============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 7 1.040 -18.499 -2.164 7.696 -99.200 -91.000 TRP6 7 1.020 -16.513 -1.118 8.403 -99.200 -91.000 HIS 12 0.900 -20.576 -8.324 20.121 -99.200 -91.000 TRP 14 1.040 -13.771 0.643 18.881 -99.200 -91.000 TRP6 14 1.020 -11.432 0.273 18.519 -99.200 -91.000 HIS 24 0.900 -9.036 -2.743 25.442 -99.200 -91.000 PHE 33 1.000 5.938 3.734 21.500 -99.200 -91.000 HIS 36 0.900 7.492 -3.609 14.217 -99.200 -91.000 PHE 43 1.000 4.731 8.599 19.115 -99.200 -91.000 PHE 46 1.000 4.617 9.370 24.399 -99.200 -91.000 HIS 48 0.900 10.757 10.404 28.597 -99.200 -91.000 HIS 64 0.900 -0.222 9.499 20.879 -99.200 -91.000 HIS 81 0.900 -20.936 5.686 3.601 -99.200 -91.000 HIS 82 0.900 -12.810 5.502 6.153 -99.200 -91.000 HIS 93 0.900 -1.007 10.913 12.090 -99.200 -91.000 HIS 97 0.900 1.945 14.522 14.007 -99.200 -91.000 TYR 103 0.840 7.760 3.941 11.293 -99.200 -91.000 PHE 106 1.000 6.590 -1.903 11.157 -99.200 -91.000 HIS 113 0.900 0.043 -10.162 20.497 -99.200 -91.000 HIS 116 0.900 -5.919 -14.369 20.216 -99.200 -91.000 HIS 119 0.900 -11.764 -7.397 24.677 -99.200 -91.000 PHE 123 1.000 -9.830 -9.846 17.199 -99.200 -91.000 PHE 138 1.000 -6.318 4.181 9.906 -99.200 -91.000 TYR 146 0.840 0.858 9.162 4.564 -99.200 -91.000 TYR 151 0.840 4.696 14.438 2.562 -99.200 -91.000