============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TRP 3 1.040 18.584 4.874 15.988 -99.200 -91.000 TRP6 3 1.020 19.435 4.566 13.795 -99.200 -91.000 TRP 6 1.040 21.056 10.513 18.141 -99.200 -91.000 TRP6 6 1.020 21.975 8.493 18.952 -99.200 -91.000 HIS 8 0.900 29.841 15.602 17.091 -99.200 -91.000 TYR 44 0.840 30.757 -5.834 31.555 -99.200 -91.000 TYR 57 0.840 28.646 14.919 32.911 -99.200 -91.000 TYR 73 0.840 29.003 -3.909 27.099 -99.200 -91.000 TYR 77 0.840 19.334 3.482 20.654 -99.200 -91.000 PHE 79 1.000 23.753 2.606 17.138 -99.200 -91.000 TRP 91 1.040 36.830 -9.798 10.501 -99.200 -91.000 TRP6 91 1.020 36.940 -8.688 12.584 -99.200 -91.000 HIS 96 0.900 28.374 -10.383 12.504 -99.200 -91.000 TRP 99 1.040 26.314 -11.193 20.258 -99.200 -91.000 TRP6 99 1.020 24.715 -9.867 19.110 -99.200 -91.000 HIS 103 0.900 23.828 -13.645 23.832 -99.200 -91.000 TYR 104 0.840 21.121 -22.892 20.192 -99.200 -91.000 PHE 110 1.000 21.217 -12.704 21.002 -99.200 -91.000 PHE 118 1.000 20.304 -2.617 24.215 -99.200 -91.000 TYR 124 0.840 31.887 -0.015 11.211 -99.200 -91.000 TYR 151 0.840 31.557 -4.418 -1.317 -99.200 -91.000 PHE 159 1.000 23.328 -9.295 3.576 -99.200 -91.000 TYR 165 0.840 30.755 3.889 11.616 -99.200 -91.000 TYR 168 0.840 37.712 6.895 3.621 -99.200 -91.000 TYR 172 0.840 38.127 14.818 5.493 -99.200 -91.000 PHE 191 1.000 25.311 6.101 12.232 -99.200 -91.000 TYR 192 0.840 33.919 10.262 7.061 -99.200 -91.000 TYR 208 0.840 29.873 16.404 0.397 -99.200 -91.000 TYR 219 0.840 40.588 9.726 23.694 -99.200 -91.000 PHE 226 1.000 34.381 16.612 21.036 -99.200 -91.000