============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 5 0.840 6.740 13.785 13.709 -99.200 -91.000 HIS 9 0.900 17.818 28.162 15.104 -99.200 -91.000 PHE 20 1.000 0.629 27.173 5.657 -99.200 -91.000 PHE 54 1.000 11.885 14.781 8.738 -99.200 -91.000 TYR 55 0.840 11.210 23.602 7.553 -99.200 -91.000 PHE 62 1.000 13.329 15.402 3.161 -99.200 -91.000 TRP 95 1.040 13.494 13.946 -1.412 -99.200 -91.000 TRP6 95 1.020 15.196 15.359 -2.182 -99.200 -91.000 TYR 107 0.840 40.179 36.673 4.637 -99.200 -91.000 HIS 109 0.900 39.582 43.190 7.053 -99.200 -91.000 TYR 124 0.840 42.627 27.246 3.129 -99.200 -91.000 TRP 129 1.040 47.406 27.591 4.967 -99.200 -91.000 TRP6 129 1.020 46.412 29.677 5.471 -99.200 -91.000 TYR 135 0.840 41.269 20.809 13.174 -99.200 -91.000 PHE 142 1.000 36.586 18.110 10.261 -99.200 -91.000 TRP 161 1.040 41.671 18.674 4.268 -99.200 -91.000 TRP6 161 1.020 39.666 18.614 5.594 -99.200 -91.000 TYR 172 0.840 40.111 27.424 17.714 -99.200 -91.000 TYR 195 0.840 25.100 28.045 10.073 -99.200 -91.000 TYR 196 0.840 28.281 28.672 13.258 -99.200 -91.000 TRP 197 1.040 32.132 37.136 8.937 -99.200 -91.000 TRP6 197 1.020 31.128 38.504 7.295 -99.200 -91.000 TYR 198 0.840 27.050 35.922 5.046 -99.200 -91.000 TYR 214 0.840 39.169 32.149 -0.612 -99.200 -91.000 PHE 215 1.000 31.380 32.200 0.681 -99.200 -91.000 HIS 218 0.900 37.078 28.913 -8.980 -99.200 -91.000 TYR 227 0.840 21.960 21.820 -1.725 -99.200 -91.000 PHE 245 1.000 4.622 24.424 6.448 -99.200 -91.000 PHE 248 1.000 4.311 30.472 3.407 -99.200 -91.000 TYR 265 0.840 24.501 30.939 0.780 -99.200 -91.000 PHE 275 1.000 20.549 36.897 8.331 -99.200 -91.000 TYR 280 0.840 22.817 26.799 -5.211 -99.200 -91.000 HIS 298 0.900 34.838 5.323 4.737 -99.200 -91.000