============================================================================= 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. TYR 19 0.840 -15.592 -12.574 36.338 -99.200 -91.000 HIS 22 0.900 -15.756 -11.981 24.658 -99.200 -91.000 TRP 46 1.040 1.051 -7.140 43.413 -99.200 -91.000 TRP6 46 1.020 2.911 -6.897 41.973 -99.200 -91.000 PHE 53 1.000 6.741 -0.447 42.495 -99.200 -91.000 HIS 57 0.900 11.500 10.504 42.305 -99.200 -91.000 TYR 67 0.840 10.958 1.256 31.342 -99.200 -91.000 TRP 69 1.040 -0.181 -3.145 30.583 -99.200 -91.000 TRP6 69 1.020 -0.363 -2.942 28.236 -99.200 -91.000 PHE 75 1.000 5.881 -15.014 35.587 -99.200 -91.000 TRP 79 1.040 -0.760 -18.869 39.174 -99.200 -91.000 TRP6 79 1.020 0.825 -20.435 39.952 -99.200 -91.000 TYR 82 0.840 1.350 -24.697 36.676 -99.200 -91.000 HIS 84 0.900 -7.886 -20.770 37.179 -99.200 -91.000 TYR 91 0.840 -9.186 -19.159 33.639 -99.200 -91.000 PHE 92 1.000 -5.580 -14.311 26.579 -99.200 -91.000 PHE 106 1.000 -5.690 -12.645 18.714 -99.200 -91.000 TYR 107 0.840 -2.692 -20.692 15.876 -99.200 -91.000 TRP 114 1.040 -1.154 -22.547 24.695 -99.200 -91.000 TRP6 114 1.020 -2.918 -22.462 23.128 -99.200 -91.000 PHE 120 1.000 4.329 -20.036 34.680 -99.200 -91.000 PHE 130 1.000 2.563 -16.212 39.265 -99.200 -91.000 PHE 153 1.000 15.749 -1.898 39.956 -99.200 -91.000 TYR 160 0.840 10.257 -8.648 46.740 -99.200 -91.000 PHE 181 1.000 18.662 -17.912 41.354 -99.200 -91.000 TYR 182 0.840 20.929 -21.631 33.620 -99.200 -91.000 HIS 192 0.900 14.050 -8.778 29.678 -99.200 -91.000 HIS 199 0.900 6.639 -4.430 25.278 -99.200 -91.000 TYR 201 0.840 -1.095 -8.437 17.049 -99.200 -91.000 PHE 206 1.000 -2.442 3.583 20.857 -99.200 -91.000 PHE 216 1.000 -5.479 -0.597 21.116 -99.200 -91.000 PHE 241 1.000 17.341 -12.779 37.537 -99.200 -91.000 HIS 242 0.900 21.000 -17.444 34.308 -99.200 -91.000