============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 4 0.840 62.044 11.646 140.156 -99.200 -91.000 PHE 5 1.000 65.551 10.215 143.662 -99.200 -91.000 TYR 8 0.840 58.470 17.641 142.801 -99.200 -91.000 HIS 12 0.900 65.409 12.994 151.982 -99.200 -91.000 PHE 13 1.000 61.260 12.574 145.519 -99.200 -91.000 HIS 14 0.900 67.829 6.138 150.867 -99.200 -91.000 HIS 26 0.900 61.023 18.078 153.730 -99.200 -91.000 PHE 34 1.000 47.982 19.778 150.799 -99.200 -91.000 HIS 39 0.900 45.326 20.950 145.643 -99.200 -91.000 PHE 42 1.000 52.969 17.042 148.359 -99.200 -91.000 PHE 46 1.000 51.929 12.084 145.123 -99.200 -91.000 TYR 47 0.840 53.020 12.083 134.275 -99.200 -91.000 TRP 67 1.040 50.856 10.219 156.014 -99.200 -91.000 TRP6 67 1.020 49.129 11.240 154.759 -99.200 -91.000 PHE 73 1.000 42.616 25.901 157.066 -99.200 -91.000 TRP 85 1.040 37.051 24.557 143.598 -99.200 -91.000 TRP6 85 1.020 37.839 23.912 145.735 -99.200 -91.000 TYR 89 0.840 37.322 20.484 138.247 -99.200 -91.000 TRP 90 1.040 43.968 20.582 135.206 -99.200 -91.000 TRP6 90 1.020 46.273 20.195 135.622 -99.200 -91.000 HIS 117 0.900 44.620 17.089 150.903 -99.200 -91.000 TYR 120 0.840 47.850 13.278 148.917 -99.200 -91.000 PHE 135 1.000 44.413 6.173 159.434 -99.200 -91.000 HIS 140 0.900 37.377 17.927 152.856 -99.200 -91.000 HIS 152 0.900 34.097 12.350 146.480 -99.200 -91.000 TRP 155 1.040 38.586 8.243 154.622 -99.200 -91.000 TRP6 155 1.020 39.476 6.692 156.188 -99.200 -91.000 TYR 162 0.840 25.094 0.863 153.971 -99.200 -91.000 TYR 166 0.840 28.772 7.341 162.998 -99.200 -91.000 PHE 167 1.000 36.471 8.587 158.705 -99.200 -91.000 PHE 169 1.000 26.549 13.276 155.473 -99.200 -91.000 TYR 180 0.840 45.163 -5.164 163.092 -99.200 -91.000 HIS 186 0.900 46.239 -3.148 154.975 -99.200 -91.000 TRP 199 1.040 63.014 1.708 153.974 -99.200 -91.000 TRP6 199 1.020 64.247 1.680 151.951 -99.200 -91.000 TYR 215 0.840 52.784 -5.581 132.917 -99.200 -91.000 TYR 234 0.840 28.090 15.241 140.693 -99.200 -91.000