============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 30 1.000 127.683 110.856 5.057 -99.200 -91.000 TYR 37 0.840 125.507 109.016 13.777 -99.200 -91.000 TRP 40 1.040 134.755 117.683 18.734 -99.200 -91.000 TRP6 40 1.020 137.060 117.324 19.092 -99.200 -91.000 TYR 41 0.840 130.838 113.178 24.695 -99.200 -91.000 TYR 54 0.840 123.813 116.958 18.805 -99.200 -91.000 TRP 55 1.040 123.921 113.864 14.730 -99.200 -91.000 TRP6 55 1.020 121.797 114.898 14.755 -99.200 -91.000 PHE 67 1.000 133.671 125.689 24.326 -99.200 -91.000 PHE 76 1.000 134.739 113.951 11.964 -99.200 -91.000 TYR 91 0.840 138.052 121.372 25.656 -99.200 -91.000 TYR 92 0.840 138.973 112.805 27.352 -99.200 -91.000 TYR 97 0.840 129.495 104.232 10.372 -99.200 -91.000 PHE 102 1.000 134.345 108.509 25.194 -99.200 -91.000 PHE 122 1.000 153.601 124.283 57.131 -99.200 -91.000 PHE 139 1.000 151.820 122.297 52.278 -99.200 -91.000 PHE 143 1.000 155.195 125.924 41.292 -99.200 -91.000 TYR 144 0.840 152.392 129.626 33.945 -99.200 -91.000 TRP 152 1.040 162.868 117.817 51.150 -99.200 -91.000 TRP6 152 1.020 161.830 118.810 53.030 -99.200 -91.000 TRP 167 1.040 154.754 119.672 40.254 -99.200 -91.000 TRP6 167 1.020 156.416 117.993 40.263 -99.200 -91.000 TYR 177 0.840 150.884 124.415 36.474 -99.200 -91.000 TYR 190 0.840 162.165 115.776 63.415 -99.200 -91.000 HIS 193 0.900 171.104 113.950 60.929 -99.200 -91.000 TYR 196 0.840 165.283 117.779 60.068 -99.200 -91.000 HIS 202 0.900 159.070 129.044 38.980 -99.200 -91.000 PHE 213 1.000 161.778 122.083 60.782 -99.200 -91.000