============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 3 0.840 32.808 23.285 6.136 -99.200 -91.000 TYR 7 0.840 16.817 21.557 4.036 -99.200 -91.000 PHE 8 1.000 13.698 19.259 -0.398 -99.200 -91.000 TRP 28 1.040 26.788 27.681 3.807 -99.200 -91.000 TRP6 28 1.020 27.002 29.439 5.362 -99.200 -91.000 TRP 38 1.040 12.648 15.388 -3.094 -99.200 -91.000 TRP6 38 1.020 14.833 14.696 -2.484 -99.200 -91.000 TYR 49 0.840 20.088 7.013 6.434 -99.200 -91.000 PHE 55 1.000 28.252 20.132 5.552 -99.200 -91.000 TYR 63 0.840 23.363 11.597 1.851 -99.200 -91.000 HIS 71 0.900 32.490 16.326 9.614 -99.200 -91.000 TYR 79 0.840 30.304 16.375 20.086 -99.200 -91.000 TYR 103 0.840 8.245 23.886 14.416 -99.200 -91.000 TYR 108 0.840 6.608 20.059 7.181 -99.200 -91.000 TYR 111 0.840 -0.205 25.603 12.339 -99.200 -91.000 TYR 118 0.840 4.207 21.807 19.544 -99.200 -91.000 PHE 129 1.000 15.770 22.110 25.582 -99.200 -91.000 PHE 142 1.000 28.739 30.299 24.851 -99.200 -91.000 PHE 150 1.000 26.632 18.947 18.517 -99.200 -91.000 TYR 153 0.840 26.409 27.904 16.642 -99.200 -91.000 HIS 162 0.900 9.190 25.190 19.397 -99.200 -91.000 PHE 173 1.000 10.029 28.551 30.407 -99.200 -91.000 TYR 179 0.840 21.150 29.787 24.913 -99.200 -91.000 PHE 192 1.000 22.674 32.634 8.276 -99.200 -91.000 TYR 198 0.840 17.189 33.040 9.852 -99.200 -91.000