============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TRP 12 1.040 30.099 -18.948 72.096 -99.200 -91.000 TRP6 12 1.020 29.062 -20.905 72.933 -99.200 -91.000 TRP 14 1.040 23.977 -16.660 74.106 -99.200 -91.000 TRP6 14 1.020 23.391 -18.661 72.988 -99.200 -91.000 HIS 21 0.900 30.743 9.716 77.395 -99.200 -91.000 TYR 24 0.840 38.021 3.091 74.734 -99.200 -91.000 TRP 25 1.040 30.068 5.334 73.680 -99.200 -91.000 TRP6 25 1.020 28.533 5.484 75.474 -99.200 -91.000 HIS 27 0.900 33.409 -5.848 77.689 -99.200 -91.000 PHE 28 1.000 29.919 -1.398 82.130 -99.200 -91.000 HIS 35 0.900 11.507 -9.865 75.136 -99.200 -91.000 TRP 38 1.040 13.046 -7.017 78.649 -99.200 -91.000 TRP6 38 1.020 13.104 -5.641 80.569 -99.200 -91.000 HIS 44 0.900 29.733 -8.030 89.569 -99.200 -91.000 HIS 64 0.900 38.132 -10.168 65.667 -99.200 -91.000 TYR 66 0.840 36.409 -1.678 72.714 -99.200 -91.000 TYR 67 0.840 39.211 -3.819 65.851 -99.200 -91.000 HIS 80 0.900 16.561 -9.835 93.444 -99.200 -91.000 PHE 83 1.000 24.736 -6.480 93.856 -99.200 -91.000 TYR 84 0.840 25.904 -2.744 99.860 -99.200 -91.000 HIS 106 0.900 26.765 -13.042 63.698 -99.200 -91.000 HIS 108 0.900 19.349 -17.145 68.094 -99.200 -91.000 PHE 119 1.000 21.091 -25.674 83.864 -99.200 -91.000 TRP 126 1.040 30.772 -25.098 75.607 -99.200 -91.000 TRP6 126 1.020 32.842 -25.060 74.474 -99.200 -91.000 TRP 130 1.040 34.424 -9.491 73.375 -99.200 -91.000 TRP6 130 1.020 32.075 -9.458 73.637 -99.200 -91.000 PHE 141 1.000 40.871 -4.793 72.125 -99.200 -91.000 HIS 154 0.900 28.004 -31.319 97.701 -99.200 -91.000 TYR 160 0.840 35.356 -19.991 96.317 -99.200 -91.000 HIS 161 0.900 33.814 -23.076 103.815 -99.200 -91.000 TYR 165 0.840 43.174 -17.358 108.615 -99.200 -91.000 TRP 203 1.040 23.915 -23.896 72.648 -99.200 -91.000 TRP6 203 1.020 25.728 -24.655 73.957 -99.200 -91.000 TRP 211 1.040 30.941 -14.325 94.316 -99.200 -91.000 TRP6 211 1.020 32.296 -15.296 95.995 -99.200 -91.000 TYR 224 0.840 30.154 -19.042 86.149 -99.200 -91.000 TYR 229 0.840 17.452 -18.350 95.086 -99.200 -91.000 TYR 230 0.840 18.180 -14.519 92.493 -99.200 -91.000 TRP 233 1.040 13.920 -9.361 90.254 -99.200 -91.000 TRP6 233 1.020 15.682 -8.946 88.731 -99.200 -91.000 HIS 235 0.900 10.083 -16.143 83.472 -99.200 -91.000 HIS 236 0.900 7.576 -10.373 89.991 -99.200 -91.000 TYR 237 0.840 11.038 -6.198 86.800 -99.200 -91.000