============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 4 1.000 6.370 -26.508 -37.927 -99.200 -91.000 HIS 17 0.900 -0.906 -31.112 -49.609 -99.200 -91.000 HIS 25 0.900 2.643 -9.821 -35.726 -99.200 -91.000 HIS 44 0.900 -2.141 -8.741 -35.253 -99.200 -91.000 HIS 53 0.900 -11.085 -3.690 -37.076 -99.200 -91.000 PHE 54 1.000 -3.853 -0.602 -40.731 -99.200 -91.000 PHE 66 1.000 -8.152 -7.830 -41.678 -99.200 -91.000 PHE 73 1.000 -9.471 -6.878 -36.480 -99.200 -91.000 HIS 116 0.900 10.725 -11.482 -34.918 -99.200 -91.000 TYR 125 0.840 8.653 -15.512 -46.362 -99.200 -91.000 TYR 145 0.840 17.317 -12.061 -51.852 -99.200 -91.000 HIS 176 0.900 25.557 -9.081 -38.479 -99.200 -91.000 TYR 178 0.840 16.685 -0.579 -40.811 -99.200 -91.000 HIS 179 0.900 14.151 -5.107 -39.245 -99.200 -91.000 PHE 190 1.000 26.542 -2.759 -52.481 -99.200 -91.000 PHE 192 1.000 26.951 -4.060 -44.713 -99.200 -91.000 PHE 218 1.000 26.674 5.494 -52.952 -99.200 -91.000 PHE 220 1.000 21.684 2.710 -49.133 -99.200 -91.000 TRP 223 1.040 11.018 8.005 -46.269 -99.200 -91.000 TRP6 223 1.020 8.730 8.329 -46.757 -99.200 -91.000 TRP 243 1.040 22.063 15.580 -39.801 -99.200 -91.000 TRP6 243 1.020 22.127 13.900 -41.462 -99.200 -91.000 PHE 246 1.000 30.098 16.771 -36.705 -99.200 -91.000 TYR 255 0.840 20.853 10.646 -44.917 -99.200 -91.000 PHE 268 1.000 11.338 -14.843 -50.539 -99.200 -91.000