============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 2 1.000 111.353 11.028 -14.617 -99.200 -91.000 HIS 8 0.900 120.054 -1.397 -5.093 -99.200 -91.000 TYR 32 0.840 104.690 14.269 -16.284 -99.200 -91.000 TYR 33 0.840 97.361 7.997 -16.277 -99.200 -91.000 TRP 36 1.040 103.930 0.113 -9.823 -99.200 -91.000 TRP6 36 1.020 105.908 0.074 -8.516 -99.200 -91.000 TYR 37 0.840 106.151 -2.113 -17.278 -99.200 -91.000 PHE 50 1.000 96.477 -0.365 -18.036 -99.200 -91.000 PHE 63 1.000 100.551 -9.061 -8.008 -99.200 -91.000 TYR 87 0.840 106.863 -7.841 -8.634 -99.200 -91.000 TYR 88 0.840 113.170 -3.926 -13.603 -99.200 -91.000 TYR 92 0.840 104.281 9.532 -19.100 -99.200 -91.000 TYR 95 0.840 113.285 13.771 -25.784 -99.200 -91.000 PHE 99 1.000 111.254 0.790 -18.307 -99.200 -91.000 PHE 120 1.000 124.904 -36.659 -17.712 -99.200 -91.000 PHE 141 1.000 121.428 -24.865 -5.893 -99.200 -91.000 TYR 142 0.840 114.834 -21.097 -1.082 -99.200 -91.000 TRP 150 1.040 134.872 -30.015 -10.552 -99.200 -91.000 TRP6 150 1.020 133.752 -31.690 -11.797 -99.200 -91.000 TYR 174 0.840 118.035 -19.807 -6.093 -99.200 -91.000 TYR 179 0.840 129.606 -27.029 -18.232 -99.200 -91.000 TRP 187 1.040 138.030 -39.860 -19.043 -99.200 -91.000 TRP6 187 1.020 136.747 -39.760 -17.054 -99.200 -91.000 HIS 190 0.900 144.313 -38.487 -11.812 -99.200 -91.000 TYR 193 0.840 139.401 -36.688 -13.105 -99.200 -91.000 HIS 199 0.900 121.786 -25.932 -0.153 -99.200 -91.000