============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TRP 4 1.040 9.918 -5.278 2.647 -99.200 -91.000 TRP6 4 1.020 8.766 -3.346 1.877 -99.200 -91.000 HIS 6 0.900 12.016 -11.421 4.788 -99.200 -91.000 PHE 9 1.000 21.931 -16.692 10.973 -99.200 -91.000 PHE 26 1.000 45.590 12.203 29.277 -99.200 -91.000 HIS 29 0.900 36.125 10.105 28.178 -99.200 -91.000 HIS 34 0.900 44.877 15.527 35.243 -99.200 -91.000 HIS 42 0.900 45.883 20.598 44.227 -99.200 -91.000 TYR 66 0.840 42.880 9.291 41.394 -99.200 -91.000 PHE 77 1.000 36.344 10.543 34.030 -99.200 -91.000 TYR 93 0.840 48.201 9.054 26.030 -99.200 -91.000 PHE 98 1.000 50.801 12.281 30.580 -99.200 -91.000