1.000 -15.624 60.717 1.881 -99.200 -91.000 TYR 62 0.840 -15.417 71.730 3.694 -99.200 -91.000 TRP 65 1.040 -23.446 70.288 -7.644 -99.200 -91.000 TRP6 65 1.020 -24.975 69.984 -5.853 -99.200 -91.000 TYR 68 0.840 -19.283 64.978 -1.854 -99.200 -91.000 PHE 72 1.000 -15.375 62.465 -2.630 -99.200 -91.000 PHE 79 1.000 -16.372 53.251 -2.265 -99.200 -91.000 TRP 80 1.040 -20.575 60.635 -3.436 -99.200 -91.000 TRP6 80 1.020 -22.107 60.287 -1.657 -99.200 -91.000 HIS 87 0.900 -30.969 59.791 -11.626 -99.200 -91.000 PHE 104 1.000 -12.575 56.103 15.743 -99.200 -91.000 TYR 108 0.840 -19.179 44.727 14.304 -99.200 -91.000 PHE 110 1.000 -29.102 46.388 11.944 -99.200 -91.000 TYR 113 0.840 -33.388 54.412 6.757 -99.200 -91.000 PHE 116 1.000 -30.364 56.303 -1.404 -99.200 -91.000 TYR 125 0.840 -26.850 64.824 -8.560 -99.200 -91.000 PHE 132 1.000 -35.311 52.539 11.146 -99.200 -91.000 PHE 143 1.000 -37.006 66.401 10.797 -99.200 -91.000 HIS 144 0.900 -30.949 65.162 6.590 -99.200 -91.000 PHE 149 1.000 -24.689 65.717 -1.638 -99.200 -91.000 PHE 167 1.000 -23.531 71.760 11.948 -99.200 -91.000 TRP 171 1.040 -26.758 63.783 5.115 -99.200 -91.000 TRP6 171 1.020 -25.550 61.795 4.692 -99.200 -91.000 TRP 172 1.040 -29.401 63.792 -0.494 -99.200 -91.000 TRP6 172 1.020 -28.261 61.942 0.448 -99.200 -91.000 TYR 173 0.840 -25.651 69.452 5.168 -99.200 -91.000 HIS 176 0.900 -25.772 67.342 10.821 -99.200 -91.000 TYR 184 0.840 -11.664 58.596 10.052 -99.200 -91.000 HIS 189 0.900 -17.068 65.498 17.138 -99.200 -91.000 PHE 192 1.000 -23.920 70.578 18.147 -99.200 -91.000 TRP 198 1.040 -27.343 56.724 12.447 -99.200 -91.000 TRP6 198 1.020 -27.826 57.406 10.214 -99.200 -91.000 TYR 204 0.840 -26.533 66.409 16.768 -99.200 -91.000 TYR 206 0.840 -17.738 57.454 19.170 -99.200 -91.000 TYR 208 0.840 -18.978 57.074 10.595 -99.200 -91.000