============================================================================= 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 -18.371 -2.121 7.648 -99.200 -91.000 TRP6 7 1.020 -16.404 -1.074 8.375 -99.200 -91.000 HIS 12 0.900 -20.347 -8.299 20.067 -99.200 -91.000 TRP 14 1.040 -13.714 0.643 18.863 -99.200 -91.000 TRP6 14 1.020 -11.375 0.291 18.501 -99.200 -91.000 HIS 24 0.900 -8.951 -2.761 25.424 -99.200 -91.000 PHE 33 1.000 5.871 3.742 21.490 -99.200 -91.000 HIS 36 0.900 7.323 -3.614 14.219 -99.200 -91.000 PHE 43 1.000 4.549 8.532 19.015 -99.200 -91.000 PHE 46 1.000 4.407 9.332 24.399 -99.200 -91.000 HIS 48 0.900 10.601 10.305 28.494 -99.200 -91.000 HIS 64 0.900 -0.552 10.167 21.164 -99.200 -91.000 HIS 81 0.900 -20.469 5.133 3.973 -99.200 -91.000 HIS 82 0.900 -12.729 5.564 6.164 -99.200 -91.000 HIS 93 0.900 -0.826 10.862 12.298 -99.200 -91.000 HIS 97 0.900 2.269 14.456 14.049 -99.200 -91.000 TYR 103 0.840 7.811 3.908 11.165 -99.200 -91.000 PHE 106 1.000 6.532 -1.878 11.096 -99.200 -91.000 HIS 113 0.900 0.067 -9.933 20.526 -99.200 -91.000 HIS 116 0.900 -5.528 -14.255 20.144 -99.200 -91.000 HIS 119 0.900 -11.809 -7.228 24.577 -99.200 -91.000 PHE 123 1.000 -9.762 -9.735 17.186 -99.200 -91.000 PHE 138 1.000 -6.293 4.120 9.906 -99.200 -91.000 TYR 146 0.840 0.962 9.173 4.612 -99.200 -91.000 TYR 151 0.840 4.780 14.250 2.653 -99.200 -91.000