============================================================================= 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 22 0.900 27.389 21.300 38.121 -99.200 -91.000 PHE 24 1.000 22.042 19.244 40.640 -99.200 -91.000 TRP 32 1.040 17.276 18.167 44.940 -99.200 -91.000 TRP6 32 1.020 15.811 19.762 43.983 -99.200 -91.000 PHE 35 1.000 16.224 21.100 33.013 -99.200 -91.000 HIS 47 0.900 22.579 34.457 27.770 -99.200 -91.000 PHE 55 1.000 12.648 26.056 33.041 -99.200 -91.000 TYR 60 0.840 13.103 22.927 36.493 -99.200 -91.000 TYR 69 0.840 34.207 34.695 41.132 -99.200 -91.000 TRP 70 1.040 33.521 34.447 46.516 -99.200 -91.000 TRP6 70 1.020 33.964 36.701 45.893 -99.200 -91.000 PHE 78 1.000 29.490 31.449 56.516 -99.200 -91.000 HIS 79 0.900 27.410 32.232 52.087 -99.200 -91.000 HIS 81 0.900 25.902 24.738 47.662 -99.200 -91.000 PHE 86 1.000 13.612 28.395 39.550 -99.200 -91.000 TYR 96 0.840 10.833 30.872 35.688 -99.200 -91.000 TYR 105 0.840 33.331 35.373 55.668 -99.200 -91.000 TYR 107 0.840 24.133 33.331 48.726 -99.200 -91.000