============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. HIS 3 0.900 66.742 71.719 17.800 -99.200 -91.000 PHE 8 1.000 55.477 75.239 18.502 -99.200 -91.000 PHE 42 1.000 33.253 73.269 23.970 -99.200 -91.000 PHE 48 1.000 36.629 86.425 19.991 -99.200 -91.000 TYR 50 0.840 33.860 79.720 9.942 -99.200 -91.000 HIS 59 0.900 24.470 81.703 29.591 -99.200 -91.000 TYR 83 0.840 26.512 91.441 37.202 -99.200 -91.000 TYR 84 0.840 33.608 91.737 28.652 -99.200 -91.000 PHE 98 1.000 36.658 84.065 43.198 -99.200 -91.000 TYR 100 0.840 31.240 93.613 41.491 -99.200 -91.000 TRP 103 1.040 27.152 87.988 33.413 -99.200 -91.000 TRP6 103 1.020 29.274 88.255 32.391 -99.200 -91.000 TYR 104 0.840 29.635 82.683 34.943 -99.200 -91.000 HIS 108 0.900 23.940 79.642 34.613 -99.200 -91.000 TYR 135 0.840 36.088 69.252 14.734 -99.200 -91.000 PHE 138 1.000 42.796 68.608 21.436 -99.200 -91.000 PHE 139 1.000 37.855 66.864 21.265 -99.200 -91.000 HIS 145 0.900 48.499 57.292 20.209 -99.200 -91.000 PHE 150 1.000 38.847 67.829 34.989 -99.200 -91.000 PHE 152 1.000 37.523 73.119 36.210 -99.200 -91.000 TYR 170 0.840 31.086 63.577 25.941 -99.200 -91.000 HIS 171 0.900 36.182 60.002 20.058 -99.200 -91.000 PHE 180 1.000 27.316 68.478 32.777 -99.200 -91.000 PHE 182 1.000 17.487 69.240 31.716 -99.200 -91.000 PHE 191 1.000 22.282 76.079 34.581 -99.200 -91.000 HIS 197 0.900 33.277 82.402 39.413 -99.200 -91.000 PHE 199 1.000 37.583 86.702 37.218 -99.200 -91.000 HIS 202 0.900 42.751 76.428 44.319 -99.200 -91.000 TYR 211 0.840 40.094 63.256 35.220 -99.200 -91.000 PHE 212 1.000 42.573 66.362 37.757 -99.200 -91.000 HIS 241 0.900 58.862 67.092 31.977 -99.200 -91.000 TYR 247 0.840 43.746 78.511 21.229 -99.200 -91.000 TYR 259 0.840 45.807 86.063 28.019 -99.200 -91.000 TYR 262 0.840 47.413 80.730 29.260 -99.200 -91.000