============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 9 1.040 -14.233 -12.745 -36.791 -99.200 -91.000 TRP6 9 1.020 -14.245 -10.372 -36.653 -99.200 -91.000 TYR 13 0.840 -10.134 -1.504 -34.363 -99.200 -91.000 TYR 16 0.840 -18.374 4.794 -36.974 -99.200 -91.000 TRP 17 1.040 -17.489 6.659 -29.458 -99.200 -91.000 TRP6 17 1.020 -18.450 5.345 -27.730 -99.200 -91.000 TYR 30 0.840 -5.775 -6.720 -39.527 -99.200 -91.000 TRP 32 1.040 -4.750 -10.779 -36.454 -99.200 -91.000 TRP6 32 1.020 -3.902 -8.693 -35.693 -99.200 -91.000 PHE 33 1.000 -12.449 -10.770 -32.174 -99.200 -91.000 TYR 35 0.840 -15.034 -16.332 -32.609 -99.200 -91.000 PHE 46 1.000 -9.603 1.212 -24.694 -99.200 -91.000 TRP 49 1.040 -6.558 7.057 -22.905 -99.200 -91.000 TRP6 49 1.020 -6.676 5.385 -21.223 -99.200 -91.000 TYR 56 0.840 -1.499 8.000 -21.090 -99.200 -91.000 TRP 59 1.040 -1.027 1.130 -30.820 -99.200 -91.000 TRP6 59 1.020 0.341 -0.619 -29.966 -99.200 -91.000 TRP 72 1.040 1.304 -9.024 -22.225 -99.200 -91.000 TRP6 72 1.020 1.863 -8.212 -24.404 -99.200 -91.000 TYR 78 0.840 2.272 7.366 -29.671 -99.200 -91.000 PHE 99 1.000 -10.590 -11.280 -23.358 -99.200 -91.000 PHE 103 1.000 -12.157 -7.239 -26.087 -99.200 -91.000 HIS 116 0.900 -32.824 -11.253 -40.885 -99.200 -91.000 TRP 130 1.040 -28.494 -11.837 -37.635 -99.200 -91.000 TRP6 130 1.020 -30.249 -13.408 -37.348 -99.200 -91.000 TYR 132 0.840 -26.347 -8.960 -29.585 -99.200 -91.000 TYR 143 0.840 -26.571 -3.586 -39.017 -99.200 -91.000 PHE 168 1.000 -15.658 -5.462 -36.825 -99.200 -91.000 PHE 181 1.000 -4.517 -15.035 -31.996 -99.200 -91.000