============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 11 1.040 21.768 3.932 -1.775 -99.200 -91.000 TRP6 11 1.020 23.635 3.598 -3.203 -99.200 -91.000 PHE 27 1.000 20.558 7.718 -7.286 -99.200 -91.000 HIS 34 0.900 17.494 22.292 -7.446 -99.200 -91.000 PHE 44 1.000 31.649 1.420 7.369 -99.200 -91.000 HIS 46 0.900 27.427 -2.558 -1.411 -99.200 -91.000 HIS 56 0.900 24.649 15.056 -11.439 -99.200 -91.000 PHE 59 1.000 23.545 12.429 -7.276 -99.200 -91.000 PHE 73 1.000 39.367 0.982 18.784 -99.200 -91.000 PHE 85 1.000 38.036 3.310 -0.255 -99.200 -91.000 TRP 89 1.040 29.754 15.635 2.081 -99.200 -91.000 TRP6 89 1.020 27.827 16.833 2.834 -99.200 -91.000 HIS 94 0.900 19.478 6.130 10.681 -99.200 -91.000 TYR 100 0.840 17.821 -1.402 15.567 -99.200 -91.000 TYR 101 0.840 23.506 -1.675 15.202 -99.200 -91.000 PHE 120 1.000 35.324 12.134 7.448 -99.200 -91.000 TRP 158 1.040 27.600 24.517 15.649 -99.200 -91.000 TRP6 158 1.020 25.618 23.229 15.780 -99.200 -91.000 TYR 165 0.840 12.409 15.838 13.657 -99.200 -91.000 TRP 169 1.040 7.140 9.917 15.205 -99.200 -91.000 TRP6 169 1.020 5.760 10.749 13.454 -99.200 -91.000 HIS 186 0.900 13.387 20.180 9.585 -99.200 -91.000 TRP 192 1.040 18.893 24.518 22.185 -99.200 -91.000 TRP6 192 1.020 21.111 23.931 21.517 -99.200 -91.000 TYR 209 0.840 10.466 14.347 7.756 -99.200 -91.000 TYR 222 0.840 13.455 22.545 -0.272 -99.200 -91.000 PHE 230 1.000 12.800 16.473 1.690 -99.200 -91.000 PHE 241 1.000 18.244 10.584 -3.531 -99.200 -91.000