============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 3 0.840 106.255 21.469 13.710 -99.200 -91.000 PHE 29 1.000 103.184 34.274 27.630 -99.200 -91.000 HIS 31 0.900 101.214 30.178 16.874 -99.200 -91.000 PHE 35 1.000 97.561 21.126 14.116 -99.200 -91.000 PHE 41 1.000 97.174 11.020 14.210 -99.200 -91.000 HIS 50 0.900 110.517 6.157 13.843 -99.200 -91.000 HIS 56 0.900 103.810 0.994 23.075 -99.200 -91.000 TRP 60 1.040 103.959 5.402 31.252 -99.200 -91.000 TRP6 60 1.020 104.886 7.570 31.185 -99.200 -91.000 PHE 61 1.000 101.290 11.099 29.030 -99.200 -91.000 TYR 70 0.840 103.249 0.534 28.635 -99.200 -91.000 HIS 72 0.900 113.425 2.095 30.168 -99.200 -91.000 TRP 79 1.040 108.167 10.876 29.419 -99.200 -91.000 TRP6 79 1.020 108.328 12.982 30.458 -99.200 -91.000 TRP 82 1.040 114.037 15.336 32.009 -99.200 -91.000 TRP6 82 1.020 113.879 14.567 29.788 -99.200 -91.000 TYR 93 0.840 102.656 15.536 31.300 -99.200 -91.000 TRP 97 1.040 96.314 13.504 31.955 -99.200 -91.000 TRP6 97 1.020 96.392 12.549 29.807 -99.200 -91.000 TRP 100 1.040 93.549 17.205 41.755 -99.200 -91.000 TRP6 100 1.020 94.560 18.843 40.403 -99.200 -91.000 HIS 107 0.900 94.059 9.833 45.588 -99.200 -91.000 TRP 132 1.040 100.224 24.327 37.452 -99.200 -91.000 TRP6 132 1.020 102.287 24.258 36.320 -99.200 -91.000 HIS 146 0.900 101.167 16.588 27.915 -99.200 -91.000 PHE 148 1.000 92.740 24.212 32.509 -99.200 -91.000 PHE 149 1.000 93.638 16.976 28.528 -99.200 -91.000 PHE 151 1.000 88.671 16.140 25.807 -99.200 -91.000 TYR 152 0.840 82.454 23.886 21.582 -99.200 -91.000 TYR 163 0.840 98.230 28.094 28.460 -99.200 -91.000 PHE 170 1.000 113.814 19.419 15.178 -99.200 -91.000 PHE 175 1.000 107.474 12.054 20.191 -99.200 -91.000 TYR 180 0.840 96.955 16.641 24.867 -99.200 -91.000 HIS 185 0.900 90.915 10.339 14.993 -99.200 -91.000 PHE 198 1.000 95.535 19.431 19.965 -99.200 -91.000 TRP 200 1.040 99.898 23.186 20.890 -99.200 -91.000 TRP6 200 1.020 101.283 25.088 20.780 -99.200 -91.000 HIS 206 0.900 110.627 26.456 24.827 -99.200 -91.000 TYR 208 0.840 115.234 23.802 24.527 -99.200 -91.000 HIS 211 0.900 116.055 21.222 19.563 -99.200 -91.000 HIS 216 0.900 116.529 28.561 10.133 -99.200 -91.000 PHE 239 1.000 90.296 4.963 31.918 -99.200 -91.000 TYR 241 0.840 90.721 2.773 22.492 -99.200 -91.000 PHE 243 1.000 102.134 -0.035 18.817 -99.200 -91.000 PHE 246 1.000 95.205 3.423 19.067 -99.200 -91.000 TYR 251 0.840 104.457 9.690 8.951 -99.200 -91.000 HIS 254 0.900 109.949 15.959 2.578 -99.200 -91.000