============================================================================= 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. TRP 3 1.040 1.450 19.522 64.916 -99.200 -91.000 TRP6 3 1.020 3.109 21.205 64.793 -99.200 -91.000 PHE 8 1.000 5.298 21.381 69.979 -99.200 -91.000 PHE 19 1.000 -11.234 16.430 82.944 -99.200 -91.000 TYR 23 0.840 3.485 21.622 81.582 -99.200 -91.000 PHE 32 1.000 3.631 30.471 66.911 -99.200 -91.000 PHE 40 1.000 -1.736 14.062 83.423 -99.200 -91.000 HIS 47 0.900 -19.794 13.855 75.444 -99.200 -91.000 HIS 58 0.900 -12.702 22.539 61.412 -99.200 -91.000 HIS 61 0.900 -13.772 37.489 66.526 -99.200 -91.000 TYR 68 0.840 -1.607 28.415 66.942 -99.200 -91.000 TYR 70 0.840 -6.046 16.415 66.915 -99.200 -91.000 PHE 71 1.000 1.565 16.786 70.283 -99.200 -91.000 HIS 72 0.900 -3.190 9.943 69.175 -99.200 -91.000 TYR 78 0.840 1.496 15.709 74.425 -99.200 -91.000 TYR 83 0.840 1.949 33.243 76.247 -99.200 -91.000 TYR 90 0.840 -9.961 33.682 89.042 -99.200 -91.000 PHE 99 1.000 -12.212 43.973 85.239 -99.200 -91.000 TYR 107 0.840 -11.750 43.226 79.755 -99.200 -91.000 TYR 117 0.840 -16.160 33.526 63.909 -99.200 -91.000 HIS 119 0.900 -24.405 32.959 69.937 -99.200 -91.000 HIS 125 0.900 -17.207 29.120 75.872 -99.200 -91.000 PHE 146 1.000 -14.217 28.096 72.038 -99.200 -91.000 TRP 148 1.040 -18.496 22.131 80.428 -99.200 -91.000 TRP6 148 1.020 -20.166 20.526 80.945 -99.200 -91.000 HIS 151 0.900 -21.510 22.554 65.752 -99.200 -91.000 TYR 162 0.840 -19.155 32.549 86.078 -99.200 -91.000 HIS 173 0.900 -28.324 23.769 76.316 -99.200 -91.000 TRP 180 1.040 -27.989 33.292 82.940 -99.200 -91.000 TRP6 180 1.020 -29.964 33.897 84.058 -99.200 -91.000 TYR 187 0.840 -24.263 41.604 89.869 -99.200 -91.000 PHE 189 1.000 -16.015 41.107 82.895 -99.200 -91.000 PHE 196 1.000 -28.366 35.085 89.107 -99.200 -91.000 TYR 201 0.840 -25.030 22.217 92.236 -99.200 -91.000 TYR 205 0.840 -31.682 24.126 90.321 -99.200 -91.000 PHE 213 1.000 -30.530 40.669 88.522 -99.200 -91.000 PHE 215 1.000 -28.576 45.504 89.197 -99.200 -91.000 PHE 218 1.000 -20.246 49.186 93.004 -99.200 -91.000 HIS 233 0.900 -37.362 30.962 83.655 -99.200 -91.000 HIS 247 0.900 -28.044 49.221 77.218 -99.200 -91.000 TRP 249 1.040 -23.431 51.356 81.095 -99.200 -91.000 TRP6 249 1.020 -22.056 49.428 80.993 -99.200 -91.000