============================================================================= 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 4 1.000 38.355 2.876 17.109 -99.200 -91.000 TYR 18 0.840 43.884 20.194 15.449 -99.200 -91.000 TYR 24 0.840 34.093 25.617 11.394 -99.200 -91.000 TYR 25 0.840 39.763 28.440 17.951 -99.200 -91.000 HIS 31 0.900 35.698 15.940 20.522 -99.200 -91.000 PHE 67 1.000 39.973 8.099 16.675 -99.200 -91.000 TYR 88 0.840 27.398 0.782 8.873 -99.200 -91.000 PHE 104 1.000 36.111 11.235 13.594 -99.200 -91.000 PHE 114 1.000 28.440 13.971 -0.215 -99.200 -91.000 TRP 126 1.040 31.273 -1.683 -6.012 -99.200 -91.000 TRP6 126 1.020 30.074 -1.040 -4.088 -99.200 -91.000 TRP 138 1.040 34.599 14.860 1.474 -99.200 -91.000 TRP6 138 1.020 34.496 12.762 0.410 -99.200 -91.000 TYR 139 0.840 37.843 15.176 -5.857 -99.200 -91.000 PHE 153 1.000 32.279 5.213 0.469 -99.200 -91.000 TRP 158 1.040 41.225 -2.040 5.092 -99.200 -91.000 TRP6 158 1.020 40.148 -0.128 5.996 -99.200 -91.000 TYR 161 0.840 42.714 5.346 4.256 -99.200 -91.000