============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 3 1.000 70.882 -11.008 162.654 -99.200 -91.000 HIS 6 0.900 76.229 -16.974 168.741 -99.200 -91.000 TYR 29 0.840 66.643 -30.117 164.840 -99.200 -91.000 TYR 47 0.840 60.820 -18.990 169.974 -99.200 -91.000 PHE 79 1.000 63.978 -22.240 161.145 -99.200 -91.000 HIS 84 0.900 55.092 -22.944 164.998 -99.200 -91.000 PHE 87 1.000 54.363 -28.362 168.723 -99.200 -91.000 PHE 119 1.000 39.701 -12.594 165.218 -99.200 -91.000 PHE 135 1.000 35.490 -9.287 168.779 -99.200 -91.000 PHE 138 1.000 37.937 -15.408 167.363 -99.200 -91.000 TYR 143 0.840 37.546 -20.149 168.115 -99.200 -91.000 TYR 163 0.840 57.313 -8.921 161.989 -99.200 -91.000 TYR 178 0.840 58.740 -32.159 158.705 -99.200 -91.000