============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 11 0.900 54.413 53.996 25.872 -99.200 -91.000 HIS 17 0.900 66.723 48.420 45.960 -99.200 -91.000 HIS 21 0.900 70.713 38.568 43.257 -99.200 -91.000 TYR 22 0.840 63.040 40.209 41.412 -99.200 -91.000 PHE 32 1.000 53.460 49.129 38.293 -99.200 -91.000 TRP 47 1.040 60.195 45.879 22.272 -99.200 -91.000 TRP6 47 1.020 57.857 46.118 21.985 -99.200 -91.000 PHE 55 1.000 65.474 42.736 28.138 -99.200 -91.000 TYR 58 0.840 60.684 33.562 33.553 -99.200 -91.000 HIS 77 0.900 75.630 41.214 31.956 -99.200 -91.000 PHE 89 1.000 53.671 41.443 20.692 -99.200 -91.000 TRP 100 1.040 43.736 42.237 21.234 -99.200 -91.000 TRP6 100 1.020 42.871 40.900 22.983 -99.200 -91.000 TYR 106 0.840 49.449 54.974 27.462 -99.200 -91.000 PHE 107 1.000 53.199 51.939 34.447 -99.200 -91.000