============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 6 1.000 43.542 75.013 41.724 -99.200 -91.000 TYR 16 0.840 44.411 92.793 40.511 -99.200 -91.000 TRP 18 1.040 46.144 87.759 50.422 -99.200 -91.000 TRP6 18 1.020 46.883 85.730 51.411 -99.200 -91.000 PHE 33 1.000 45.627 80.598 48.856 -99.200 -91.000 TRP 36 1.040 55.457 78.752 38.084 -99.200 -91.000 TRP6 36 1.020 57.092 80.445 37.872 -99.200 -91.000 TYR 40 0.840 54.273 73.854 47.759 -99.200 -91.000 PHE 43 1.000 51.797 81.169 49.606 -99.200 -91.000 TYR 47 0.840 49.905 79.074 56.051 -99.200 -91.000 PHE 52 1.000 52.527 84.708 52.983 -99.200 -91.000 PHE 72 1.000 47.622 75.081 38.057 -99.200 -91.000 PHE 76 1.000 55.592 71.383 32.716 -99.200 -91.000 TYR 92 0.840 59.097 72.874 38.259 -99.200 -91.000 TYR 98 0.840 55.215 69.248 39.121 -99.200 -91.000 HIS 108 0.900 36.475 63.888 41.825 -99.200 -91.000 TYR 111 0.840 40.608 69.043 50.104 -99.200 -91.000 HIS 119 0.900 44.329 81.578 33.784 -99.200 -91.000 TYR 139 0.840 52.602 85.852 19.293 -99.200 -91.000 TYR 148 0.840 46.028 74.612 25.701 -99.200 -91.000 TYR 156 0.840 43.407 67.918 31.380 -99.200 -91.000 PHE 157 1.000 41.103 72.160 38.105 -99.200 -91.000 TYR 172 0.840 46.770 96.511 31.375 -99.200 -91.000 HIS 173 0.900 41.060 99.100 27.423 -99.200 -91.000 TYR 182 0.840 50.258 93.555 29.112 -99.200 -91.000 TYR 202 0.840 28.032 77.473 21.269 -99.200 -91.000 HIS 203 0.900 32.479 74.971 22.198 -99.200 -91.000 TYR 208 0.840 30.501 70.032 30.328 -99.200 -91.000 PHE 232 1.000 53.190 99.081 32.293 -99.200 -91.000 TYR 235 0.840 53.066 106.571 32.391 -99.200 -91.000 TYR 239 0.840 47.325 108.134 31.945 -99.200 -91.000 TYR 243 0.840 45.740 112.238 33.511 -99.200 -91.000 PHE 261 1.000 27.483 90.163 40.669 -99.200 -91.000 TYR 276 0.840 37.515 96.909 30.201 -99.200 -91.000 PHE 285 1.000 40.608 109.703 21.706 -99.200 -91.000