============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 12 1.000 -5.321 9.298 39.964 -99.200 -91.000 TYR 17 0.840 -1.446 12.464 42.667 -99.200 -91.000 PHE 18 1.000 -5.190 15.624 41.151 -99.200 -91.000 TRP 23 1.040 1.308 13.381 46.001 -99.200 -91.000 TRP6 23 1.020 1.446 11.127 46.724 -99.200 -91.000 TYR 24 0.840 7.804 16.243 50.865 -99.200 -91.000 TYR 28 0.840 15.925 13.476 38.998 -99.200 -91.000 TYR 40 0.840 15.909 20.366 39.170 -99.200 -91.000 TYR 58 0.840 10.952 24.062 45.987 -99.200 -91.000 HIS 59 0.900 11.735 23.697 38.612 -99.200 -91.000 TYR 60 0.840 17.122 25.010 46.106 -99.200 -91.000 PHE 68 1.000 13.487 28.052 37.996 -99.200 -91.000 TYR 69 0.840 7.723 27.855 45.589 -99.200 -91.000 TYR 82 0.840 -5.601 14.650 35.933 -99.200 -91.000 PHE 86 1.000 4.617 25.895 33.105 -99.200 -91.000 TYR 104 0.840 1.430 21.744 26.696 -99.200 -91.000 TYR 105 0.840 3.086 20.348 35.108 -99.200 -91.000 PHE 107 1.000 1.324 15.040 37.729 -99.200 -91.000 TYR 111 0.840 1.189 2.028 42.951 -99.200 -91.000 HIS 120 0.900 5.289 10.798 30.611 -99.200 -91.000 HIS 124 0.900 5.057 19.834 25.324 -99.200 -91.000 TYR 134 0.840 8.638 7.407 32.547 -99.200 -91.000 PHE 160 1.000 13.696 2.910 42.593 -99.200 -91.000 PHE 163 1.000 12.651 5.848 37.869 -99.200 -91.000 TYR 173 0.840 11.609 18.922 49.572 -99.200 -91.000