============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 13 0.840 33.683 30.196 21.922 -99.200 -91.000 HIS 20 0.900 36.398 11.809 19.857 -99.200 -91.000 TYR 29 0.840 33.959 17.808 14.936 -99.200 -91.000 TYR 32 0.840 27.879 30.769 20.915 -99.200 -91.000 HIS 43 0.900 17.572 31.415 10.887 -99.200 -91.000 PHE 46 1.000 25.518 27.405 4.820 -99.200 -91.000 TYR 48 0.840 26.495 22.631 8.907 -99.200 -91.000 TYR 58 0.840 41.527 30.973 17.823 -99.200 -91.000 TRP 68 1.040 46.978 36.531 5.679 -99.200 -91.000 TRP6 68 1.020 46.369 37.594 7.704 -99.200 -91.000 TYR 77 0.840 47.009 31.176 1.357 -99.200 -91.000 PHE 99 1.000 36.627 38.700 10.774 -99.200 -91.000 PHE 103 1.000 30.157 34.511 16.706 -99.200 -91.000 TYR 132 0.840 53.496 39.496 32.103 -99.200 -91.000 PHE 143 1.000 45.606 45.134 23.303 -99.200 -91.000 PHE 144 1.000 49.172 42.296 25.895 -99.200 -91.000 PHE 152 1.000 47.174 47.562 27.826 -99.200 -91.000 TRP 156 1.040 55.722 43.216 21.738 -99.200 -91.000 TRP6 156 1.020 55.126 40.999 21.163 -99.200 -91.000 TYR 158 0.840 57.990 38.803 30.932 -99.200 -91.000 PHE 167 1.000 54.756 35.052 23.257 -99.200 -91.000 TYR 185 0.840 52.017 31.343 31.882 -99.200 -91.000 TYR 187 0.840 46.739 31.900 28.151 -99.200 -91.000 TYR 196 0.840 33.851 26.227 29.287 -99.200 -91.000 TYR 217 0.840 35.280 35.558 20.149 -99.200 -91.000 TRP 251 1.040 26.720 25.374 23.881 -99.200 -91.000 TRP6 251 1.020 27.249 23.078 24.137 -99.200 -91.000 TRP 252 1.040 30.859 31.081 28.349 -99.200 -91.000 TRP6 252 1.020 30.625 30.668 26.033 -99.200 -91.000 TYR 253 0.840 27.308 32.558 32.343 -99.200 -91.000