============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 -28.593 6.921 35.915 -99.200 -91.000 TRP6 14 1.020 -30.892 6.541 35.526 -99.200 -91.000 PHE 19 1.000 -10.370 0.039 33.117 -99.200 -91.000 TRP 37 1.040 -22.598 17.834 26.364 -99.200 -91.000 TRP6 37 1.020 -20.560 18.923 26.848 -99.200 -91.000 HIS 43 0.900 -12.558 13.871 44.075 -99.200 -91.000 TYR 47 0.840 -6.774 16.496 45.500 -99.200 -91.000 TRP 49 1.040 -5.755 12.412 47.047 -99.200 -91.000 TRP6 49 1.020 -7.779 13.617 47.291 -99.200 -91.000 PHE 53 1.000 -6.234 10.395 35.425 -99.200 -91.000 HIS 65 0.900 -24.562 -6.033 37.071 -99.200 -91.000 TYR 70 0.840 -14.316 -5.238 25.954 -99.200 -91.000 TYR 84 0.840 -15.538 21.568 27.824 -99.200 -91.000 HIS 86 0.900 -17.286 25.968 38.718 -99.200 -91.000 TYR 89 0.840 -11.321 20.928 41.567 -99.200 -91.000 TRP 91 1.040 -4.962 20.785 42.273 -99.200 -91.000 TRP6 91 1.020 -2.912 20.370 43.369 -99.200 -91.000 PHE 110 1.000 -29.396 8.001 24.591 -99.200 -91.000 TYR 113 0.840 -28.375 -4.266 28.892 -99.200 -91.000 HIS 115 0.900 -33.081 6.257 28.654 -99.200 -91.000 TYR 132 0.840 -38.428 14.806 51.232 -99.200 -91.000 TRP 139 1.040 -18.700 -1.014 38.793 -99.200 -91.000 TRP6 139 1.020 -19.349 0.751 37.364 -99.200 -91.000 PHE 178 1.000 -26.583 16.438 48.068 -99.200 -91.000 TYR 182 0.840 -30.046 4.970 56.544 -99.200 -91.000 PHE 201 1.000 -28.056 11.536 47.124 -99.200 -91.000 PHE 207 1.000 -43.276 16.474 43.064 -99.200 -91.000 TRP 211 1.040 -35.093 6.456 38.439 -99.200 -91.000 TRP6 211 1.020 -34.541 5.917 40.669 -99.200 -91.000 TYR 212 0.840 -36.018 15.077 37.678 -99.200 -91.000 TRP 219 1.040 -15.967 16.571 50.528 -99.200 -91.000 TRP6 219 1.020 -15.979 16.845 52.883 -99.200 -91.000 TYR 229 0.840 -24.427 12.454 59.067 -99.200 -91.000 PHE 231 1.000 -20.077 16.603 54.096 -99.200 -91.000 TYR 232 0.840 -23.357 11.963 48.260 -99.200 -91.000 HIS 234 0.900 -27.584 21.743 45.684 -99.200 -91.000 PHE 236 1.000 -31.373 24.312 40.746 -99.200 -91.000 TRP 241 1.040 -19.024 25.418 34.857 -99.200 -91.000 TRP6 241 1.020 -18.822 23.066 34.793 -99.200 -91.000 PHE 249 1.000 -16.264 25.467 25.705 -99.200 -91.000