============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TRP 17 1.040 18.043 20.112 16.869 -99.200 -91.000 TRP6 17 1.020 17.348 21.110 18.914 -99.200 -91.000 PHE 18 1.000 11.107 18.879 21.834 -99.200 -91.000 PHE 22 1.000 10.203 15.797 25.698 -99.200 -91.000 HIS 35 0.900 20.237 -0.259 39.696 -99.200 -91.000 TYR 41 0.840 28.042 5.030 41.465 -99.200 -91.000 TRP 43 1.040 29.027 11.217 32.266 -99.200 -91.000 TRP6 43 1.020 27.425 12.686 33.250 -99.200 -91.000 TRP 44 1.040 26.182 12.055 39.687 -99.200 -91.000 TRP6 44 1.020 26.344 11.157 41.897 -99.200 -91.000 PHE 64 1.000 14.784 9.728 48.125 -99.200 -91.000 TYR 98 0.840 11.480 48.986 34.617 -99.200 -91.000 TYR 99 0.840 12.004 40.871 30.132 -99.200 -91.000 HIS 106 0.900 5.699 32.814 32.941 -99.200 -91.000 PHE 108 1.000 5.300 24.069 38.900 -99.200 -91.000 PHE 119 1.000 18.578 43.058 43.021 -99.200 -91.000 HIS 129 0.900 8.813 24.125 41.534 -99.200 -91.000 HIS 130 0.900 16.629 29.853 44.152 -99.200 -91.000 PHE 131 1.000 16.124 23.855 38.682 -99.200 -91.000 TYR 133 0.840 26.127 24.581 42.245 -99.200 -91.000 PHE 137 1.000 20.706 27.122 50.907 -99.200 -91.000 PHE 150 1.000 26.116 19.716 39.408 -99.200 -91.000 TRP 157 1.040 25.309 21.024 52.195 -99.200 -91.000 TRP6 157 1.020 23.467 21.982 51.033 -99.200 -91.000 HIS 169 0.900 36.321 23.257 52.282 -99.200 -91.000 TYR 171 0.840 33.544 22.662 44.411 -99.200 -91.000 TYR 188 0.840 18.315 18.222 37.220 -99.200 -91.000 HIS 189 0.900 17.354 9.664 38.631 -99.200 -91.000 PHE 192 1.000 15.826 15.476 33.016 -99.200 -91.000 TYR 195 0.840 16.885 13.611 28.581 -99.200 -91.000 PHE 197 1.000 28.462 15.449 28.808 -99.200 -91.000 TRP 200 1.040 17.735 17.545 25.702 -99.200 -91.000 TRP6 200 1.020 16.485 18.794 24.131 -99.200 -91.000 HIS 204 0.900 29.581 19.608 21.620 -99.200 -91.000 TYR 207 0.840 29.942 19.342 35.862 -99.200 -91.000 PHE 217 1.000 13.105 19.818 37.194 -99.200 -91.000 HIS 220 0.900 11.989 15.648 29.842 -99.200 -91.000 TYR 228 0.840 10.706 35.724 31.496 -99.200 -91.000 PHE 230 1.000 18.561 30.533 30.971 -99.200 -91.000 TRP 238 1.040 28.655 36.518 28.320 -99.200 -91.000 TRP6 238 1.020 26.968 34.855 28.158 -99.200 -91.000 HIS 239 0.900 26.054 42.675 33.742 -99.200 -91.000 HIS 240 0.900 26.095 36.124 38.765 -99.200 -91.000 TYR 241 0.840 18.957 39.083 39.145 -99.200 -91.000 TRP 242 1.040 23.292 38.734 42.828 -99.200 -91.000 TRP6 242 1.020 22.847 37.051 41.234 -99.200 -91.000 HIS 246 0.900 29.172 23.991 33.566 -99.200 -91.000 PHE 250 1.000 26.406 21.560 21.357 -99.200 -91.000 PHE 267 1.000 9.381 36.724 26.939 -99.200 -91.000