============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 13 0.840 16.826 11.095 46.578 -99.200 -91.000 HIS 20 0.900 1.295 13.367 36.253 -99.200 -91.000 TYR 29 0.840 5.841 18.216 40.989 -99.200 -91.000 TYR 32 0.840 14.721 12.004 52.102 -99.200 -91.000 HIS 43 0.900 10.418 21.760 61.781 -99.200 -91.000 PHE 46 1.000 10.630 27.868 53.169 -99.200 -91.000 TYR 48 0.840 6.829 23.989 50.053 -99.200 -91.000 TYR 58 0.840 21.335 15.109 40.339 -99.200 -91.000 TRP 68 1.040 28.394 27.553 38.027 -99.200 -91.000 TRP6 68 1.020 29.103 25.551 39.068 -99.200 -91.000 TYR 77 0.840 23.656 31.685 35.694 -99.200 -91.000 PHE 99 1.000 25.907 22.566 48.354 -99.200 -91.000 PHE 103 1.000 19.054 16.235 51.883 -99.200 -91.000 TYR 132 0.840 34.163 0.627 33.374 -99.200 -91.000 PHE 143 1.000 35.816 9.151 43.072 -99.200 -91.000 PHE 144 1.000 34.717 6.881 38.539 -99.200 -91.000 PHE 152 1.000 38.648 4.721 42.347 -99.200 -91.000 TRP 156 1.040 38.410 11.006 33.145 -99.200 -91.000 TRP6 156 1.020 36.111 11.458 32.818 -99.200 -91.000 TYR 158 0.840 35.641 1.908 29.182 -99.200 -91.000 PHE 167 1.000 30.806 9.560 30.411 -99.200 -91.000 TYR 185 0.840 26.163 0.937 31.290 -99.200 -91.000 TYR 187 0.840 24.258 4.850 36.039 -99.200 -91.000 TYR 196 0.840 13.690 3.926 44.588 -99.200 -91.000 TYR 217 0.840 22.326 12.937 47.941 -99.200 -91.000 TRP 251 1.040 9.355 8.994 50.697 -99.200 -91.000 TRP6 251 1.020 7.566 8.842 49.156 -99.200 -91.000 TRP 252 1.040 16.389 4.597 49.681 -99.200 -91.000 TRP6 252 1.020 15.892 6.905 49.618 -99.200 -91.000 TYR 253 0.840 16.022 0.585 52.879 -99.200 -91.000