============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. HIS 14 0.900 38.180 3.244 29.476 -99.200 -91.000 HIS 35 0.900 22.645 14.143 30.133 -99.200 -91.000 PHE 56 1.000 18.710 -3.593 27.706 -99.200 -91.000 PHE 65 1.000 7.921 -3.740 31.443 -99.200 -91.000 TYR 88 0.840 -7.425 -14.018 44.085 -99.200 -91.000 HIS 106 0.900 10.696 -10.833 45.536 -99.200 -91.000 TYR 111 0.840 15.211 -23.254 47.511 -99.200 -91.000 TYR 113 0.840 12.289 -21.228 39.886 -99.200 -91.000 PHE 118 1.000 20.001 -20.328 36.447 -99.200 -91.000 PHE 125 1.000 23.031 -19.824 28.787 -99.200 -91.000 PHE 133 1.000 12.207 -25.325 33.285 -99.200 -91.000 TYR 135 0.840 3.811 -18.632 34.138 -99.200 -91.000 HIS 145 0.900 14.946 -26.709 47.606 -99.200 -91.000 TYR 155 0.840 13.705 -8.527 50.064 -99.200 -91.000 TYR 157 0.840 14.837 -10.916 43.653 -99.200 -91.000 PHE 162 1.000 7.068 -10.184 41.238 -99.200 -91.000 HIS 175 0.900 -7.291 -11.787 27.974 -99.200 -91.000 TYR 181 0.840 4.298 -9.001 30.895 -99.200 -91.000 PHE 186 1.000 5.437 -5.284 26.433 -99.200 -91.000 PHE 195 1.000 9.933 -6.509 20.188 -99.200 -91.000 TYR 196 0.840 6.812 -12.894 28.472 -99.200 -91.000 HIS 198 0.900 8.128 -18.814 27.887 -99.200 -91.000 HIS 207 0.900 20.105 -9.578 18.865 -99.200 -91.000 TYR 211 0.840 29.381 -11.811 23.948 -99.200 -91.000 TRP 231 1.040 16.161 -19.107 33.178 -99.200 -91.000 TRP6 231 1.020 16.538 -17.324 34.678 -99.200 -91.000 PHE 248 1.000 7.286 -0.360 33.304 -99.200 -91.000 PHE 249 1.000 11.244 0.672 35.887 -99.200 -91.000 TRP 269 1.040 9.724 2.405 49.699 -99.200 -91.000 TRP6 269 1.020 9.837 1.526 47.508 -99.200 -91.000 TYR 278 0.840 11.228 -6.195 45.316 -99.200 -91.000 TYR 294 0.840 11.682 6.040 44.617 -99.200 -91.000 HIS 296 0.900 13.280 -5.582 40.050 -99.200 -91.000 TYR 303 0.840 21.682 -9.829 27.150 -99.200 -91.000 TYR 304 0.840 25.791 -8.393 35.977 -99.200 -91.000 TYR 306 0.840 22.700 -1.660 38.386 -99.200 -91.000 PHE 308 1.000 16.972 1.057 40.232 -99.200 -91.000 PHE 341 1.000 18.419 9.054 38.945 -99.200 -91.000