============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 14 1.040 25.904 20.528 -2.774 -99.200 -91.000 TRP6 14 1.020 27.028 22.166 -1.476 -99.200 -91.000 PHE 26 1.000 19.962 7.930 -15.734 -99.200 -91.000 PHE 35 1.000 37.666 5.992 -4.658 -99.200 -91.000 TYR 36 0.840 31.606 5.037 -1.229 -99.200 -91.000 HIS 42 0.900 13.430 7.889 -8.334 -99.200 -91.000 TYR 45 0.840 14.757 -0.329 -9.950 -99.200 -91.000 PHE 50 1.000 23.883 4.678 -13.256 -99.200 -91.000 HIS 61 0.900 35.313 10.539 -11.523 -99.200 -91.000 HIS 69 0.900 17.188 0.345 2.518 -99.200 -91.000 PHE 72 1.000 12.772 1.921 -5.249 -99.200 -91.000 TYR 77 0.840 8.974 5.941 -7.078 -99.200 -91.000 PHE 79 1.000 12.491 0.918 3.694 -99.200 -91.000 PHE 92 1.000 36.186 15.962 -3.026 -99.200 -91.000 TRP 106 1.040 23.319 19.878 15.135 -99.200 -91.000 TRP6 106 1.020 23.808 20.391 12.884 -99.200 -91.000 PHE 122 1.000 23.141 19.771 -14.560 -99.200 -91.000 HIS 126 0.900 8.532 24.246 -19.547 -99.200 -91.000 TYR 142 0.840 13.382 20.926 5.869 -99.200 -91.000 PHE 154 1.000 0.569 7.872 -6.014 -99.200 -91.000 PHE 161 1.000 12.752 15.975 3.373 -99.200 -91.000 TYR 165 0.840 7.597 27.870 -2.092 -99.200 -91.000 HIS 181 0.900 15.922 19.140 1.274 -99.200 -91.000 PHE 185 1.000 23.566 25.399 12.304 -99.200 -91.000 TYR 189 0.840 25.029 25.802 1.547 -99.200 -91.000 PHE 190 1.000 26.015 20.404 8.199 -99.200 -91.000 TRP 197 1.040 7.489 9.893 -4.054 -99.200 -91.000 TRP6 197 1.020 5.223 10.457 -3.777 -99.200 -91.000 TYR 207 0.840 2.802 20.766 0.094 -99.200 -91.000 TYR 210 0.840 12.565 17.125 -1.853 -99.200 -91.000 PHE 216 1.000 16.520 5.529 4.276 -99.200 -91.000 TRP 219 1.040 21.395 1.377 3.459 -99.200 -91.000 TRP6 219 1.020 21.968 2.655 1.562 -99.200 -91.000