============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 4 1.000 16.057 -5.277 18.392 -99.200 -91.000 TYR 17 0.840 -3.727 -5.849 15.186 -99.200 -91.000 HIS 19 0.900 -6.887 0.555 23.150 -99.200 -91.000 HIS 23 0.900 -12.514 -0.839 22.533 -99.200 -91.000 TRP 28 1.040 -7.743 4.501 9.715 -99.200 -91.000 TRP6 28 1.020 -7.582 6.035 7.912 -99.200 -91.000 TRP 41 1.040 2.706 -8.206 12.344 -99.200 -91.000 TRP6 41 1.020 3.668 -7.367 14.347 -99.200 -91.000 TYR 42 0.840 8.660 -12.099 17.103 -99.200 -91.000 TYR 50 0.840 11.419 -4.948 6.830 -99.200 -91.000 TYR 64 0.840 2.341 -3.639 18.782 -99.200 -91.000 PHE 67 1.000 11.419 -0.881 9.810 -99.200 -91.000 TRP 70 1.040 3.690 3.885 2.164 -99.200 -91.000 TRP6 70 1.020 4.118 5.245 0.275 -99.200 -91.000 PHE 73 1.000 3.522 -2.847 -8.319 -99.200 -91.000 PHE 76 1.000 6.187 2.752 -4.247 -99.200 -91.000 TYR 78 0.840 16.484 0.307 -1.226 -99.200 -91.000 HIS 82 0.900 5.127 5.248 12.681 -99.200 -91.000 TYR 85 0.840 -0.807 0.286 16.297 -99.200 -91.000 HIS 87 0.900 -2.427 -1.634 28.236 -99.200 -91.000 HIS 90 0.900 1.109 1.136 31.152 -99.200 -91.000 HIS 113 0.900 16.649 7.924 0.647 -99.200 -91.000 HIS 129 0.900 4.234 10.587 13.653 -99.200 -91.000 HIS 130 0.900 4.890 18.841 11.763 -99.200 -91.000 PHE 134 1.000 8.447 10.612 10.887 -99.200 -91.000 PHE 146 1.000 -14.373 3.048 15.409 -99.200 -91.000 TRP 149 1.040 -17.493 8.218 3.433 -99.200 -91.000 TRP6 149 1.020 -16.887 6.101 2.513 -99.200 -91.000 PHE 154 1.000 0.228 7.803 3.294 -99.200 -91.000 HIS 161 0.900 25.437 7.991 2.130 -99.200 -91.000