============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 4 1.000 224.997 61.414 -46.252 -99.200 -91.000 PHE 7 1.000 225.927 68.712 -39.600 -99.200 -91.000 TYR 30 0.840 212.021 72.962 -63.713 -99.200 -91.000 TYR 46 0.840 194.578 79.795 -68.064 -99.200 -91.000 TYR 50 0.840 189.186 82.489 -74.026 -99.200 -91.000 TYR 52 0.840 187.294 71.062 -74.295 -99.200 -91.000 HIS 53 0.900 183.966 79.531 -69.856 -99.200 -91.000 PHE 56 1.000 178.377 77.589 -70.769 -99.200 -91.000 TYR 58 0.840 176.730 76.592 -81.663 -99.200 -91.000 PHE 59 1.000 177.222 72.433 -78.915 -99.200 -91.000 PHE 72 1.000 182.104 66.603 -72.497 -99.200 -91.000 PHE 73 1.000 181.667 70.530 -75.807 -99.200 -91.000 HIS 83 0.900 193.363 68.542 -67.156 -99.200 -91.000 TYR 90 0.840 206.617 69.679 -61.743 -99.200 -91.000 PHE 110 1.000 182.631 75.866 -81.431 -99.200 -91.000 HIS 112 0.900 179.915 69.847 -90.507 -99.200 -91.000 HIS 120 0.900 182.166 70.911 -86.465 -99.200 -91.000 HIS 140 0.900 207.773 61.153 -70.743 -99.200 -91.000 PHE 154 1.000 203.434 67.599 -62.695 -99.200 -91.000 TYR 159 0.840 199.114 67.426 -66.447 -99.200 -91.000 TYR 173 0.840 180.774 61.627 -73.912 -99.200 -91.000 HIS 184 0.900 163.239 60.630 -80.411 -99.200 -91.000 TRP 187 1.040 165.844 66.604 -76.790 -99.200 -91.000 TRP6 187 1.020 164.620 64.923 -75.665 -99.200 -91.000 HIS 188 0.900 166.987 58.630 -75.715 -99.200 -91.000 PHE 189 1.000 175.756 61.594 -76.656 -99.200 -91.000 HIS 195 0.900 168.949 64.115 -66.732 -99.200 -91.000