============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 16 0.840 64.826 81.665 14.364 -99.200 -91.000 TYR 30 0.840 47.423 89.586 24.623 -99.200 -91.000 PHE 40 1.000 43.171 90.603 15.298 -99.200 -91.000 PHE 44 1.000 39.684 90.039 27.782 -99.200 -91.000 PHE 50 1.000 50.712 80.639 37.088 -99.200 -91.000 TYR 51 0.840 48.602 79.571 28.288 -99.200 -91.000 TYR 55 0.840 50.297 77.974 24.050 -99.200 -91.000 TYR 57 0.840 52.796 81.653 15.834 -99.200 -91.000 HIS 60 0.900 56.839 80.915 7.127 -99.200 -91.000 TYR 77 0.840 64.861 86.904 34.897 -99.200 -91.000 HIS 110 0.900 70.599 77.285 19.432 -99.200 -91.000 TYR 117 0.840 66.110 76.993 30.257 -99.200 -91.000 HIS 119 0.900 69.827 71.214 32.951 -99.200 -91.000 HIS 136 0.900 46.036 71.266 37.805 -99.200 -91.000 PHE 137 1.000 47.154 76.665 31.290 -99.200 -91.000 PHE 138 1.000 48.297 73.421 27.684 -99.200 -91.000 HIS 140 0.900 41.703 70.210 36.025 -99.200 -91.000 TYR 141 0.840 43.600 75.730 28.268 -99.200 -91.000 TRP 149 1.040 35.491 68.957 24.810 -99.200 -91.000 TRP6 149 1.020 36.817 67.145 24.001 -99.200 -91.000 TRP 155 1.040 54.367 65.233 30.105 -99.200 -91.000 TRP6 155 1.020 55.036 67.259 29.123 -99.200 -91.000 PHE 169 1.000 59.133 73.675 7.017 -99.200 -91.000