============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 7 1.040 -18.699 -4.652 7.789 -99.200 -91.000 TRP6 7 1.020 -16.577 -3.873 8.558 -99.200 -91.000 TRP 14 1.040 -13.864 -1.611 19.092 -99.200 -91.000 TRP6 14 1.020 -11.586 -1.827 18.529 -99.200 -91.000 HIS 24 0.900 -8.603 -5.429 25.397 -99.200 -91.000 PHE 33 1.000 5.945 1.385 20.985 -99.200 -91.000 HIS 36 0.900 7.533 -6.235 14.279 -99.200 -91.000 PHE 43 1.000 4.658 5.853 18.459 -99.200 -91.000 PHE 46 1.000 4.588 6.457 23.742 -99.200 -91.000 HIS 48 0.900 10.459 7.646 28.112 -99.200 -91.000 HIS 64 0.900 -0.380 7.424 20.636 -99.200 -91.000 HIS 81 0.900 -20.820 2.212 3.492 -99.200 -91.000 HIS 82 0.900 -12.821 2.349 6.193 -99.200 -91.000 HIS 93 0.900 -1.033 7.698 11.712 -99.200 -91.000 HIS 97 0.900 1.977 11.231 13.234 -99.200 -91.000 TYR 103 0.840 7.705 0.866 10.900 -99.200 -91.000 PHE 106 1.000 6.512 -4.798 11.181 -99.200 -91.000 HIS 113 0.900 0.556 -12.478 20.799 -99.200 -91.000 HIS 116 0.900 -6.310 -15.865 18.829 -99.200 -91.000 HIS 119 0.900 -10.553 -10.609 25.273 -99.200 -91.000 PHE 123 1.000 -9.874 -12.903 17.944 -99.200 -91.000 PHE 138 1.000 -6.577 1.166 10.119 -99.200 -91.000 TYR 146 0.840 0.689 5.378 4.198 -99.200 -91.000 PHE 151 1.000 5.233 7.429 3.981 -99.200 -91.000