============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 21 0.900 11.984 27.034 53.802 -99.200 -91.000 PHE 23 1.000 9.027 31.045 44.663 -99.200 -91.000 PHE 34 1.000 6.890 43.639 15.446 -99.200 -91.000 PHE 52 1.000 11.940 34.227 47.370 -99.200 -91.000 TYR 54 0.840 8.370 39.589 43.313 -99.200 -91.000 PHE 61 1.000 7.938 36.445 38.052 -99.200 -91.000 PHE 65 1.000 6.731 40.958 25.128 -99.200 -91.000 TYR 68 0.840 16.873 40.959 18.323 -99.200 -91.000 TYR 75 0.840 17.012 31.057 18.132 -99.200 -91.000 PHE 76 1.000 15.722 35.518 21.561 -99.200 -91.000 PHE 80 1.000 6.746 32.950 20.167 -99.200 -91.000 TYR 84 0.840 12.117 32.235 23.288 -99.200 -91.000 TRP 86 1.040 14.006 32.006 28.968 -99.200 -91.000 TRP6 86 1.020 14.500 31.989 31.292 -99.200 -91.000 TYR 92 0.840 21.905 36.025 42.711 -99.200 -91.000 TYR 111 0.840 4.514 36.447 22.759 -99.200 -91.000 TYR 113 0.840 6.168 34.619 29.395 -99.200 -91.000 PHE 117 1.000 14.147 31.705 41.045 -99.200 -91.000 PHE 122 1.000 19.951 33.049 46.792 -99.200 -91.000 TRP 136 1.040 17.777 42.360 38.932 -99.200 -91.000 TRP6 136 1.020 19.714 41.045 39.365 -99.200 -91.000 TYR 144 0.840 28.049 33.122 23.868 -99.200 -91.000 HIS 165 0.900 26.287 48.484 42.472 -99.200 -91.000 TYR 166 0.840 23.970 39.129 46.339 -99.200 -91.000 PHE 170 1.000 20.914 37.144 35.553 -99.200 -91.000 TYR 174 0.840 18.137 33.276 25.193 -99.200 -91.000 TYR 185 0.840 30.053 39.848 17.277 -99.200 -91.000 HIS 186 0.900 22.134 39.465 18.876 -99.200 -91.000 PHE 187 1.000 27.771 43.372 22.099 -99.200 -91.000 HIS 190 0.900 18.011 42.312 28.641 -99.200 -91.000 HIS 191 0.900 17.982 50.623 30.691 -99.200 -91.000 HIS 197 0.900 7.246 47.026 46.933 -99.200 -91.000 TYR 201 0.840 8.863 43.716 47.287 -99.200 -91.000 HIS 207 0.900 5.931 49.071 33.894 -99.200 -91.000 HIS 209 0.900 13.843 50.572 28.642 -99.200 -91.000 HIS 213 0.900 24.061 47.446 21.764 -99.200 -91.000