============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 33 1.000 41.203 18.714 19.470 -99.200 -91.000 HIS 41 0.900 50.961 18.908 15.150 -99.200 -91.000 HIS 49 0.900 54.938 26.506 4.358 -99.200 -91.000 TYR 55 0.840 52.999 42.892 3.085 -99.200 -91.000 TYR 66 0.840 39.045 16.995 23.344 -99.200 -91.000 PHE 81 1.000 32.020 9.005 12.394 -99.200 -91.000 TRP 92 1.040 24.754 12.507 2.964 -99.200 -91.000 TRP6 92 1.020 23.770 14.653 2.894 -99.200 -91.000 HIS 111 0.900 37.820 17.942 26.781 -99.200 -91.000 PHE 120 1.000 29.548 33.987 18.328 -99.200 -91.000 HIS 136 0.900 22.345 26.983 25.419 -99.200 -91.000 HIS 138 0.900 25.767 17.657 27.766 -99.200 -91.000 TYR 160 0.840 26.061 31.368 -8.620 -99.200 -91.000 TYR 161 0.840 21.388 26.728 -7.436 -99.200 -91.000 HIS 176 0.900 15.129 36.837 5.172 -99.200 -91.000 HIS 181 0.900 21.892 22.801 6.471 -99.200 -91.000 TYR 191 0.840 9.205 37.461 4.705 -99.200 -91.000 PHE 201 1.000 13.536 41.939 -11.075 -99.200 -91.000 PHE 216 1.000 11.296 28.740 -3.770 -99.200 -91.000 HIS 230 0.900 34.349 16.522 -4.617 -99.200 -91.000 TYR 234 0.840 35.713 20.071 -0.018 -99.200 -91.000 TYR 248 0.840 32.230 37.262 18.734 -99.200 -91.000 TYR 266 0.840 9.826 32.671 13.553 -99.200 -91.000 HIS 268 0.900 7.661 25.939 17.354 -99.200 -91.000 PHE 272 1.000 20.238 26.660 20.405 -99.200 -91.000 PHE 300 1.000 10.082 28.494 12.552 -99.200 -91.000