============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 21 0.840 68.292 -22.304 29.287 -99.200 -91.000 PHE 34 1.000 75.202 -15.338 47.600 -99.200 -91.000 HIS 50 0.900 60.120 -14.419 32.240 -99.200 -91.000 PHE 55 1.000 63.539 -25.440 28.335 -99.200 -91.000 TYR 67 0.840 76.624 -16.694 51.327 -99.200 -91.000 PHE 95 1.000 97.733 -14.548 47.989 -99.200 -91.000 TYR 111 0.840 71.889 -19.168 56.670 -99.200 -91.000 PHE 116 1.000 78.809 -34.206 45.897 -99.200 -91.000 HIS 130 0.900 91.004 -21.990 51.782 -99.200 -91.000 PHE 131 1.000 83.270 -25.053 50.717 -99.200 -91.000 HIS 139 0.900 88.735 -34.726 54.794 -99.200 -91.000 PHE 154 1.000 91.861 -39.195 26.767 -99.200 -91.000 PHE 157 1.000 89.218 -32.902 21.669 -99.200 -91.000 HIS 161 0.900 91.920 -41.653 14.786 -99.200 -91.000 PHE 162 1.000 89.592 -45.268 17.264 -99.200 -91.000 HIS 177 0.900 92.456 -28.116 36.916 -99.200 -91.000 PHE 197 1.000 89.962 -49.484 18.390 -99.200 -91.000 HIS 214 0.900 91.837 -31.186 19.985 -99.200 -91.000 TRP 219 1.040 92.474 -22.962 28.458 -99.200 -91.000 TRP6 219 1.020 94.680 -23.795 28.372 -99.200 -91.000 TYR 232 0.840 79.372 -19.472 27.724 -99.200 -91.000 PHE 233 1.000 76.778 -22.347 25.468 -99.200 -91.000 TYR 246 0.840 74.578 -35.687 47.128 -99.200 -91.000 PHE 259 1.000 91.205 -36.806 52.165 -99.200 -91.000 HIS 263 0.900 91.863 -46.028 46.125 -99.200 -91.000 TYR 264 0.840 94.753 -43.283 40.915 -99.200 -91.000 TYR 270 0.840 89.543 -32.686 48.866 -99.200 -91.000