============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 4 0.900 65.630 -1.496 29.729 -99.200 -91.000 PHE 20 1.000 62.937 18.413 19.348 -99.200 -91.000 PHE 25 1.000 58.653 20.341 15.295 -99.200 -91.000 PHE 38 1.000 70.336 5.216 24.934 -99.200 -91.000 TYR 44 0.840 63.897 5.993 13.540 -99.200 -91.000 TYR 46 0.840 62.075 2.408 24.303 -99.200 -91.000 PHE 47 1.000 60.475 8.633 22.176 -99.200 -91.000 PHE 53 1.000 58.669 20.761 20.178 -99.200 -91.000 HIS 74 0.900 52.907 15.205 51.473 -99.200 -91.000 TRP 78 1.040 46.066 30.652 49.691 -99.200 -91.000 TRP6 78 1.020 45.578 31.693 47.632 -99.200 -91.000 TYR 84 0.840 53.150 27.217 39.159 -99.200 -91.000 PHE 104 1.000 54.807 29.914 25.753 -99.200 -91.000 TYR 106 0.840 54.457 21.713 17.868 -99.200 -91.000 TRP 111 1.040 47.549 31.107 13.079 -99.200 -91.000 TRP6 111 1.020 46.403 31.944 11.198 -99.200 -91.000 TYR 119 0.840 49.706 17.597 21.332 -99.200 -91.000 TYR 124 0.840 42.372 25.840 27.130 -99.200 -91.000 PHE 127 1.000 46.123 24.184 33.832 -99.200 -91.000 PHE 131 1.000 44.781 25.530 38.756 -99.200 -91.000 PHE 144 1.000 40.910 27.242 47.450 -99.200 -91.000 PHE 156 1.000 42.113 36.023 34.662 -99.200 -91.000 PHE 157 1.000 47.471 28.800 37.841 -99.200 -91.000 TYR 169 0.840 58.579 36.986 23.676 -99.200 -91.000 PHE 170 1.000 58.802 42.572 27.396 -99.200 -91.000 TYR 187 0.840 41.392 35.465 38.967 -99.200 -91.000