============================================================================= 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 47.681 25.018 -2.189 -99.200 -91.000 TRP6 7 1.020 47.667 22.847 -1.260 -99.200 -91.000 HIS 12 0.900 39.318 29.689 8.298 -99.200 -91.000 TRP 14 1.040 45.777 20.522 9.537 -99.200 -91.000 TRP6 14 1.020 44.581 18.623 8.782 -99.200 -91.000 HIS 24 0.900 39.147 18.212 14.673 -99.200 -91.000 PHE 33 1.000 41.417 1.784 12.674 -99.200 -91.000 HIS 36 0.900 36.160 2.350 4.397 -99.200 -91.000 PHE 43 1.000 46.646 1.498 11.555 -99.200 -91.000 PHE 46 1.000 46.841 2.078 17.059 -99.200 -91.000 HIS 48 0.900 43.831 -3.240 21.464 -99.200 -91.000 HIS 80 0.900 55.201 24.661 -4.291 -99.200 -91.000 HIS 81 0.900 52.413 17.268 -1.635 -99.200 -91.000 HIS 92 0.900 52.089 5.260 5.839 -99.200 -91.000 HIS 96 0.900 53.828 1.342 8.714 -99.200 -91.000 TYR 102 0.840 43.309 -1.104 3.001 -99.200 -91.000 PHE 105 1.000 38.625 1.709 1.636 -99.200 -91.000 HIS 112 0.900 31.018 11.165 8.530 -99.200 -91.000 HIS 115 0.900 28.604 17.533 7.324 -99.200 -91.000 HIS 118 0.900 35.541 21.859 12.763 -99.200 -91.000 PHE 122 1.000 35.043 20.605 5.402 -99.200 -91.000 PHE 137 1.000 48.492 12.086 1.794 -99.200 -91.000 TYR 145 0.840 52.125 3.479 -1.916 -99.200 -91.000 TYR 150 0.840 52.724 -1.232 -1.710 -99.200 -91.000