============================================================================= 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 17 1.000 -14.133 -19.775 4.581 -99.200 -91.000 PHE 35 1.000 -1.747 -14.044 2.751 -99.200 -91.000 HIS 37 0.900 0.921 -17.424 -1.080 -99.200 -91.000 HIS 40 0.900 0.686 -10.528 2.058 -99.200 -91.000 HIS 51 0.900 3.392 -21.173 4.015 -99.200 -91.000 HIS 52 0.900 5.906 -21.666 12.492 -99.200 -91.000 HIS 63 0.900 -0.482 -22.182 14.819 -99.200 -91.000 TYR 73 0.840 -2.986 -28.755 22.703 -99.200 -91.000 HIS 81 0.900 -5.905 -11.872 15.223 -99.200 -91.000 HIS 101 0.900 0.373 -6.723 7.638 -99.200 -91.000 HIS 115 0.900 2.820 3.576 11.582 -99.200 -91.000 TRP 126 1.040 -5.352 -2.555 12.628 -99.200 -91.000 TRP6 126 1.020 -5.278 -4.404 14.067 -99.200 -91.000 HIS 131 0.900 -10.893 -10.854 10.730 -99.200 -91.000 TYR 179 0.840 3.010 27.125 2.366 -99.200 -91.000 TYR 190 0.840 14.486 29.220 22.471 -99.200 -91.000 PHE 195 1.000 4.707 21.436 11.579 -99.200 -91.000 HIS 197 0.900 -0.333 21.248 8.958 -99.200 -91.000 HIS 200 0.900 7.594 19.152 8.819 -99.200 -91.000 PHE 217 1.000 -3.699 -3.040 7.757 -99.200 -91.000 HIS 218 0.900 -1.100 4.809 6.150 -99.200 -91.000 HIS 229 0.900 -3.623 18.217 14.011 -99.200 -91.000 HIS 230 0.900 -1.852 12.633 20.275 -99.200 -91.000 HIS 245 0.900 -1.008 17.089 25.259 -99.200 -91.000 TYR 263 0.840 3.346 22.865 20.638 -99.200 -91.000 HIS 264 0.900 10.775 21.173 23.244 -99.200 -91.000 HIS 271 0.900 12.112 16.692 13.283 -99.200 -91.000 HIS 288 0.900 12.419 26.729 19.695 -99.200 -91.000