============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 27 1.000 17.768 58.333 13.880 -99.200 -91.000 TYR 32 0.840 16.826 56.642 9.461 -99.200 -91.000 TYR 33 0.840 14.961 47.526 7.757 -99.200 -91.000 HIS 35 0.900 20.926 47.014 10.155 -99.200 -91.000 TRP 36 1.040 20.774 46.559 18.541 -99.200 -91.000 TRP6 36 1.020 21.560 47.735 20.439 -99.200 -91.000 TRP 47 1.040 23.822 42.634 10.813 -99.200 -91.000 TRP6 47 1.020 22.377 41.004 9.887 -99.200 -91.000 TRP 50 1.040 17.183 43.431 9.519 -99.200 -91.000 TRP6 50 1.020 14.836 43.657 9.326 -99.200 -91.000 TYR 60 0.840 16.483 38.489 16.983 -99.200 -91.000 PHE 64 1.000 25.167 37.029 18.090 -99.200 -91.000 TYR 80 0.840 14.714 50.141 25.237 -99.200 -91.000 TYR 93 0.840 27.234 43.069 22.917 -99.200 -91.000 TYR 94 0.840 30.653 49.838 18.304 -99.200 -91.000 HIS 99 0.900 17.752 56.738 4.831 -99.200 -91.000 TYR 101 0.840 15.868 54.512 1.163 -99.200 -91.000 PHE 106 1.000 25.201 48.656 9.219 -99.200 -91.000 TYR 108 0.840 22.792 58.795 9.844 -99.200 -91.000 TRP 109 1.040 28.484 52.851 12.293 -99.200 -91.000 TRP6 109 1.020 29.122 50.619 12.823 -99.200 -91.000 TYR 128 0.840 52.227 41.486 44.978 -99.200 -91.000 TYR 151 0.840 43.228 45.068 37.788 -99.200 -91.000 PHE 152 1.000 35.368 41.333 37.243 -99.200 -91.000 TRP 160 1.040 55.238 54.828 37.506 -99.200 -91.000 TRP6 160 1.020 56.384 53.330 38.952 -99.200 -91.000 HIS 170 0.900 57.240 52.415 27.787 -99.200 -91.000 PHE 172 1.000 54.270 47.136 29.217 -99.200 -91.000 TYR 181 0.840 40.288 42.032 33.844 -99.200 -91.000 TRP 194 1.040 64.865 54.375 43.152 -99.200 -91.000 TRP6 194 1.020 66.055 52.356 42.912 -99.200 -91.000 HIS 205 0.900 39.743 47.750 41.294 -99.200 -91.000