============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 2 1.000 -10.730 -9.583 -0.496 -99.200 -91.000 HIS 10 0.900 -13.605 4.648 0.122 -99.200 -91.000 HIS 14 0.900 -21.635 13.254 5.938 -99.200 -91.000 PHE 15 1.000 -25.222 6.226 5.052 -99.200 -91.000 HIS 39 0.900 -15.552 -24.692 18.850 -99.200 -91.000 TRP 44 1.040 -23.637 -15.555 11.973 -99.200 -91.000 TRP6 44 1.020 -21.345 -16.043 11.718 -99.200 -91.000 PHE 46 1.000 -25.718 -10.987 10.171 -99.200 -91.000 TYR 61 0.840 -22.388 6.032 23.702 -99.200 -91.000 PHE 65 1.000 -29.311 11.921 17.043 -99.200 -91.000 PHE 78 1.000 -29.034 -7.361 19.006 -99.200 -91.000 PHE 99 1.000 -24.882 -30.410 10.921 -99.200 -91.000 TYR 106 0.840 -18.098 -30.592 17.048 -99.200 -91.000 PHE 107 1.000 -22.391 -28.487 15.029 -99.200 -91.000 PHE 114 1.000 -19.617 -23.507 22.296 -99.200 -91.000 TYR 117 0.840 -15.205 -21.928 25.350 -99.200 -91.000 TYR 125 0.840 -16.812 -19.266 20.307 -99.200 -91.000 PHE 153 1.000 -23.609 -0.453 19.652 -99.200 -91.000 PHE 168 1.000 -30.186 -14.568 20.034 -99.200 -91.000 TYR 178 0.840 -27.582 2.292 -3.078 -99.200 -91.000 TYR 187 0.840 -1.149 6.040 8.350 -99.200 -91.000