============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 5 0.900 44.695 25.413 105.670 -99.200 -91.000 TYR 27 0.840 38.713 34.016 96.097 -99.200 -91.000 PHE 29 1.000 33.861 31.425 99.377 -99.200 -91.000 PHE 32 1.000 37.350 35.228 91.008 -99.200 -91.000 TRP 33 1.040 32.069 28.585 88.184 -99.200 -91.000 TRP6 33 1.020 30.379 26.973 88.533 -99.200 -91.000 TRP 36 1.040 35.321 20.797 95.759 -99.200 -91.000 TRP6 36 1.020 35.978 20.891 98.026 -99.200 -91.000 HIS 43 0.900 44.775 4.465 91.297 -99.200 -91.000 TRP 47 1.040 37.286 18.961 87.811 -99.200 -91.000 TRP6 47 1.020 35.074 18.843 86.990 -99.200 -91.000 TYR 60 0.840 27.941 17.806 92.421 -99.200 -91.000 PHE 64 1.000 35.084 11.402 91.734 -99.200 -91.000 PHE 70 1.000 31.712 19.432 94.677 -99.200 -91.000 TYR 80 0.840 31.886 23.965 104.641 -99.200 -91.000 TYR 93 0.840 39.334 13.091 98.526 -99.200 -91.000 TYR 94 0.840 46.257 18.416 96.234 -99.200 -91.000 TYR 106 0.840 45.140 32.009 91.955 -99.200 -91.000 TRP 107 1.040 46.113 23.586 91.714 -99.200 -91.000 TRP6 107 1.020 45.245 21.414 91.422 -99.200 -91.000 PHE 126 1.000 60.014 5.865 122.321 -99.200 -91.000 TYR 145 0.840 52.964 7.831 112.395 -99.200 -91.000 PHE 146 1.000 45.671 2.882 111.139 -99.200 -91.000 TRP 154 1.040 63.908 18.494 113.203 -99.200 -91.000 TRP6 154 1.020 64.843 17.257 114.995 -99.200 -91.000 HIS 164 0.900 68.280 14.390 104.254 -99.200 -91.000 PHE 166 1.000 65.351 8.998 106.393 -99.200 -91.000 TYR 176 0.840 51.363 3.839 107.932 -99.200 -91.000 TYR 194 0.840 70.470 21.835 117.068 -99.200 -91.000 HIS 200 0.900 48.390 10.554 114.465 -99.200 -91.000