============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 -3.497 40.400 43.219 -99.200 -91.000 TRP6 12 1.020 -4.452 40.606 45.378 -99.200 -91.000 TYR 20 0.840 1.326 21.253 29.398 -99.200 -91.000 TRP 26 1.040 8.966 25.676 28.430 -99.200 -91.000 TRP6 26 1.020 9.107 24.028 30.121 -99.200 -91.000 HIS 28 0.900 -1.485 29.357 33.480 -99.200 -91.000 TRP 39 1.040 10.588 24.214 49.769 -99.200 -91.000 TRP6 39 1.020 9.870 22.014 49.285 -99.200 -91.000 HIS 45 0.900 -6.825 19.983 40.316 -99.200 -91.000 PHE 53 1.000 3.773 19.672 35.804 -99.200 -91.000 HIS 60 0.900 0.109 42.215 34.413 -99.200 -91.000 TYR 71 0.840 10.787 32.786 31.755 -99.200 -91.000 HIS 80 0.900 -2.101 15.226 52.627 -99.200 -91.000 TYR 82 0.840 -4.410 9.991 54.724 -99.200 -91.000 TRP 83 1.040 -4.190 13.864 44.468 -99.200 -91.000 TRP6 83 1.020 -6.240 15.026 44.274 -99.200 -91.000 TYR 91 0.840 -7.038 14.059 52.747 -99.200 -91.000 TYR 107 0.840 7.619 44.457 39.159 -99.200 -91.000 TYR 127 0.840 -10.073 41.718 45.677 -99.200 -91.000 TRP 131 1.040 -1.770 34.979 33.814 -99.200 -91.000 TRP6 131 1.020 -0.396 34.458 35.671 -99.200 -91.000 TYR 148 0.840 -15.273 41.492 47.490 -99.200 -91.000 TYR 154 0.840 -18.759 21.978 56.495 -99.200 -91.000 TYR 160 0.840 -25.358 28.106 48.882 -99.200 -91.000 TRP 161 1.040 -20.085 23.556 45.712 -99.200 -91.000 TRP6 161 1.020 -19.624 22.164 43.849 -99.200 -91.000 HIS 190 0.900 -3.882 36.528 46.542 -99.200 -91.000 TYR 197 0.840 -5.872 41.747 50.464 -99.200 -91.000 HIS 200 0.900 -7.207 32.811 55.509 -99.200 -91.000 PHE 205 1.000 -14.573 20.702 44.269 -99.200 -91.000 PHE 220 1.000 -11.127 29.261 46.146 -99.200 -91.000 TYR 226 0.840 -4.623 20.099 53.855 -99.200 -91.000 TRP 229 1.040 1.657 17.220 54.133 -99.200 -91.000 TRP6 229 1.020 1.747 18.408 52.087 -99.200 -91.000