============================================================================= 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 20.270 32.621 -19.235 -99.200 -91.000 PHE 35 1.000 26.529 25.345 -29.227 -99.200 -91.000 HIS 37 0.900 30.278 28.990 -31.550 -99.200 -91.000 HIS 40 0.900 28.424 21.773 -30.364 -99.200 -91.000 HIS 51 0.900 25.392 30.919 -35.777 -99.200 -91.000 HIS 52 0.900 17.900 28.966 -40.125 -99.200 -91.000 HIS 63 0.900 13.786 29.820 -34.847 -99.200 -91.000 TYR 73 0.840 4.176 33.794 -37.040 -99.200 -91.000 HIS 81 0.900 13.997 20.909 -27.411 -99.200 -91.000 HIS 101 0.900 23.796 16.811 -30.332 -99.200 -91.000 HIS 115 0.900 22.888 5.515 -31.288 -99.200 -91.000 TRP 126 1.040 18.308 12.639 -25.199 -99.200 -91.000 TRP6 126 1.020 16.648 14.076 -26.047 -99.200 -91.000 HIS 131 0.900 17.061 21.974 -21.469 -99.200 -91.000 TYR 179 0.840 36.633 -15.013 -24.024 -99.200 -91.000 TYR 190 0.840 21.050 -23.350 -38.567 -99.200 -91.000 PHE 195 1.000 27.139 -11.647 -28.991 -99.200 -91.000 HIS 197 0.900 28.026 -10.136 -23.699 -99.200 -91.000 HIS 200 0.900 29.972 -9.314 -31.663 -99.200 -91.000 PHE 217 1.000 23.283 13.947 -25.731 -99.200 -91.000 HIS 218 0.900 27.124 6.426 -26.102 -99.200 -91.000 HIS 229 0.900 22.033 -7.927 -22.240 -99.200 -91.000 HIS 230 0.900 15.456 -4.447 -26.497 -99.200 -91.000 HIS 245 0.900 11.858 -10.096 -27.326 -99.200 -91.000 TYR 263 0.840 18.553 -15.031 -29.157 -99.200 -91.000 HIS 264 0.900 17.617 -15.301 -37.222 -99.200 -91.000 HIS 271 0.900 26.478 -8.852 -37.447 -99.200 -91.000 HIS 288 0.900 22.297 -20.102 -36.742 -99.200 -91.000