============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 14 1.040 31.063 42.373 23.987 -99.200 -91.000 TRP6 14 1.020 30.733 40.056 24.262 -99.200 -91.000 PHE 19 1.000 30.975 59.878 33.132 -99.200 -91.000 TRP 37 1.040 45.848 47.126 22.693 -99.200 -91.000 TRP6 37 1.020 46.195 49.250 21.729 -99.200 -91.000 HIS 43 0.900 30.990 59.000 15.547 -99.200 -91.000 TYR 47 0.840 31.781 65.096 13.284 -99.200 -91.000 TRP 49 1.040 29.462 68.184 15.950 -99.200 -91.000 TRP6 49 1.020 28.928 65.973 16.566 -99.200 -91.000 PHE 53 1.000 36.128 65.515 23.712 -99.200 -91.000 HIS 65 0.900 21.928 45.938 34.103 -99.200 -91.000 TYR 70 0.840 32.046 53.177 42.108 -99.200 -91.000 TYR 84 0.840 47.860 53.950 19.233 -99.200 -91.000 HIS 86 0.900 42.160 53.950 8.889 -99.200 -91.000 TYR 89 0.840 37.041 60.331 11.531 -99.200 -91.000 TRP 91 1.040 37.595 65.139 9.878 -99.200 -91.000 TRP6 91 1.020 36.875 67.265 9.107 -99.200 -91.000 TYR 113 0.840 29.085 40.537 37.225 -99.200 -91.000 HIS 115 0.900 35.875 36.506 29.041 -99.200 -91.000 HIS 129 0.900 26.550 35.440 3.243 -99.200 -91.000 PHE 132 1.000 22.666 34.170 7.617 -99.200 -91.000 TRP 139 1.040 24.473 51.973 29.655 -99.200 -91.000 TRP6 139 1.020 26.636 51.037 29.591 -99.200 -91.000 TRP 146 1.040 17.267 65.687 25.660 -99.200 -91.000 TRP6 146 1.020 19.109 64.213 25.848 -99.200 -91.000 PHE 183 1.000 28.007 45.934 9.444 -99.200 -91.000 TYR 187 0.840 13.686 43.581 12.432 -99.200 -91.000 PHE 206 1.000 25.204 44.102 13.520 -99.200 -91.000 TYR 212 0.840 30.548 28.193 10.738 -99.200 -91.000 TRP 216 1.040 27.945 35.910 22.056 -99.200 -91.000 TRP6 216 1.020 25.962 36.906 21.227 -99.200 -91.000 TYR 217 0.840 34.228 35.241 15.902 -99.200 -91.000 TRP 224 1.040 27.087 56.946 8.710 -99.200 -91.000 TRP6 224 1.020 25.423 57.635 7.176 -99.200 -91.000 TYR 234 0.840 17.247 50.151 5.561 -99.200 -91.000 PHE 236 1.000 23.930 53.584 6.193 -99.200 -91.000 TYR 237 0.840 25.223 49.054 12.990 -99.200 -91.000 HIS 239 0.900 32.908 44.632 6.547 -99.200 -91.000 PHE 241 1.000 37.886 40.018 7.711 -99.200 -91.000 TRP 246 1.040 44.875 51.628 11.395 -99.200 -91.000 TRP6 246 1.020 43.387 52.009 13.199 -99.200 -91.000