============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 9 1.000 48.458 56.657 120.524 -99.200 -91.000 PHE 19 1.000 44.007 57.093 118.298 -99.200 -91.000 TYR 21 0.840 38.257 49.146 112.946 -99.200 -91.000 HIS 27 0.900 44.350 61.421 111.332 -99.200 -91.000 HIS 29 0.900 47.507 61.364 105.826 -99.200 -91.000 PHE 31 1.000 49.020 54.689 111.448 -99.200 -91.000 TRP 38 1.040 50.970 45.679 122.901 -99.200 -91.000 TRP6 38 1.020 52.614 45.808 124.604 -99.200 -91.000 HIS 39 0.900 46.681 41.651 128.205 -99.200 -91.000 TRP 40 1.040 53.694 45.506 129.666 -99.200 -91.000 TRP6 40 1.020 55.386 44.456 128.408 -99.200 -91.000 HIS 45 0.900 45.602 51.823 132.189 -99.200 -91.000 TYR 52 0.840 54.363 57.791 114.677 -99.200 -91.000 HIS 53 0.900 56.549 55.788 106.866 -99.200 -91.000 PHE 61 1.000 49.465 59.826 115.339 -99.200 -91.000 HIS 73 0.900 50.379 61.198 123.903 -99.200 -91.000 PHE 77 1.000 63.589 57.259 119.450 -99.200 -91.000 HIS 81 0.900 67.100 42.259 114.926 -99.200 -91.000