============================================================================= 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 57.727-212.687 27.446 -99.200 -91.000 PHE 14 1.000 53.407-218.809 22.552 -99.200 -91.000 TYR 18 0.840 52.849-218.387 17.023 -99.200 -91.000 HIS 65 0.900 68.853-187.737 6.044 -99.200 -91.000 HIS 83 0.900 56.715-192.794 14.091 -99.200 -91.000 HIS 91 0.900 66.054-184.415 14.545 -99.200 -91.000 TYR 94 0.840 59.203-180.108 17.097 -99.200 -91.000 TYR 95 0.840 65.942-180.915 17.925 -99.200 -91.000 PHE 115 1.000 52.781-206.703 20.199 -99.200 -91.000 PHE 130 1.000 53.543-201.924 12.435 -99.200 -91.000 HIS 139 0.900 76.898-189.762 5.081 -99.200 -91.000 TYR 144 0.840 77.875-193.331 2.206 -99.200 -91.000 PHE 147 1.000 71.050-198.568 12.213 -99.200 -91.000 HIS 148 0.900 66.102-207.245 9.999 -99.200 -91.000 PHE 155 1.000 67.801-199.829 16.576 -99.200 -91.000 TYR 156 0.840 70.838-207.535 16.629 -99.200 -91.000 TYR 158 0.840 72.132-207.801 10.392 -99.200 -91.000 TRP 178 1.040 80.597-206.241 3.808 -99.200 -91.000 TRP6 178 1.020 82.293-205.728 5.371 -99.200 -91.000 HIS 179 0.900 85.955-206.642 -0.558 -99.200 -91.000 PHE 217 1.000 65.603-194.054 -1.770 -99.200 -91.000 TYR 220 0.840 70.548-197.395 -8.755 -99.200 -91.000