============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TYR 7 0.840 12.903 -9.723 -14.342 -99.200 -91.000 HIS 21 0.900 7.948 -18.458 -17.323 -99.200 -91.000 HIS 33 0.900 11.487 11.958 2.587 -99.200 -91.000 TRP 37 1.040 6.508 15.823 5.136 -99.200 -91.000 TRP6 37 1.020 7.655 14.098 6.279 -99.200 -91.000 PHE 38 1.000 10.320 15.693 0.328 -99.200 -91.000 HIS 40 0.900 7.113 18.996 -4.033 -99.200 -91.000 TYR 52 0.840 9.190 5.036 -20.130 -99.200 -91.000 TRP 54 1.040 17.135 7.837 -12.988 -99.200 -91.000 TRP6 54 1.020 17.692 8.091 -10.709 -99.200 -91.000 TYR 64 0.840 7.117 9.340 6.681 -99.200 -91.000 TYR 70 0.840 -4.926 6.017 5.623 -99.200 -91.000 PHE 77 1.000 -1.976 11.540 2.663 -99.200 -91.000 HIS 82 0.900 -7.143 2.731 -5.006 -99.200 -91.000 TYR 94 0.840 7.707 -6.764 -11.168 -99.200 -91.000 TRP 99 1.040 0.231 0.867 7.652 -99.200 -91.000 TRP6 99 1.020 -1.660 2.095 6.955 -99.200 -91.000 HIS 100 0.900 8.132 5.168 5.700 -99.200 -91.000 HIS 108 0.900 -3.066 -4.056 17.779 -99.200 -91.000 TYR 109 0.840 -0.967 5.186 17.628 -99.200 -91.000 PHE 117 1.000 -3.388 2.022 1.897 -99.200 -91.000 PHE 118 1.000 -1.439 -2.593 3.423 -99.200 -91.000 HIS 125 0.900 -4.733 -0.992 -7.504 -99.200 -91.000 TYR 133 0.840 -0.853 -5.724 -1.734 -99.200 -91.000 TRP 144 1.040 9.828 -12.429 15.261 -99.200 -91.000 TRP6 144 1.020 9.399 -11.217 13.284 -99.200 -91.000 TYR 150 0.840 0.787 -4.801 11.871 -99.200 -91.000 TRP 174 1.040 13.880 2.815 14.311 -99.200 -91.000 TRP6 174 1.020 14.976 2.455 16.376 -99.200 -91.000 TYR 200 0.840 10.250 -12.837 7.602 -99.200 -91.000 PHE 202 1.000 19.770 -5.263 7.133 -99.200 -91.000 HIS 203 0.900 13.844 -0.284 6.252 -99.200 -91.000 PHE 204 1.000 22.247 -1.408 3.335 -99.200 -91.000 TYR 205 0.840 19.304 4.782 6.576 -99.200 -91.000 HIS 209 0.900 22.781 1.214 10.401 -99.200 -91.000 TYR 213 0.840 23.355 -2.375 11.877 -99.200 -91.000 PHE 224 1.000 14.824 -14.411 7.800 -99.200 -91.000 PHE 227 1.000 12.751 -5.610 -2.418 -99.200 -91.000 PHE 231 1.000 20.481 0.899 -0.892 -99.200 -91.000 TYR 236 0.840 21.854 7.656 13.553 -99.200 -91.000 PHE 244 1.000 28.955 7.412 -2.806 -99.200 -91.000 TYR 250 0.840 25.573 -2.925 3.967 -99.200 -91.000 TRP 261 1.040 19.693 -3.036 -4.516 -99.200 -91.000 TRP6 261 1.020 19.776 -1.006 -5.736 -99.200 -91.000 TRP 264 1.040 15.094 7.586 2.991 -99.200 -91.000 TRP6 264 1.020 12.743 7.407 2.960 -99.200 -91.000 TYR 266 0.840 12.955 9.327 -8.780 -99.200 -91.000 PHE 270 1.000 17.635 19.310 4.943 -99.200 -91.000 PHE 276 1.000 15.807 13.337 -9.018 -99.200 -91.000 TRP 287 1.040 12.819 14.348 -14.219 -99.200 -91.000 TRP6 287 1.020 12.067 15.359 -12.218 -99.200 -91.000 TRP 298 1.040 27.239 4.334 -5.285 -99.200 -91.000 TRP6 298 1.020 25.528 3.126 -4.188 -99.200 -91.000