============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 6 1.000 -2.304 66.514 121.930 -99.200 -91.000 HIS 26 0.900 16.329 72.528 127.267 -99.200 -91.000 TYR 35 0.840 5.188 77.177 125.833 -99.200 -91.000 TYR 39 0.840 6.675 67.645 117.518 -99.200 -91.000 PHE 86 1.000 10.832 55.482 114.037 -99.200 -91.000 PHE 91 1.000 2.456 41.883 109.919 -99.200 -91.000 HIS 109 0.900 4.193 63.963 113.481 -99.200 -91.000 PHE 138 1.000 -1.043 57.322 121.457 -99.200 -91.000 TYR 162 0.840 -3.808 60.789 104.258 -99.200 -91.000 PHE 171 1.000 2.808 68.497 111.036 -99.200 -91.000 TYR 181 0.840 -2.244 76.457 108.284 -99.200 -91.000 PHE 184 1.000 -5.028 71.547 103.233 -99.200 -91.000 PHE 199 1.000 16.296 80.062 111.311 -99.200 -91.000 PHE 205 1.000 0.723 82.255 108.705 -99.200 -91.000 HIS 214 0.900 -12.478 78.810 111.020 -99.200 -91.000 TYR 220 0.840 4.862 77.871 118.441 -99.200 -91.000 PHE 225 1.000 18.506 70.743 118.758 -99.200 -91.000 TYR 236 0.840 30.739 73.068 123.793 -99.200 -91.000 TYR 259 0.840 21.404 72.792 142.801 -99.200 -91.000 TYR 264 0.840 20.053 69.801 144.863 -99.200 -91.000 TYR 265 0.840 17.162 74.705 146.188 -99.200 -91.000 PHE 267 1.000 13.330 64.895 143.433 -99.200 -91.000