============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 3 0.840 19.886 2.116 0.410 -99.200 -91.000 HIS 10 0.900 26.429 -5.919 2.334 -99.200 -91.000 PHE 14 1.000 32.377 -10.086 0.032 -99.200 -91.000 TRP 15 1.040 35.553 -7.033 -1.969 -99.200 -91.000 TRP6 15 1.020 33.432 -6.490 -2.853 -99.200 -91.000 HIS 17 0.900 42.326 -6.164 5.608 -99.200 -91.000 HIS 18 0.900 40.340 -5.521 -1.850 -99.200 -91.000 PHE 23 1.000 33.415 7.225 -8.948 -99.200 -91.000 TRP 25 1.040 25.551 11.005 -12.134 -99.200 -91.000 TRP6 25 1.020 25.953 8.914 -11.094 -99.200 -91.000 PHE 37 1.000 22.548 5.045 -8.930 -99.200 -91.000 PHE 40 1.000 29.056 3.705 -2.227 -99.200 -91.000 HIS 46 0.900 48.367 -6.838 -4.469 -99.200 -91.000 TRP 51 1.040 40.011 -2.061 -11.780 -99.200 -91.000 TRP6 51 1.020 40.675 -0.055 -10.781 -99.200 -91.000 TYR 53 0.840 33.657 0.649 -11.895 -99.200 -91.000 PHE 61 1.000 12.442 4.849 -4.397 -99.200 -91.000 PHE 66 1.000 19.996 -4.570 -10.336 -99.200 -91.000 PHE 67 1.000 28.045 -7.933 -7.767 -99.200 -91.000 PHE 72 1.000 38.798 -2.514 -19.491 -99.200 -91.000 HIS 77 0.900 32.121 -1.406 -16.331 -99.200 -91.000 HIS 88 0.900 11.225 6.002 -16.105 -99.200 -91.000 TYR 89 0.840 10.243 0.836 -18.880 -99.200 -91.000 PHE 93 1.000 16.527 -2.831 -14.967 -99.200 -91.000 TRP 105 1.040 31.200 -6.164 -21.138 -99.200 -91.000 TRP6 105 1.020 32.270 -6.537 -19.054 -99.200 -91.000 PHE 111 1.000 31.153 -11.057 -24.536 -99.200 -91.000 HIS 113 0.900 21.709 -8.241 -25.151 -99.200 -91.000 PHE 114 1.000 25.881 -5.516 -17.671 -99.200 -91.000 TYR 120 0.840 25.469 -18.108 -9.089 -99.200 -91.000 TYR 122 0.840 32.724 -10.705 -5.670 -99.200 -91.000 TYR 128 0.840 19.293 -12.242 1.238 -99.200 -91.000 PHE 133 1.000 24.305 -4.768 -2.013 -99.200 -91.000 PHE 134 1.000 19.167 -9.961 -6.972 -99.200 -91.000 TRP 135 1.040 28.312 -10.961 -11.658 -99.200 -91.000 TRP6 135 1.020 28.896 -13.208 -12.016 -99.200 -91.000 PHE 146 1.000 20.368 -21.592 -24.828 -99.200 -91.000 HIS 150 0.900 17.253 -23.121 -25.896 -99.200 -91.000 PHE 159 1.000 26.320 -18.098 -18.831 -99.200 -91.000 TYR 166 0.840 33.624 -13.612 -13.292 -99.200 -91.000 TRP 176 1.040 26.098 -22.752 -33.883 -99.200 -91.000 TRP6 176 1.020 24.716 -24.435 -34.818 -99.200 -91.000