============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 16 1.000 -8.591 -8.807 -35.056 -99.200 -91.000 PHE 23 1.000 -3.081 -16.495 -32.711 -99.200 -91.000 HIS 30 0.900 0.348 -23.958 -39.482 -99.200 -91.000 PHE 43 1.000 7.470 -11.031 -14.988 -99.200 -91.000 PHE 45 1.000 7.824 -5.598 -10.530 -99.200 -91.000 PHE 52 1.000 6.458 -10.161 -8.511 -99.200 -91.000 TRP 72 1.040 -6.361 -3.234 -41.003 -99.200 -91.000 TRP6 72 1.020 -5.731 -5.427 -40.495 -99.200 -91.000 PHE 83 1.000 -7.342 -7.623 -25.487 -99.200 -91.000 HIS 84 0.900 -14.801 -6.693 -21.850 -99.200 -91.000 HIS 92 0.900 9.718 -19.840 -6.774 -99.200 -91.000 TYR 93 0.840 5.569 -14.311 -3.689 -99.200 -91.000 HIS 118 0.900 -12.775 -2.902 -20.149 -99.200 -91.000 HIS 120 0.900 -6.376 1.711 -27.365 -99.200 -91.000 TYR 125 0.840 -1.338 -2.723 -41.555 -99.200 -91.000 HIS 136 0.900 2.377 -13.710 -46.373 -99.200 -91.000 PHE 139 1.000 0.039 -7.642 -36.343 -99.200 -91.000 TYR 142 0.840 4.025 -4.998 -28.433 -99.200 -91.000 PHE 146 1.000 -2.030 -2.036 -16.644 -99.200 -91.000 PHE 154 1.000 -2.772 -7.595 -5.656 -99.200 -91.000 PHE 160 1.000 5.561 -9.630 5.563 -99.200 -91.000 PHE 173 1.000 -0.545 -1.687 2.043 -99.200 -91.000 TRP 178 1.040 -8.944 -3.020 -6.091 -99.200 -91.000 TRP6 178 1.020 -9.254 -2.441 -8.340 -99.200 -91.000 PHE 185 1.000 4.561 -2.255 -7.615 -99.200 -91.000 PHE 198 1.000 4.136 -7.280 -32.295 -99.200 -91.000 HIS 203 0.900 5.800 -18.096 -36.919 -99.200 -91.000 PHE 204 1.000 -2.596 -17.147 -38.058 -99.200 -91.000