============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 21 0.840 16.244 38.246 78.461 -99.200 -91.000 PHE 34 1.000 0.826 25.909 71.847 -99.200 -91.000 HIS 50 0.900 21.775 31.465 70.298 -99.200 -91.000 PHE 55 1.000 20.739 36.411 81.420 -99.200 -91.000 TYR 67 0.840 -2.219 23.775 73.374 -99.200 -91.000 PHE 95 1.000 -18.470 38.684 72.991 -99.200 -91.000 TYR 111 0.840 -1.370 16.753 74.954 -99.200 -91.000 PHE 116 1.000 -0.817 28.565 90.832 -99.200 -91.000 HIS 130 0.900 -14.429 31.059 78.411 -99.200 -91.000 PHE 131 1.000 -7.279 27.391 81.675 -99.200 -91.000 HIS 139 0.900 -13.796 27.017 91.283 -99.200 -91.000 PHE 154 1.000 -2.308 52.174 96.265 -99.200 -91.000 PHE 157 1.000 2.086 55.028 89.728 -99.200 -91.000 HIS 161 0.900 4.009 62.512 98.452 -99.200 -91.000 PHE 162 1.000 4.860 59.292 101.973 -99.200 -91.000 HIS 177 0.900 -5.462 44.571 85.544 -99.200 -91.000 PHE 197 1.000 4.243 58.630 106.034 -99.200 -91.000 HIS 214 0.900 0.690 57.810 87.958 -99.200 -91.000 TRP 219 1.040 -5.426 50.501 81.050 -99.200 -91.000 TRP6 219 1.020 -5.715 50.164 78.714 -99.200 -91.000 TYR 232 0.840 7.110 44.837 76.066 -99.200 -91.000 PHE 233 1.000 10.575 45.623 78.699 -99.200 -91.000 TYR 246 0.840 2.307 25.350 92.044 -99.200 -91.000 PHE 259 1.000 -14.868 30.164 93.068 -99.200 -91.000 HIS 263 0.900 -12.116 34.560 102.737 -99.200 -91.000 TYR 264 0.840 -11.687 40.727 100.653 -99.200 -91.000 TYR 270 0.840 -11.304 32.160 89.525 -99.200 -91.000