============================================================================= 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. HIS 41 0.900 20.785-178.150 -14.110 -99.200 -91.000 PHE 46 1.000 31.367-166.641 -1.728 -99.200 -91.000 PHE 56 1.000 28.194-171.302 5.105 -99.200 -91.000 TYR 59 0.840 30.943-177.653 5.983 -99.200 -91.000 TYR 67 0.840 21.763-185.773 -1.293 -99.200 -91.000 TYR 73 0.840 17.123-186.656 -7.513 -99.200 -91.000 PHE 83 1.000 24.050-179.118 3.868 -99.200 -91.000 TYR 98 0.840 31.733-171.383 9.329 -99.200 -91.000 TYR 107 0.840 15.060-174.019 -14.901 -99.200 -91.000 TYR 115 0.840 15.139-171.096 -1.975 -99.200 -91.000 TYR 119 0.840 24.805-162.296 11.346 -99.200 -91.000 TYR 128 0.840 12.360-157.445 -6.105 -99.200 -91.000 HIS 131 0.900 21.898-161.527 2.302 -99.200 -91.000 TYR 133 0.840 24.350-150.317 5.208 -99.200 -91.000 PHE 136 1.000 18.903-150.155 4.172 -99.200 -91.000 TYR 137 0.840 22.826-147.520 -1.330 -99.200 -91.000 PHE 139 1.000 15.676-155.133 -1.483 -99.200 -91.000 HIS 144 0.900 8.605-147.594 -10.896 -99.200 -91.000 HIS 145 0.900 11.701-149.331 -13.317 -99.200 -91.000 TYR 146 0.840 10.192-159.541 -10.315 -99.200 -91.000 PHE 174 1.000 29.557-151.373 -6.795 -99.200 -91.000 PHE 193 1.000 25.006-155.902 -15.519 -99.200 -91.000