============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 2 1.000 31.828 26.670 25.380 -99.200 -91.000 TYR 8 0.840 32.762 29.379 20.358 -99.200 -91.000 TYR 13 0.840 32.072 40.143 33.600 -99.200 -91.000 TRP 23 1.040 51.735 41.668 20.053 -99.200 -91.000 TRP6 23 1.020 49.845 42.939 20.687 -99.200 -91.000 TYR 36 0.840 45.298 44.829 18.216 -99.200 -91.000 TRP 48 1.040 41.582 32.591 19.920 -99.200 -91.000 TRP6 48 1.020 43.816 31.915 20.192 -99.200 -91.000 TYR 62 0.840 35.722 22.057 25.311 -99.200 -91.000 HIS 68 0.900 47.419 33.691 9.980 -99.200 -91.000 TYR 71 0.840 52.111 26.425 15.191 -99.200 -91.000 PHE 72 1.000 47.261 22.055 18.995 -99.200 -91.000 HIS 80 0.900 56.032 33.593 31.572 -99.200 -91.000 TRP 96 1.040 43.640 25.829 27.447 -99.200 -91.000 TRP6 96 1.020 44.539 27.356 29.011 -99.200 -91.000 HIS 104 0.900 20.888 28.777 39.785 -99.200 -91.000 TYR 106 0.840 26.527 26.833 28.713 -99.200 -91.000 PHE 109 1.000 30.523 29.681 29.377 -99.200 -91.000 TYR 126 0.840 41.820 42.406 38.725 -99.200 -91.000 HIS 129 0.900 41.621 51.321 28.410 -99.200 -91.000 TRP 147 1.040 38.443 34.592 29.829 -99.200 -91.000 TRP6 147 1.020 39.851 36.038 28.594 -99.200 -91.000 TYR 148 0.840 30.671 38.604 28.150 -99.200 -91.000 PHE 149 1.000 34.236 30.669 25.170 -99.200 -91.000