============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 3 0.840 4.619 5.505 8.313 -99.200 -91.000 PHE 4 1.000 12.241 5.196 15.812 -99.200 -91.000 TRP 9 1.040 25.252 8.430 10.859 -99.200 -91.000 TRP6 9 1.020 25.813 10.537 11.784 -99.200 -91.000 PHE 25 1.000 21.644 13.101 7.841 -99.200 -91.000 PHE 30 1.000 12.473 15.886 10.712 -99.200 -91.000 PHE 40 1.000 19.795 5.076 17.435 -99.200 -91.000 HIS 45 0.900 32.644 10.296 15.796 -99.200 -91.000 TYR 46 0.840 24.435 11.592 22.487 -99.200 -91.000 HIS 48 0.900 31.505 17.282 15.994 -99.200 -91.000 PHE 57 1.000 17.527 15.718 11.701 -99.200 -91.000 PHE 67 1.000 27.392 -7.033 33.668 -99.200 -91.000 TYR 72 0.840 29.831 -4.352 35.863 -99.200 -91.000 TYR 88 0.840 14.389 7.352 20.588 -99.200 -91.000 HIS 93 0.900 23.014 -3.951 14.082 -99.200 -91.000 PHE 94 1.000 24.361 -10.385 11.683 -99.200 -91.000 TYR 99 0.840 31.172 -9.132 12.917 -99.200 -91.000 PHE 100 1.000 31.678 -6.900 19.143 -99.200 -91.000 HIS 101 0.900 31.336 -14.374 21.250 -99.200 -91.000 PHE 125 1.000 12.331 -8.723 16.224 -99.200 -91.000 PHE 148 1.000 12.367 -8.257 22.770 -99.200 -91.000 PHE 155 1.000 3.178 -2.866 24.610 -99.200 -91.000 TYR 162 0.840 12.268 -9.738 9.556 -99.200 -91.000 TRP 166 1.040 17.913 -13.329 4.910 -99.200 -91.000 TRP6 166 1.020 16.591 -12.007 3.460 -99.200 -91.000 HIS 183 0.900 8.035 -5.464 9.543 -99.200 -91.000 TYR 206 0.840 13.647 -4.733 5.680 -99.200 -91.000 PHE 227 1.000 11.939 2.639 5.656 -99.200 -91.000 PHE 238 1.000 18.709 8.614 6.854 -99.200 -91.000