============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 1 0.900 13.257 -17.257 95.644 -99.200 -91.000 HIS 3 0.900 21.994 -13.242 93.699 -99.200 -91.000 TYR 33 0.840 11.292 0.968 80.569 -99.200 -91.000 TYR 42 0.840 2.124 -1.038 72.925 -99.200 -91.000 PHE 53 1.000 1.880 -5.014 68.820 -99.200 -91.000 PHE 55 1.000 -0.147 -12.420 77.598 -99.200 -91.000 PHE 60 1.000 14.058 -8.615 76.589 -99.200 -91.000 PHE 64 1.000 16.668 -9.936 81.335 -99.200 -91.000 HIS 97 0.900 -6.850 -2.223 89.119 -99.200 -91.000 TYR 126 0.840 -7.161 5.101 85.311 -99.200 -91.000 HIS 131 0.900 -18.311 3.692 89.688 -99.200 -91.000 TYR 136 0.840 -23.174 4.266 97.317 -99.200 -91.000 HIS 140 0.900 -17.504 13.960 85.612 -99.200 -91.000 HIS 142 0.900 -14.025 14.076 80.000 -99.200 -91.000 TYR 160 0.840 1.460 22.124 69.220 -99.200 -91.000 HIS 186 0.900 4.567 9.343 76.770 -99.200 -91.000 TYR 187 0.840 -1.592 12.210 79.679 -99.200 -91.000 TYR 193 0.840 3.261 23.324 79.844 -99.200 -91.000 HIS 221 0.900 0.625 -9.383 102.088 -99.200 -91.000 HIS 233 0.900 18.103 0.326 88.723 -99.200 -91.000 PHE 235 1.000 16.346 1.873 82.359 -99.200 -91.000 PHE 236 1.000 17.633 -5.320 78.096 -99.200 -91.000 PHE 244 1.000 14.399 3.798 76.134 -99.200 -91.000 HIS 246 0.900 18.678 13.644 72.395 -99.200 -91.000 TRP 251 1.040 11.519 12.595 78.976 -99.200 -91.000 TRP6 251 1.020 9.693 11.097 78.868 -99.200 -91.000 TYR 254 0.840 19.928 8.895 86.029 -99.200 -91.000