============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TYR 6 0.840 -7.661 -42.962 -14.154 -99.200 -91.000 TYR 11 0.840 2.931 -49.156 4.500 -99.200 -91.000 PHE 12 1.000 1.705 -56.051 1.333 -99.200 -91.000 TYR 18 0.840 2.041 -51.100 -6.813 -99.200 -91.000 TYR 22 0.840 -13.387 -52.159 -11.276 -99.200 -91.000 TRP 29 1.040 -8.620 -53.826 -10.948 -99.200 -91.000 TRP6 29 1.020 -8.410 -51.763 -9.798 -99.200 -91.000 TYR 52 0.840 -4.748 -31.523 -11.009 -99.200 -91.000 TYR 73 0.840 -2.194 -40.750 -15.801 -99.200 -91.000 TRP 80 1.040 1.849 -40.140 -12.787 -99.200 -91.000 TRP6 80 1.020 0.180 -39.254 -11.359 -99.200 -91.000 HIS 101 0.900 -10.994 -22.102 -8.300 -99.200 -91.000 TYR 103 0.840 -11.097 -24.674 -1.589 -99.200 -91.000 HIS 109 0.900 6.893 -30.736 7.865 -99.200 -91.000 HIS 113 0.900 -0.583 -34.124 15.016 -99.200 -91.000 HIS 114 0.900 0.481 -29.042 8.404 -99.200 -91.000 TYR 120 0.840 -3.022 -26.335 -8.646 -99.200 -91.000 TRP 127 1.040 -0.706 -25.817 -4.397 -99.200 -91.000 TRP6 127 1.020 -2.595 -26.996 -3.612 -99.200 -91.000 HIS 128 0.900 -2.343 -17.541 -4.132 -99.200 -91.000 TYR 150 0.840 -20.462 -29.846 4.109 -99.200 -91.000 PHE 155 1.000 -4.282 -38.712 16.549 -99.200 -91.000 TYR 167 0.840 -13.350 -22.059 2.857 -99.200 -91.000 TYR 168 0.840 -21.467 -21.704 4.467 -99.200 -91.000 TRP 174 1.040 -12.426 -23.631 7.441 -99.200 -91.000 TRP6 174 1.020 -12.865 -25.753 6.498 -99.200 -91.000 HIS 193 0.900 -28.294 -39.734 -5.286 -99.200 -91.000 TYR 197 0.840 -23.872 -41.944 1.753 -99.200 -91.000 TYR 202 0.840 -7.749 -47.300 15.314 -99.200 -91.000 TYR 214 0.840 -24.590 -32.738 8.128 -99.200 -91.000 TRP 221 1.040 -23.157 -36.377 11.054 -99.200 -91.000 TRP6 221 1.020 -21.734 -37.007 9.256 -99.200 -91.000 PHE 223 1.000 -24.221 -45.107 13.201 -99.200 -91.000 HIS 229 0.900 -13.749 -57.436 3.388 -99.200 -91.000 HIS 230 0.900 -15.379 -54.347 11.533 -99.200 -91.000 HIS 239 0.900 -18.585 -45.152 -12.706 -99.200 -91.000 TYR 244 0.840 -17.919 -48.402 -7.753 -99.200 -91.000 TYR 249 0.840 -3.945 -52.605 9.560 -99.200 -91.000 HIS 252 0.900 -5.293 -61.213 10.138 -99.200 -91.000 PHE 254 1.000 -1.041 -53.217 5.456 -99.200 -91.000 TYR 261 0.840 -25.026 -47.521 0.597 -99.200 -91.000 TRP 268 1.040 -21.958 -50.777 2.254 -99.200 -91.000 TRP6 268 1.020 -20.341 -49.350 1.276 -99.200 -91.000