============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TRP 3 1.040 -18.181 -1.426 6.642 -99.200 -91.000 TRP6 3 1.020 -19.420 -0.547 4.825 -99.200 -91.000 TRP 6 1.040 -22.017 -6.362 8.906 -99.200 -91.000 TRP6 6 1.020 -22.071 -4.310 10.080 -99.200 -91.000 HIS 8 0.900 -32.063 -8.365 9.209 -99.200 -91.000 TYR 44 0.840 -23.164 9.627 26.593 -99.200 -91.000 TYR 57 0.840 -27.748 -10.412 24.292 -99.200 -91.000 TYR 73 0.840 -22.763 7.640 21.253 -99.200 -91.000 TYR 77 0.840 -17.877 -0.909 11.460 -99.200 -91.000 PHE 79 1.000 -22.262 1.891 9.111 -99.200 -91.000 TRP 91 1.040 -31.359 18.454 7.117 -99.200 -91.000 TRP6 91 1.020 -31.170 16.987 8.960 -99.200 -91.000 HIS 96 0.900 -21.903 15.308 7.110 -99.200 -91.000 TRP 99 1.040 -18.984 14.996 13.627 -99.200 -91.000 TRP6 99 1.020 -18.418 13.492 11.899 -99.200 -91.000 HIS 103 0.900 -15.326 16.141 16.926 -99.200 -91.000 TYR 104 0.840 -10.735 24.865 13.668 -99.200 -91.000 PHE 110 1.000 -13.705 15.081 12.851 -99.200 -91.000 PHE 118 1.000 -15.854 4.637 15.636 -99.200 -91.000 TYR 124 0.840 -30.049 7.840 5.492 -99.200 -91.000 TYR 151 0.840 -30.460 13.783 -6.338 -99.200 -91.000 PHE 159 1.000 -20.448 14.897 -3.416 -99.200 -91.000 TYR 165 0.840 -30.105 3.753 5.199 -99.200 -91.000 TYR 168 0.840 -38.962 4.210 -1.321 -99.200 -91.000 TYR 172 0.840 -41.652 -3.416 -0.229 -99.200 -91.000 PHE 191 1.000 -25.761 0.040 4.482 -99.200 -91.000 TYR 192 0.840 -35.916 -0.633 0.857 -99.200 -91.000 TYR 208 0.840 -34.642 -6.125 -7.191 -99.200 -91.000 TYR 219 0.840 -38.829 -0.544 18.520 -99.200 -91.000 PHE 226 1.000 -35.738 -8.716 14.181 -99.200 -91.000