============================================================================= 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 8 1.000 36.293 57.337 141.925 -99.200 -91.000 TYR 16 0.840 38.193 62.868 139.932 -99.200 -91.000 TYR 19 0.840 41.586 65.526 134.870 -99.200 -91.000 HIS 42 0.900 43.102 48.134 136.307 -99.200 -91.000 TYR 46 0.840 44.134 50.783 132.037 -99.200 -91.000 HIS 50 0.900 31.267 56.225 129.109 -99.200 -91.000 PHE 53 1.000 41.163 60.848 134.848 -99.200 -91.000 TYR 59 0.840 48.168 52.194 143.629 -99.200 -91.000 PHE 74 1.000 38.549 59.319 154.219 -99.200 -91.000 TRP 84 1.040 31.213 63.409 154.721 -99.200 -91.000 TRP6 84 1.020 33.005 62.494 153.431 -99.200 -91.000 PHE 91 1.000 28.350 72.577 147.857 -99.200 -91.000 PHE 99 1.000 24.405 54.876 152.640 -99.200 -91.000 HIS 108 0.900 27.024 61.157 152.863 -99.200 -91.000 HIS 142 0.900 15.111 73.643 147.893 -99.200 -91.000 HIS 163 0.900 0.788 70.176 130.240 -99.200 -91.000 PHE 166 1.000 2.164 70.148 120.058 -99.200 -91.000 HIS 177 0.900 18.494 51.893 131.411 -99.200 -91.000 TYR 179 0.840 24.773 44.765 129.969 -99.200 -91.000 HIS 190 0.900 17.497 42.649 141.549 -99.200 -91.000 TYR 273 0.840 15.340 68.321 115.520 -99.200 -91.000 PHE 288 1.000 23.229 67.550 123.158 -99.200 -91.000 PHE 292 1.000 11.980 65.379 118.937 -99.200 -91.000 TRP 310 1.040 18.502 57.760 119.632 -99.200 -91.000 TRP6 310 1.020 18.881 55.420 119.687 -99.200 -91.000 TYR 311 0.840 18.070 57.609 128.348 -99.200 -91.000 TYR 315 0.840 30.484 61.939 129.431 -99.200 -91.000 TYR 317 0.840 21.637 60.943 136.756 -99.200 -91.000