============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 5 0.840 33.328-210.616 31.788 -99.200 -91.000 PHE 7 1.000 32.929-210.898 26.069 -99.200 -91.000 PHE 12 1.000 20.642-214.448 16.774 -99.200 -91.000 TYR 23 0.840 20.016-221.939 28.461 -99.200 -91.000 TYR 75 0.840 7.944-211.306 40.525 -99.200 -91.000 TYR 82 0.840 7.962-207.155 40.154 -99.200 -91.000 HIS 94 0.900 7.856-189.798 37.857 -99.200 -91.000 TYR 97 0.840 4.360-189.968 28.091 -99.200 -91.000 TYR 101 0.840 5.282-186.007 25.565 -99.200 -91.000 TYR 104 0.840 2.072-189.959 36.840 -99.200 -91.000 PHE 130 1.000 16.448-206.867 33.667 -99.200 -91.000 HIS 139 0.900 -8.495-195.572 32.182 -99.200 -91.000 PHE 142 1.000 -6.885-188.992 24.188 -99.200 -91.000 PHE 145 1.000 -10.482-199.619 32.895 -99.200 -91.000 TYR 148 0.840 -0.181-203.668 26.264 -99.200 -91.000 TYR 156 0.840 5.436-204.226 23.643 -99.200 -91.000 PHE 157 1.000 3.746-211.712 23.807 -99.200 -91.000 TRP 159 1.040 -1.349-211.892 26.942 -99.200 -91.000 TRP6 159 1.020 -1.721-213.911 25.771 -99.200 -91.000 PHE 174 1.000 -11.263-221.660 35.955 -99.200 -91.000 TRP 179 1.040 -12.043-212.218 29.190 -99.200 -91.000 TRP6 179 1.020 -12.505-211.505 26.983 -99.200 -91.000 HIS 190 0.900 -16.486-215.872 41.731 -99.200 -91.000 PHE 204 1.000 -7.110-219.038 46.922 -99.200 -91.000 TYR 223 0.840 -4.033-183.152 45.316 -99.200 -91.000 PHE 234 1.000 -1.705-200.389 41.902 -99.200 -91.000