============================================================================= 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 57.210-212.392 27.810 -99.200 -91.000 PHE 14 1.000 53.013-218.642 22.807 -99.200 -91.000 TYR 18 0.840 52.270-218.068 16.979 -99.200 -91.000 HIS 65 0.900 68.149-187.756 6.048 -99.200 -91.000 HIS 83 0.900 56.306-193.041 14.062 -99.200 -91.000 HIS 91 0.900 65.909-184.388 14.432 -99.200 -91.000 TYR 94 0.840 59.162-180.379 16.962 -99.200 -91.000 TYR 95 0.840 65.700-181.088 17.831 -99.200 -91.000 PHE 115 1.000 52.192-206.885 20.208 -99.200 -91.000 PHE 130 1.000 53.493-201.867 12.830 -99.200 -91.000 HIS 139 0.900 76.044-189.552 4.670 -99.200 -91.000 TYR 145 0.840 77.148-193.340 2.130 -99.200 -91.000 PHE 148 1.000 70.596-198.509 11.886 -99.200 -91.000 HIS 149 0.900 65.866-207.500 10.031 -99.200 -91.000 PHE 156 1.000 67.289-199.720 16.526 -99.200 -91.000 TYR 157 0.840 71.107-207.444 16.332 -99.200 -91.000 TYR 159 0.840 71.897-207.516 10.136 -99.200 -91.000 TRP 179 1.040 79.847-205.797 3.135 -99.200 -91.000 TRP6 179 1.020 81.379-205.411 4.890 -99.200 -91.000 HIS 180 0.900 85.396-206.296 -0.792 -99.200 -91.000 PHE 218 1.000 65.151-194.237 -1.707 -99.200 -91.000 TYR 221 0.840 70.189-197.662 -8.925 -99.200 -91.000