============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 5 0.900 30.374 21.093 26.585 -99.200 -91.000 TRP 11 1.040 19.684 6.796 26.311 -99.200 -91.000 TRP6 11 1.020 18.359 8.134 27.741 -99.200 -91.000 PHE 27 1.000 11.410 5.414 6.408 -99.200 -91.000 TYR 40 0.840 29.285 18.324 22.051 -99.200 -91.000 TYR 70 0.840 18.296 13.771 21.939 -99.200 -91.000 TYR 76 0.840 -1.765 17.903 11.286 -99.200 -91.000 TYR 79 0.840 -0.467 12.455 4.383 -99.200 -91.000 TYR 80 0.840 4.413 6.493 11.742 -99.200 -91.000 TYR 84 0.840 14.447 10.581 12.244 -99.200 -91.000 TRP 86 1.040 20.758 15.909 14.433 -99.200 -91.000 TRP6 86 1.020 19.209 16.160 12.669 -99.200 -91.000 TYR 87 0.840 21.992 20.760 23.555 -99.200 -91.000 HIS 99 0.900 20.664 30.472 20.469 -99.200 -91.000 HIS 101 0.900 21.274 25.413 26.586 -99.200 -91.000 TRP 103 1.040 16.906 21.569 22.251 -99.200 -91.000 TRP6 103 1.020 17.084 19.212 22.093 -99.200 -91.000 TRP 109 1.040 5.724 15.568 7.133 -99.200 -91.000 TRP6 109 1.020 3.973 15.643 8.725 -99.200 -91.000 HIS 126 0.900 16.780 31.320 10.631 -99.200 -91.000 TYR 129 0.840 9.099 22.521 11.138 -99.200 -91.000 PHE 133 1.000 2.969 17.381 -1.136 -99.200 -91.000 TYR 139 0.840 16.463 18.657 -1.560 -99.200 -91.000 TYR 149 0.840 23.622 23.305 13.207 -99.200 -91.000 TRP 153 1.040 26.945 38.913 6.866 -99.200 -91.000 TRP6 153 1.020 25.532 40.224 5.490 -99.200 -91.000 HIS 157 0.900 24.972 27.246 12.933 -99.200 -91.000 PHE 161 1.000 14.134 19.905 3.023 -99.200 -91.000 TRP 174 1.040 8.616 11.490 24.149 -99.200 -91.000 TRP6 174 1.020 9.361 13.346 25.405 -99.200 -91.000 PHE 190 1.000 17.414 22.195 26.977 -99.200 -91.000 PHE 197 1.000 12.840 15.595 21.372 -99.200 -91.000 PHE 201 1.000 5.787 14.507 17.937 -99.200 -91.000 PHE 209 1.000 -0.153 17.964 6.336 -99.200 -91.000 PHE 210 1.000 2.571 16.428 3.383 -99.200 -91.000