============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 2 1.000 82.565 4.056 71.094 -99.200 -91.000 HIS 18 0.900 94.201 22.120 52.494 -99.200 -91.000 TRP 27 1.040 84.932 14.580 58.328 -99.200 -91.000 TRP6 27 1.020 86.842 14.503 56.931 -99.200 -91.000 PHE 28 1.000 89.350 14.871 65.583 -99.200 -91.000 HIS 33 0.900 75.679 8.257 66.179 -99.200 -91.000 PHE 36 1.000 77.945 13.492 70.867 -99.200 -91.000 PHE 39 1.000 77.722 11.163 78.891 -99.200 -91.000 PHE 45 1.000 69.615 17.061 68.850 -99.200 -91.000 TRP 48 1.040 73.071 16.747 73.590 -99.200 -91.000 TRP6 48 1.020 73.086 15.052 71.949 -99.200 -91.000 TYR 57 0.840 93.652 21.022 61.895 -99.200 -91.000 TYR 61 0.840 95.520 15.581 49.657 -99.200 -91.000 TYR 62 0.840 85.555 14.349 46.540 -99.200 -91.000 TYR 69 0.840 91.102 4.206 63.838 -99.200 -91.000 TYR 83 0.840 94.485 10.582 71.337 -99.200 -91.000 HIS 87 0.900 94.865 6.625 62.086 -99.200 -91.000 TYR 100 0.840 81.675 16.904 73.972 -99.200 -91.000 PHE 103 1.000 74.631 22.756 81.225 -99.200 -91.000 PHE 105 1.000 71.684 21.412 77.726 -99.200 -91.000 HIS 124 0.900 83.059 1.672 74.385 -99.200 -91.000 TRP 126 1.040 91.724 6.341 73.374 -99.200 -91.000 TRP6 126 1.020 92.252 5.269 71.321 -99.200 -91.000