============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 15 1.040 -3.108 -3.931 -36.979 -99.200 -91.000 TRP6 15 1.020 -4.431 -2.154 -37.826 -99.200 -91.000 PHE 21 1.000 5.630 -4.563 -31.722 -99.200 -91.000 HIS 34 0.900 5.686 26.554 -34.481 -99.200 -91.000 HIS 51 0.900 6.974 -2.896 -18.915 -99.200 -91.000 HIS 67 0.900 10.604 3.912 -25.437 -99.200 -91.000 PHE 93 1.000 11.284 8.622 -22.542 -99.200 -91.000 HIS 105 0.900 12.470 23.265 -9.413 -99.200 -91.000 PHE 110 1.000 6.398 13.291 -16.219 -99.200 -91.000 PHE 130 1.000 2.763 7.563 -37.379 -99.200 -91.000 HIS 138 0.900 -4.921 6.022 -30.675 -99.200 -91.000 HIS 139 0.900 1.613 10.438 -34.005 -99.200 -91.000 PHE 140 1.000 4.945 4.145 -26.246 -99.200 -91.000 PHE 146 1.000 9.522 -0.366 -31.872 -99.200 -91.000 TYR 149 0.840 10.617 8.556 -44.648 -99.200 -91.000 PHE 176 1.000 24.922 6.360 -21.088 -99.200 -91.000 TYR 180 0.840 26.804 8.314 -16.870 -99.200 -91.000 PHE 198 1.000 17.158 -4.755 -5.187 -99.200 -91.000 PHE 229 1.000 23.969 -12.811 -11.144 -99.200 -91.000 TYR 246 0.840 21.609 -15.204 -1.128 -99.200 -91.000 PHE 264 1.000 24.019 7.183 -2.709 -99.200 -91.000 PHE 266 1.000 20.797 3.788 -8.062 -99.200 -91.000 TYR 286 0.840 24.030 6.404 6.503 -99.200 -91.000 TRP 314 1.040 10.941 4.650 -2.322 -99.200 -91.000 TRP6 314 1.020 8.886 3.769 -1.598 -99.200 -91.000 PHE 319 1.000 16.140 11.182 -21.549 -99.200 -91.000 PHE 322 1.000 21.141 13.182 -17.914 -99.200 -91.000 PHE 335 1.000 29.397 6.779 -28.306 -99.200 -91.000 PHE 340 1.000 28.150 8.382 -22.694 -99.200 -91.000 HIS 348 0.900 21.298 -10.771 -29.371 -99.200 -91.000 PHE 352 1.000 10.841 -1.491 -38.734 -99.200 -91.000 PHE 359 1.000 9.478 -5.598 -29.006 -99.200 -91.000 PHE 374 1.000 13.646 1.896 -38.930 -99.200 -91.000