============================================================================= 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 8.219 7.286 18.435 -99.200 -91.000 TRP6 14 1.020 6.946 9.178 19.088 -99.200 -91.000 PHE 19 1.000 12.868 -4.111 3.001 -99.200 -91.000 TRP 37 1.040 22.814 11.335 14.136 -99.200 -91.000 TRP6 37 1.020 24.630 9.830 14.057 -99.200 -91.000 HIS 43 0.900 19.321 -8.033 19.222 -99.200 -91.000 TYR 47 0.840 23.519 -13.112 18.640 -99.200 -91.000 TRP 49 1.040 21.635 -16.632 16.347 -99.200 -91.000 TRP6 49 1.020 19.662 -15.468 16.898 -99.200 -91.000 PHE 53 1.000 22.331 -7.988 8.418 -99.200 -91.000 HIS 65 0.900 -1.023 1.448 9.906 -99.200 -91.000 TYR 70 0.840 7.364 2.543 -2.011 -99.200 -91.000 TYR 84 0.840 29.069 6.295 13.968 -99.200 -91.000 HIS 86 0.900 28.643 0.861 24.695 -99.200 -91.000 TYR 89 0.840 26.410 -6.386 20.786 -99.200 -91.000 TRP 91 1.040 29.799 -10.096 20.135 -99.200 -91.000 TRP6 91 1.020 30.742 -12.232 19.771 -99.200 -91.000 PHE 110 1.000 11.839 15.907 11.690 -99.200 -91.000 TYR 113 0.840 1.012 10.269 7.241 -99.200 -91.000 HIS 115 0.900 7.682 15.273 15.579 -99.200 -91.000 TYR 132 0.840 5.677 5.360 37.478 -99.200 -91.000 TRP 139 1.040 5.508 -2.931 10.759 -99.200 -91.000 TRP6 139 1.020 7.004 -1.127 10.995 -99.200 -91.000 PHE 177 1.000 13.317 -0.829 30.580 -99.200 -91.000 TYR 181 0.840 0.253 -6.338 31.838 -99.200 -91.000 PHE 200 1.000 9.102 0.158 28.056 -99.200 -91.000 PHE 206 1.000 6.927 14.390 35.966 -99.200 -91.000 TRP 210 1.040 3.996 9.982 23.223 -99.200 -91.000 TRP6 210 1.020 3.250 7.943 24.156 -99.200 -91.000 TYR 211 0.840 11.230 12.609 27.500 -99.200 -91.000 TRP 218 1.040 18.230 -10.060 26.971 -99.200 -91.000 TRP6 218 1.020 17.740 -11.611 28.680 -99.200 -91.000 TYR 228 0.840 8.493 -10.811 34.271 -99.200 -91.000 PHE 230 1.000 15.443 -9.464 31.345 -99.200 -91.000 TYR 231 0.840 11.536 -4.055 26.631 -99.200 -91.000 HIS 233 0.900 18.290 2.169 32.588 -99.200 -91.000 PHE 235 1.000 20.132 9.073 32.373 -99.200 -91.000 TRP 240 1.040 28.508 4.779 22.385 -99.200 -91.000 TRP6 240 1.020 26.820 4.084 20.892 -99.200 -91.000 PHE 248 1.000 32.443 9.374 14.875 -99.200 -91.000