============================================================================= 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 -3.580 40.076 42.850 -99.200 -91.000 TRP6 12 1.020 -4.641 40.312 44.955 -99.200 -91.000 TYR 20 0.840 0.965 21.044 29.050 -99.200 -91.000 TRP 26 1.040 8.650 25.572 28.085 -99.200 -91.000 TRP6 26 1.020 8.608 23.969 29.776 -99.200 -91.000 HIS 28 0.900 -1.493 29.128 33.127 -99.200 -91.000 TRP 39 1.040 10.384 23.748 49.320 -99.200 -91.000 TRP6 39 1.020 9.654 21.578 48.824 -99.200 -91.000 HIS 45 0.900 -7.495 17.721 38.366 -99.200 -91.000 PHE 53 1.000 3.699 19.432 35.328 -99.200 -91.000 HIS 60 0.900 0.110 41.767 34.253 -99.200 -91.000 TYR 71 0.840 10.637 32.546 31.545 -99.200 -91.000 HIS 80 0.900 -2.249 15.231 51.969 -99.200 -91.000 TYR 82 0.840 -4.482 9.983 54.055 -99.200 -91.000 TRP 83 1.040 -4.544 13.891 43.837 -99.200 -91.000 TRP6 83 1.020 -6.536 15.086 43.679 -99.200 -91.000 TYR 91 0.840 -7.136 14.041 52.262 -99.200 -91.000 TYR 107 0.840 7.775 43.997 38.909 -99.200 -91.000 TYR 127 0.840 -10.129 41.405 45.273 -99.200 -91.000 TRP 131 1.040 -1.731 34.768 33.617 -99.200 -91.000 TRP6 131 1.020 -0.378 34.268 35.441 -99.200 -91.000 TYR 148 0.840 -15.307 41.245 46.913 -99.200 -91.000 TYR 154 0.840 -18.802 21.916 56.032 -99.200 -91.000 TYR 160 0.840 -25.314 28.049 48.347 -99.200 -91.000 TRP 161 1.040 -20.087 23.290 45.408 -99.200 -91.000 TRP6 161 1.020 -19.730 21.891 43.549 -99.200 -91.000 HIS 190 0.900 -3.766 36.204 46.169 -99.200 -91.000 TYR 197 0.840 -5.940 41.406 49.957 -99.200 -91.000 HIS 200 0.900 -7.285 32.475 54.950 -99.200 -91.000 PHE 205 1.000 -14.810 20.556 43.894 -99.200 -91.000 PHE 220 1.000 -11.124 29.041 45.874 -99.200 -91.000 TYR 226 0.840 -4.826 19.930 53.282 -99.200 -91.000 TRP 229 1.040 1.549 16.902 53.661 -99.200 -91.000 TRP6 229 1.020 1.582 18.144 51.615 -99.200 -91.000