============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 3 0.840 16.107 -16.087 41.444 -99.200 -91.000 PHE 29 1.000 23.224 -3.322 29.049 -99.200 -91.000 HIS 31 0.900 15.284 -6.494 36.750 -99.200 -91.000 PHE 35 1.000 16.728 -8.885 46.773 -99.200 -91.000 PHE 41 1.000 21.278 -13.912 54.327 -99.200 -91.000 HIS 50 0.900 26.805 -26.804 49.570 -99.200 -91.000 HIS 56 0.900 33.810 -22.393 54.552 -99.200 -91.000 TRP 60 1.040 39.207 -18.285 48.219 -99.200 -91.000 TRP6 60 1.020 38.225 -17.906 46.125 -99.200 -91.000 PHE 61 1.000 34.691 -13.695 46.459 -99.200 -91.000 TYR 70 0.840 38.859 -20.725 53.218 -99.200 -91.000 HIS 72 0.900 39.842 -28.009 45.661 -99.200 -91.000 TRP 79 1.040 35.166 -19.415 42.533 -99.200 -91.000 TRP6 79 1.020 35.240 -18.135 40.573 -99.200 -91.000 TRP 82 1.040 35.591 -20.895 35.119 -99.200 -91.000 TRP6 82 1.020 33.877 -21.945 36.339 -99.200 -91.000 TYR 93 0.840 35.045 -11.898 41.706 -99.200 -91.000 TRP 97 1.040 36.527 -7.534 46.685 -99.200 -91.000 TRP6 97 1.020 35.021 -8.694 48.062 -99.200 -91.000 TRP 100 1.040 43.895 -1.086 42.289 -99.200 -91.000 TRP6 100 1.020 41.895 -1.400 41.120 -99.200 -91.000 HIS 107 0.900 50.350 -4.845 46.109 -99.200 -91.000 TRP 132 1.040 36.604 -3.598 34.560 -99.200 -91.000 TRP6 132 1.020 35.718 -5.645 33.796 -99.200 -91.000 HIS 146 0.900 31.149 -11.108 42.775 -99.200 -91.000 PHE 148 1.000 32.197 0.966 40.834 -99.200 -91.000 PHE 149 1.000 31.702 -4.497 47.112 -99.200 -91.000 PHE 151 1.000 29.699 -1.632 51.677 -99.200 -91.000 TYR 152 0.840 22.624 6.517 50.904 -99.200 -91.000 TYR 163 0.840 26.902 -2.340 36.243 -99.200 -91.000 PHE 170 1.000 18.211 -22.930 38.014 -99.200 -91.000 PHE 175 1.000 25.928 -20.696 45.353 -99.200 -91.000 TYR 180 0.840 28.676 -8.517 46.534 -99.200 -91.000 HIS 185 0.900 22.325 -9.004 57.984 -99.200 -91.000 PHE 198 1.000 22.782 -6.773 47.288 -99.200 -91.000 TRP 200 1.040 22.079 -8.112 41.310 -99.200 -91.000 TRP6 200 1.020 20.968 -8.256 39.250 -99.200 -91.000 HIS 206 0.900 23.975 -14.140 31.300 -99.200 -91.000 TYR 208 0.840 24.762 -19.350 30.560 -99.200 -91.000 HIS 211 0.900 21.357 -22.935 33.674 -99.200 -91.000 HIS 216 0.900 9.494 -22.793 31.254 -99.200 -91.000 PHE 239 1.000 40.299 -7.509 56.812 -99.200 -91.000 TYR 241 0.840 32.393 -11.233 60.977 -99.200 -91.000 PHE 243 1.000 29.935 -23.024 57.550 -99.200 -91.000 PHE 246 1.000 28.937 -15.466 59.078 -99.200 -91.000 TYR 251 0.840 17.275 -21.957 52.957 -99.200 -91.000 HIS 254 0.900 8.904 -24.861 47.378 -99.200 -91.000