============================================================================= 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. PHE 4 1.000 7.891 -4.282 53.153 -99.200 -91.000 TYR 7 0.840 9.827 7.185 56.682 -99.200 -91.000 TYR 14 0.840 2.377 10.757 51.084 -99.200 -91.000 PHE 15 1.000 6.096 6.328 50.582 -99.200 -91.000 PHE 19 1.000 -0.371 0.378 53.543 -99.200 -91.000 PHE 23 1.000 2.367 3.310 48.983 -99.200 -91.000 TRP 25 1.040 5.616 3.368 43.222 -99.200 -91.000 TRP6 25 1.020 6.694 3.026 41.145 -99.200 -91.000 TYR 31 0.840 17.927 3.945 32.467 -99.200 -91.000 PHE 36 1.000 13.235 9.623 27.650 -99.200 -91.000 HIS 40 0.900 -0.445 4.053 38.301 -99.200 -91.000 TYR 51 0.840 4.298 -3.988 46.675 -99.200 -91.000 PHE 60 1.000 15.751 1.686 28.291 -99.200 -91.000 TRP 74 1.040 19.728 -0.462 39.349 -99.200 -91.000 TRP6 74 1.020 19.883 1.317 37.794 -99.200 -91.000 TYR 82 0.840 11.103 18.576 46.636 -99.200 -91.000 HIS 103 0.900 29.798 3.141 38.276 -99.200 -91.000 HIS 109 0.900 12.799 13.570 36.194 -99.200 -91.000 TYR 112 0.840 7.545 8.165 46.020 -99.200 -91.000 PHE 126 1.000 15.133 18.366 50.537 -99.200 -91.000 HIS 127 0.900 11.727 12.556 53.887 -99.200 -91.000 PHE 128 1.000 18.984 14.815 52.213 -99.200 -91.000 HIS 131 0.900 15.620 4.316 48.203 -99.200 -91.000 HIS 143 0.900 12.172 -18.818 37.818 -99.200 -91.000 TYR 144 0.840 16.044 -11.630 36.409 -99.200 -91.000 TYR 147 0.840 18.839 -6.778 51.484 -99.200 -91.000 TYR 154 0.840 14.743 15.671 59.218 -99.200 -91.000 HIS 163 0.900 16.455 24.530 57.872 -99.200 -91.000 HIS 164 0.900 15.224 18.943 60.918 -99.200 -91.000