============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 8 1.000 -0.150 36.590 58.519 -99.200 -91.000 TRP 15 1.040 -1.565 32.207 59.882 -99.200 -91.000 TRP6 15 1.020 0.540 32.273 60.960 -99.200 -91.000 HIS 16 0.900 0.908 30.235 52.215 -99.200 -91.000 HIS 23 0.900 1.652 18.248 66.254 -99.200 -91.000 TYR 41 0.840 6.797 25.504 69.292 -99.200 -91.000 TYR 44 0.840 9.601 30.758 59.657 -99.200 -91.000 TYR 54 0.840 9.603 55.992 48.455 -99.200 -91.000 PHE 61 1.000 12.024 48.166 60.090 -99.200 -91.000 TYR 66 0.840 5.212 42.642 72.909 -99.200 -91.000 PHE 79 1.000 12.713 53.360 58.650 -99.200 -91.000 TYR 88 0.840 13.313 33.318 71.242 -99.200 -91.000 HIS 91 0.900 7.006 26.262 79.013 -99.200 -91.000 TYR 97 0.840 1.383 39.763 71.053 -99.200 -91.000 PHE 100 1.000 5.141 44.736 62.493 -99.200 -91.000 HIS 105 0.900 8.284 53.190 60.616 -99.200 -91.000 TYR 112 0.840 9.621 35.047 55.070 -99.200 -91.000 TRP 113 1.040 4.370 36.886 61.477 -99.200 -91.000 TRP6 113 1.020 3.891 39.030 60.578 -99.200 -91.000 PHE 123 1.000 21.783 10.930 67.711 -99.200 -91.000