============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 13.604 18.230 15.900 -99.200 -91.000 TRP6 14 1.020 12.149 19.213 17.481 -99.200 -91.000 TRP 35 1.040 17.760 28.849 4.686 -99.200 -91.000 TRP6 35 1.020 19.580 28.783 3.181 -99.200 -91.000 HIS 41 0.900 29.879 12.492 7.037 -99.200 -91.000 PHE 43 1.000 25.126 17.037 1.025 -99.200 -91.000 TRP 49 1.040 26.859 18.225 -6.994 -99.200 -91.000 TRP6 49 1.020 27.020 18.409 -4.651 -99.200 -91.000 HIS 59 0.900 7.216 6.601 12.478 -99.200 -91.000 HIS 64 0.900 5.977 6.907 0.236 -99.200 -91.000 TYR 82 0.840 34.173 18.185 4.333 -99.200 -91.000 HIS 89 0.900 36.253 23.764 9.961 -99.200 -91.000 HIS 97 0.900 12.597 25.341 -6.780 -99.200 -91.000 HIS 105 0.900 2.033 14.189 12.182 -99.200 -91.000 PHE 116 1.000 20.089 29.120 25.269 -99.200 -91.000 PHE 123 1.000 29.029 24.091 30.495 -99.200 -91.000 PHE 126 1.000 21.508 11.409 29.900 -99.200 -91.000 TRP 132 1.040 14.134 6.820 9.041 -99.200 -91.000 TRP6 132 1.020 13.986 9.170 8.911 -99.200 -91.000 TYR 173 0.840 36.251 24.880 14.228 -99.200 -91.000 PHE 175 1.000 28.543 17.961 20.732 -99.200 -91.000 TYR 179 0.840 24.898 6.176 27.070 -99.200 -91.000 HIS 195 0.900 23.861 16.460 20.874 -99.200 -91.000 HIS 198 0.900 12.756 19.701 26.365 -99.200 -91.000 TYR 199 0.840 18.035 26.113 29.441 -99.200 -91.000 TRP 203 1.040 12.661 19.485 22.455 -99.200 -91.000 TRP6 203 1.020 13.991 17.669 23.183 -99.200 -91.000 TYR 204 0.840 16.876 26.432 22.342 -99.200 -91.000 TRP 211 1.040 34.312 12.380 13.649 -99.200 -91.000 TRP6 211 1.020 36.008 11.331 14.920 -99.200 -91.000 HIS 220 0.900 37.239 3.926 20.409 -99.200 -91.000 PHE 221 1.000 32.669 8.365 25.756 -99.200 -91.000 TYR 224 0.840 26.877 13.067 18.377 -99.200 -91.000 TYR 230 0.840 31.077 25.017 11.991 -99.200 -91.000 TRP 233 1.040 30.090 29.409 7.293 -99.200 -91.000 TRP6 233 1.020 28.887 27.470 6.694 -99.200 -91.000 PHE 252 1.000 34.129 28.513 10.296 -99.200 -91.000