============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 8 1.000 8.282 76.321 2.719 -99.200 -91.000 PHE 15 1.000 3.245 69.044 8.762 -99.200 -91.000 HIS 18 0.900 6.747 79.088 10.332 -99.200 -91.000 PHE 21 1.000 16.360 87.427 10.129 -99.200 -91.000 PHE 29 1.000 18.388 72.719 6.874 -99.200 -91.000 TYR 32 0.840 5.852 77.412 -2.191 -99.200 -91.000 TYR 42 0.840 16.505 66.113 -6.791 -99.200 -91.000 TYR 48 0.840 24.168 72.831 2.130 -99.200 -91.000 PHE 52 1.000 14.147 61.566 0.539 -99.200 -91.000 HIS 56 0.900 7.915 66.402 -2.329 -99.200 -91.000 TYR 59 0.840 -1.635 74.894 -3.267 -99.200 -91.000 HIS 61 0.900 4.369 79.000 -7.189 -99.200 -91.000 PHE 65 1.000 11.608 66.392 3.769 -99.200 -91.000 PHE 66 1.000 17.671 70.831 1.562 -99.200 -91.000 HIS 70 0.900 28.595 66.303 8.539 -99.200 -91.000 HIS 72 0.900 24.784 72.059 6.830 -99.200 -91.000 TYR 80 0.840 24.796 75.871 -2.512 -99.200 -91.000 PHE 87 1.000 16.975 81.218 -6.056 -99.200 -91.000 PHE 89 1.000 8.189 81.433 -4.970 -99.200 -91.000 TYR 99 0.840 6.026 59.496 8.823 -99.200 -91.000 TYR 101 0.840 8.767 61.728 1.641 -99.200 -91.000 PHE 109 1.000 1.402 70.471 -0.607 -99.200 -91.000 HIS 123 0.900 14.111 52.743 2.539 -99.200 -91.000