============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 10 1.000 66.642 71.067 -6.644 -99.200 -91.000 PHE 14 1.000 59.269 56.988 -4.579 -99.200 -91.000 TRP 32 1.040 65.869 76.388 9.926 -99.200 -91.000 TRP6 32 1.020 63.572 76.409 9.341 -99.200 -91.000 TRP 41 1.040 49.080 71.533 18.817 -99.200 -91.000 TRP6 41 1.020 48.390 69.279 18.644 -99.200 -91.000 HIS 46 0.900 51.824 64.456 13.130 -99.200 -91.000 PHE 48 1.000 61.457 66.661 11.392 -99.200 -91.000 HIS 51 0.900 62.840 56.643 17.504 -99.200 -91.000 PHE 65 1.000 61.710 65.673 -4.243 -99.200 -91.000 TRP 84 1.040 47.595 61.433 13.478 -99.200 -91.000 TRP6 84 1.020 46.780 62.102 15.609 -99.200 -91.000 TRP 89 1.040 43.126 62.173 6.720 -99.200 -91.000 TRP6 89 1.020 42.381 63.675 5.026 -99.200 -91.000 TYR 98 0.840 50.957 58.396 -3.813 -99.200 -91.000 TYR 99 0.840 46.496 59.372 4.068 -99.200 -91.000 HIS 101 0.900 52.682 60.622 7.851 -99.200 -91.000 PHE 108 1.000 70.695 72.662 -2.723 -99.200 -91.000 TYR 118 0.840 53.785 69.647 -10.899 -99.200 -91.000 PHE 119 1.000 58.146 62.661 -7.428 -99.200 -91.000 PHE 130 1.000 40.441 61.640 -3.038 -99.200 -91.000 TYR 145 0.840 49.050 72.439 3.964 -99.200 -91.000 TYR 148 0.840 51.992 75.775 -2.288 -99.200 -91.000 PHE 150 1.000 47.289 69.951 -1.045 -99.200 -91.000 PHE 152 1.000 37.936 72.265 6.613 -99.200 -91.000 PHE 159 1.000 47.196 67.796 13.854 -99.200 -91.000 TYR 160 0.840 41.137 74.255 10.578 -99.200 -91.000 TYR 162 0.840 43.737 72.613 4.516 -99.200 -91.000