============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 6 0.840 -0.115 -0.890 4.216 -99.200 -91.000 TYR 21 0.840 4.046 -2.982 8.533 -99.200 -91.000 PHE 23 1.000 7.494 7.714 12.309 -99.200 -91.000 TRP 28 1.040 -7.714 12.013 20.459 -99.200 -91.000 TRP6 28 1.020 -7.610 11.616 22.791 -99.200 -91.000 TYR 34 0.840 -10.670 8.496 37.731 -99.200 -91.000 TRP 41 1.040 -11.430 13.764 37.438 -99.200 -91.000 TRP6 41 1.020 -9.585 13.381 36.007 -99.200 -91.000 PHE 50 1.000 5.350 9.468 17.376 -99.200 -91.000 TYR 55 0.840 3.659 -3.950 18.483 -99.200 -91.000 HIS 57 0.900 4.034 2.410 19.956 -99.200 -91.000 PHE 63 1.000 -4.155 13.369 32.246 -99.200 -91.000 PHE 66 1.000 -10.685 19.308 38.640 -99.200 -91.000 PHE 78 1.000 -7.945 7.014 20.692 -99.200 -91.000 PHE 95 1.000 -6.552 -5.870 22.375 -99.200 -91.000 HIS 96 0.900 -11.038 -7.072 15.515 -99.200 -91.000 TYR 102 0.840 -0.813 -5.123 24.669 -99.200 -91.000 TYR 119 0.840 4.371 13.246 42.693 -99.200 -91.000 TRP 125 1.040 -5.691 -3.410 32.995 -99.200 -91.000 TRP6 125 1.020 -5.467 -3.534 35.345 -99.200 -91.000 TRP 129 1.040 -10.978 1.359 20.017 -99.200 -91.000 TRP6 129 1.020 -12.564 0.857 18.332 -99.200 -91.000 HIS 146 0.900 -7.217 12.037 45.693 -99.200 -91.000 TRP 151 1.040 -4.168 11.873 36.352 -99.200 -91.000 TRP6 151 1.020 -4.766 9.614 35.993 -99.200 -91.000 TYR 158 0.840 -4.354 0.274 21.143 -99.200 -91.000 PHE 162 1.000 -3.765 -7.794 10.434 -99.200 -91.000