============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 3 1.000 29.269 7.509 6.008 -99.200 -91.000 HIS 30 0.900 32.312 22.506 -16.194 -99.200 -91.000 HIS 31 0.900 35.384 22.103 -9.190 -99.200 -91.000 PHE 37 1.000 21.942 29.657 -8.481 -99.200 -91.000 PHE 41 1.000 19.847 23.577 0.198 -99.200 -91.000 TYR 50 0.840 19.140 18.715 1.937 -99.200 -91.000 PHE 60 1.000 26.596 20.586 3.226 -99.200 -91.000 PHE 66 1.000 20.852 18.860 13.584 -99.200 -91.000 TRP 72 1.040 25.849 26.347 8.847 -99.200 -91.000 TRP6 72 1.020 26.664 24.694 7.363 -99.200 -91.000 PHE 75 1.000 14.211 24.233 10.837 -99.200 -91.000 PHE 76 1.000 20.770 22.393 4.771 -99.200 -91.000 TYR 79 0.840 26.302 12.276 8.051 -99.200 -91.000 HIS 83 0.900 31.566 12.388 5.587 -99.200 -91.000 TYR 92 0.840 37.605 33.115 -6.885 -99.200 -91.000 HIS 107 0.900 30.706 24.744 -6.867 -99.200 -91.000 HIS 110 0.900 31.071 29.523 -4.674 -99.200 -91.000 PHE 112 1.000 30.174 34.084 -1.362 -99.200 -91.000 HIS 123 0.900 29.203 27.156 6.194 -99.200 -91.000 PHE 132 1.000 15.768 15.229 2.773 -99.200 -91.000