============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. HIS 2 0.900 5.188 0.217 41.312 -99.200 -91.000 TYR 9 0.840 -8.953 14.069 33.442 -99.200 -91.000 TYR 11 0.840 -11.696 6.446 30.863 -99.200 -91.000 HIS 17 0.900 -9.801 21.472 23.634 -99.200 -91.000 PHE 18 1.000 -4.709 16.026 24.952 -99.200 -91.000 HIS 26 0.900 -1.738 7.927 26.163 -99.200 -91.000 HIS 27 0.900 -6.545 5.245 33.063 -99.200 -91.000 HIS 30 0.900 -0.680 2.471 23.926 -99.200 -91.000 HIS 31 0.900 -0.476 4.822 33.630 -99.200 -91.000 TYR 34 0.840 4.258 2.185 28.842 -99.200 -91.000 HIS 45 0.900 15.093 -7.962 41.257 -99.200 -91.000 HIS 78 0.900 2.726 3.390 37.521 -99.200 -91.000 HIS 81 0.900 2.043 7.074 29.485 -99.200 -91.000 PHE 83 1.000 4.159 15.700 35.392 -99.200 -91.000 PHE 84 1.000 -0.413 13.485 28.924 -99.200 -91.000 TRP 85 1.040 -3.061 9.136 33.216 -99.200 -91.000 TRP6 85 1.020 -3.375 9.222 30.863 -99.200 -91.000 PHE 108 1.000 10.775 29.328 29.333 -99.200 -91.000 PHE 111 1.000 0.898 30.659 28.194 -99.200 -91.000 PHE 114 1.000 6.192 27.084 28.445 -99.200 -91.000 PHE 118 1.000 5.728 21.704 26.262 -99.200 -91.000 PHE 126 1.000 13.186 11.254 13.012 -99.200 -91.000 TRP 130 1.040 6.679 11.063 27.675 -99.200 -91.000 TRP6 130 1.020 4.630 11.562 28.735 -99.200 -91.000 TRP 132 1.040 9.700 15.711 29.861 -99.200 -91.000 TRP6 132 1.020 8.108 14.611 31.208 -99.200 -91.000 TRP 165 1.040 6.118 7.413 23.521 -99.200 -91.000 TRP6 165 1.020 6.545 5.088 23.369 -99.200 -91.000 HIS 167 0.900 1.332 5.779 23.081 -99.200 -91.000 TYR 169 0.840 1.041 12.635 17.447 -99.200 -91.000 TYR 170 0.840 -1.002 8.512 12.796 -99.200 -91.000 TYR 173 0.840 -5.281 16.603 17.330 -99.200 -91.000 TYR 180 0.840 -0.952 15.424 21.218 -99.200 -91.000 PHE 184 1.000 0.062 20.182 27.103 -99.200 -91.000 TRP 185 1.040 -0.116 25.297 23.854 -99.200 -91.000 TRP6 185 1.020 1.504 25.017 25.543 -99.200 -91.000 TRP 190 1.040 -1.414 26.976 32.091 -99.200 -91.000 TRP6 190 1.020 0.897 26.660 31.897 -99.200 -91.000 TYR 197 0.840 8.039 27.573 40.004 -99.200 -91.000