============================================================================= 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 57.575-212.429 27.934 -99.200 -91.000 PHE 14 1.000 53.257-218.655 22.896 -99.200 -91.000 TYR 18 0.840 52.671-218.176 17.106 -99.200 -91.000 HIS 65 0.900 68.634-187.739 6.190 -99.200 -91.000 HIS 83 0.900 56.679-193.143 14.110 -99.200 -91.000 HIS 91 0.900 66.209-184.445 14.668 -99.200 -91.000 TYR 94 0.840 59.521-180.404 16.992 -99.200 -91.000 TYR 95 0.840 66.043-181.058 18.013 -99.200 -91.000 PHE 115 1.000 52.548-206.972 20.306 -99.200 -91.000 PHE 130 1.000 53.907-201.963 12.827 -99.200 -91.000 HIS 139 0.900 76.512-189.632 4.815 -99.200 -91.000 TYR 145 0.840 77.569-193.316 2.300 -99.200 -91.000 PHE 148 1.000 71.051-198.498 12.031 -99.200 -91.000 HIS 149 0.900 66.321-207.545 10.182 -99.200 -91.000 PHE 156 1.000 67.729-199.756 16.590 -99.200 -91.000 TYR 157 0.840 71.478-207.437 16.439 -99.200 -91.000 TYR 159 0.840 72.330-207.540 10.265 -99.200 -91.000 TRP 179 1.040 80.386-205.805 3.378 -99.200 -91.000 TRP6 179 1.020 81.929-205.464 5.132 -99.200 -91.000 HIS 180 0.900 85.879-206.239 -0.588 -99.200 -91.000 PHE 218 1.000 65.559-194.256 -1.641 -99.200 -91.000 TYR 221 0.840 70.736-197.670 -8.736 -99.200 -91.000