============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 -18.979 34.789 37.332 -99.200 -91.000 TYR 18 0.840 -12.754 45.163 23.299 -99.200 -91.000 TYR 24 0.840 -4.152 38.547 19.972 -99.200 -91.000 TYR 25 0.840 -9.952 41.878 14.989 -99.200 -91.000 HIS 31 0.900 -15.864 35.075 23.352 -99.200 -91.000 PHE 68 1.000 -17.985 37.855 32.975 -99.200 -91.000 TYR 89 0.840 -9.640 26.436 41.942 -99.200 -91.000 PHE 105 1.000 -12.296 36.138 31.325 -99.200 -91.000 PHE 115 1.000 3.116 34.510 34.845 -99.200 -91.000 TRP 127 1.040 0.212 34.904 51.162 -99.200 -91.000 TRP6 127 1.020 -0.230 33.252 49.582 -99.200 -91.000 TRP 139 1.040 -0.113 39.927 33.544 -99.200 -91.000 TRP6 139 1.020 -0.085 39.453 35.859 -99.200 -91.000 TYR 140 0.840 4.229 45.473 37.301 -99.200 -91.000 PHE 154 1.000 -2.732 35.090 42.896 -99.200 -91.000 TRP 159 1.040 -12.726 40.442 47.175 -99.200 -91.000 TRP6 159 1.020 -12.447 39.290 45.161 -99.200 -91.000 TYR 162 0.840 -10.035 43.636 41.742 -99.200 -91.000