============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 7 0.840 50.843 55.110 29.331 -99.200 -91.000 HIS 40 0.900 52.838 41.258 24.192 -99.200 -91.000 PHE 41 1.000 52.233 32.130 22.822 -99.200 -91.000 HIS 42 0.900 53.719 30.881 27.369 -99.200 -91.000 PHE 45 1.000 47.520 32.784 22.154 -99.200 -91.000 PHE 74 1.000 58.475 35.392 34.990 -99.200 -91.000 TRP 114 1.040 54.681 46.328 16.402 -99.200 -91.000 TRP6 114 1.020 56.259 44.570 16.553 -99.200 -91.000 PHE 138 1.000 55.659 17.293 24.188 -99.200 -91.000 PHE 148 1.000 48.156 30.902 17.718 -99.200 -91.000 HIS 165 0.900 58.730 28.570 18.338 -99.200 -91.000 PHE 167 1.000 63.810 36.374 18.922 -99.200 -91.000 PHE 175 1.000 65.082 19.370 21.579 -99.200 -91.000 PHE 180 1.000 67.646 9.488 22.018 -99.200 -91.000 PHE 182 1.000 57.318 11.748 16.929 -99.200 -91.000 PHE 224 1.000 61.757 38.298 14.370 -99.200 -91.000 TYR 228 0.840 59.906 28.676 12.684 -99.200 -91.000 PHE 229 1.000 58.270 31.300 8.900 -99.200 -91.000 PHE 246 1.000 57.793 21.767 3.934 -99.200 -91.000 TYR 262 0.840 54.809 33.899 6.439 -99.200 -91.000 PHE 269 1.000 58.804 35.993 9.928 -99.200 -91.000 PHE 270 1.000 61.735 40.726 9.129 -99.200 -91.000 PHE 273 1.000 56.800 38.485 14.639 -99.200 -91.000