============================================================================= 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 14.295 -16.295 -4.918 -99.200 -91.000 PHE 35 1.000 1.911 -10.640 -3.129 -99.200 -91.000 HIS 37 0.900 -0.740 -14.006 0.629 -99.200 -91.000 HIS 40 0.900 -0.500 -7.121 -2.394 -99.200 -91.000 HIS 51 0.900 -3.065 -17.728 -4.505 -99.200 -91.000 HIS 52 0.900 -5.626 -18.222 -13.015 -99.200 -91.000 HIS 63 0.900 0.769 -18.604 -15.255 -99.200 -91.000 TYR 73 0.840 3.392 -25.061 -23.089 -99.200 -91.000 HIS 81 0.900 6.120 -8.322 -15.633 -99.200 -91.000 HIS 101 0.900 -0.220 -3.286 -7.975 -99.200 -91.000 HIS 115 0.900 -2.886 7.080 -11.803 -99.200 -91.000 TRP 126 1.040 5.384 1.032 -13.059 -99.200 -91.000 TRP6 126 1.020 5.286 -0.901 -14.444 -99.200 -91.000 HIS 131 0.900 11.018 -7.246 -11.070 -99.200 -91.000 TYR 179 0.840 -3.331 30.769 -2.148 -99.200 -91.000 TYR 190 0.840 -14.674 33.018 -21.845 -99.200 -91.000 PHE 195 1.000 -4.748 24.964 -11.284 -99.200 -91.000 HIS 197 0.900 0.235 24.699 -8.626 -99.200 -91.000 HIS 200 0.900 -7.688 22.647 -8.690 -99.200 -91.000 PHE 217 1.000 3.776 0.433 -8.168 -99.200 -91.000 HIS 218 0.900 1.067 8.291 -6.394 -99.200 -91.000 HIS 229 0.900 3.525 21.933 -13.814 -99.200 -91.000 HIS 230 0.900 1.766 16.575 -20.220 -99.200 -91.000 HIS 245 0.900 0.897 21.141 -25.100 -99.200 -91.000 TYR 263 0.840 -3.497 26.699 -20.263 -99.200 -91.000 HIS 264 0.900 -10.917 25.070 -22.979 -99.200 -91.000 HIS 271 0.900 -12.181 20.291 -13.182 -99.200 -91.000 HIS 288 0.900 -12.536 30.458 -19.226 -99.200 -91.000