============================================================================= 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 9 1.000 28.543 23.633 13.361 -99.200 -91.000 TYR 13 0.840 35.180 17.621 15.538 -99.200 -91.000 HIS 25 0.900 22.323 21.809 -0.602 -99.200 -91.000 PHE 32 1.000 17.972 32.428 16.056 -99.200 -91.000 PHE 39 1.000 14.272 37.590 9.279 -99.200 -91.000 TYR 41 0.840 19.785 31.297 8.850 -99.200 -91.000 TYR 42 0.840 15.972 35.637 4.120 -99.200 -91.000 PHE 53 1.000 4.413 32.107 5.776 -99.200 -91.000 HIS 68 0.900 5.567 37.608 11.307 -99.200 -91.000 PHE 80 1.000 8.728 35.781 17.869 -99.200 -91.000 TRP 94 1.040 -3.285 22.307 10.061 -99.200 -91.000 TRP6 94 1.020 -2.657 22.137 12.336 -99.200 -91.000 PHE 95 1.000 -0.870 28.853 5.185 -99.200 -91.000 PHE 103 1.000 -2.645 21.179 4.135 -99.200 -91.000 TYR 105 0.840 2.870 21.134 10.773 -99.200 -91.000 TYR 108 0.840 6.020 31.497 14.079 -99.200 -91.000 PHE 118 1.000 13.020 32.734 23.813 -99.200 -91.000 TYR 124 0.840 10.594 23.536 12.376 -99.200 -91.000 PHE 131 1.000 6.333 14.633 4.167 -99.200 -91.000 PHE 132 1.000 -1.240 15.144 3.868 -99.200 -91.000 PHE 138 1.000 -0.520 7.655 -13.172 -99.200 -91.000