============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 7 1.000 57.959-212.404 28.006 -99.200 -91.000 PHE 14 1.000 53.769-218.571 22.891 -99.200 -91.000 TYR 18 0.840 53.149-218.022 16.941 -99.200 -91.000 HIS 65 0.900 69.277-187.796 6.265 -99.200 -91.000 HIS 83 0.900 57.103-193.069 14.120 -99.200 -91.000 HIS 91 0.900 66.706-184.400 14.619 -99.200 -91.000 TYR 94 0.840 60.096-180.427 17.010 -99.200 -91.000 TYR 95 0.840 66.560-180.962 17.922 -99.200 -91.000 PHE 115 1.000 53.122-206.720 20.153 -99.200 -91.000 PHE 130 1.000 54.308-201.855 12.785 -99.200 -91.000 HIS 139 0.900 77.158-189.575 4.951 -99.200 -91.000 TYR 145 0.840 78.272-193.319 2.443 -99.200 -91.000 PHE 148 1.000 71.551-198.516 12.198 -99.200 -91.000 HIS 149 0.900 66.870-207.425 10.414 -99.200 -91.000 PHE 156 1.000 68.171-199.755 16.708 -99.200 -91.000 TYR 157 0.840 71.941-207.402 16.550 -99.200 -91.000 TYR 159 0.840 72.849-207.467 10.412 -99.200 -91.000 TRP 179 1.040 80.958-205.815 3.529 -99.200 -91.000 TRP6 179 1.020 82.456-205.420 5.309 -99.200 -91.000 HIS 180 0.900 86.648-206.218 -0.238 -99.200 -91.000 PHE 218 1.000 66.222-194.248 -1.494 -99.200 -91.000 TYR 221 0.840 71.387-197.679 -8.692 -99.200 -91.000