============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 9 1.000 23.703 19.945 4.740 -99.200 -91.000 HIS 30 0.900 49.959 29.989 23.752 -99.200 -91.000 TYR 36 0.840 45.829 26.111 23.250 -99.200 -91.000 TYR 38 0.840 40.423 22.716 22.223 -99.200 -91.000 TRP 39 1.040 38.070 18.756 14.825 -99.200 -91.000 TRP6 39 1.020 36.736 19.491 13.015 -99.200 -91.000 TYR 40 0.840 33.893 21.706 21.282 -99.200 -91.000 TYR 53 0.840 42.610 16.806 24.313 -99.200 -91.000 PHE 66 1.000 34.343 10.293 15.962 -99.200 -91.000 PHE 75 1.000 43.069 24.132 11.833 -99.200 -91.000 TYR 90 0.840 30.963 15.051 13.290 -99.200 -91.000 TYR 91 0.840 28.050 23.213 15.563 -99.200 -91.000 HIS 98 0.900 39.432 34.955 26.156 -99.200 -91.000 PHE 102 1.000 32.294 26.902 19.544 -99.200 -91.000 PHE 122 1.000 -2.670 16.330 0.069 -99.200 -91.000 PHE 139 1.000 1.971 16.906 3.177 -99.200 -91.000 PHE 143 1.000 13.075 15.584 -1.009 -99.200 -91.000 TYR 144 0.840 20.652 10.401 -1.297 -99.200 -91.000 TRP 152 1.040 3.425 26.150 -4.276 -99.200 -91.000 TRP6 152 1.020 1.491 24.800 -4.155 -99.200 -91.000 TRP 167 1.040 13.232 22.025 2.537 -99.200 -91.000 TRP6 167 1.020 13.080 24.367 2.779 -99.200 -91.000 TYR 177 0.840 18.165 14.399 3.168 -99.200 -91.000 TYR 190 0.840 -8.991 27.851 -3.623 -99.200 -91.000 HIS 193 0.900 -6.090 33.632 -10.323 -99.200 -91.000 TYR 196 0.840 -4.996 27.676 -7.000 -99.200 -91.000 HIS 202 0.900 15.174 14.718 -6.399 -99.200 -91.000 PHE 213 1.000 -6.179 22.263 -6.179 -99.200 -91.000