============================================================================= 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. TYR 12 0.840 -43.846 9.320 -50.483 -99.200 -91.000 HIS 14 0.900 -48.723 4.105 -42.059 -99.200 -91.000 PHE 18 1.000 -40.976 18.048 -49.844 -99.200 -91.000 PHE 22 1.000 -36.040 6.195 -42.458 -99.200 -91.000 HIS 23 0.900 -41.056 11.265 -47.091 -99.200 -91.000 HIS 43 0.900 -50.503 -3.180 -48.328 -99.200 -91.000 PHE 46 1.000 -45.484 0.350 -44.082 -99.200 -91.000 PHE 70 1.000 -36.760 -4.426 -51.407 -99.200 -91.000 HIS 79 0.900 -26.626 8.345 -64.058 -99.200 -91.000 TRP 107 1.040 -24.367 1.494 -47.926 -99.200 -91.000 TRP6 107 1.020 -23.286 3.609 -47.924 -99.200 -91.000 PHE 111 1.000 -29.619 10.918 -54.419 -99.200 -91.000