============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 7 1.000 12.867 34.716 41.085 -99.200 -91.000 PHE 27 1.000 19.777 40.920 47.497 -99.200 -91.000 PHE 32 1.000 17.162 46.598 48.483 -99.200 -91.000 PHE 39 1.000 17.003 24.295 49.188 -99.200 -91.000 HIS 46 0.900 9.017 27.450 37.583 -99.200 -91.000 HIS 50 0.900 14.130 32.952 35.657 -99.200 -91.000 TYR 51 0.840 17.676 31.871 32.960 -99.200 -91.000 PHE 59 1.000 23.688 31.892 26.868 -99.200 -91.000 PHE 60 1.000 16.614 27.962 26.703 -99.200 -91.000 TYR 66 0.840 24.295 26.829 36.553 -99.200 -91.000 TRP 77 1.040 15.578 39.574 48.761 -99.200 -91.000 TRP6 77 1.020 16.024 39.901 51.071 -99.200 -91.000 PHE 107 1.000 30.992 35.630 48.298 -99.200 -91.000 HIS 117 0.900 17.238 36.010 37.347 -99.200 -91.000 TRP 132 1.040 11.007 31.691 39.274 -99.200 -91.000 TRP6 132 1.020 12.451 29.886 39.838 -99.200 -91.000 PHE 133 1.000 8.518 33.205 45.484 -99.200 -91.000 TYR 141 0.840 7.834 40.919 56.861 -99.200 -91.000 HIS 146 0.900 9.370 51.611 55.397 -99.200 -91.000 TRP 148 1.040 14.946 53.963 63.247 -99.200 -91.000 TRP6 148 1.020 15.572 56.150 63.897 -99.200 -91.000 TYR 150 0.840 12.509 52.647 52.277 -99.200 -91.000