============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 2 1.000 14.036 33.621 18.841 -99.200 -91.000 HIS 8 0.900 18.550 31.396 37.510 -99.200 -91.000 TYR 11 0.840 8.606 35.962 41.561 -99.200 -91.000 PHE 12 1.000 8.167 40.005 50.979 -99.200 -91.000 TRP 55 1.040 6.237 11.089 31.689 -99.200 -91.000 TRP6 55 1.020 7.207 12.996 32.736 -99.200 -91.000 TYR 63 0.840 14.338 16.525 26.538 -99.200 -91.000 PHE 75 1.000 28.868 16.508 12.182 -99.200 -91.000 HIS 79 0.900 29.675 19.410 9.528 -99.200 -91.000 PHE 92 1.000 21.681 7.873 20.250 -99.200 -91.000 TYR 99 0.840 26.596 13.578 29.304 -99.200 -91.000 HIS 114 0.900 4.625 15.103 20.849 -99.200 -91.000 TYR 121 0.840 3.077 30.693 30.767 -99.200 -91.000 PHE 122 1.000 5.884 26.957 23.508 -99.200 -91.000 PHE 153 1.000 9.336 18.923 32.926 -99.200 -91.000 PHE 154 1.000 16.100 14.990 30.927 -99.200 -91.000 TYR 160 0.840 22.404 19.501 38.234 -99.200 -91.000 TYR 173 0.840 30.418 13.926 23.982 -99.200 -91.000 PHE 181 1.000 45.326 13.602 8.665 -99.200 -91.000