============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 4 0.840 -12.697 51.618 0.650 -99.200 -91.000 TYR 38 0.840 -2.324 45.396 -13.449 -99.200 -91.000 PHE 45 1.000 -7.454 47.548 -8.121 -99.200 -91.000 PHE 46 1.000 -12.620 46.335 -0.637 -99.200 -91.000 PHE 62 1.000 -9.826 36.379 3.728 -99.200 -91.000 PHE 63 1.000 -5.570 40.004 3.728 -99.200 -91.000 HIS 66 0.900 -9.741 31.588 5.981 -99.200 -91.000 TYR 67 0.840 -5.186 33.818 1.400 -99.200 -91.000 PHE 69 1.000 0.771 33.931 2.749 -99.200 -91.000 PHE 73 1.000 -4.953 45.354 5.409 -99.200 -91.000 PHE 81 1.000 -3.927 56.267 -7.443 -99.200 -91.000 TRP 91 1.040 10.361 64.233 -9.762 -99.200 -91.000 TRP6 91 1.020 10.039 62.017 -8.953 -99.200 -91.000 TRP 92 1.040 4.439 59.307 -11.132 -99.200 -91.000 TRP6 92 1.020 5.706 57.726 -9.907 -99.200 -91.000 PHE 101 1.000 2.977 56.403 -4.333 -99.200 -91.000 PHE 103 1.000 0.473 52.557 -3.883 -99.200 -91.000 TYR 104 0.840 3.633 56.852 3.336 -99.200 -91.000 TYR 128 0.840 6.163 65.868 -3.440 -99.200 -91.000 PHE 129 1.000 9.583 61.858 2.187 -99.200 -91.000 PHE 135 1.000 4.066 60.555 -6.200 -99.200 -91.000 TRP 136 1.040 13.698 56.729 -4.162 -99.200 -91.000 TRP6 136 1.020 13.872 56.000 -1.918 -99.200 -91.000 PHE 139 1.000 16.761 61.911 -12.071 -99.200 -91.000 TYR 144 0.840 18.051 50.715 -9.795 -99.200 -91.000 TYR 149 0.840 13.878 51.895 -4.884 -99.200 -91.000 HIS 150 0.900 20.683 47.940 -6.429 -99.200 -91.000 TYR 152 0.840 22.614 53.433 1.743 -99.200 -91.000 PHE 158 1.000 10.901 52.784 5.070 -99.200 -91.000 TYR 159 0.840 12.153 45.458 1.666 -99.200 -91.000 HIS 161 0.900 5.444 46.208 8.961 -99.200 -91.000 PHE 170 1.000 0.698 56.424 -8.557 -99.200 -91.000