============================================================================= 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 57.701-211.945 27.482 -99.200 -91.000 PHE 14 1.000 53.352-218.069 22.275 -99.200 -91.000 TYR 18 0.840 52.794-217.431 16.413 -99.200 -91.000 HIS 65 0.900 68.823-187.229 5.256 -99.200 -91.000 HIS 83 0.900 56.769-192.362 13.591 -99.200 -91.000 HIS 91 0.900 66.521-183.733 14.074 -99.200 -91.000 TYR 94 0.840 59.456-179.587 16.161 -99.200 -91.000 TYR 95 0.840 66.171-180.605 17.551 -99.200 -91.000 PHE 115 1.000 52.910-205.949 19.597 -99.200 -91.000 PHE 130 1.000 53.808-201.237 12.227 -99.200 -91.000 HIS 139 0.900 76.388-188.864 3.787 -99.200 -91.000 TYR 145 0.840 77.629-192.816 1.249 -99.200 -91.000 PHE 148 1.000 71.249-197.822 11.008 -99.200 -91.000 HIS 149 0.900 66.610-206.924 9.272 -99.200 -91.000 PHE 156 1.000 68.216-199.256 15.547 -99.200 -91.000 TYR 157 0.840 71.506-206.801 15.610 -99.200 -91.000 TYR 159 0.840 72.391-207.027 9.316 -99.200 -91.000 TRP 179 1.040 80.208-205.353 2.067 -99.200 -91.000 TRP6 179 1.020 81.739-204.862 3.805 -99.200 -91.000 HIS 180 0.900 85.594-206.195 -1.747 -99.200 -91.000 PHE 218 1.000 65.474-193.675 -2.385 -99.200 -91.000 TYR 221 0.840 70.488-197.140 -9.630 -99.200 -91.000