============================================================================= 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. TRP 8 1.040 33.479 9.801 -8.748 -99.200 -91.000 TRP6 8 1.020 34.622 7.810 -9.326 -99.200 -91.000 TYR 18 0.840 53.244 8.664 0.334 -99.200 -91.000 TRP 25 1.040 37.036 1.295 -10.039 -99.200 -91.000 TRP6 25 1.020 36.703 -0.235 -11.810 -99.200 -91.000 PHE 42 1.000 42.817 2.893 2.592 -99.200 -91.000 HIS 49 0.900 31.526 -1.745 -2.797 -99.200 -91.000 TYR 58 0.840 43.184 -0.148 -6.261 -99.200 -91.000 TYR 62 0.840 46.810 9.089 -6.197 -99.200 -91.000 PHE 63 1.000 55.779 9.327 -5.040 -99.200 -91.000 HIS 66 0.900 43.662 7.221 -9.694 -99.200 -91.000 TRP 67 1.040 41.667 8.192 -14.948 -99.200 -91.000 TRP6 67 1.020 42.354 6.068 -14.161 -99.200 -91.000 TRP 90 1.040 49.799 -1.097 1.911 -99.200 -91.000 TRP6 90 1.020 48.588 -2.783 0.768 -99.200 -91.000 TRP 100 1.040 38.618 -9.162 0.625 -99.200 -91.000 TRP6 100 1.020 40.868 -9.517 1.279 -99.200 -91.000 TYR 104 0.840 52.342 -1.710 -3.562 -99.200 -91.000 TRP 107 1.040 46.854 3.157 -13.101 -99.200 -91.000 TRP6 107 1.020 45.696 1.932 -14.764 -99.200 -91.000 PHE 108 1.000 54.517 1.585 -15.452 -99.200 -91.000 TYR 118 0.840 47.017 6.391 -15.975 -99.200 -91.000 TRP 127 1.040 46.416 -9.126 -8.092 -99.200 -91.000 TRP6 127 1.020 44.382 -10.329 -8.103 -99.200 -91.000 TRP 130 1.040 44.633 -14.526 -2.887 -99.200 -91.000 TRP6 130 1.020 46.933 -14.109 -3.264 -99.200 -91.000 TRP 151 1.040 56.845 -11.844 -7.108 -99.200 -91.000 TRP6 151 1.020 55.456 -10.727 -5.562 -99.200 -91.000 TRP 154 1.040 48.014 -14.585 -13.109 -99.200 -91.000 TRP6 154 1.020 46.053 -15.824 -13.586 -99.200 -91.000 TYR 155 0.840 49.999 -9.143 -22.065 -99.200 -91.000 TRP 158 1.040 42.165 -6.502 -20.748 -99.200 -91.000 TRP6 158 1.020 42.314 -6.250 -18.398 -99.200 -91.000 TRP 160 1.040 45.195 -0.845 -19.050 -99.200 -91.000 TRP6 160 1.020 43.024 0.094 -18.951 -99.200 -91.000 TYR 162 0.840 45.569 -7.132 -15.326 -99.200 -91.000 TYR 165 0.840 55.093 -8.843 -12.550 -99.200 -91.000 PHE 182 1.000 57.598 -7.037 -8.231 -99.200 -91.000 TYR 191 0.840 53.799 -9.002 -20.942 -99.200 -91.000 TRP 196 1.040 54.867 3.383 -23.472 -99.200 -91.000 TRP6 196 1.020 53.643 1.365 -23.305 -99.200 -91.000 TYR 197 0.840 56.738 10.729 -20.057 -99.200 -91.000 HIS 199 0.900 51.231 9.236 -16.531 -99.200 -91.000 PHE 205 1.000 43.002 -3.130 1.366 -99.200 -91.000 TRP 208 1.040 36.023 -8.636 -8.171 -99.200 -91.000 TRP6 208 1.020 38.315 -8.677 -7.583 -99.200 -91.000 PHE 219 1.000 51.594 4.076 -0.670 -99.200 -91.000