============================================================================= 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. HIS 21 0.900 -5.197 -21.379 -5.429 -99.200 -91.000 PHE 23 1.000 0.130 -23.205 -7.975 -99.200 -91.000 TRP 31 1.040 4.760 -24.143 -12.482 -99.200 -91.000 TRP6 31 1.020 6.177 -22.510 -11.552 -99.200 -91.000 PHE 34 1.000 5.995 -21.460 -0.432 -99.200 -91.000 HIS 46 0.900 -0.356 -8.369 5.233 -99.200 -91.000 PHE 54 1.000 9.403 -16.331 -0.062 -99.200 -91.000 TYR 59 0.840 8.993 -19.425 -3.829 -99.200 -91.000 TYR 68 0.840 -12.297 -8.501 -7.866 -99.200 -91.000 TRP 69 1.040 -12.106 -8.642 -13.204 -99.200 -91.000 TRP6 69 1.020 -12.736 -6.474 -12.583 -99.200 -91.000 PHE 77 1.000 -8.263 -11.312 -23.471 -99.200 -91.000 HIS 78 0.900 -5.937 -10.435 -19.083 -99.200 -91.000 HIS 80 0.900 -4.287 -18.251 -14.290 -99.200 -91.000 PHE 85 1.000 8.343 -13.818 -6.780 -99.200 -91.000 TYR 95 0.840 11.040 -11.469 -2.733 -99.200 -91.000 TYR 104 0.840 -12.162 -7.381 -22.427 -99.200 -91.000 TYR 106 0.840 -2.365 -9.412 -15.554 -99.200 -91.000