============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. HIS 1 0.900 20.411 -29.851 28.211 -99.200 -91.000 HIS 2 0.900 13.264 -23.847 25.850 -99.200 -91.000 HIS 12 0.900 0.012 -37.800 26.704 -99.200 -91.000 PHE 36 1.000 10.900 -35.173 17.891 -99.200 -91.000 PHE 58 1.000 13.729 -12.026 9.064 -99.200 -91.000 HIS 68 0.900 -4.154 -14.123 16.092 -99.200 -91.000 TYR 96 0.840 9.771 -3.153 6.463 -99.200 -91.000 TYR 100 0.840 12.918 -4.396 -1.198 -99.200 -91.000 PHE 130 1.000 16.638 -16.557 0.533 -99.200 -91.000 HIS 131 0.900 19.004 -14.179 8.863 -99.200 -91.000 TYR 136 0.840 6.515 -26.548 20.824 -99.200 -91.000 HIS 139 0.900 1.344 -20.203 29.052 -99.200 -91.000 HIS 149 0.900 18.325 -16.461 13.372 -99.200 -91.000 TRP 152 1.040 21.614 -21.551 1.944 -99.200 -91.000 TRP6 152 1.020 19.901 -21.726 0.332 -99.200 -91.000 PHE 166 1.000 9.553 -19.485 -1.194 -99.200 -91.000 TYR 168 0.840 13.267 -11.030 -2.127 -99.200 -91.000 PHE 172 1.000 20.738 -16.652 -0.801 -99.200 -91.000 PHE 173 1.000 26.706 -18.161 -7.727 -99.200 -91.000 HIS 194 0.900 15.756 -19.888 4.070 -99.200 -91.000