============================================================================= 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. TYR 14 0.840 7.878 27.981 31.774 -99.200 -91.000 HIS 18 0.900 5.806 33.447 28.839 -99.200 -91.000 PHE 29 1.000 10.604 22.344 29.848 -99.200 -91.000 HIS 66 0.900 7.916 40.229 24.014 -99.200 -91.000 TYR 68 0.840 11.155 50.629 18.641 -99.200 -91.000 TRP 71 1.040 10.168 42.219 28.898 -99.200 -91.000 TRP6 71 1.020 11.856 41.383 27.501 -99.200 -91.000 HIS 87 0.900 10.794 11.479 39.881 -99.200 -91.000 PHE 94 1.000 -0.543 30.565 32.832 -99.200 -91.000 PHE 96 1.000 -0.775 41.286 34.418 -99.200 -91.000 TRP 108 1.040 8.635 61.335 28.677 -99.200 -91.000 TRP6 108 1.020 7.265 60.036 27.251 -99.200 -91.000 PHE 113 1.000 4.087 65.050 36.970 -99.200 -91.000 TYR 127 0.840 2.883 28.208 33.504 -99.200 -91.000 TRP 138 1.040 15.455 19.636 42.759 -99.200 -91.000 TRP6 138 1.020 13.984 17.838 43.143 -99.200 -91.000 HIS 146 0.900 -3.031 29.047 28.003 -99.200 -91.000 PHE 151 1.000 -2.727 28.845 19.358 -99.200 -91.000