data_nef_c18944_2m34 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 SER start . . 2 A 2 ALA middle . . 3 A 3 PRO middle . false 4 A 4 GLY middle . false 5 A 5 GLY middle . false 6 A 6 LYS middle . . 7 A 7 SER middle . . 8 A 8 ARG middle . . 9 A 9 ARG middle . . 10 A 10 ARG middle . . 11 A 11 ARG middle . . 12 A 12 THR middle . . 13 A 13 ALA middle . . 14 A 14 PHE middle . . 15 A 15 THR middle . . 16 A 16 SER middle . . 17 A 17 GLU middle . . 18 A 18 GLN middle . . 19 A 19 LEU middle . . 20 A 20 LEU middle . . 21 A 21 GLU middle . . 22 A 22 LEU middle . . 23 A 23 GLU middle . . 24 A 24 LYS middle . . 25 A 25 GLU middle . . 26 A 26 PHE middle . . 27 A 27 HIS middle . . 28 A 28 CYS middle . . 29 A 29 LYS middle . . 30 A 30 LYS middle . . 31 A 31 TYR middle . . 32 A 32 LEU middle . . 33 A 33 SER middle . . 34 A 34 LEU middle . . 35 A 35 THR middle . . 36 A 36 GLU middle . . 37 A 37 ARG middle . . 38 A 38 SER middle . . 39 A 39 GLN middle . . 40 A 40 ILE middle . . 41 A 41 ALA middle . . 42 A 42 HIS middle . . 43 A 43 ALA middle . . 44 A 44 LEU middle . . 45 A 45 LYS middle . . 46 A 46 LEU middle . . 47 A 47 SER middle . . 48 A 48 GLU middle . . 49 A 49 VAL middle . . 50 A 50 GLN middle . . 51 A 51 VAL middle . . 52 A 52 LYS middle . . 53 A 53 ILE middle . . 54 A 54 TRP middle . . 55 A 55 PHE middle . . 56 A 56 GLN middle . . 57 A 57 ASN middle . . 58 A 58 ARG middle . . 59 A 59 ARG middle . . 60 A 60 ALA middle . . 61 A 61 LYS middle . . 62 A 62 TRP middle . . 63 A 63 LYS middle . . 64 A 64 ARG middle . . 65 A 65 ILE middle . . 66 A 66 LYS middle . . 67 A 67 ALA middle . . 68 A 68 GLY middle . false 69 A 69 ASN middle . . 70 A 70 VAL middle . . 71 A 71 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 3 PRO HA H 1 4.440 0.023 A 3 PRO HB2 H 1 2.041 0.023 A 3 PRO HB3 H 1 2.041 0.023 A 3 PRO HD2 H 1 3.677 0.023 A 3 PRO HD3 H 1 3.836 0.023 A 3 PRO HG2 H 1 2.019 0.023 A 3 PRO HG3 H 1 2.019 0.023 A 3 PRO CA C 13 63.301 0.141 A 3 PRO CB C 13 31.870 0.141 A 3 PRO CD C 13 50.364 0.141 A 4 GLY H H 1 8.536 0.023 A 4 GLY HA2 H 1 3.979 0.023 A 4 GLY HA3 H 1 3.979 0.023 A 4 GLY CA C 13 45.244 0.141 A 4 GLY N N 15 109.613 0.102 A 5 GLY H H 1 8.298 0.023 A 5 GLY HA2 H 1 3.986 0.023 A 5 GLY HA3 H 1 3.986 0.023 A 5 GLY CA C 13 45.252 0.141 A 5 GLY N N 15 108.797 0.102 A 6 LYS H H 1 8.313 0.023 A 6 LYS HA H 1 3.947 0.023 A 6 LYS HB2 H 1 1.777 0.023 A 6 LYS HB3 H 1 1.777 0.023 A 6 LYS CA C 13 57.258 0.141 A 6 LYS CB C 13 32.910 0.141 A 6 LYS N N 15 120.988 0.102 A 7 SER H H 1 8.345 0.023 A 7 SER HA H 1 4.420 0.023 A 7 SER HB2 H 1 3.859 0.023 A 7 SER HB3 H 1 3.887 0.023 A 7 SER CA C 13 58.338 0.141 A 7 SER CB C 13 63.540 0.141 A 7 SER N N 15 116.912 0.102 A 8 ARG H H 1 8.410 0.023 A 8 ARG HA H 1 4.339 0.023 A 8 ARG HB2 H 1 1.850 0.023 A 8 ARG HB3 H 1 1.850 0.023 A 8 ARG HD2 H 1 3.202 0.023 A 8 ARG HD3 H 1 3.202 0.023 A 8 ARG CA C 13 56.038 0.141 A 8 ARG CB C 13 30.596 0.141 A 8 ARG CD C 13 43.307 0.141 A 8 ARG N N 15 123.496 0.102 A 9 ARG H H 1 8.340 0.023 A 9 ARG HA H 1 4.308 0.023 A 9 ARG HB2 H 1 1.616 0.023 A 9 ARG HB3 H 1 1.661 0.023 A 9 ARG HD2 H 1 3.195 0.023 A 9 ARG HD3 H 1 3.195 0.023 A 9 ARG HG2 H 1 1.654 0.023 A 9 ARG HG3 H 1 1.654 0.023 A 9 ARG CA C 13 55.979 0.141 A 9 ARG CB C 13 30.700 0.141 A 9 ARG CD C 13 43.377 0.141 A 9 ARG CG C 13 27.227 0.141 A 9 ARG N N 15 122.569 0.102 A 10 ARG H H 1 8.457 0.023 A 10 ARG HA H 1 4.328 0.023 A 10 ARG HB2 H 1 1.765 0.023 A 10 ARG HB3 H 1 1.834 0.023 A 10 ARG CA C 13 55.926 0.141 A 10 ARG CB C 13 30.821 0.141 A 10 ARG N N 15 123.464 0.102 A 11 ARG H H 1 8.540 0.023 A 11 ARG HA H 1 4.389 0.023 A 11 ARG HB2 H 1 1.765 0.023 A 11 ARG HB3 H 1 1.834 0.023 A 11 ARG CA C 13 55.969 0.141 A 11 ARG CB C 13 30.839 0.141 A 11 ARG N N 15 123.477 0.102 A 12 THR H H 1 8.249 0.023 A 12 THR HA H 1 4.289 0.023 A 12 THR HB H 1 4.154 0.023 A 12 THR HG2% H 1 1.133 0.023 A 12 THR CA C 13 61.393 0.141 A 12 THR CB C 13 69.660 0.141 A 12 THR CG2 C 13 21.606 0.141 A 12 THR N N 15 116.338 0.102 A 13 ALA H H 1 8.275 0.023 A 13 ALA HA H 1 4.305 0.023 A 13 ALA HB% H 1 1.279 0.023 A 13 ALA CA C 13 52.024 0.141 A 13 ALA CB C 13 19.654 0.141 A 13 ALA N N 15 127.182 0.102 A 14 PHE H H 1 8.060 0.023 A 14 PHE HA H 1 4.963 0.023 A 14 PHE HB2 H 1 2.827 0.023 A 14 PHE HB3 H 1 3.192 0.023 A 14 PHE HD1 H 1 7.144 0.023 A 14 PHE HD2 H 1 7.262 0.023 A 14 PHE HE1 H 1 7.443 0.023 A 14 PHE HE2 H 1 7.443 0.023 A 14 PHE CA C 13 56.258 0.141 A 14 PHE CB C 13 40.719 0.141 A 14 PHE CD1 C 13 131.322 0.141 A 14 PHE CD2 C 13 131.322 0.141 A 14 PHE CE1 C 13 129.219 0.141 A 14 PHE CE2 C 13 129.219 0.141 A 14 PHE N N 15 118.661 0.102 A 15 THR H H 1 9.139 0.023 A 15 THR HA H 1 4.522 0.023 A 15 THR HB H 1 4.808 0.023 A 15 THR HG2% H 1 1.305 0.023 A 15 THR CA C 13 60.272 0.141 A 15 THR CB C 13 70.919 0.141 A 15 THR CG2 C 13 21.777 0.141 A 15 THR N N 15 113.672 0.102 A 16 SER H H 1 9.094 0.023 A 16 SER HA H 1 3.934 0.023 A 16 SER HB2 H 1 4.134 0.023 A 16 SER HB3 H 1 4.134 0.023 A 16 SER CA C 13 62.071 0.141 A 16 SER CB C 13 61.814 0.141 A 16 SER N N 15 116.722 0.102 A 17 GLU H H 1 8.673 0.023 A 17 GLU HA H 1 4.022 0.023 A 17 GLU HB2 H 1 1.959 0.023 A 17 GLU HB3 H 1 2.067 0.023 A 17 GLU HG2 H 1 2.363 0.023 A 17 GLU HG3 H 1 2.291 0.023 A 17 GLU CA C 13 60.127 0.141 A 17 GLU CB C 13 29.108 0.141 A 17 GLU CG C 13 36.714 0.141 A 17 GLU N N 15 120.784 0.102 A 18 GLN H H 1 7.748 0.023 A 18 GLN HA H 1 3.809 0.023 A 18 GLN HB2 H 1 2.632 0.023 A 18 GLN HB3 H 1 1.534 0.023 A 18 GLN HE21 H 1 6.569 0.023 A 18 GLN HE22 H 1 7.673 0.023 A 18 GLN HG2 H 1 2.645 0.023 A 18 GLN HG3 H 1 2.341 0.023 A 18 GLN CA C 13 58.961 0.141 A 18 GLN CB C 13 27.980 0.141 A 18 GLN CG C 13 34.931 0.141 A 18 GLN N N 15 118.707 0.102 A 18 GLN NE2 N 15 111.082 0.102 A 19 LEU H H 1 8.109 0.023 A 19 LEU HA H 1 3.629 0.023 A 19 LEU HB2 H 1 1.838 0.023 A 19 LEU HB3 H 1 1.524 0.023 A 19 LEU HD1% H 1 0.778 0.023 A 19 LEU HD2% H 1 0.921 0.023 A 19 LEU HG H 1 1.718 0.023 A 19 LEU CA C 13 57.795 0.141 A 19 LEU CB C 13 41.611 0.141 A 19 LEU CD1 C 13 23.407 0.141 A 19 LEU CD2 C 13 25.322 0.141 A 19 LEU CG C 13 26.951 0.141 A 19 LEU N N 15 117.129 0.102 A 20 LEU H H 1 7.948 0.023 A 20 LEU HA H 1 4.002 0.023 A 20 LEU HB2 H 1 1.621 0.023 A 20 LEU HB3 H 1 1.834 0.023 A 20 LEU HD1% H 1 0.892 0.023 A 20 LEU HD2% H 1 0.878 0.023 A 20 LEU HG H 1 1.715 0.023 A 20 LEU CA C 13 58.003 0.141 A 20 LEU CB C 13 41.958 0.141 A 20 LEU CD1 C 13 24.933 0.141 A 20 LEU CD2 C 13 23.974 0.141 A 20 LEU CG C 13 26.932 0.141 A 20 LEU N N 15 119.459 0.102 A 21 GLU H H 1 7.564 0.023 A 21 GLU HA H 1 4.086 0.023 A 21 GLU HB2 H 1 1.984 0.023 A 21 GLU HB3 H 1 2.082 0.023 A 21 GLU HG2 H 1 2.428 0.023 A 21 GLU HG3 H 1 2.297 0.023 A 21 GLU CA C 13 58.430 0.141 A 21 GLU CB C 13 29.672 0.141 A 21 GLU CG C 13 35.114 0.141 A 21 GLU N N 15 118.593 0.102 A 22 LEU H H 1 8.148 0.023 A 22 LEU HA H 1 3.516 0.023 A 22 LEU HB2 H 1 0.560 0.023 A 22 LEU HB3 H 1 -0.936 0.023 A 22 LEU HD1% H 1 -0.525 0.023 A 22 LEU HD2% H 1 1.120 0.023 A 22 LEU HG H 1 0.439 0.023 A 22 LEU CA C 13 58.229 0.141 A 22 LEU CB C 13 37.996 0.141 A 22 LEU CD1 C 13 24.059 0.141 A 22 LEU CD2 C 13 25.939 0.141 A 22 LEU CG C 13 22.589 0.141 A 22 LEU N N 15 122.405 0.102 A 23 GLU H H 1 7.853 0.023 A 23 GLU HA H 1 4.282 0.023 A 23 GLU HB2 H 1 2.150 0.023 A 23 GLU HB3 H 1 2.032 0.023 A 23 GLU HG2 H 1 2.565 0.023 A 23 GLU HG3 H 1 2.332 0.023 A 23 GLU CA C 13 58.816 0.141 A 23 GLU CB C 13 28.954 0.141 A 23 GLU CG C 13 34.574 0.141 A 23 GLU N N 15 118.202 0.102 A 24 LYS H H 1 7.828 0.023 A 24 LYS HA H 1 4.026 0.023 A 24 LYS HB2 H 1 1.985 0.023 A 24 LYS HB3 H 1 1.985 0.023 A 24 LYS HD2 H 1 1.680 0.023 A 24 LYS HD3 H 1 1.680 0.023 A 24 LYS HE2 H 1 2.990 0.023 A 24 LYS HE3 H 1 2.990 0.023 A 24 LYS HG2 H 1 1.650 0.023 A 24 LYS HG3 H 1 1.372 0.023 A 24 LYS CA C 13 59.854 0.141 A 24 LYS CB C 13 32.290 0.141 A 24 LYS CD C 13 29.657 0.141 A 24 LYS CE C 13 42.154 0.141 A 24 LYS CG C 13 24.936 0.141 A 24 LYS N N 15 120.955 0.102 A 25 GLU H H 1 8.153 0.023 A 25 GLU HA H 1 4.259 0.023 A 25 GLU HB2 H 1 2.317 0.023 A 25 GLU HB3 H 1 2.317 0.023 A 25 GLU HG2 H 1 2.574 0.023 A 25 GLU HG3 H 1 2.574 0.023 A 25 GLU CA C 13 58.720 0.141 A 25 GLU CB C 13 28.575 0.141 A 25 GLU CG C 13 34.333 0.141 A 25 GLU N N 15 120.791 0.102 A 26 PHE H H 1 7.404 0.023 A 26 PHE HA H 1 4.492 0.023 A 26 PHE HB2 H 1 3.252 0.023 A 26 PHE HB3 H 1 3.199 0.023 A 26 PHE HD1 H 1 6.955 0.023 A 26 PHE HD2 H 1 6.955 0.023 A 26 PHE HE1 H 1 6.859 0.023 A 26 PHE HE2 H 1 6.859 0.023 A 26 PHE HZ H 1 6.441 0.023 A 26 PHE CA C 13 56.446 0.141 A 26 PHE CB C 13 41.822 0.141 A 26 PHE CD2 C 13 132.463 0.141 A 26 PHE CE1 C 13 130.174 0.141 A 26 PHE CZ C 13 128.555 0.141 A 26 PHE N N 15 115.094 0.102 A 27 HIS H H 1 8.057 0.023 A 27 HIS HA H 1 4.053 0.023 A 27 HIS HB2 H 1 3.313 0.023 A 27 HIS HB3 H 1 3.313 0.023 A 27 HIS HD2 H 1 7.267 0.023 A 27 HIS CA C 13 58.490 0.141 A 27 HIS CB C 13 28.830 0.141 A 27 HIS CD2 C 13 120.275 0.141 A 27 HIS N N 15 115.592 0.102 A 28 CYS H H 1 7.972 0.023 A 28 CYS HA H 1 4.025 0.023 A 28 CYS HB2 H 1 3.136 0.023 A 28 CYS HB3 H 1 3.136 0.023 A 28 CYS CA C 13 58.623 0.141 A 28 CYS CB C 13 29.921 0.141 A 28 CYS N N 15 116.364 0.102 A 29 LYS H H 1 8.521 0.023 A 29 LYS HA H 1 4.300 0.023 A 29 LYS HB2 H 1 1.649 0.023 A 29 LYS HB3 H 1 1.743 0.023 A 29 LYS HG2 H 1 1.362 0.023 A 29 LYS HG3 H 1 1.362 0.023 A 29 LYS CA C 13 56.241 0.141 A 29 LYS CB C 13 35.189 0.141 A 29 LYS CG C 13 24.928 0.141 A 29 LYS N N 15 122.054 0.102 A 30 LYS H H 1 7.830 0.023 A 30 LYS HA H 1 3.703 0.023 A 30 LYS HB2 H 1 1.458 0.023 A 30 LYS HB3 H 1 0.946 0.023 A 30 LYS HD2 H 1 -0.180 0.023 A 30 LYS HD3 H 1 -0.065 0.023 A 30 LYS HE2 H 1 1.962 0.023 A 30 LYS HE3 H 1 1.686 0.023 A 30 LYS HG2 H 1 0.344 0.023 A 30 LYS HG3 H 1 0.664 0.023 A 30 LYS CA C 13 55.817 0.141 A 30 LYS CB C 13 32.454 0.141 A 30 LYS CD C 13 27.508 0.141 A 30 LYS CE C 13 41.460 0.141 A 30 LYS CG C 13 23.938 0.141 A 30 LYS N N 15 118.250 0.102 A 31 TYR H H 1 7.294 0.023 A 31 TYR HA H 1 4.480 0.023 A 31 TYR HB2 H 1 2.921 0.023 A 31 TYR HB3 H 1 2.659 0.023 A 31 TYR HD1 H 1 7.108 0.023 A 31 TYR HD2 H 1 7.108 0.023 A 31 TYR HE1 H 1 6.867 0.023 A 31 TYR HE2 H 1 6.867 0.023 A 31 TYR CA C 13 56.372 0.141 A 31 TYR CB C 13 41.159 0.141 A 31 TYR CD1 C 13 133.515 0.141 A 31 TYR CD2 C 13 133.515 0.141 A 31 TYR CE1 C 13 117.962 0.141 A 31 TYR CE2 C 13 117.930 0.141 A 31 TYR N N 15 112.854 0.102 A 32 LEU H H 1 8.426 0.023 A 32 LEU HA H 1 4.710 0.023 A 32 LEU HB2 H 1 1.315 0.023 A 32 LEU HB3 H 1 1.523 0.023 A 32 LEU HD1% H 1 0.431 0.023 A 32 LEU HD2% H 1 0.056 0.023 A 32 LEU HG H 1 0.655 0.023 A 32 LEU CA C 13 52.902 0.141 A 32 LEU CB C 13 44.626 0.141 A 32 LEU CD1 C 13 22.636 0.141 A 32 LEU CD2 C 13 26.442 0.141 A 32 LEU CG C 13 26.529 0.141 A 32 LEU N N 15 122.615 0.102 A 33 SER H H 1 9.322 0.023 A 33 SER HA H 1 4.583 0.023 A 33 SER HB2 H 1 3.966 0.023 A 33 SER HB3 H 1 4.397 0.023 A 33 SER CA C 13 56.483 0.141 A 33 SER CB C 13 65.258 0.141 A 33 SER N N 15 119.224 0.102 A 34 LEU H H 1 8.808 0.023 A 34 LEU HA H 1 3.977 0.023 A 34 LEU HB2 H 1 1.681 0.023 A 34 LEU HB3 H 1 1.761 0.023 A 34 LEU HD1% H 1 0.945 0.023 A 34 LEU HD2% H 1 0.908 0.023 A 34 LEU HG H 1 1.698 0.023 A 34 LEU CA C 13 58.871 0.141 A 34 LEU CB C 13 41.363 0.141 A 34 LEU CD1 C 13 24.485 0.141 A 34 LEU CD2 C 13 24.000 0.141 A 34 LEU CG C 13 27.310 0.141 A 34 LEU N N 15 121.601 0.102 A 35 THR H H 1 8.104 0.023 A 35 THR HA H 1 3.944 0.023 A 35 THR HB H 1 4.028 0.023 A 35 THR HG2% H 1 1.213 0.023 A 35 THR CA C 13 65.721 0.141 A 35 THR CB C 13 68.367 0.141 A 35 THR CG2 C 13 21.836 0.141 A 35 THR N N 15 113.816 0.102 A 36 GLU H H 1 7.691 0.023 A 36 GLU HA H 1 3.977 0.023 A 36 GLU HB2 H 1 1.846 0.023 A 36 GLU HB3 H 1 2.249 0.023 A 36 GLU HG2 H 1 2.246 0.023 A 36 GLU HG3 H 1 2.246 0.023 A 36 GLU CA C 13 58.878 0.141 A 36 GLU CB C 13 30.407 0.141 A 36 GLU CG C 13 37.131 0.141 A 36 GLU N N 15 123.125 0.102 A 37 ARG H H 1 8.726 0.023 A 37 ARG HA H 1 3.756 0.023 A 37 ARG HB2 H 1 1.859 0.023 A 37 ARG HB3 H 1 1.859 0.023 A 37 ARG HD2 H 1 3.518 0.023 A 37 ARG HD3 H 1 3.165 0.023 A 37 ARG HG2 H 1 1.341 0.023 A 37 ARG HG3 H 1 1.654 0.023 A 37 ARG CA C 13 60.021 0.141 A 37 ARG CB C 13 30.855 0.141 A 37 ARG CD C 13 43.883 0.141 A 37 ARG CG C 13 27.792 0.141 A 37 ARG N N 15 119.258 0.102 A 38 SER H H 1 8.039 0.023 A 38 SER HA H 1 4.073 0.023 A 38 SER HB2 H 1 3.956 0.023 A 38 SER HB3 H 1 4.006 0.023 A 38 SER CA C 13 61.865 0.141 A 38 SER CB C 13 62.685 0.141 A 38 SER N N 15 113.573 0.102 A 39 GLN H H 1 8.033 0.023 A 39 GLN HA H 1 4.115 0.023 A 39 GLN HB2 H 1 2.150 0.023 A 39 GLN HB3 H 1 2.241 0.023 A 39 GLN HE21 H 1 6.822 0.023 A 39 GLN HE22 H 1 7.443 0.023 A 39 GLN HG2 H 1 2.548 0.023 A 39 GLN HG3 H 1 2.410 0.023 A 39 GLN CA C 13 59.085 0.141 A 39 GLN CB C 13 28.167 0.141 A 39 GLN CG C 13 33.921 0.141 A 39 GLN N N 15 121.912 0.102 A 39 GLN NE2 N 15 111.416 0.102 A 40 ILE H H 1 8.205 0.023 A 40 ILE HA H 1 3.879 0.023 A 40 ILE HB H 1 1.746 0.023 A 40 ILE HD1% H 1 0.744 0.023 A 40 ILE HG12 H 1 1.686 0.023 A 40 ILE HG13 H 1 1.072 0.023 A 40 ILE HG2% H 1 0.864 0.023 A 40 ILE CA C 13 64.361 0.141 A 40 ILE CB C 13 38.129 0.141 A 40 ILE CD1 C 13 14.301 0.141 A 40 ILE CG1 C 13 29.709 0.141 A 40 ILE CG2 C 13 17.906 0.141 A 40 ILE N N 15 121.716 0.102 A 41 ALA H H 1 8.301 0.023 A 41 ALA HA H 1 3.663 0.023 A 41 ALA HB% H 1 1.396 0.023 A 41 ALA CA C 13 55.947 0.141 A 41 ALA CB C 13 17.516 0.141 A 41 ALA N N 15 122.005 0.102 A 42 HIS H H 1 8.091 0.023 A 42 HIS HA H 1 4.394 0.023 A 42 HIS HB2 H 1 3.313 0.023 A 42 HIS HB3 H 1 3.313 0.023 A 42 HIS HD2 H 1 7.295 0.023 A 42 HIS CA C 13 58.649 0.141 A 42 HIS CB C 13 28.871 0.141 A 42 HIS CD2 C 13 120.100 0.141 A 42 HIS N N 15 114.193 0.102 A 43 ALA H H 1 8.167 0.023 A 43 ALA HA H 1 4.066 0.023 A 43 ALA HB% H 1 1.536 0.023 A 43 ALA CA C 13 54.856 0.141 A 43 ALA CB C 13 18.317 0.141 A 43 ALA N N 15 122.121 0.102 A 44 LEU H H 1 8.037 0.023 A 44 LEU HA H 1 4.327 0.023 A 44 LEU HB2 H 1 1.602 0.023 A 44 LEU HB3 H 1 1.451 0.023 A 44 LEU HD1% H 1 0.746 0.023 A 44 LEU HD2% H 1 0.702 0.023 A 44 LEU HG H 1 1.946 0.023 A 44 LEU CA C 13 54.171 0.141 A 44 LEU CB C 13 42.472 0.141 A 44 LEU CD1 C 13 22.721 0.141 A 44 LEU CD2 C 13 26.333 0.141 A 44 LEU CG C 13 26.828 0.141 A 44 LEU N N 15 114.117 0.102 A 45 LYS H H 1 7.806 0.023 A 45 LYS HA H 1 3.948 0.023 A 45 LYS HB2 H 1 1.841 0.023 A 45 LYS HB3 H 1 2.155 0.023 A 45 LYS HE2 H 1 2.988 0.023 A 45 LYS HE3 H 1 2.988 0.023 A 45 LYS HG2 H 1 1.320 0.023 A 45 LYS HG3 H 1 1.320 0.023 A 45 LYS CA C 13 57.214 0.141 A 45 LYS CB C 13 28.359 0.141 A 45 LYS CD C 13 29.285 0.141 A 45 LYS CE C 13 42.337 0.141 A 45 LYS CG C 13 24.979 0.141 A 45 LYS N N 15 117.081 0.102 A 46 LEU H H 1 8.393 0.023 A 46 LEU HA H 1 4.779 0.023 A 46 LEU HB2 H 1 1.582 0.023 A 46 LEU HB3 H 1 1.237 0.023 A 46 LEU HD1% H 1 0.746 0.023 A 46 LEU HD2% H 1 0.557 0.023 A 46 LEU HG H 1 1.458 0.023 A 46 LEU CA C 13 52.375 0.141 A 46 LEU CB C 13 47.430 0.141 A 46 LEU CD1 C 13 23.692 0.141 A 46 LEU CD2 C 13 27.139 0.141 A 46 LEU CG C 13 26.337 0.141 A 46 LEU N N 15 119.781 0.102 A 47 SER H H 1 8.817 0.023 A 47 SER HA H 1 4.772 0.023 A 47 SER HB2 H 1 4.351 0.023 A 47 SER HB3 H 1 3.970 0.023 A 47 SER CA C 13 56.659 0.141 A 47 SER CB C 13 64.905 0.141 A 47 SER N N 15 114.982 0.102 A 48 GLU H H 1 9.232 0.023 A 48 GLU HA H 1 3.663 0.023 A 48 GLU HB2 H 1 2.041 0.023 A 48 GLU HB3 H 1 2.041 0.023 A 48 GLU HG2 H 1 2.109 0.023 A 48 GLU HG3 H 1 2.398 0.023 A 48 GLU CA C 13 61.142 0.141 A 48 GLU CB C 13 28.993 0.141 A 48 GLU CG C 13 37.612 0.141 A 48 GLU N N 15 122.917 0.102 A 49 VAL H H 1 8.015 0.023 A 49 VAL HA H 1 3.770 0.023 A 49 VAL HB H 1 2.050 0.023 A 49 VAL HG1% H 1 1.005 0.023 A 49 VAL HG2% H 1 1.096 0.023 A 49 VAL CA C 13 65.693 0.141 A 49 VAL CB C 13 31.820 0.141 A 49 VAL CG1 C 13 20.898 0.141 A 49 VAL CG2 C 13 22.862 0.141 A 49 VAL N N 15 118.250 0.102 A 50 GLN H H 1 7.714 0.023 A 50 GLN HA H 1 4.155 0.023 A 50 GLN HB2 H 1 2.070 0.023 A 50 GLN HB3 H 1 2.625 0.023 A 50 GLN HE21 H 1 6.875 0.023 A 50 GLN HE22 H 1 7.325 0.023 A 50 GLN HG2 H 1 2.461 0.023 A 50 GLN HG3 H 1 2.506 0.023 A 50 GLN CA C 13 59.241 0.141 A 50 GLN CB C 13 29.517 0.141 A 50 GLN CG C 13 35.636 0.141 A 50 GLN NE2 N 15 112.717 0.102 A 51 VAL H H 1 7.705 0.023 A 51 VAL HA H 1 3.693 0.023 A 51 VAL HB H 1 2.221 0.023 A 51 VAL HG1% H 1 1.012 0.023 A 51 VAL HG2% H 1 0.979 0.023 A 51 VAL CA C 13 67.404 0.141 A 51 VAL CB C 13 32.193 0.141 A 51 VAL CG1 C 13 22.545 0.141 A 51 VAL CG2 C 13 23.710 0.141 A 51 VAL N N 15 119.155 0.102 A 52 LYS H H 1 8.545 0.023 A 52 LYS HA H 1 4.273 0.023 A 52 LYS HB2 H 1 2.233 0.023 A 52 LYS HB3 H 1 1.867 0.023 A 52 LYS HD2 H 1 1.695 0.023 A 52 LYS HD3 H 1 1.765 0.023 A 52 LYS HE2 H 1 2.989 0.023 A 52 LYS HE3 H 1 2.989 0.023 A 52 LYS HG2 H 1 1.319 0.023 A 52 LYS HG3 H 1 1.585 0.023 A 52 LYS CA C 13 59.846 0.141 A 52 LYS CB C 13 33.195 0.141 A 52 LYS CD C 13 29.850 0.141 A 52 LYS CE C 13 42.174 0.141 A 52 LYS CG C 13 24.871 0.141 A 52 LYS N N 15 121.165 0.102 A 53 ILE H H 1 8.733 0.023 A 53 ILE HA H 1 3.829 0.023 A 53 ILE HB H 1 2.068 0.023 A 53 ILE HD1% H 1 0.872 0.023 A 53 ILE HG12 H 1 1.783 0.023 A 53 ILE HG13 H 1 1.327 0.023 A 53 ILE HG2% H 1 1.001 0.023 A 53 ILE CA C 13 64.231 0.141 A 53 ILE CB C 13 37.978 0.141 A 53 ILE CD1 C 13 12.817 0.141 A 53 ILE CG1 C 13 29.185 0.141 A 53 ILE CG2 C 13 17.405 0.141 A 53 ILE N N 15 120.436 0.102 A 54 TRP H H 1 8.522 0.023 A 54 TRP HA H 1 4.014 0.023 A 54 TRP HB2 H 1 3.376 0.023 A 54 TRP HB3 H 1 3.501 0.023 A 54 TRP HD1 H 1 6.725 0.023 A 54 TRP HE1 H 1 9.264 0.023 A 54 TRP HE3 H 1 6.946 0.023 A 54 TRP HH2 H 1 6.411 0.023 A 54 TRP HZ2 H 1 7.215 0.023 A 54 TRP HZ3 H 1 5.668 0.023 A 54 TRP CA C 13 63.402 0.141 A 54 TRP CB C 13 28.857 0.141 A 54 TRP CD1 C 13 126.770 0.141 A 54 TRP CE3 C 13 121.239 0.141 A 54 TRP CH2 C 13 123.736 0.141 A 54 TRP CZ2 C 13 113.906 0.141 A 54 TRP CZ3 C 13 121.171 0.141 A 54 TRP N N 15 122.076 0.102 A 54 TRP NE1 N 15 128.354 0.102 A 55 PHE H H 1 9.087 0.023 A 55 PHE HA H 1 3.718 0.023 A 55 PHE HB2 H 1 3.551 0.023 A 55 PHE HB3 H 1 3.253 0.023 A 55 PHE HD1 H 1 7.684 0.023 A 55 PHE HD2 H 1 7.684 0.023 A 55 PHE HE1 H 1 7.207 0.023 A 55 PHE HE2 H 1 7.570 0.023 A 55 PHE CA C 13 63.373 0.141 A 55 PHE CB C 13 39.325 0.141 A 55 PHE CD1 C 13 131.534 0.141 A 55 PHE CD2 C 13 131.534 0.141 A 55 PHE CE1 C 13 132.220 0.141 A 55 PHE CE2 C 13 129.435 0.141 A 55 PHE N N 15 119.314 0.102 A 56 GLN H H 1 8.148 0.023 A 56 GLN HA H 1 3.995 0.023 A 56 GLN HB2 H 1 2.326 0.023 A 56 GLN HB3 H 1 2.200 0.023 A 56 GLN HE21 H 1 6.918 0.023 A 56 GLN HE22 H 1 7.629 0.023 A 56 GLN HG2 H 1 2.587 0.023 A 56 GLN HG3 H 1 2.466 0.023 A 56 GLN CA C 13 59.478 0.141 A 56 GLN CB C 13 28.528 0.141 A 56 GLN CG C 13 33.889 0.141 A 56 GLN N N 15 119.067 0.102 A 56 GLN NE2 N 15 111.299 0.102 A 57 ASN H H 1 8.396 0.023 A 57 ASN HA H 1 4.354 0.023 A 57 ASN HB2 H 1 2.680 0.023 A 57 ASN HB3 H 1 2.486 0.023 A 57 ASN HD21 H 1 6.952 0.023 A 57 ASN HD22 H 1 7.506 0.023 A 57 ASN CA C 13 55.317 0.141 A 57 ASN CB C 13 37.725 0.141 A 57 ASN N N 15 119.662 0.102 A 57 ASN ND2 N 15 113.094 0.102 A 58 ARG H H 1 8.454 0.023 A 58 ARG HA H 1 3.508 0.023 A 58 ARG HB2 H 1 -0.533 0.023 A 58 ARG HB3 H 1 0.562 0.023 A 58 ARG HD2 H 1 2.076 0.023 A 58 ARG HD3 H 1 2.406 0.023 A 58 ARG HG2 H 1 -0.743 0.023 A 58 ARG HG3 H 1 -0.247 0.023 A 58 ARG CA C 13 56.145 0.141 A 58 ARG CB C 13 27.957 0.141 A 58 ARG CD C 13 40.470 0.141 A 58 ARG CG C 13 23.390 0.141 A 58 ARG N N 15 124.411 0.102 A 59 ARG HA H 1 4.354 0.023 A 59 ARG HB2 H 1 1.941 0.023 A 59 ARG HB3 H 1 2.278 0.023 A 59 ARG HD2 H 1 2.635 0.023 A 59 ARG HD3 H 1 2.835 0.023 A 59 ARG HG2 H 1 1.422 0.023 A 59 ARG HG3 H 1 2.279 0.023 A 59 ARG CA C 13 60.459 0.141 A 59 ARG CB C 13 32.018 0.141 A 59 ARG CD C 13 43.653 0.141 A 59 ARG CG C 13 31.131 0.141 A 60 ALA H H 1 7.524 0.023 A 60 ALA HA H 1 4.195 0.023 A 60 ALA HB% H 1 1.526 0.023 A 60 ALA CA C 13 54.946 0.141 A 60 ALA CB C 13 17.671 0.141 A 60 ALA N N 15 121.683 0.102 A 61 LYS H H 1 7.352 0.023 A 61 LYS HA H 1 4.026 0.023 A 61 LYS HB2 H 1 1.778 0.023 A 61 LYS HB3 H 1 1.778 0.023 A 61 LYS HD2 H 1 1.523 0.023 A 61 LYS HD3 H 1 1.523 0.023 A 61 LYS HE2 H 1 2.839 0.023 A 61 LYS HE3 H 1 2.839 0.023 A 61 LYS HG2 H 1 1.442 0.023 A 61 LYS HG3 H 1 1.284 0.023 A 61 LYS CA C 13 58.604 0.141 A 61 LYS CB C 13 32.727 0.141 A 61 LYS CD C 13 29.443 0.141 A 61 LYS CE C 13 41.938 0.141 A 61 LYS CG C 13 24.885 0.141 A 61 LYS N N 15 118.243 0.102 A 62 TRP H H 1 7.934 0.023 A 62 TRP HA H 1 4.643 0.023 A 62 TRP HB2 H 1 3.822 0.023 A 62 TRP HB3 H 1 3.374 0.023 A 62 TRP HD1 H 1 7.505 0.023 A 62 TRP HE1 H 1 10.406 0.023 A 62 TRP HE3 H 1 7.736 0.023 A 62 TRP HH2 H 1 7.306 0.023 A 62 TRP HZ2 H 1 7.533 0.023 A 62 TRP HZ3 H 1 7.120 0.023 A 62 TRP CA C 13 58.923 0.141 A 62 TRP CB C 13 29.586 0.141 A 62 TRP CD1 C 13 127.315 0.141 A 62 TRP CE3 C 13 120.107 0.141 A 62 TRP CH2 C 13 124.601 0.141 A 62 TRP CZ2 C 13 114.700 0.141 A 62 TRP CZ3 C 13 121.585 0.141 A 62 TRP N N 15 121.102 0.102 A 62 TRP NE1 N 15 130.943 0.102 A 63 LYS H H 1 8.328 0.023 A 63 LYS HA H 1 3.657 0.023 A 63 LYS HB2 H 1 1.773 0.023 A 63 LYS HB3 H 1 1.773 0.023 A 63 LYS HD2 H 1 1.524 0.023 A 63 LYS HD3 H 1 1.524 0.023 A 63 LYS HE2 H 1 2.836 0.023 A 63 LYS HE3 H 1 2.836 0.023 A 63 LYS HG2 H 1 1.230 0.023 A 63 LYS HG3 H 1 1.502 0.023 A 63 LYS CA C 13 57.708 0.141 A 63 LYS CB C 13 32.673 0.141 A 63 LYS CD C 13 29.445 0.141 A 63 LYS CE C 13 42.011 0.141 A 63 LYS CG C 13 25.403 0.141 A 63 LYS N N 15 118.454 0.102 A 64 ARG H H 1 7.605 0.023 A 64 ARG HA H 1 4.094 0.023 A 64 ARG HB2 H 1 1.865 0.023 A 64 ARG HB3 H 1 1.865 0.023 A 64 ARG HD2 H 1 3.160 0.023 A 64 ARG HD3 H 1 3.160 0.023 A 64 ARG HG2 H 1 1.568 0.023 A 64 ARG HG3 H 1 1.699 0.023 A 64 ARG CA C 13 57.575 0.141 A 64 ARG CB C 13 30.042 0.141 A 64 ARG CD C 13 43.383 0.141 A 64 ARG CG C 13 27.436 0.141 A 64 ARG N N 15 119.371 0.102 A 65 ILE H H 1 7.933 0.023 A 65 ILE HA H 1 3.994 0.023 A 65 ILE HB H 1 1.910 0.023 A 65 ILE HD1% H 1 0.855 0.023 A 65 ILE HG12 H 1 1.541 0.023 A 65 ILE HG13 H 1 1.220 0.023 A 65 ILE HG2% H 1 0.890 0.023 A 65 ILE CA C 13 62.122 0.141 A 65 ILE CB C 13 38.200 0.141 A 65 ILE CD1 C 13 13.016 0.141 A 65 ILE CG1 C 13 27.933 0.141 A 65 ILE CG2 C 13 17.390 0.141 A 65 ILE N N 15 120.717 0.102 A 66 LYS H H 1 8.180 0.023 A 66 LYS HA H 1 4.140 0.023 A 66 LYS HB2 H 1 1.597 0.023 A 66 LYS HB3 H 1 1.668 0.023 A 66 LYS HD2 H 1 1.476 0.023 A 66 LYS HD3 H 1 1.476 0.023 A 66 LYS HE2 H 1 2.788 0.023 A 66 LYS HE3 H 1 2.788 0.023 A 66 LYS HG2 H 1 1.264 0.023 A 66 LYS HG3 H 1 1.264 0.023 A 66 LYS CA C 13 56.691 0.141 A 66 LYS CB C 13 32.356 0.141 A 66 LYS CD C 13 28.911 0.141 A 66 LYS CE C 13 41.909 0.141 A 66 LYS CG C 13 24.401 0.141 A 66 LYS N N 15 123.684 0.102 A 67 ALA H H 1 7.959 0.023 A 67 ALA HA H 1 4.274 0.023 A 67 ALA HB% H 1 1.401 0.023 A 67 ALA CA C 13 52.548 0.141 A 67 ALA CB C 13 19.080 0.141 A 67 ALA N N 15 123.678 0.102 A 68 GLY H H 1 8.157 0.023 A 68 GLY HA2 H 1 3.915 0.023 A 68 GLY HA3 H 1 3.895 0.023 A 68 GLY CA C 13 45.274 0.141 A 68 GLY N N 15 107.345 0.102 A 69 ASN H H 1 8.230 0.023 A 69 ASN HA H 1 4.757 0.023 A 69 ASN HB2 H 1 2.839 0.023 A 69 ASN HB3 H 1 2.725 0.023 A 69 ASN HD21 H 1 7.532 0.023 A 69 ASN HD22 H 1 6.876 0.023 A 69 ASN CA C 13 53.066 0.141 A 69 ASN CB C 13 38.948 0.141 A 69 ASN N N 15 118.854 0.102 A 69 ASN ND2 N 15 112.931 0.102 A 70 VAL H H 1 8.109 0.023 A 70 VAL HA H 1 4.206 0.023 A 70 VAL HB H 1 2.153 0.023 A 70 VAL HG1% H 1 0.933 0.023 A 70 VAL HG2% H 1 0.914 0.023 A 70 VAL CA C 13 62.062 0.141 A 70 VAL CB C 13 32.804 0.141 A 70 VAL CG1 C 13 21.315 0.141 A 70 VAL CG2 C 13 20.115 0.141 A 70 VAL N N 15 119.499 0.102 A 71 SER H H 1 7.948 0.023 A 71 SER HA H 1 4.258 0.023 A 71 SER HB2 H 1 3.836 0.023 A 71 SER HB3 H 1 3.836 0.023 A 71 SER CA C 13 59.734 0.141 A 71 SER CB C 13 64.641 0.141 A 71 SER N N 15 124.538 0.102 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 30 LYS HE2 A 62 TRP HE1 1.0 . 4.40 2 2 A 62 TRP HE1 A 30 LYS HE3 1.0 . 5.04 3 3 A 62 TRP HE1 A 62 TRP HA 1.0 . 5.23 4 4 A 22 LEU HD1% A 54 TRP HE1 1.0 . 4.99 5 5 A 54 TRP HE1 A 54 TRP HA 1.0 . 5.01 6 6 A 54 TRP HE1 A 19 LEU HA 1.0 . 5.20 7 7 A 13 ALA H A 14 PHE H 1.0 . 3.90 8 8 A 13 ALA H A 12 THR HA 1.0 . 2.82 9 9 A 13 ALA H A 12 THR HB 1.0 . 3.87 10 10 A 13 ALA H A 13 ALA HB% 1.0 . 3.44 11 11 A 70 VAL HA A 71 SER H 1.0 . 3.27 12 12 A 71 SER H A 69 ASN HB2 1.0 . 4.47 13 13 A 71 SER H A 70 VAL HB 1.0 . 4.59 14 14 A 71 SER H A 70 VAL HG2% 1.0 . 4.69 15 15 A 57 ASN HB3 A 58 ARG H 1.0 . 4.26 16 16 A 58 ARG H A 60 ALA H 1.0 . 4.88 17 17 A 58 ARG H A 58 ARG HB3 1.0 . 3.64 18 18 A 58 ARG H A 58 ARG HB2 1.0 . 3.70 19 19 A 58 ARG H A 57 ASN HB2 1.0 . 4.01 20 20 A 63 LYS H A 66 LYS H 1.0 . 4.93 21 21 A 66 LYS H A 65 ILE H 1.0 . 3.15 22 22 A 66 LYS H A 64 ARG H 1.0 . 5.01 23 23 A 66 LYS H A 65 ILE HA 1.0 . 3.51 24 24 A 66 LYS H A 63 LYS HA 1.0 . 4.36 25 25 A 66 LYS H A 65 ILE HB 1.0 . 3.41 26 26 A 66 LYS H A 66 LYS HB2 1.0 . 3.09 27 27 A 66 LYS H A 66 LYS HG2 1.0 . 3.64 28 27 A 66 LYS H A 66 LYS HG3 1.0 . 3.64 29 28 A 65 ILE HG2% A 67 ALA H 1.0 . 5.50 30 29 A 67 ALA H A 66 LYS HA 1.0 . 3.42 31 30 A 67 ALA H A 68 GLY H 1.0 . 3.38 32 31 A 65 ILE HA A 67 ALA H 1.0 . 5.07 33 32 A 67 ALA H A 66 LYS HG2 1.0 . 4.47 34 32 A 66 LYS HG3 A 67 ALA H 1.0 . 4.47 35 33 A 10 ARG HA A 11 ARG H 1.0 . 3.07 36 34 A 11 ARG H A 9 ARG HG2 1.0 . 4.24 37 34 A 11 ARG H A 9 ARG HG3 1.0 . 4.24 38 35 A 10 ARG H A 15 THR HB 1.0 . 3.15 39 36 A 10 ARG H A 10 ARG HB2 1.0 . 3.41 40 37 A 10 ARG H A 9 ARG HG2 1.0 . 4.00 41 37 A 9 ARG HG3 A 10 ARG H 1.0 . 4.00 42 38 A 33 SER H A 36 GLU H 1.0 . 4.12 43 39 A 36 GLU H A 37 ARG H 1.0 . 3.40 44 40 A 36 GLU H A 35 THR H 1.0 . 3.39 45 41 A 36 GLU H A 36 GLU HG2 1.0 . 2.95 46 41 A 36 GLU H A 36 GLU HG3 1.0 . 2.95 47 42 A 36 GLU H A 36 GLU HB2 1.0 . 3.77 48 43 A 36 GLU H A 32 LEU HD1% 1.0 . 5.33 49 44 A 48 GLU H A 50 GLN H 1.0 . 4.56 50 45 A 48 GLU H A 47 SER HB3 1.0 . 3.87 51 46 A 48 GLU H A 47 SER HB2 1.0 . 3.42 52 47 A 48 GLU H A 48 GLU HG3 1.0 . 3.77 53 48 A 48 GLU H A 48 GLU HB2 1.0 . 3.10 54 48 A 48 GLU H A 48 GLU HB3 1.0 . 3.10 55 49 A 31 TYR HD% A 32 LEU H 1.0 . 4.76 56 50 A 33 SER H A 32 LEU H 1.0 . 5.03 57 51 A 32 LEU H A 55 PHE HD% 1.0 . 4.99 58 52 A 32 LEU H A 32 LEU HB3 1.0 . 3.56 59 53 A 32 LEU H A 31 TYR HA 1.0 . 3.07 60 54 A 32 LEU H A 31 TYR HB2 1.0 . 3.99 61 55 A 32 LEU H A 31 TYR HB3 1.0 . 4.27 62 56 A 32 LEU H A 32 LEU HB2 1.0 . 3.94 63 57 A 32 LEU H A 32 LEU HG 1.0 . 3.76 64 58 A 32 LEU HD1% A 32 LEU H 1.0 . 4.58 65 59 A 8 ARG HA A 9 ARG H 1.0 . 3.19 66 60 A 9 ARG H A 9 ARG HB2 1.0 . 4.15 67 61 A 21 GLU HB2 A 22 LEU H 1.0 . 4.03 68 62 A 22 LEU H A 44 LEU HD2% 1.0 . 4.69 69 63 A 22 LEU H A 22 LEU HB2 1.0 . 3.67 70 64 A 22 LEU H A 22 LEU HB3 1.0 . 4.18 71 65 A 19 LEU HA A 22 LEU H 1.0 . 4.69 72 66 A 53 ILE H A 54 TRP H 1.0 . 3.59 73 67 A 54 TRP H A 54 TRP HB3 1.0 . 3.39 74 68 A 54 TRP H A 54 TRP HB2 1.0 . 3.36 75 69 A 54 TRP H A 53 ILE HB 1.0 . 3.54 76 70 A 54 TRP H A 55 PHE H 1.0 . 3.54 77 71 A 54 TRP H A 14 PHE HE% 1.0 . 4.40 78 72 A 40 ILE HA A 43 ALA H 1.0 . 3.80 79 73 A 43 ALA H A 42 HIS HB2 1.0 . 3.24 80 73 A 43 ALA H A 42 HIS HB3 1.0 . 3.24 81 74 A 55 PHE HD% A 54 TRP H 1.0 . 4.89 82 75 A 38 SER HA A 41 ALA H 1.0 . 4.23 83 76 A 41 ALA H A 40 ILE HB 1.0 . 3.54 84 77 A 41 ALA H A 51 VAL HG1% 1.0 . 4.27 85 77 A 41 ALA H A 51 VAL HG2% 1.0 . 4.27 86 78 A 43 ALA H A 40 ILE HG2% 1.0 . 5.50 87 79 A 37 ARG H A 39 GLN H 1.0 . 4.83 88 80 A 39 GLN H A 39 GLN HG2 1.0 . 3.59 89 81 A 39 GLN H A 39 GLN HB3 1.0 . 3.06 90 82 A 33 SER H A 34 LEU H 1.0 . 5.11 91 83 A 36 GLU H A 34 LEU H 1.0 . 4.91 92 84 A 39 GLN H A 40 ILE H 1.0 . 3.32 93 85 A 39 GLN HB3 A 40 ILE H 1.0 . 3.57 94 86 A 40 ILE HB A 40 ILE H 1.0 . 2.98 95 87 A 40 ILE HG2% A 40 ILE H 1.0 . 4.05 96 88 A 40 ILE H A 32 LEU HD2% 1.0 . 5.50 97 89 A 60 ALA H A 61 LYS H 1.0 . 3.53 98 90 A 60 ALA H A 59 ARG HB3 1.0 . 3.96 99 91 A 60 ALA H A 59 ARG HB2 1.0 . 4.32 100 92 A 35 THR H A 34 LEU H 1.0 . 3.41 101 93 A 34 LEU H A 33 SER HA 1.0 . 3.03 102 94 A 34 LEU H A 33 SER HB3 1.0 . 3.26 103 95 A 34 LEU H A 34 LEU HB2 1.0 . 3.47 104 96 A 34 LEU H A 34 LEU HD1% 1.0 . 4.27 105 97 A 60 ALA H A 61 LYS HB2 1.0 . 4.60 106 97 A 60 ALA H A 61 LYS HB3 1.0 . 4.60 107 98 A 24 LYS H A 26 PHE H 1.0 . 5.16 108 99 A 37 ARG HD2 A 52 LYS H 1.0 . 4.68 109 100 A 52 LYS H A 49 VAL HA 1.0 . 4.25 110 101 A 52 LYS H A 51 VAL HG1% 1.0 . 4.13 111 101 A 51 VAL HG2% A 52 LYS H 1.0 . 4.13 112 102 A 52 LYS H A 50 GLN HA 1.0 . 5.10 113 103 A 52 LYS H A 37 ARG HD3 1.0 . 4.45 114 104 A 52 LYS H A 52 LYS HB2 1.0 . 3.12 115 105 A 52 LYS H A 52 LYS HB3 1.0 . 3.42 116 106 A 52 LYS H A 52 LYS HG2 1.0 . 4.57 117 107 A 61 LYS H A 62 TRP H 1.0 . 3.58 118 108 A 62 TRP H A 26 PHE HZ 1.0 . 5.13 119 109 A 62 TRP H A 62 TRP HB3 1.0 . 3.46 120 110 A 62 TRP H A 62 TRP HB2 1.0 . 3.44 121 111 A 24 LYS H A 25 GLU H 1.0 . 4.22 122 112 A 24 LYS H A 23 GLU HB2 1.0 . 4.19 123 113 A 24 LYS H A 24 LYS HG2 1.0 . 4.14 124 114 A 24 LYS H A 23 GLU HG3 1.0 . 4.67 125 115 A 17 GLU H A 18 GLN HB2 1.0 . 5.06 126 116 A 15 THR HB A 17 GLU H 1.0 . 3.58 127 117 A 17 GLU H A 15 THR HA 1.0 . 4.64 128 118 A 17 GLU H A 17 GLU HB3 1.0 . 3.40 129 119 A 65 ILE H A 64 ARG H 1.0 . 3.36 130 120 A 65 ILE H A 64 ARG HA 1.0 . 3.23 131 121 A 65 ILE H A 65 ILE HB 1.0 . 2.82 132 122 A 65 ILE H A 65 ILE HG12 1.0 . 3.32 133 123 A 53 ILE H A 52 LYS H 1.0 . 3.35 134 124 A 53 ILE H A 53 ILE HG13 1.0 . 3.70 135 125 A 53 ILE H A 49 VAL HG1% 1.0 . 4.04 136 126 A 53 ILE H A 52 LYS HB2 1.0 . 3.48 137 127 A 53 ILE H A 51 VAL H 1.0 . 4.66 138 128 A 46 LEU H A 46 LEU HD2% 1.0 . 4.03 139 129 A 46 LEU H A 45 LYS HA 1.0 . 3.06 140 130 A 46 LEU H A 41 ALA HA 1.0 . 3.65 141 131 A 46 LEU H A 46 LEU HB2 1.0 . 3.55 142 132 A 46 LEU H A 46 LEU HG 1.0 . 3.57 143 133 A 46 LEU H A 46 LEU HB3 1.0 . 3.50 144 134 A 57 ASN HB2 A 57 ASN H 1.0 . 3.21 145 135 A 57 ASN H A 56 GLN H 1.0 . 3.74 146 136 A 57 ASN H A 57 ASN HD22 1.0 . 3.64 147 137 A 57 ASN H A 56 GLN HB2 1.0 . 3.11 148 138 A 58 ARG HB2 A 57 ASN H 1.0 . 4.29 149 139 A 69 ASN HB3 A 70 VAL H 1.0 . 4.93 150 140 A 71 SER H A 70 VAL H 1.0 . 3.57 151 141 A 70 VAL H A 69 ASN HA 1.0 . 3.06 152 142 A 70 VAL HB A 70 VAL H 1.0 . 3.82 153 143 A 70 VAL HG2% A 70 VAL H 1.0 . 4.03 154 144 A 69 ASN HB2 A 70 VAL H 1.0 . 4.09 155 145 A 19 LEU H A 20 LEU H 1.0 . 3.85 156 146 A 20 LEU H A 21 GLU H 1.0 . 3.63 157 147 A 55 PHE H A 51 VAL HG1% 1.0 . 5.24 158 147 A 55 PHE H A 51 VAL HG2% 1.0 . 5.24 159 148 A 51 VAL H A 49 VAL H 1.0 . 3.80 160 149 A 63 LYS H A 64 ARG H 1.0 . 3.64 161 150 A 64 ARG H A 64 ARG HB2 1.0 . 3.13 162 150 A 64 ARG H A 64 ARG HB3 1.0 . 3.13 163 151 A 64 ARG H A 65 ILE HG12 1.0 . 4.27 164 152 A 33 SER H A 33 SER HB3 1.0 . 4.10 165 153 A 33 SER H A 33 SER HB2 1.0 . 3.60 166 154 A 33 SER H A 36 GLU HB3 1.0 . 3.34 167 155 A 33 SER H A 32 LEU HB2 1.0 . 3.97 168 156 A 55 PHE H A 54 TRP HE3 1.0 . 4.34 169 157 A 55 PHE H A 55 PHE HB2 1.0 . 3.24 170 158 A 33 SER H A 37 ARG H 1.0 . 4.69 171 159 A 37 ARG H A 38 SER H 1.0 . 3.45 172 160 A 37 ARG H A 36 GLU HB3 1.0 . 3.57 173 161 A 37 ARG H A 37 ARG HB2 1.0 . 3.39 174 161 A 37 ARG H A 37 ARG HB3 1.0 . 3.39 175 162 A 37 ARG H A 32 LEU HB2 1.0 . 3.96 176 163 A 37 ARG H A 32 LEU HD1% 1.0 . 5.50 177 164 A 51 VAL H A 47 SER H 1.0 . 4.13 178 165 A 50 GLN HA A 51 VAL H 1.0 . 3.56 179 166 A 51 VAL H A 50 GLN HB3 1.0 . 3.16 180 167 A 33 SER H A 32 LEU HD2% 1.0 . 5.41 181 168 A 52 LYS H A 51 VAL H 1.0 . 3.31 182 169 A 51 VAL H A 51 VAL HB 1.0 . 3.14 183 170 A 51 VAL H A 51 VAL HG1% 1.0 . 3.22 184 170 A 51 VAL HG2% A 51 VAL H 1.0 . 3.22 185 171 A 56 GLN H A 56 GLN HB3 1.0 . 3.43 186 172 A 55 PHE H A 56 GLN H 1.0 . 3.58 187 173 A 56 GLN H A 55 PHE HB2 1.0 . 4.25 188 174 A 56 GLN H A 55 PHE HB3 1.0 . 4.30 189 175 A 56 GLN H A 56 GLN HG2 1.0 . 3.94 190 176 A 56 GLN H A 53 ILE HG2% 1.0 . 5.37 191 177 A 56 GLN H A 54 TRP HE3 1.0 . 5.12 192 178 A 70 VAL H A 69 ASN H 1.0 . 4.02 193 179 A 69 ASN HB3 A 69 ASN H 1.0 . 3.67 194 180 A 69 ASN H A 67 ALA HB% 1.0 . 5.10 195 181 A 17 GLU H A 18 GLN H 1.0 . 3.47 196 182 A 17 GLU HB3 A 18 GLN H 1.0 . 3.97 197 183 A 15 THR HB A 18 GLN H 1.0 . 4.06 198 184 A 18 GLN H A 44 LEU HD1% 1.0 . 5.29 199 185 A 14 PHE H A 14 PHE HD1 1.0 . 3.99 200 186 A 14 PHE H A 12 THR HB 1.0 . 4.70 201 187 A 14 PHE H A 14 PHE HB2 1.0 . 3.11 202 188 A 14 PHE H A 19 LEU HG 1.0 . 5.02 203 189 A 14 PHE H A 19 LEU HD1% 1.0 . 4.91 204 190 A 19 LEU H A 18 GLN H 1.0 . 3.50 205 191 A 18 GLN HB2 A 18 GLN H 1.0 . 3.06 206 192 A 18 GLN H A 18 GLN HG3 1.0 . 3.93 207 193 A 18 GLN H A 18 GLN HB3 1.0 . 3.71 208 194 A 18 GLN H A 15 THR H 1.0 . 3.96 209 195 A 18 GLN H A 14 PHE HB3 1.0 . 4.85 210 196 A 22 LEU H A 21 GLU H 1.0 . 3.74 211 197 A 21 GLU H A 20 LEU HB2 1.0 . 4.40 212 198 A 63 LYS H A 63 LYS HG3 1.0 . 3.99 213 199 A 63 LYS H A 62 TRP H 1.0 . 3.95 214 200 A 48 GLU H A 49 VAL H 1.0 . 3.39 215 201 A 50 GLN H A 49 VAL H 1.0 . 3.25 216 202 A 47 SER HB3 A 49 VAL H 1.0 . 4.13 217 203 A 49 VAL H A 49 VAL HB 1.0 . 2.75 218 204 A 47 SER HB2 A 49 VAL H 1.0 . 3.57 219 205 A 49 VAL H A 41 ALA HB% 1.0 . 5.28 220 206 A 30 LYS H A 31 TYR H 1.0 . 3.31 221 207 A 30 LYS H A 30 LYS HB2 1.0 . 3.63 222 208 A 30 LYS H A 30 LYS HB3 1.0 . 4.08 223 209 A 30 LYS H A 30 LYS HG2 1.0 . 3.87 224 210 A 61 LYS H A 61 LYS HB2 1.0 . 3.16 225 210 A 61 LYS H A 61 LYS HB3 1.0 . 3.16 226 211 A 20 LEU HA A 23 GLU H 1.0 . 4.65 227 212 A 22 LEU H A 23 GLU H 1.0 . 4.02 228 213 A 23 GLU HG3 A 23 GLU H 1.0 . 5.02 229 214 A 22 LEU HB3 A 23 GLU H 1.0 . 4.62 230 215 A 22 LEU HB2 A 23 GLU H 1.0 . 4.12 231 216 A 19 LEU H A 16 SER HB2 1.0 . 4.97 232 216 A 19 LEU H A 16 SER HB3 1.0 . 4.97 233 217 A 19 LEU H A 14 PHE HB3 1.0 . 4.38 234 218 A 18 GLN HB2 A 19 LEU H 1.0 . 3.62 235 219 A 19 LEU H A 19 LEU HB2 1.0 . 3.72 236 220 A 19 LEU H A 19 LEU HG 1.0 . 3.41 237 221 A 19 LEU H A 19 LEU HB3 1.0 . 3.43 238 222 A 17 GLU H A 19 LEU H 1.0 . 5.08 239 223 A 19 LEU H A 14 PHE HB2 1.0 . 5.25 240 224 A 46 LEU H A 45 LYS H 1.0 . 3.19 241 225 A 45 LYS H A 44 LEU H 1.0 . 3.31 242 226 A 45 LYS HA A 45 LYS H 1.0 . 2.79 243 227 A 45 LYS H A 42 HIS HB2 1.0 . 5.02 244 227 A 42 HIS HB3 A 45 LYS H 1.0 . 5.02 245 228 A 45 LYS H A 45 LYS HB3 1.0 . 4.19 246 229 A 44 LEU HD1% A 45 LYS H 1.0 . 4.74 247 230 A 17 GLU H A 16 SER H 1.0 . 3.54 248 231 A 18 GLN H A 16 SER H 1.0 . 4.99 249 232 A 16 SER H A 16 SER HB2 1.0 . 3.42 250 232 A 16 SER HB3 A 16 SER H 1.0 . 3.42 251 233 A 16 SER H A 15 THR HG2% 1.0 . 4.08 252 234 A 15 THR HB A 16 SER H 1.0 . 3.00 253 235 A 15 THR HA A 16 SER H 1.0 . 2.91 254 236 A 12 THR H A 9 ARG HG2 1.0 . 5.08 255 236 A 9 ARG HG3 A 12 THR H 1.0 . 5.08 256 237 A 12 THR H A 11 ARG HA 1.0 . 2.95 257 238 A 12 THR HB A 12 THR H 1.0 . 3.79 258 239 A 12 THR H A 12 THR HG2% 1.0 . 4.47 259 240 A 28 CYS H A 28 CYS HB2 1.0 . 3.86 260 240 A 28 CYS H A 28 CYS HB3 1.0 . 3.86 261 241 A 26 PHE HD% A 27 HIS H 1.0 . 5.18 262 242 A 26 PHE H A 27 HIS H 1.0 . 3.87 263 243 A 26 PHE H A 24 LYS HA 1.0 . 5.01 264 244 A 50 GLN H A 47 SER H 1.0 . 4.02 265 245 A 47 SER HB2 A 47 SER H 1.0 . 3.85 266 246 A 41 ALA HA A 47 SER H 1.0 . 4.84 267 247 A 47 SER H A 50 GLN HG3 1.0 . 4.06 268 247 A 47 SER H A 50 GLN HG2 1.0 . 4.06 269 248 A 47 SER H A 50 GLN HB2 1.0 . 3.94 270 249 A 46 LEU HG A 47 SER H 1.0 . 4.40 271 250 A 47 SER H A 46 LEU HA 1.0 . 3.06 272 251 A 47 SER HB3 A 47 SER H 1.0 . 3.43 273 252 A 47 SER H A 50 GLN HB3 1.0 . 3.58 274 253 A 46 LEU HB2 A 47 SER H 1.0 . 3.35 275 254 A 46 LEU HB3 A 47 SER H 1.0 . 3.83 276 255 A 41 ALA H A 42 HIS H 1.0 . 3.44 277 256 A 42 HIS H A 43 ALA HB% 1.0 . 4.83 278 257 A 46 LEU H A 44 LEU H 1.0 . 4.54 279 258 A 41 ALA HA A 44 LEU H 1.0 . 4.58 280 259 A 44 LEU H A 44 LEU HG 1.0 . 3.45 281 260 A 44 LEU H A 43 ALA HB% 1.0 . 3.32 282 261 A 44 LEU HD1% A 44 LEU H 1.0 . 3.86 283 262 A 35 THR H A 34 LEU HB2 1.0 . 3.94 284 263 A 35 THR H A 33 SER HA 1.0 . 4.67 285 264 A 35 THR H A 34 LEU HA 1.0 . 3.47 286 265 A 35 THR H A 36 GLU HG2 1.0 . 4.55 287 265 A 35 THR H A 36 GLU HG3 1.0 . 4.55 288 266 A 19 LEU HD1% A 15 THR H 1.0 . 5.17 289 267 A 19 LEU H A 15 THR H 1.0 . 4.27 290 268 A 15 THR HB A 15 THR H 1.0 . 4.12 291 269 A 15 THR H A 14 PHE HB3 1.0 . 3.64 292 270 A 14 PHE HB2 A 15 THR H 1.0 . 4.00 293 271 A 18 GLN HB2 A 15 THR H 1.0 . 3.38 294 272 A 18 GLN HB3 A 15 THR H 1.0 . 3.90 295 273 A 15 THR H A 18 GLN HA 1.0 . 4.79 296 274 A 38 SER H A 38 SER HB3 1.0 . 2.99 297 275 A 38 SER H A 37 ARG HB2 1.0 . 3.84 298 275 A 38 SER H A 37 ARG HB3 1.0 . 3.84 299 276 A 54 TRP HA A 57 ASN HD21 1.0 . 5.29 300 277 A 69 ASN HA A 69 ASN HD21 1.0 . 5.17 301 278 A 54 TRP HA A 57 ASN HD22 1.0 . 4.70 302 279 A 57 ASN HD22 A 57 ASN HA 1.0 . 4.85 303 280 A 57 ASN HB2 A 57 ASN HD22 1.0 . 3.57 304 281 A 57 ASN HB3 A 57 ASN HD22 1.0 . 3.80 305 282 A 57 ASN H A 57 ASN HD21 1.0 . 4.91 306 283 A 32 LEU H A 31 TYR H 1.0 . 4.86 307 284 A 50 GLN HB2 A 50 GLN HE22 1.0 . 4.76 308 285 A 50 GLN HA A 50 GLN HE22 1.0 . 5.01 309 286 A 49 VAL HG1% A 50 GLN HE22 1.0 . 5.50 310 287 A 50 GLN HE22 A 50 GLN HG3 1.0 . 3.64 311 287 A 50 GLN HG2 A 50 GLN HE22 1.0 . 3.64 312 288 A 50 GLN HE22 A 46 LEU HD1% 1.0 . 4.97 313 289 A 50 GLN HE21 A 50 GLN HG3 1.0 . 3.96 314 289 A 50 GLN HG2 A 50 GLN HE21 1.0 . 3.96 315 290 A 50 GLN HB2 A 50 GLN HE21 1.0 . 5.11 316 291 A 35 THR HG2% A 39 GLN HE22 1.0 . 5.00 317 292 A 53 ILE HA A 56 GLN HE22 1.0 . 5.23 318 293 A 56 GLN HB3 A 56 GLN HE22 1.0 . 5.50 319 294 A 53 ILE HD1% A 56 GLN HE21 1.0 . 5.50 320 295 A 56 GLN HE22 A 56 GLN HG3 1.0 . 4.00 321 296 A 56 GLN HB2 A 56 GLN HE22 1.0 . 4.73 322 297 A 56 GLN HE22 A 52 LYS HG3 1.0 . 5.50 323 298 A 52 LYS HG2 A 56 GLN HE22 1.0 . 5.46 324 299 A 46 LEU HG A 18 GLN HE22 1.0 . 4.22 325 300 A 46 LEU HD1% A 18 GLN HE22 1.0 . 4.49 326 301 A 18 GLN HE21 A 45 LYS HG2 1.0 . 5.28 327 301 A 18 GLN HE21 A 45 LYS HG3 1.0 . 5.28 328 302 A 65 ILE HG2% A 68 GLY H 1.0 . 5.37 329 303 A 68 GLY H A 67 ALA HA 1.0 . 3.52 330 304 A 66 LYS HA A 68 GLY H 1.0 . 4.55 331 305 A 5 GLY HA3 A 6 LYS HB2 1.0 . 4.94 332 305 A 5 GLY HA2 A 6 LYS HB2 1.0 . 4.94 333 305 A 6 LYS HB3 A 5 GLY HA2 1.0 . 4.94 334 305 A 5 GLY HA3 A 6 LYS HB3 1.0 . 4.94 335 306 A 67 ALA HB% A 68 GLY HA2 1.0 . 5.43 336 307 A 32 LEU HB3 A 36 GLU HB3 1.0 . 4.35 337 308 A 37 ARG H A 32 LEU HB3 1.0 . 4.72 338 309 A 32 LEU HB3 A 32 LEU HD2% 1.0 . 4.03 339 310 A 33 SER H A 32 LEU HB3 1.0 . 4.57 340 311 A 32 LEU HB2 A 37 ARG HA 1.0 . 5.22 341 312 A 32 LEU HB2 A 32 LEU HD2% 1.0 . 4.05 342 313 A 32 LEU HB3 A 37 ARG HA 1.0 . 5.32 343 314 A 32 LEU HB2 A 36 GLU HB3 1.0 . 3.98 344 315 A 37 ARG H A 37 ARG HD2 1.0 . 5.22 345 316 A 37 ARG HD2 A 52 LYS HA 1.0 . 4.38 346 317 A 37 ARG HD2 A 51 VAL HB 1.0 . 4.48 347 318 A 37 ARG HD2 A 37 ARG HB2 1.0 . 3.84 348 318 A 37 ARG HD2 A 37 ARG HB3 1.0 . 3.84 349 319 A 37 ARG HD3 A 52 LYS HA 1.0 . 4.36 350 320 A 37 ARG HD3 A 51 VAL HG1% 1.0 . 5.25 351 321 A 37 ARG HD3 A 51 VAL HB 1.0 . 4.93 352 322 A 59 ARG HA A 59 ARG HD2 1.0 . 5.50 353 323 A 59 ARG HD2 A 26 PHE HE% 1.0 . 5.19 354 324 A 30 LYS HB3 A 59 ARG HD2 1.0 . 5.50 355 325 A 64 ARG H A 64 ARG HD2 1.0 . 4.69 356 325 A 64 ARG H A 64 ARG HD3 1.0 . 4.69 357 326 A 64 ARG HB3 A 64 ARG HD2 1.0 . 3.09 358 326 A 64 ARG HD3 A 64 ARG HB2 1.0 . 3.09 359 326 A 64 ARG HB3 A 64 ARG HD3 1.0 . 3.09 360 326 A 64 ARG HB2 A 64 ARG HD2 1.0 . 3.09 361 327 A 65 ILE H A 64 ARG HD2 1.0 . 5.50 362 327 A 65 ILE H A 64 ARG HD3 1.0 . 5.50 363 328 A 9 ARG HD2 A 9 ARG HG2 1.0 . 2.57 364 328 A 9 ARG HG3 A 9 ARG HD2 1.0 . 2.57 365 328 A 9 ARG HG3 A 9 ARG HD3 1.0 . 2.57 366 328 A 9 ARG HD3 A 9 ARG HG2 1.0 . 2.57 367 329 A 41 ALA HA A 44 LEU HB2 1.0 . 4.94 368 330 A 44 LEU HB2 A 18 GLN HG2 1.0 . 5.49 369 331 A 41 ALA HA A 44 LEU HB3 1.0 . 5.50 370 332 A 44 LEU H A 44 LEU HB2 1.0 . 3.66 371 333 A 46 LEU H A 44 LEU HB2 1.0 . 5.15 372 334 A 18 GLN HG3 A 44 LEU HB2 1.0 . 4.98 373 335 A 44 LEU HD2% A 44 LEU HB2 1.0 . 3.66 374 336 A 46 LEU HD2% A 44 LEU HB2 1.0 . 4.36 375 337 A 18 GLN HE21 A 44 LEU HB2 1.0 . 5.33 376 338 A 46 LEU HA A 44 LEU HB2 1.0 . 5.50 377 339 A 18 GLN HE22 A 44 LEU HB3 1.0 . 5.00 378 340 A 18 GLN HG3 A 44 LEU HB3 1.0 . 4.39 379 341 A 44 LEU H A 44 LEU HB3 1.0 . 3.91 380 342 A 18 GLN HE21 A 44 LEU HB3 1.0 . 5.18 381 343 A 44 LEU HD2% A 44 LEU HB3 1.0 . 3.62 382 344 A 46 LEU HD2% A 44 LEU HB3 1.0 . 4.36 383 345 A 45 LYS H A 44 LEU HB3 1.0 . 5.05 384 346 A 18 GLN HA A 44 LEU HB3 1.0 . 5.23 385 347 A 18 GLN HG2 A 44 LEU HB3 1.0 . 5.02 386 348 A 24 LYS H A 24 LYS HE2 1.0 . 5.15 387 348 A 24 LYS H A 24 LYS HE3 1.0 . 5.15 388 349 A 49 VAL HA A 52 LYS HE2 1.0 . 4.20 389 349 A 49 VAL HA A 52 LYS HE3 1.0 . 4.20 390 350 A 56 GLN HE21 A 52 LYS HE2 1.0 . 4.88 391 350 A 56 GLN HE21 A 52 LYS HE3 1.0 . 4.88 392 351 A 24 LYS HD3 A 24 LYS HE2 1.0 . 2.76 393 351 A 24 LYS HD2 A 24 LYS HE2 1.0 . 2.76 394 351 A 24 LYS HE3 A 24 LYS HD2 1.0 . 2.76 395 351 A 24 LYS HE3 A 24 LYS HD3 1.0 . 2.76 396 352 A 52 LYS HG2 A 52 LYS HE2 1.0 . 3.15 397 352 A 52 LYS HG2 A 52 LYS HE3 1.0 . 3.15 398 353 A 56 GLN HE22 A 52 LYS HE2 1.0 . 5.01 399 353 A 56 GLN HE22 A 52 LYS HE3 1.0 . 5.01 400 354 A 23 GLU HG2 A 24 LYS HE2 1.0 . 3.40 401 354 A 24 LYS HE3 A 23 GLU HG2 1.0 . 3.40 402 355 A 56 GLN HG3 A 52 LYS HE2 1.0 . 3.62 403 355 A 56 GLN HG3 A 52 LYS HE3 1.0 . 3.62 404 356 A 53 ILE H A 52 LYS HE2 1.0 . 4.96 405 356 A 53 ILE H A 52 LYS HE3 1.0 . 4.96 406 357 A 52 LYS HA A 52 LYS HE2 1.0 . 5.35 407 357 A 52 LYS HA A 52 LYS HE3 1.0 . 5.35 408 358 A 20 LEU HB3 A 21 GLU HG2 1.0 . 5.50 409 359 A 20 LEU HB2 A 20 LEU HD1% 1.0 . 3.42 410 360 A 63 LYS HA A 63 LYS HE2 1.0 . 5.17 411 360 A 63 LYS HA A 63 LYS HE3 1.0 . 5.17 412 361 A 61 LYS HB2 A 61 LYS HE2 1.0 . 3.96 413 361 A 61 LYS HE3 A 61 LYS HB2 1.0 . 3.96 414 361 A 61 LYS HB3 A 61 LYS HE3 1.0 . 3.96 415 361 A 61 LYS HB3 A 61 LYS HE2 1.0 . 3.96 416 362 A 65 ILE HD1% A 61 LYS HE2 1.0 . 4.04 417 362 A 61 LYS HE3 A 65 ILE HD1% 1.0 . 4.04 418 363 A 61 LYS HA A 61 LYS HE2 1.0 . 5.25 419 363 A 61 LYS HE3 A 61 LYS HA 1.0 . 5.25 420 364 A 61 LYS HG3 A 61 LYS HE2 1.0 . 3.44 421 364 A 61 LYS HE3 A 61 LYS HG3 1.0 . 3.44 422 365 A 63 LYS HA A 66 LYS HE2 1.0 . 5.35 423 365 A 63 LYS HA A 66 LYS HE3 1.0 . 5.35 424 366 A 62 TRP HZ2 A 66 LYS HE2 1.0 . 5.46 425 366 A 66 LYS HE3 A 62 TRP HZ2 1.0 . 5.46 426 367 A 20 LEU H A 20 LEU HB3 1.0 . 3.15 427 368 A 21 GLU H A 20 LEU HB3 1.0 . 3.79 428 369 A 20 LEU H A 20 LEU HB2 1.0 . 3.41 429 370 A 23 GLU HA A 26 PHE HB2 1.0 . 4.31 430 371 A 26 PHE H A 26 PHE HB2 1.0 . 3.55 431 372 A 26 PHE H A 26 PHE HB3 1.0 . 3.71 432 373 A 20 LEU HB3 A 20 LEU HD2% 1.0 . 3.41 433 374 A 30 LYS HE2 A 26 PHE HE% 1.0 . 5.40 434 375 A 19 LEU HD1% A 19 LEU HB2 1.0 . 4.14 435 376 A 20 LEU H A 19 LEU HB3 1.0 . 4.22 436 377 A 19 LEU HB3 A 19 LEU HD2% 1.0 . 3.63 437 378 A 19 LEU HB3 A 16 SER HB2 1.0 . 4.72 438 378 A 16 SER HB3 A 19 LEU HB3 1.0 . 4.72 439 379 A 33 SER HA A 34 LEU HB3 1.0 . 5.22 440 380 A 35 THR H A 34 LEU HB3 1.0 . 4.04 441 381 A 34 LEU HD1% A 34 LEU HB3 1.0 . 3.54 442 382 A 30 LYS HE3 A 62 TRP HZ2 1.0 . 5.20 443 383 A 14 PHE HB3 A 19 LEU HB3 1.0 . 4.54 444 384 A 31 TYR HB2 A 31 TYR H 1.0 . 4.18 445 385 A 31 TYR HB3 A 31 TYR H 1.0 . 3.89 446 386 A 34 LEU H A 34 LEU HB3 1.0 . 3.57 447 387 A 34 LEU HB2 A 34 LEU HD2% 1.0 . 3.54 448 388 A 22 LEU HD1% A 14 PHE HB3 1.0 . 5.34 449 389 A 18 GLN HB2 A 14 PHE HB3 1.0 . 4.15 450 390 A 18 GLN HB3 A 14 PHE HB3 1.0 . 4.32 451 391 A 19 LEU HG A 14 PHE HB3 1.0 . 3.90 452 392 A 14 PHE H A 14 PHE HB3 1.0 . 3.81 453 393 A 14 PHE HB2 A 18 GLN HB3 1.0 . 5.50 454 394 A 54 TRP HZ2 A 58 ARG HD3 1.0 . 5.50 455 395 A 58 ARG H A 58 ARG HD3 1.0 . 5.50 456 396 A 58 ARG HD3 A 61 LYS HB2 1.0 . 4.93 457 396 A 61 LYS HB3 A 58 ARG HD3 1.0 . 4.93 458 397 A 58 ARG HD3 A 54 TRP HH2 1.0 . 5.50 459 398 A 58 ARG H A 58 ARG HD2 1.0 . 5.35 460 399 A 54 TRP HZ2 A 58 ARG HD2 1.0 . 4.97 461 400 A 55 PHE H A 55 PHE HB3 1.0 . 3.73 462 401 A 32 LEU HD2% A 55 PHE HB3 1.0 . 5.50 463 402 A 55 PHE HB3 A 51 VAL HG1% 1.0 . 5.50 464 403 A 54 TRP HE3 A 55 PHE HB2 1.0 . 4.70 465 404 A 55 PHE HB2 A 51 VAL HG1% 1.0 . 5.50 466 405 A 55 PHE HB3 A 52 LYS HA 1.0 . 4.79 467 406 A 54 TRP HE3 A 55 PHE HB3 1.0 . 4.78 468 407 A 71 SER H A 69 ASN HB3 1.0 . 5.20 469 408 A 62 TRP HA A 65 ILE HB 1.0 . 4.36 470 409 A 40 ILE HB A 32 LEU HD2% 1.0 . 4.86 471 410 A 40 ILE HB A 39 GLN H 1.0 . 4.84 472 411 A 40 ILE HB A 51 VAL HG1% 1.0 . 3.79 473 412 A 40 ILE HB A 40 ILE HD1% 1.0 . 3.65 474 413 A 40 ILE HB A 37 ARG HA 1.0 . 3.91 475 414 A 32 LEU HD1% A 40 ILE HB 1.0 . 5.45 476 415 A 53 ILE H A 53 ILE HB 1.0 . 3.14 477 416 A 53 ILE HB A 50 GLN HA 1.0 . 3.81 478 417 A 57 ASN HB2 A 60 ALA HB% 1.0 . 5.50 479 418 A 57 ASN HB3 A 60 ALA HB% 1.0 . 5.30 480 419 A 57 ASN HB3 A 53 ILE HG2% 1.0 . 5.37 481 420 A 57 ASN HB3 A 57 ASN H 1.0 . 3.35 482 421 A 58 ARG HB2 A 57 ASN HB2 1.0 . 5.50 483 422 A 48 GLU HG3 A 38 SER HA 1.0 . 4.55 484 423 A 48 GLU HG3 A 48 GLU HA 1.0 . 3.85 485 424 A 49 VAL H A 48 GLU HG2 1.0 . 4.70 486 425 A 38 SER HA A 48 GLU HG2 1.0 . 4.04 487 426 A 48 GLU HA A 48 GLU HG2 1.0 . 3.77 488 427 A 48 GLU H A 48 GLU HG2 1.0 . 4.35 489 428 A 41 ALA HB% A 48 GLU HG2 1.0 . 4.12 490 429 A 48 GLU HG3 A 37 ARG HD3 1.0 . 5.50 491 430 A 33 SER H A 36 GLU HG2 1.0 . 4.08 492 430 A 33 SER H A 36 GLU HG3 1.0 . 4.08 493 431 A 32 LEU HD1% A 36 GLU HG2 1.0 . 4.74 494 431 A 36 GLU HG3 A 32 LEU HD1% 1.0 . 4.74 495 432 A 32 LEU HD2% A 36 GLU HG2 1.0 . 5.50 496 432 A 36 GLU HG3 A 32 LEU HD2% 1.0 . 5.50 497 433 A 37 ARG H A 36 GLU HG2 1.0 . 4.43 498 433 A 37 ARG H A 36 GLU HG3 1.0 . 4.43 499 434 A 40 ILE HD1% A 36 GLU HG2 1.0 . 5.50 500 434 A 36 GLU HG3 A 40 ILE HD1% 1.0 . 5.50 501 435 A 18 GLN H A 17 GLU HG2 1.0 . 5.02 502 436 A 17 GLU HG2 A 17 GLU HA 1.0 . 3.67 503 437 A 20 LEU HD2% A 17 GLU HG2 1.0 . 5.50 504 438 A 17 GLU H A 17 GLU HG2 1.0 . 4.23 505 439 A 20 LEU HD2% A 17 GLU HG3 1.0 . 5.18 506 440 A 17 GLU H A 17 GLU HG3 1.0 . 4.34 507 441 A 49 VAL H A 50 GLN HG3 1.0 . 5.50 508 442 A 47 SER H A 50 GLN HG3 1.0 . 4.79 509 443 A 46 LEU HA A 50 GLN HG3 1.0 . 4.06 510 444 A 50 GLN H A 50 GLN HG3 1.0 . 3.66 511 445 A 50 GLN HE22 A 50 GLN HG3 1.0 . 4.03 512 446 A 49 VAL HG1% A 50 GLN HG3 1.0 . 5.01 513 447 A 50 GLN H A 50 GLN HG2 1.0 . 3.67 514 448 A 50 GLN HG2 A 50 GLN HE22 1.0 . 4.06 515 449 A 47 SER H A 50 GLN HG2 1.0 . 4.83 516 450 A 46 LEU HB2 A 50 GLN HG3 1.0 . 5.10 517 451 A 29 LYS H A 29 LYS HB3 1.0 . 4.20 518 452 A 30 LYS H A 29 LYS HB3 1.0 . 4.37 519 453 A 31 TYR H A 29 LYS HB3 1.0 . 4.90 520 454 A 32 LEU HD1% A 29 LYS HB3 1.0 . 4.16 521 455 A 30 LYS H A 29 LYS HB2 1.0 . 4.51 522 456 A 32 LEU HD1% A 29 LYS HB2 1.0 . 4.18 523 457 A 31 TYR H A 29 LYS HB2 1.0 . 4.73 524 458 A 21 GLU H A 21 GLU HG2 1.0 . 3.76 525 459 A 44 LEU HD1% A 21 GLU HG2 1.0 . 4.07 526 460 A 21 GLU H A 21 GLU HG3 1.0 . 3.71 527 461 A 29 LYS HB2 A 25 GLU HB2 1.0 . 5.25 528 461 A 29 LYS HB2 A 25 GLU HB3 1.0 . 5.25 529 462 A 29 LYS HB2 A 26 PHE HA 1.0 . 5.50 530 463 A 29 LYS H A 29 LYS HB2 1.0 . 4.10 531 464 A 21 GLU HG2 A 20 LEU HD2% 1.0 . 5.50 532 465 A 18 GLN HA A 21 GLU HG2 1.0 . 5.40 533 466 A 29 LYS HB2 A 25 GLU HG2 1.0 . 5.50 534 466 A 29 LYS HB2 A 25 GLU HG3 1.0 . 5.50 535 467 A 15 THR HG2% A 18 GLN HG2 1.0 . 5.50 536 468 A 15 THR H A 18 GLN HG2 1.0 . 4.95 537 469 A 18 GLN HA A 18 GLN HG2 1.0 . 3.92 538 470 A 18 GLN HG3 A 15 THR H 1.0 . 5.33 539 471 A 18 GLN HG3 A 18 GLN HE22 1.0 . 3.86 540 472 A 46 LEU HD2% A 18 GLN HG3 1.0 . 5.45 541 473 A 19 LEU H A 18 GLN HG2 1.0 . 5.50 542 474 A 23 GLU HG2 A 54 TRP HH2 1.0 . 5.38 543 475 A 23 GLU H A 23 GLU HG2 1.0 . 4.06 544 476 A 23 GLU HG3 A 20 LEU HA 1.0 . 5.39 545 477 A 22 LEU HA A 25 GLU HG2 1.0 . 5.04 546 477 A 25 GLU HG3 A 22 LEU HA 1.0 . 5.04 547 478 A 25 GLU HA A 25 GLU HG2 1.0 . 4.18 548 478 A 25 GLU HG3 A 25 GLU HA 1.0 . 4.18 549 479 A 32 LEU HD1% A 25 GLU HG2 1.0 . 5.13 550 479 A 32 LEU HD1% A 25 GLU HG3 1.0 . 5.13 551 480 A 22 LEU HB3 A 23 GLU HG2 1.0 . 5.50 552 481 A 23 GLU HG3 A 54 TRP HZ2 1.0 . 4.55 553 482 A 22 LEU H A 23 GLU HG3 1.0 . 4.06 554 483 A 23 GLU HG3 A 23 GLU HA 1.0 . 4.07 555 484 A 56 GLN HG2 A 52 LYS HG3 1.0 . 5.50 556 485 A 56 GLN HG2 A 56 GLN HA 1.0 . 4.03 557 486 A 52 LYS HG2 A 56 GLN HG2 1.0 . 5.50 558 487 A 57 ASN H A 56 GLN HG2 1.0 . 5.40 559 488 A 39 GLN HG2 A 39 GLN HA 1.0 . 3.76 560 489 A 39 GLN HG2 A 36 GLU HA 1.0 . 4.24 561 490 A 52 LYS HG2 A 56 GLN HG3 1.0 . 5.31 562 491 A 56 GLN H A 56 GLN HG3 1.0 . 4.04 563 492 A 53 ILE HA A 56 GLN HG3 1.0 . 4.66 564 493 A 12 THR HA A 12 THR HB 1.0 . 2.96 565 494 A 12 THR HB A 13 ALA HB% 1.0 . 5.21 566 495 A 39 GLN H A 39 GLN HG3 1.0 . 3.76 567 496 A 40 ILE H A 39 GLN HG3 1.0 . 4.73 568 497 A 52 LYS HB2 A 49 VAL H 1.0 . 4.92 569 498 A 52 LYS HB2 A 51 VAL H 1.0 . 5.21 570 499 A 37 ARG HD2 A 52 LYS HB2 1.0 . 5.43 571 500 A 52 LYS HB2 A 52 LYS HE2 1.0 . 4.65 572 500 A 52 LYS HB2 A 52 LYS HE3 1.0 . 4.65 573 501 A 53 ILE H A 52 LYS HB3 1.0 . 4.09 574 502 A 52 LYS HB3 A 51 VAL H 1.0 . 4.97 575 503 A 52 LYS HB3 A 52 LYS HE2 1.0 . 5.02 576 503 A 52 LYS HB3 A 52 LYS HE3 1.0 . 5.02 577 504 A 52 LYS HB3 A 49 VAL H 1.0 . 5.50 578 505 A 37 ARG HD3 A 52 LYS HB3 1.0 . 5.16 579 506 A 49 VAL HA A 52 LYS HB2 1.0 . 3.56 580 507 A 49 VAL HA A 52 LYS HB3 1.0 . 3.74 581 508 A 37 ARG HD2 A 52 LYS HB3 1.0 . 4.54 582 509 A 62 TRP H A 61 LYS HB2 1.0 . 3.63 583 509 A 61 LYS HB3 A 62 TRP H 1.0 . 3.63 584 510 A 62 TRP HA A 61 LYS HB2 1.0 . 4.77 585 510 A 62 TRP HA A 61 LYS HB3 1.0 . 4.77 586 511 A 63 LYS H A 63 LYS HB2 1.0 . 3.11 587 511 A 63 LYS H A 63 LYS HB3 1.0 . 3.11 588 512 A 64 ARG H A 63 LYS HB2 1.0 . 3.74 589 512 A 64 ARG H A 63 LYS HB3 1.0 . 3.74 590 513 A 65 ILE HD1% A 61 LYS HB2 1.0 . 5.22 591 513 A 61 LYS HB3 A 65 ILE HD1% 1.0 . 5.22 592 514 A 35 THR HB A 36 GLU HG2 1.0 . 5.35 593 514 A 36 GLU HG3 A 35 THR HB 1.0 . 5.35 594 515 A 35 THR H A 35 THR HB 1.0 . 3.80 595 516 A 36 GLU H A 35 THR HB 1.0 . 3.89 596 517 A 30 LYS HB2 A 29 LYS HA 1.0 . 4.85 597 518 A 23 GLU HG2 A 24 LYS HB2 1.0 . 3.89 598 518 A 23 GLU HG2 A 24 LYS HB3 1.0 . 3.89 599 519 A 66 LYS H A 66 LYS HB3 1.0 . 3.60 600 520 A 67 ALA H A 66 LYS HB3 1.0 . 4.33 601 521 A 66 LYS HB2 A 67 ALA H 1.0 . 4.44 602 522 A 63 LYS HA A 66 LYS HB2 1.0 . 4.43 603 523 A 31 TYR H A 30 LYS HB2 1.0 . 4.29 604 524 A 31 TYR H A 30 LYS HB3 1.0 . 4.97 605 525 A 25 GLU H A 24 LYS HB2 1.0 . 3.50 606 525 A 25 GLU H A 24 LYS HB3 1.0 . 3.50 607 526 A 24 LYS H A 24 LYS HB2 1.0 . 3.02 608 526 A 24 LYS H A 24 LYS HB3 1.0 . 3.02 609 527 A 24 LYS HB3 A 24 LYS HD2 1.0 . 2.99 610 527 A 24 LYS HD3 A 24 LYS HB2 1.0 . 2.99 611 527 A 24 LYS HD3 A 24 LYS HB3 1.0 . 2.99 612 527 A 24 LYS HB2 A 24 LYS HD2 1.0 . 2.99 613 528 A 52 LYS H A 51 VAL HB 1.0 . 3.59 614 529 A 59 ARG HB2 A 62 TRP HZ3 1.0 . 5.50 615 530 A 59 ARG HB2 A 26 PHE HE% 1.0 . 5.32 616 531 A 59 ARG HB3 A 56 GLN HA 1.0 . 5.06 617 532 A 50 GLN H A 49 VAL HB 1.0 . 3.64 618 533 A 22 LEU HG A 51 VAL HA 1.0 . 5.25 619 534 A 22 LEU HD1% A 51 VAL HA 1.0 . 5.50 620 535 A 48 GLU H A 49 VAL HB 1.0 . 5.50 621 536 A 59 ARG HG2 A 62 TRP HE3 1.0 . 5.01 622 537 A 8 ARG HB3 A 8 ARG HD2 1.0 . 3.47 623 537 A 8 ARG HD3 A 8 ARG HB2 1.0 . 3.47 624 537 A 8 ARG HB3 A 8 ARG HD3 1.0 . 3.47 625 537 A 8 ARG HB2 A 8 ARG HD2 1.0 . 3.47 626 538 A 15 THR HB A 10 ARG HB2 1.0 . 4.32 627 539 A 11 ARG HB2 A 9 ARG HD2 1.0 . 3.49 628 539 A 9 ARG HD3 A 11 ARG HB2 1.0 . 3.49 629 540 A 11 ARG HB2 A 9 ARG HG2 1.0 . 2.40 630 540 A 9 ARG HG3 A 11 ARG HB2 1.0 . 2.40 631 541 A 15 THR HB A 9 ARG HB3 1.0 . 4.85 632 541 A 15 THR HB A 9 ARG HB2 1.0 . 4.85 633 542 A 32 LEU HD2% A 37 ARG HB2 1.0 . 4.64 634 542 A 32 LEU HD2% A 37 ARG HB3 1.0 . 4.64 635 543 A 36 GLU H A 36 GLU HB3 1.0 . 3.68 636 544 A 33 SER H A 36 GLU HB2 1.0 . 4.00 637 545 A 36 GLU HB3 A 40 ILE HD1% 1.0 . 5.50 638 546 A 65 ILE H A 64 ARG HB2 1.0 . 3.72 639 546 A 65 ILE H A 64 ARG HB3 1.0 . 3.72 640 547 A 65 ILE HD1% A 64 ARG HB2 1.0 . 5.11 641 547 A 64 ARG HB3 A 65 ILE HD1% 1.0 . 5.11 642 548 A 35 THR HG2% A 35 THR HA 1.0 . 3.90 643 549 A 36 GLU HB2 A 40 ILE HD1% 1.0 . 5.50 644 550 A 53 ILE H A 49 VAL HA 1.0 . 5.17 645 551 A 21 GLU H A 21 GLU HB3 1.0 . 3.65 646 552 A 44 LEU HD1% A 21 GLU HB3 1.0 . 3.63 647 553 A 22 LEU H A 21 GLU HB3 1.0 . 4.11 648 554 A 18 GLN HA A 21 GLU HB3 1.0 . 4.29 649 555 A 21 GLU HB2 A 20 LEU HD2% 1.0 . 5.50 650 556 A 21 GLU HB2 A 18 GLN HA 1.0 . 4.48 651 557 A 21 GLU HB2 A 21 GLU H 1.0 . 3.59 652 558 A 21 GLU HB2 A 44 LEU HD1% 1.0 . 3.78 653 559 A 52 LYS HB2 A 52 LYS HD3 1.0 . 4.06 654 560 A 40 ILE HG13 A 25 GLU HG2 1.0 . 5.50 655 560 A 25 GLU HG3 A 40 ILE HG13 1.0 . 5.50 656 561 A 32 LEU HD2% A 40 ILE HG13 1.0 . 5.50 657 562 A 34 LEU HB2 A 35 THR HA 1.0 . 5.09 658 563 A 46 LEU HD2% A 50 GLN HB2 1.0 . 5.50 659 564 A 52 LYS H A 52 LYS HD3 1.0 . 5.02 660 565 A 40 ILE H A 40 ILE HG12 1.0 . 3.54 661 566 A 39 GLN H A 40 ILE HG12 1.0 . 5.50 662 567 A 40 ILE H A 40 ILE HG13 1.0 . 4.01 663 568 A 40 ILE HG13 A 25 GLU HB2 1.0 . 4.57 664 568 A 25 GLU HB3 A 40 ILE HG13 1.0 . 4.57 665 569 A 40 ILE HG2% A 40 ILE HG13 1.0 . 4.11 666 570 A 32 LEU HD1% A 40 ILE HG13 1.0 . 5.50 667 571 A 63 LYS H A 62 TRP HB2 1.0 . 3.93 668 572 A 62 TRP HB2 A 26 PHE HE% 1.0 . 5.50 669 573 A 62 TRP HB3 A 26 PHE HE% 1.0 . 4.47 670 574 A 63 LYS H A 62 TRP HB3 1.0 . 4.32 671 575 A 50 GLN HB3 A 51 VAL HA 1.0 . 5.50 672 576 A 50 GLN H A 50 GLN HB3 1.0 . 3.39 673 577 A 50 GLN HB3 A 50 GLN HE22 1.0 . 5.06 674 578 A 50 GLN HB3 A 46 LEU HA 1.0 . 4.50 675 579 A 50 GLN H A 50 GLN HB2 1.0 . 3.50 676 580 A 32 LEU HD1% A 40 ILE HG12 1.0 . 4.21 677 581 A 52 LYS HA A 52 LYS HD2 1.0 . 5.41 678 582 A 24 LYS H A 24 LYS HD2 1.0 . 4.45 679 582 A 24 LYS H A 24 LYS HD3 1.0 . 4.45 680 583 A 32 LEU HD2% A 40 ILE HG12 1.0 . 5.50 681 584 A 61 LYS H A 61 LYS HD2 1.0 . 5.00 682 584 A 61 LYS H A 61 LYS HD3 1.0 . 5.00 683 585 A 58 ARG HA A 61 LYS HD2 1.0 . 4.81 684 585 A 61 LYS HD3 A 58 ARG HA 1.0 . 4.81 685 586 A 58 ARG HD3 A 61 LYS HD2 1.0 . 5.50 686 586 A 58 ARG HD3 A 61 LYS HD3 1.0 . 5.50 687 587 A 62 TRP H A 61 LYS HD2 1.0 . 5.12 688 587 A 62 TRP H A 61 LYS HD3 1.0 . 5.12 689 588 A 35 THR H A 33 SER HB3 1.0 . 5.03 690 589 A 33 SER HB2 A 36 GLU HG2 1.0 . 5.04 691 589 A 36 GLU HG3 A 33 SER HB2 1.0 . 5.04 692 590 A 61 LYS HB2 A 61 LYS HD2 1.0 . 3.58 693 590 A 61 LYS HB3 A 61 LYS HD2 1.0 . 3.58 694 590 A 61 LYS HD3 A 61 LYS HB2 1.0 . 3.58 695 590 A 61 LYS HB3 A 61 LYS HD3 1.0 . 3.58 696 591 A 65 ILE HD1% A 61 LYS HD2 1.0 . 5.42 697 591 A 65 ILE HD1% A 61 LYS HD3 1.0 . 5.42 698 592 A 61 LYS HA A 61 LYS HD2 1.0 . 4.62 699 592 A 61 LYS HA A 61 LYS HD3 1.0 . 4.62 700 593 A 63 LYS HA A 63 LYS HD2 1.0 . 5.50 701 593 A 63 LYS HA A 63 LYS HD3 1.0 . 5.50 702 594 A 53 ILE HG13 A 56 GLN HE21 1.0 . 5.50 703 595 A 50 GLN H A 47 SER HB3 1.0 . 4.77 704 596 A 47 SER HB3 A 50 GLN HG2 1.0 . 5.11 705 597 A 17 GLU H A 17 GLU HB2 1.0 . 3.45 706 598 A 18 GLN H A 17 GLU HB2 1.0 . 3.99 707 599 A 53 ILE HA A 53 ILE HG12 1.0 . 3.70 708 600 A 53 ILE H A 53 ILE HG12 1.0 . 3.44 709 601 A 54 TRP H A 53 ILE HG12 1.0 . 5.02 710 602 A 54 TRP H A 53 ILE HG13 1.0 . 5.31 711 603 A 53 ILE HG13 A 53 ILE HA 1.0 . 3.53 712 604 A 50 GLN H A 47 SER HB2 1.0 . 5.35 713 605 A 47 SER HB2 A 49 VAL HB 1.0 . 4.65 714 606 A 47 SER HB3 A 50 GLN HG3 1.0 . 5.50 715 607 A 47 SER HB3 A 49 VAL HB 1.0 . 4.46 716 608 A 23 GLU HB2 A 23 GLU H 1.0 . 3.48 717 609 A 23 GLU HB2 A 54 TRP HH2 1.0 . 5.50 718 610 A 37 ARG HG2 A 48 GLU HB2 1.0 . 4.02 719 610 A 48 GLU HB3 A 37 ARG HG2 1.0 . 4.02 720 611 A 49 VAL H A 48 GLU HB2 1.0 . 3.75 721 611 A 48 GLU HB3 A 49 VAL H 1.0 . 3.75 722 612 A 37 ARG HD2 A 48 GLU HB2 1.0 . 4.69 723 612 A 48 GLU HB3 A 37 ARG HD2 1.0 . 4.69 724 613 A 23 GLU H A 23 GLU HB3 1.0 . 3.54 725 614 A 37 ARG HD3 A 48 GLU HB2 1.0 . 5.00 726 614 A 48 GLU HB3 A 37 ARG HD3 1.0 . 5.00 727 615 A 67 ALA H A 66 LYS HD2 1.0 . 5.50 728 615 A 67 ALA H A 66 LYS HD3 1.0 . 5.50 729 616 A 68 GLY H A 66 LYS HD2 1.0 . 5.50 730 616 A 68 GLY H A 66 LYS HD3 1.0 . 5.50 731 617 A 66 LYS HB3 A 66 LYS HD2 1.0 . 2.50 732 617 A 66 LYS HB3 A 66 LYS HD3 1.0 . 2.50 733 618 A 53 ILE HG13 A 52 LYS HE2 1.0 . 4.92 734 618 A 53 ILE HG13 A 52 LYS HE3 1.0 . 4.92 735 619 A 54 TRP HB3 A 14 PHE HE% 1.0 . 4.98 736 620 A 54 TRP HB3 A 55 PHE H 1.0 . 4.37 737 621 A 55 PHE HD% A 54 TRP HB3 1.0 . 5.46 738 622 A 54 TRP HB3 A 22 LEU HG 1.0 . 5.29 739 623 A 54 TRP HB2 A 14 PHE HE% 1.0 . 4.06 740 624 A 22 LEU HD1% A 54 TRP HB2 1.0 . 5.13 741 625 A 42 HIS H A 42 HIS HB2 1.0 . 2.73 742 625 A 42 HIS HB3 A 42 HIS H 1.0 . 2.73 743 626 A 26 PHE H A 27 HIS HB2 1.0 . 4.01 744 626 A 26 PHE H A 27 HIS HB3 1.0 . 4.01 745 627 A 62 TRP HE1 A 66 LYS HD2 1.0 . 5.50 746 627 A 62 TRP HE1 A 66 LYS HD3 1.0 . 5.50 747 628 A 66 LYS HA A 66 LYS HD2 1.0 . 4.48 748 628 A 66 LYS HA A 66 LYS HD3 1.0 . 4.48 749 629 A 66 LYS HD2 A 66 LYS HG2 1.0 . 2.94 750 629 A 66 LYS HD3 A 66 LYS HG2 1.0 . 2.94 751 629 A 66 LYS HG3 A 66 LYS HD2 1.0 . 2.94 752 629 A 66 LYS HG3 A 66 LYS HD3 1.0 . 2.94 753 630 A 62 TRP HB2 A 66 LYS HD2 1.0 . 5.50 754 630 A 62 TRP HB2 A 66 LYS HD3 1.0 . 5.50 755 631 A 63 LYS HE3 A 66 LYS HD2 1.0 . 4.07 756 631 A 66 LYS HD3 A 63 LYS HE2 1.0 . 4.07 757 631 A 63 LYS HE3 A 66 LYS HD3 1.0 . 4.07 758 631 A 63 LYS HE2 A 66 LYS HD2 1.0 . 4.07 759 632 A 54 TRP HB3 A 51 VAL HG1% 1.0 . 5.50 760 633 A 54 TRP HB2 A 55 PHE H 1.0 . 4.42 761 634 A 54 TRP HB2 A 53 ILE HG2% 1.0 . 5.50 762 635 A 40 ILE HA A 40 ILE HG12 1.0 . 3.45 763 636 A 40 ILE HA A 40 ILE HG13 1.0 . 3.58 764 637 A 56 GLN HB2 A 53 ILE HA 1.0 . 3.70 765 638 A 56 GLN H A 56 GLN HB2 1.0 . 3.13 766 639 A 56 GLN HB3 A 53 ILE HA 1.0 . 3.61 767 640 A 57 ASN H A 56 GLN HB3 1.0 . 3.70 768 641 A 56 GLN HB2 A 56 GLN HE21 1.0 . 5.36 769 642 A 32 LEU HD1% A 25 GLU HB2 1.0 . 4.61 770 642 A 32 LEU HD1% A 25 GLU HB3 1.0 . 4.61 771 643 A 56 GLN HB3 A 56 GLN HE21 1.0 . 5.46 772 644 A 45 LYS HB3 A 18 GLN HE22 1.0 . 4.82 773 645 A 18 GLN HE22 A 45 LYS HB2 1.0 . 5.31 774 646 A 56 GLN H A 53 ILE HA 1.0 . 4.08 775 647 A 45 LYS HB3 A 18 GLN HE21 1.0 . 5.01 776 648 A 40 ILE H A 39 GLN HB2 1.0 . 3.61 777 649 A 45 LYS HB3 A 45 LYS HE2 1.0 . 4.98 778 649 A 45 LYS HB3 A 45 LYS HE3 1.0 . 4.98 779 650 A 46 LEU H A 45 LYS HB2 1.0 . 4.76 780 651 A 18 GLN HE21 A 45 LYS HB2 1.0 . 5.45 781 652 A 46 LEU HD1% A 45 LYS HB2 1.0 . 5.50 782 653 A 39 GLN HB2 A 42 HIS HB2 1.0 . 5.50 783 653 A 42 HIS HB3 A 39 GLN HB2 1.0 . 5.50 784 654 A 18 GLN HB2 A 46 LEU HD2% 1.0 . 5.50 785 655 A 18 GLN HB2 A 46 LEU HD1% 1.0 . 5.07 786 656 A 22 LEU HD1% A 18 GLN HB2 1.0 . 5.50 787 657 A 15 THR HB A 18 GLN HB2 1.0 . 4.95 788 658 A 19 LEU H A 18 GLN HB3 1.0 . 4.68 789 659 A 18 GLN HB3 A 14 PHE HA 1.0 . 4.95 790 660 A 65 ILE HG13 A 61 LYS HE2 1.0 . 5.50 791 660 A 61 LYS HE3 A 65 ILE HG13 1.0 . 5.50 792 661 A 32 LEU HD2% A 37 ARG HG3 1.0 . 4.70 793 662 A 37 ARG H A 37 ARG HG3 1.0 . 4.49 794 663 A 38 SER H A 37 ARG HG3 1.0 . 4.91 795 664 A 62 TRP HA A 65 ILE HG12 1.0 . 5.00 796 665 A 38 SER H A 37 ARG HG2 1.0 . 4.94 797 666 A 32 LEU HD2% A 37 ARG HG2 1.0 . 5.04 798 667 A 37 ARG H A 37 ARG HG2 1.0 . 4.90 799 668 A 37 ARG HG2 A 51 VAL HG1% 1.0 . 4.90 800 669 A 65 ILE H A 65 ILE HG13 1.0 . 3.81 801 670 A 62 TRP HA A 65 ILE HG13 1.0 . 5.50 802 671 A 37 ARG HG3 A 51 VAL HG1% 1.0 . 4.26 803 672 A 22 LEU HD1% A 54 TRP HA 1.0 . 5.50 804 673 A 54 TRP HA A 57 ASN HB3 1.0 . 4.42 805 674 A 54 TRP HA A 57 ASN HB2 1.0 . 3.84 806 675 A 55 PHE HA A 51 VAL HG1% 1.0 . 5.50 807 676 A 54 TRP HE3 A 55 PHE HA 1.0 . 3.68 808 677 A 58 ARG H A 55 PHE HA 1.0 . 3.98 809 678 A 58 ARG HB3 A 55 PHE HA 1.0 . 3.74 810 679 A 58 ARG HB2 A 55 PHE HA 1.0 . 4.19 811 680 A 64 ARG H A 64 ARG HG3 1.0 . 4.05 812 681 A 64 ARG H A 64 ARG HG2 1.0 . 4.20 813 682 A 26 PHE HE% A 30 LYS HD3 1.0 . 5.50 814 683 A 30 LYS HA A 30 LYS HD2 1.0 . 4.64 815 684 A 54 TRP HA A 53 ILE HB 1.0 . 5.04 816 685 A 34 LEU H A 34 LEU HG 1.0 . 3.78 817 686 A 33 SER HA A 34 LEU HG 1.0 . 5.50 818 687 A 9 ARG HA A 9 ARG HG2 1.0 . 3.53 819 687 A 9 ARG HG3 A 9 ARG HA 1.0 . 3.53 820 688 A 46 LEU HD2% A 47 SER H 1.0 . 4.89 821 689 A 46 LEU HD2% A 18 GLN HE22 1.0 . 5.50 822 690 A 46 LEU HD2% A 18 GLN HE21 1.0 . 5.39 823 691 A 46 LEU HD2% A 46 LEU HA 1.0 . 4.30 824 692 A 46 LEU HD2% A 44 LEU HA 1.0 . 5.30 825 693 A 46 LEU HD2% A 41 ALA HA 1.0 . 4.40 826 694 A 46 LEU HD2% A 18 GLN HG2 1.0 . 4.43 827 695 A 46 LEU HD2% A 46 LEU HB2 1.0 . 3.31 828 696 A 44 LEU HD2% A 46 LEU HD2% 1.0 . 3.31 829 697 A 22 LEU HD1% A 46 LEU HD2% 1.0 . 3.82 830 698 A 37 ARG H A 38 SER HB3 1.0 . 5.41 831 699 A 20 LEU HA A 20 LEU HG 1.0 . 3.72 832 700 A 41 ALA HB% A 38 SER HB3 1.0 . 5.46 833 701 A 38 SER HB3 A 39 GLN HG3 1.0 . 5.50 834 702 A 38 SER H A 38 SER HB2 1.0 . 3.16 835 703 A 40 ILE HG2% A 44 LEU HG 1.0 . 4.62 836 704 A 19 LEU HA A 19 LEU HG 1.0 . 4.10 837 705 A 22 LEU HD1% A 19 LEU HG 1.0 . 5.45 838 706 A 48 GLU HG3 A 38 SER HB2 1.0 . 5.50 839 707 A 45 LYS H A 44 LEU HG 1.0 . 5.50 840 708 A 44 LEU HG A 44 LEU HA 1.0 . 4.14 841 709 A 14 PHE HB2 A 19 LEU HG 1.0 . 3.84 842 710 A 19 LEU HG A 14 PHE HA 1.0 . 5.28 843 711 A 55 PHE HD% A 32 LEU HG 1.0 . 5.31 844 712 A 32 LEU HG A 55 PHE HE2 1.0 . 5.50 845 713 A 32 LEU H A 32 LEU HD2% 1.0 . 4.64 846 714 A 32 LEU HD2% A 32 LEU HA 1.0 . 4.50 847 715 A 17 GLU HB3 A 16 SER HA 1.0 . 5.50 848 716 A 17 GLU H A 16 SER HA 1.0 . 3.55 849 717 A 46 LEU HG A 18 GLN HG3 1.0 . 5.40 850 718 A 44 LEU HD2% A 46 LEU H 1.0 . 5.50 851 719 A 44 LEU HD2% A 44 LEU H 1.0 . 4.04 852 720 A 44 LEU HD2% A 18 GLN HE21 1.0 . 5.50 853 721 A 44 LEU HD2% A 44 LEU HA 1.0 . 4.12 854 722 A 37 ARG H A 32 LEU HD2% 1.0 . 5.14 855 723 A 55 PHE HD% A 32 LEU HD2% 1.0 . 4.71 856 724 A 32 LEU HD2% A 55 PHE HE2 1.0 . 4.47 857 725 A 32 LEU HD2% A 36 GLU HB3 1.0 . 4.66 858 726 A 32 LEU HD2% A 37 ARG HD2 1.0 . 5.50 859 727 A 70 VAL HA A 70 VAL HG2% 1.0 . 4.08 860 728 A 65 ILE HA A 65 ILE HG13 1.0 . 3.53 861 729 A 65 ILE HA A 65 ILE HG12 1.0 . 3.78 862 730 A 15 THR HA A 16 SER HA 1.0 . 4.81 863 731 A 19 LEU HB3 A 16 SER HA 1.0 . 4.82 864 732 A 19 LEU HD2% A 16 SER HA 1.0 . 4.12 865 733 A 16 SER HA A 16 SER HB2 1.0 . 2.45 866 733 A 16 SER HB3 A 16 SER HA 1.0 . 2.45 867 734 A 19 LEU HB2 A 16 SER HA 1.0 . 4.46 868 735 A 41 ALA HA A 46 LEU HG 1.0 . 5.18 869 736 A 46 LEU HG A 18 GLN HE21 1.0 . 4.68 870 737 A 46 LEU HG A 46 LEU HA 1.0 . 4.06 871 738 A 44 LEU HD2% A 18 GLN HA 1.0 . 4.28 872 739 A 22 LEU HD1% A 44 LEU HD2% 1.0 . 4.44 873 740 A 44 LEU HD2% A 21 GLU H 1.0 . 5.36 874 741 A 44 LEU HD2% A 18 GLN HG2 1.0 . 5.19 875 742 A 17 GLU H A 16 SER HB2 1.0 . 4.32 876 742 A 17 GLU H A 16 SER HB3 1.0 . 4.32 877 743 A 17 GLU HB3 A 16 SER HB2 1.0 . 5.45 878 743 A 17 GLU HB3 A 16 SER HB3 1.0 . 5.45 879 744 A 38 SER HA A 48 GLU HA 1.0 . 5.06 880 745 A 64 ARG H A 65 ILE HA 1.0 . 5.06 881 746 A 20 LEU H A 16 SER HB2 1.0 . 5.37 882 746 A 20 LEU H A 16 SER HB3 1.0 . 5.37 883 747 A 44 LEU HD2% A 22 LEU HD2% 1.0 . 4.36 884 748 A 22 LEU H A 22 LEU HD2% 1.0 . 3.73 885 749 A 14 PHE H A 12 THR HA 1.0 . 5.22 886 750 A 21 GLU H A 22 LEU HD2% 1.0 . 5.50 887 751 A 12 THR HA A 13 ALA HB% 1.0 . 4.65 888 752 A 63 LYS HA A 63 LYS HG3 1.0 . 4.22 889 753 A 64 ARG H A 63 LYS HG2 1.0 . 5.30 890 754 A 63 LYS HG2 A 60 ALA HA 1.0 . 5.50 891 755 A 52 LYS H A 48 GLU HA 1.0 . 4.64 892 756 A 51 VAL H A 48 GLU HA 1.0 . 4.17 893 757 A 51 VAL HB A 48 GLU HA 1.0 . 3.50 894 758 A 48 GLU HA A 48 GLU HB2 1.0 . 2.97 895 758 A 48 GLU HB3 A 48 GLU HA 1.0 . 2.97 896 759 A 51 VAL HG2% A 48 GLU HA 1.0 . 3.97 897 760 A 41 ALA HB% A 48 GLU HA 1.0 . 3.42 898 761 A 63 LYS HG3 A 60 ALA HA 1.0 . 5.50 899 762 A 63 LYS H A 63 LYS HG2 1.0 . 4.19 900 763 A 20 LEU H A 19 LEU HD2% 1.0 . 4.90 901 764 A 54 TRP HE1 A 19 LEU HD2% 1.0 . 4.60 902 765 A 19 LEU HA A 19 LEU HD2% 1.0 . 4.22 903 766 A 19 LEU HB2 A 19 LEU HD2% 1.0 . 3.36 904 767 A 19 LEU H A 19 LEU HD2% 1.0 . 3.95 905 768 A 14 PHE HB3 A 19 LEU HD2% 1.0 . 4.15 906 769 A 14 PHE HB2 A 19 LEU HD2% 1.0 . 3.87 907 770 A 37 ARG HD2 A 48 GLU HA 1.0 . 4.88 908 771 A 48 GLU HA A 37 ARG HG3 1.0 . 5.50 909 772 A 62 TRP H A 63 LYS HG2 1.0 . 5.50 910 773 A 22 LEU HD1% A 19 LEU HD2% 1.0 . 5.20 911 774 A 37 ARG HD2 A 52 LYS HG3 1.0 . 5.34 912 775 A 52 LYS H A 52 LYS HG3 1.0 . 4.97 913 776 A 53 ILE HA A 52 LYS HG3 1.0 . 4.94 914 777 A 37 ARG HD3 A 52 LYS HG3 1.0 . 5.37 915 778 A 53 ILE H A 52 LYS HG3 1.0 . 4.99 916 779 A 62 TRP H A 61 LYS HG2 1.0 . 5.50 917 780 A 61 LYS H A 61 LYS HG2 1.0 . 4.56 918 781 A 61 LYS HA A 61 LYS HG2 1.0 . 4.07 919 782 A 65 ILE HD1% A 61 LYS HG2 1.0 . 4.75 920 783 A 24 LYS H A 24 LYS HG3 1.0 . 5.20 921 784 A 46 LEU HA A 45 LYS HG2 1.0 . 4.48 922 784 A 46 LEU HA A 45 LYS HG3 1.0 . 4.48 923 785 A 53 ILE H A 52 LYS HG2 1.0 . 5.50 924 786 A 46 LEU H A 45 LYS HG2 1.0 . 4.86 925 786 A 46 LEU H A 45 LYS HG3 1.0 . 4.86 926 787 A 61 LYS H A 61 LYS HG3 1.0 . 4.61 927 788 A 62 TRP H A 61 LYS HG3 1.0 . 5.01 928 789 A 20 LEU H A 20 LEU HD1% 1.0 . 4.55 929 790 A 20 LEU HA A 20 LEU HD1% 1.0 . 3.36 930 791 A 20 LEU HB3 A 20 LEU HD1% 1.0 . 3.51 931 792 A 21 GLU H A 20 LEU HD1% 1.0 . 5.07 932 793 A 25 GLU H A 24 LYS HG3 1.0 . 5.37 933 794 A 31 TYR H A 29 LYS HG2 1.0 . 5.28 934 794 A 31 TYR H A 29 LYS HG3 1.0 . 5.28 935 795 A 29 LYS H A 29 LYS HG2 1.0 . 4.69 936 795 A 29 LYS H A 29 LYS HG3 1.0 . 4.69 937 796 A 59 ARG HA A 59 ARG HG2 1.0 . 3.94 938 797 A 32 LEU HD1% A 29 LYS HG2 1.0 . 4.73 939 797 A 32 LEU HD1% A 29 LYS HG3 1.0 . 4.73 940 798 A 18 GLN HB2 A 15 THR HA 1.0 . 5.36 941 799 A 59 ARG HA A 62 TRP HZ3 1.0 . 5.48 942 800 A 62 TRP H A 59 ARG HA 1.0 . 4.23 943 801 A 62 TRP HB2 A 59 ARG HA 1.0 . 3.57 944 802 A 62 TRP HB3 A 59 ARG HA 1.0 . 4.02 945 803 A 62 TRP HZ2 A 66 LYS HG2 1.0 . 5.50 946 803 A 66 LYS HG3 A 62 TRP HZ2 1.0 . 5.50 947 804 A 15 THR HA A 19 LEU HD2% 1.0 . 5.17 948 805 A 15 THR HB A 15 THR HA 1.0 . 2.99 949 806 A 37 ARG HD3 A 37 ARG HA 1.0 . 5.10 950 807 A 63 LYS HA A 66 LYS HG2 1.0 . 4.67 951 807 A 63 LYS HA A 66 LYS HG3 1.0 . 4.67 952 808 A 10 ARG HA A 15 THR HA 1.0 . 4.38 953 809 A 20 LEU HB3 A 17 GLU HA 1.0 . 3.55 954 810 A 20 LEU HD2% A 17 GLU HA 1.0 . 5.03 955 811 A 20 LEU H A 17 GLU HA 1.0 . 4.35 956 812 A 40 ILE H A 37 ARG HA 1.0 . 4.21 957 813 A 37 ARG HA A 37 ARG HG3 1.0 . 3.73 958 814 A 37 ARG HA A 37 ARG HG2 1.0 . 3.89 959 815 A 37 ARG HA A 51 VAL HG1% 1.0 . 3.97 960 816 A 40 ILE HG2% A 37 ARG HA 1.0 . 4.66 961 817 A 32 LEU HD1% A 37 ARG HA 1.0 . 4.91 962 818 A 32 LEU HD2% A 37 ARG HA 1.0 . 3.56 963 819 A 55 PHE HD% A 52 LYS HA 1.0 . 4.61 964 820 A 55 PHE HB2 A 52 LYS HA 1.0 . 4.11 965 821 A 52 LYS HG2 A 52 LYS HA 1.0 . 3.92 966 822 A 52 LYS HG3 A 52 LYS HA 1.0 . 3.73 967 823 A 56 GLN H A 52 LYS HA 1.0 . 4.83 968 824 A 24 LYS HG2 A 24 LYS HA 1.0 . 3.47 969 825 A 24 LYS HA A 24 LYS HB2 1.0 . 2.77 970 825 A 24 LYS HA A 24 LYS HB3 1.0 . 2.77 971 826 A 44 LEU HD1% A 17 GLU HA 1.0 . 5.50 972 827 A 17 GLU HA A 17 GLU HG3 1.0 . 3.38 973 828 A 36 GLU H A 37 ARG HA 1.0 . 5.50 974 829 A 22 LEU HD1% A 22 LEU H 1.0 . 4.14 975 830 A 22 LEU HD1% A 54 TRP HB3 1.0 . 4.29 976 831 A 22 LEU HD1% A 46 LEU HD1% 1.0 . 3.89 977 832 A 22 LEU HD1% A 22 LEU HB2 1.0 . 3.12 978 833 A 22 LEU HD1% A 22 LEU HB3 1.0 . 3.71 979 834 A 22 LEU HD1% A 18 GLN HB3 1.0 . 4.41 980 835 A 55 PHE H A 52 LYS HA 1.0 . 4.78 981 836 A 24 LYS HA A 24 LYS HG3 1.0 . 3.76 982 837 A 24 LYS HA A 27 HIS HB2 1.0 . 3.80 983 837 A 24 LYS HA A 27 HIS HB3 1.0 . 3.80 984 838 A 34 LEU H A 34 LEU HD2% 1.0 . 4.45 985 839 A 34 LEU HA A 34 LEU HD2% 1.0 . 3.23 986 840 A 21 GLU H A 20 LEU HD2% 1.0 . 5.44 987 841 A 20 LEU H A 20 LEU HD2% 1.0 . 4.29 988 842 A 30 LYS H A 30 LYS HG3 1.0 . 4.28 989 843 A 30 LYS HG2 A 29 LYS HA 1.0 . 5.50 990 844 A 31 TYR H A 30 LYS HG2 1.0 . 5.50 991 845 A 60 ALA H A 56 GLN HA 1.0 . 4.93 992 846 A 56 GLN HG3 A 56 GLN HA 1.0 . 3.80 993 847 A 47 SER HB2 A 51 VAL HG2% 1.0 . 5.50 994 848 A 51 VAL HG2% A 46 LEU HA 1.0 . 4.60 995 849 A 51 VAL HG2% A 52 LYS H 1.0 . 4.37 996 850 A 41 ALA H A 51 VAL HG2% 1.0 . 4.08 997 851 A 51 VAL HG2% A 51 VAL H 1.0 . 3.12 998 852 A 51 VAL HG2% A 51 VAL HA 1.0 . 2.92 999 853 A 51 VAL HG2% A 46 LEU HD1% 1.0 . 4.12 1000 854 A 51 VAL HG2% A 46 LEU HD2% 1.0 . 3.56 1001 855 A 51 VAL HG2% A 47 SER H 1.0 . 5.50 1002 856 A 51 VAL HG2% A 50 GLN HB3 1.0 . 4.68 1003 857 A 51 VAL HG2% A 50 GLN HB2 1.0 . 4.59 1004 858 A 51 VAL HG2% A 46 LEU HB2 1.0 . 4.20 1005 859 A 51 VAL HG2% A 32 LEU HD2% 1.0 . 5.50 1006 860 A 22 LEU HD1% A 51 VAL HG2% 1.0 . 5.06 1007 861 A 46 LEU H A 46 LEU HD1% 1.0 . 4.43 1008 862 A 46 LEU HA A 46 LEU HD1% 1.0 . 3.02 1009 863 A 50 GLN HB3 A 46 LEU HD1% 1.0 . 4.25 1010 864 A 50 GLN HB2 A 46 LEU HD1% 1.0 . 4.40 1011 865 A 46 LEU HB2 A 46 LEU HD1% 1.0 . 3.45 1012 866 A 46 LEU HD1% A 18 GLN HE21 1.0 . 3.77 1013 867 A 15 THR H A 46 LEU HD1% 1.0 . 5.29 1014 868 A 47 SER H A 46 LEU HD1% 1.0 . 4.02 1015 869 A 46 LEU HD1% A 50 GLN HE21 1.0 . 4.65 1016 870 A 54 TRP H A 50 GLN HA 1.0 . 4.36 1017 871 A 50 GLN HA A 53 ILE HG13 1.0 . 5.50 1018 872 A 53 ILE H A 50 GLN HA 1.0 . 4.26 1019 873 A 50 GLN HA A 53 ILE HG12 1.0 . 5.49 1020 874 A 14 PHE HE% A 50 GLN HA 1.0 . 5.09 1021 875 A 50 GLN HA A 50 GLN HG2 1.0 . 3.21 1022 876 A 50 GLN HA A 49 VAL HG1% 1.0 . 4.01 1023 877 A 19 LEU HD1% A 14 PHE HA 1.0 . 5.07 1024 878 A 54 TRP HE1 A 19 LEU HD1% 1.0 . 3.28 1025 879 A 19 LEU H A 19 LEU HD1% 1.0 . 3.86 1026 880 A 14 PHE HB2 A 19 LEU HD1% 1.0 . 3.56 1027 881 A 19 LEU HA A 19 LEU HD1% 1.0 . 2.99 1028 882 A 19 LEU HD1% A 14 PHE HB3 1.0 . 3.72 1029 883 A 19 LEU HD1% A 19 LEU HB3 1.0 . 3.34 1030 884 A 22 LEU HD1% A 19 LEU HD1% 1.0 . 3.76 1031 885 A 22 LEU HB3 A 19 LEU HD1% 1.0 . 5.09 1032 886 A 58 ARG H A 58 ARG HG3 1.0 . 5.50 1033 887 A 54 TRP HE3 A 58 ARG HG3 1.0 . 5.50 1034 888 A 58 ARG H A 58 ARG HG2 1.0 . 5.32 1035 889 A 39 GLN HA A 39 GLN HG3 1.0 . 3.52 1036 890 A 39 GLN HA A 42 HIS HB2 1.0 . 3.36 1037 890 A 42 HIS HB3 A 39 GLN HA 1.0 . 3.36 1038 891 A 21 GLU H A 18 GLN HA 1.0 . 4.34 1039 892 A 22 LEU HD1% A 18 GLN HA 1.0 . 5.50 1040 893 A 18 GLN HG3 A 18 GLN HA 1.0 . 3.59 1041 894 A 23 GLU HG2 A 23 GLU HA 1.0 . 4.09 1042 895 A 29 LYS H A 25 GLU HA 1.0 . 4.79 1043 896 A 39 GLN H A 36 GLU HA 1.0 . 3.74 1044 897 A 36 GLU HA A 36 GLU HG2 1.0 . 2.86 1045 897 A 36 GLU HG3 A 36 GLU HA 1.0 . 2.86 1046 898 A 34 LEU HA A 34 LEU HG 1.0 . 3.10 1047 899 A 32 LEU HD1% A 36 GLU HA 1.0 . 5.01 1048 900 A 18 GLN HA A 22 LEU HD2% 1.0 . 5.50 1049 901 A 41 ALA HB% A 42 HIS HA 1.0 . 4.69 1050 902 A 42 HIS HA A 42 HIS HB2 1.0 . 2.90 1051 902 A 42 HIS HB3 A 42 HIS HA 1.0 . 2.90 1052 903 A 45 LYS H A 42 HIS HA 1.0 . 4.73 1053 904 A 23 GLU HA A 26 PHE HB3 1.0 . 3.97 1054 905 A 25 GLU HA A 25 GLU HB2 1.0 . 3.02 1055 905 A 25 GLU HB3 A 25 GLU HA 1.0 . 3.02 1056 906 A 49 VAL H A 49 VAL HG2% 1.0 . 3.25 1057 907 A 50 GLN H A 49 VAL HG2% 1.0 . 4.19 1058 908 A 47 SER HB2 A 49 VAL HG2% 1.0 . 5.50 1059 909 A 49 VAL HA A 49 VAL HG2% 1.0 . 3.14 1060 910 A 49 VAL HG2% A 52 LYS HE2 1.0 . 4.17 1061 910 A 52 LYS HE3 A 49 VAL HG2% 1.0 . 4.17 1062 911 A 52 LYS HB2 A 49 VAL HG2% 1.0 . 4.45 1063 912 A 53 ILE HG13 A 49 VAL HG2% 1.0 . 4.25 1064 913 A 47 SER HB3 A 49 VAL HG2% 1.0 . 5.50 1065 914 A 7 SER HA A 8 ARG HB2 1.0 . 4.88 1066 914 A 8 ARG HB3 A 7 SER HA 1.0 . 4.88 1067 915 A 61 LYS HA A 61 LYS HB2 1.0 . 3.01 1068 915 A 61 LYS HB3 A 61 LYS HA 1.0 . 3.01 1069 916 A 64 ARG H A 61 LYS HA 1.0 . 4.74 1070 917 A 21 GLU H A 44 LEU HD1% 1.0 . 4.82 1071 918 A 44 LEU HD1% A 44 LEU HA 1.0 . 2.85 1072 919 A 44 LEU HD1% A 43 ALA HA 1.0 . 4.89 1073 920 A 44 LEU HD1% A 18 GLN HA 1.0 . 3.68 1074 921 A 44 LEU HD1% A 21 GLU HG3 1.0 . 3.66 1075 922 A 33 SER H A 32 LEU HD1% 1.0 . 4.18 1076 923 A 32 LEU HD1% A 32 LEU HA 1.0 . 3.19 1077 924 A 32 LEU HD1% A 36 GLU HB3 1.0 . 3.48 1078 925 A 36 GLU HB2 A 32 LEU HD1% 1.0 . 3.86 1079 926 A 32 LEU HD1% A 32 LEU HB2 1.0 . 3.43 1080 927 A 21 GLU HG3 A 21 GLU HA 1.0 . 4.04 1081 928 A 24 LYS H A 21 GLU HA 1.0 . 3.97 1082 929 A 21 GLU HG2 A 21 GLU HA 1.0 . 3.93 1083 930 A 21 GLU HB2 A 21 GLU HA 1.0 . 2.88 1084 931 A 21 GLU HA A 24 LYS HD2 1.0 . 3.63 1085 931 A 24 LYS HD3 A 21 GLU HA 1.0 . 3.63 1086 932 A 44 LEU HD1% A 21 GLU HA 1.0 . 4.94 1087 933 A 55 PHE H A 51 VAL HG1% 1.0 . 5.10 1088 934 A 52 LYS HA A 51 VAL HG1% 1.0 . 4.95 1089 935 A 52 LYS H A 51 VAL HG1% 1.0 . 4.27 1090 936 A 37 ARG HD2 A 51 VAL HG1% 1.0 . 4.52 1091 937 A 22 LEU HG A 51 VAL HG1% 1.0 . 3.82 1092 938 A 32 LEU HD2% A 51 VAL HG1% 1.0 . 3.66 1093 939 A 22 LEU HD1% A 51 VAL HG1% 1.0 . 5.50 1094 940 A 41 ALA H A 51 VAL HG1% 1.0 . 5.35 1095 941 A 22 LEU HA A 22 LEU HG 1.0 . 2.90 1096 942 A 32 LEU HD1% A 55 PHE HE1 1.0 . 4.55 1097 943 A 22 LEU HB2 A 22 LEU HG 1.0 . 2.43 1098 944 A 22 LEU HD1% A 22 LEU HA 1.0 . 4.61 1099 945 A 22 LEU HA A 25 GLU HB2 1.0 . 3.49 1100 945 A 25 GLU HB3 A 22 LEU HA 1.0 . 3.49 1101 946 A 21 GLU HB2 A 22 LEU HA 1.0 . 5.28 1102 947 A 23 GLU HA A 22 LEU HA 1.0 . 4.78 1103 948 A 22 LEU HA A 22 LEU HD2% 1.0 . 3.91 1104 949 A 44 LEU HD2% A 22 LEU HA 1.0 . 4.42 1105 950 A 20 LEU HD2% A 21 GLU HA 1.0 . 4.61 1106 951 A 22 LEU H A 20 LEU HA 1.0 . 5.19 1107 952 A 19 LEU HA A 22 LEU HB2 1.0 . 3.79 1108 953 A 22 LEU HD1% A 19 LEU HA 1.0 . 3.73 1109 954 A 19 LEU HA A 22 LEU HB3 1.0 . 4.10 1110 955 A 64 ARG HA A 64 ARG HG3 1.0 . 3.77 1111 956 A 63 LYS HA A 63 LYS HB2 1.0 . 2.95 1112 956 A 63 LYS HA A 63 LYS HB3 1.0 . 2.95 1113 957 A 63 LYS HA A 63 LYS HG2 1.0 . 3.56 1114 958 A 15 THR H A 15 THR HG2% 1.0 . 3.03 1115 959 A 17 GLU H A 15 THR HG2% 1.0 . 4.43 1116 960 A 18 GLN H A 15 THR HG2% 1.0 . 4.40 1117 961 A 15 THR HG2% A 14 PHE HA 1.0 . 3.90 1118 962 A 15 THR HA A 15 THR HG2% 1.0 . 3.13 1119 963 A 18 GLN HB2 A 15 THR HG2% 1.0 . 4.23 1120 964 A 18 GLN HG3 A 15 THR HG2% 1.0 . 5.50 1121 965 A 15 THR HG2% A 18 GLN HE21 1.0 . 4.67 1122 966 A 14 PHE HB3 A 15 THR HG2% 1.0 . 5.31 1123 967 A 35 THR H A 35 THR HG2% 1.0 . 3.83 1124 968 A 36 GLU H A 35 THR HG2% 1.0 . 4.32 1125 969 A 39 GLN HG2 A 35 THR HG2% 1.0 . 4.35 1126 970 A 35 THR HG2% A 39 GLN HG3 1.0 . 5.02 1127 971 A 35 THR HG2% A 36 GLU HG2 1.0 . 4.27 1128 971 A 36 GLU HG3 A 35 THR HG2% 1.0 . 4.27 1129 972 A 35 THR HG2% A 39 GLN HE21 1.0 . 4.79 1130 973 A 63 LYS HA A 64 ARG HA 1.0 . 5.09 1131 974 A 64 ARG HA A 64 ARG HD2 1.0 . 4.29 1132 974 A 64 ARG HA A 64 ARG HD3 1.0 . 4.29 1133 975 A 64 ARG HA A 64 ARG HB2 1.0 . 2.83 1134 975 A 64 ARG HA A 64 ARG HB3 1.0 . 2.83 1135 976 A 64 ARG HA A 64 ARG HG2 1.0 . 3.61 1136 977 A 19 LEU H A 15 THR HG2% 1.0 . 5.48 1137 978 A 14 PHE H A 12 THR HG2% 1.0 . 4.71 1138 979 A 13 ALA H A 12 THR HG2% 1.0 . 4.26 1139 980 A 12 THR HA A 12 THR HG2% 1.0 . 3.28 1140 981 A 13 ALA HB% A 12 THR HG2% 1.0 . 3.15 1141 982 A 45 LYS HA A 45 LYS HG2 1.0 . 3.40 1142 982 A 45 LYS HA A 45 LYS HG3 1.0 . 3.40 1143 983 A 45 LYS HA A 45 LYS HE2 1.0 . 5.23 1144 983 A 45 LYS HA A 45 LYS HE3 1.0 . 5.23 1145 984 A 70 VAL H A 70 VAL HG1% 1.0 . 5.16 1146 985 A 71 SER H A 70 VAL HG1% 1.0 . 5.29 1147 986 A 70 VAL HA A 70 VAL HG1% 1.0 . 4.13 1148 987 A 52 LYS H A 49 VAL HG1% 1.0 . 5.04 1149 988 A 50 GLN H A 49 VAL HG1% 1.0 . 3.60 1150 989 A 47 SER HB2 A 49 VAL HG1% 1.0 . 5.25 1151 990 A 47 SER HB3 A 49 VAL HG1% 1.0 . 5.48 1152 991 A 49 VAL HA A 49 VAL HG1% 1.0 . 3.41 1153 992 A 49 VAL HG1% A 53 ILE HG12 1.0 . 3.77 1154 993 A 49 VAL HG1% A 52 LYS HE2 1.0 . 4.77 1155 993 A 49 VAL HG1% A 52 LYS HE3 1.0 . 4.77 1156 994 A 52 LYS HB2 A 49 VAL HG1% 1.0 . 4.85 1157 995 A 65 ILE HG2% A 66 LYS HA 1.0 . 4.32 1158 996 A 66 LYS HA A 66 LYS HG2 1.0 . 3.61 1159 996 A 66 LYS HG3 A 66 LYS HA 1.0 . 3.61 1160 997 A 53 ILE HG13 A 49 VAL HG1% 1.0 . 3.70 1161 998 A 49 VAL HG1% A 50 GLN HG2 1.0 . 4.52 1162 999 A 48 GLU H A 47 SER HA 1.0 . 3.12 1163 1000 A 33 SER HA A 36 GLU HG2 1.0 . 5.48 1164 1000 A 36 GLU HG3 A 33 SER HA 1.0 . 5.48 1165 1001 A 29 LYS H A 26 PHE HA 1.0 . 4.26 1166 1002 A 14 PHE HD1 A 14 PHE HA 1.0 . 3.92 1167 1003 A 18 GLN HB2 A 14 PHE HA 1.0 . 3.98 1168 1004 A 15 THR H A 14 PHE HA 1.0 . 2.93 1169 1005 A 46 LEU HD1% A 14 PHE HA 1.0 . 4.52 1170 1006 A 32 LEU HD1% A 31 TYR HA 1.0 . 5.10 1171 1007 A 55 PHE HD% A 31 TYR HA 1.0 . 5.14 1172 1008 A 30 LYS H A 29 LYS HA 1.0 . 2.89 1173 1009 A 28 CYS H A 29 LYS HA 1.0 . 4.96 1174 1010 A 31 TYR H A 29 LYS HA 1.0 . 4.12 1175 1011 A 60 ALA H A 58 ARG HA 1.0 . 5.27 1176 1012 A 61 LYS H A 58 ARG HA 1.0 . 4.34 1177 1013 A 58 ARG HD3 A 58 ARG HA 1.0 . 3.50 1178 1014 A 58 ARG HA A 61 LYS HB2 1.0 . 3.86 1179 1014 A 61 LYS HB3 A 58 ARG HA 1.0 . 3.86 1180 1015 A 58 ARG HD2 A 58 ARG HA 1.0 . 3.94 1181 1016 A 10 ARG HA A 15 THR HB 1.0 . 3.16 1182 1017 A 10 ARG HA A 10 ARG HB2 1.0 . 2.86 1183 1018 A 8 ARG HA A 7 SER HB2 1.0 . 4.57 1184 1018 A 8 ARG HA A 7 SER HB3 1.0 . 4.57 1185 1019 A 41 ALA HA A 51 VAL HB 1.0 . 5.50 1186 1020 A 51 VAL HG2% A 41 ALA HA 1.0 . 3.43 1187 1021 A 41 ALA HA A 46 LEU HB2 1.0 . 3.62 1188 1022 A 41 ALA HA A 46 LEU HB3 1.0 . 3.34 1189 1023 A 62 TRP H A 58 ARG HA 1.0 . 5.39 1190 1024 A 26 PHE HD% A 30 LYS HA 1.0 . 4.34 1191 1025 A 30 LYS HD3 A 30 LYS HA 1.0 . 3.73 1192 1026 A 44 LEU HD2% A 41 ALA HA 1.0 . 4.78 1193 1027 A 30 LYS HG2 A 30 LYS HA 1.0 . 4.19 1194 1028 A 13 ALA HB% A 14 PHE HD2 1.0 . 5.01 1195 1029 A 13 ALA HB% A 14 PHE HD1 1.0 . 4.78 1196 1030 A 13 ALA HB% A 14 PHE HB3 1.0 . 4.97 1197 1031 A 14 PHE H A 13 ALA HB% 1.0 . 3.54 1198 1032 A 13 ALA HB% A 14 PHE HA 1.0 . 4.92 1199 1033 A 13 ALA HB% A 14 PHE HB2 1.0 . 5.14 1200 1034 A 60 ALA H A 57 ASN HA 1.0 . 3.84 1201 1035 A 61 LYS H A 57 ASN HA 1.0 . 4.77 1202 1036 A 57 ASN HA A 56 GLN HA 1.0 . 4.78 1203 1037 A 62 TRP H A 60 ALA HA 1.0 . 4.49 1204 1038 A 67 ALA H A 67 ALA HB% 1.0 . 3.27 1205 1039 A 67 ALA HB% A 66 LYS HG2 1.0 . 3.29 1206 1039 A 66 LYS HG3 A 67 ALA HB% 1.0 . 3.29 1207 1040 A 63 LYS H A 60 ALA HA 1.0 . 4.24 1208 1041 A 60 ALA HA A 63 LYS HB2 1.0 . 3.44 1209 1041 A 63 LYS HB3 A 60 ALA HA 1.0 . 3.44 1210 1042 A 45 LYS H A 43 ALA HA 1.0 . 5.41 1211 1043 A 43 ALA HA A 42 HIS HB2 1.0 . 5.04 1212 1043 A 42 HIS HB3 A 43 ALA HA 1.0 . 5.04 1213 1044 A 68 GLY H A 67 ALA HB% 1.0 . 4.24 1214 1045 A 43 ALA H A 43 ALA HB% 1.0 . 3.00 1215 1046 A 40 ILE HA A 43 ALA HB% 1.0 . 3.35 1216 1047 A 43 ALA HB% A 44 LEU HG 1.0 . 4.05 1217 1048 A 44 LEU HD1% A 43 ALA HB% 1.0 . 4.08 1218 1049 A 43 ALA HB% A 42 HIS HB2 1.0 . 4.51 1219 1049 A 42 HIS HB3 A 43 ALA HB% 1.0 . 4.51 1220 1050 A 18 GLN HG3 A 44 LEU HA 1.0 . 5.02 1221 1051 A 18 GLN HG2 A 44 LEU HA 1.0 . 5.40 1222 1052 A 45 LYS H A 43 ALA HB% 1.0 . 5.00 1223 1053 A 40 ILE HG2% A 43 ALA HB% 1.0 . 5.39 1224 1054 A 40 ILE HG2% A 41 ALA HA 1.0 . 4.14 1225 1055 A 41 ALA H A 40 ILE HG2% 1.0 . 3.67 1226 1056 A 40 ILE HG2% A 55 PHE HE2 1.0 . 4.70 1227 1057 A 40 ILE HA A 40 ILE HG2% 1.0 . 3.33 1228 1058 A 40 ILE HG2% A 25 GLU HG2 1.0 . 4.19 1229 1058 A 40 ILE HG2% A 25 GLU HG3 1.0 . 4.19 1230 1059 A 40 ILE HG2% A 25 GLU HB2 1.0 . 4.43 1231 1059 A 40 ILE HG2% A 25 GLU HB3 1.0 . 4.43 1232 1060 A 40 ILE HG2% A 51 VAL HG1% 1.0 . 2.83 1233 1061 A 44 LEU HD2% A 40 ILE HG2% 1.0 . 3.49 1234 1062 A 40 ILE HG2% A 44 LEU H 1.0 . 4.38 1235 1063 A 62 TRP H A 60 ALA HB% 1.0 . 5.28 1236 1064 A 60 ALA H A 60 ALA HB% 1.0 . 2.97 1237 1065 A 61 LYS H A 60 ALA HB% 1.0 . 3.49 1238 1066 A 57 ASN HA A 60 ALA HB% 1.0 . 3.25 1239 1067 A 59 ARG HB3 A 60 ALA HB% 1.0 . 5.24 1240 1068 A 47 SER H A 41 ALA HB% 1.0 . 5.05 1241 1069 A 60 ALA HB% A 58 ARG HA 1.0 . 5.50 1242 1070 A 51 VAL H A 41 ALA HB% 1.0 . 4.65 1243 1071 A 41 ALA H A 41 ALA HB% 1.0 . 2.95 1244 1072 A 41 ALA HB% A 42 HIS H 1.0 . 3.23 1245 1073 A 41 ALA HB% A 47 SER HA 1.0 . 4.01 1246 1074 A 38 SER HA A 41 ALA HB% 1.0 . 3.38 1247 1075 A 41 ALA HB% A 42 HIS HB2 1.0 . 4.57 1248 1075 A 42 HIS HB3 A 41 ALA HB% 1.0 . 4.57 1249 1076 A 46 LEU HB3 A 41 ALA HB% 1.0 . 3.30 1250 1077 A 51 VAL HG2% A 41 ALA HB% 1.0 . 3.21 1251 1078 A 48 GLU H A 41 ALA HB% 1.0 . 4.28 1252 1079 A 48 GLU HG3 A 41 ALA HB% 1.0 . 4.04 1253 1080 A 57 ASN H A 53 ILE HG2% 1.0 . 4.69 1254 1081 A 57 ASN HB2 A 53 ILE HG2% 1.0 . 4.94 1255 1082 A 53 ILE H A 53 ILE HG2% 1.0 . 3.85 1256 1083 A 54 TRP H A 53 ILE HG2% 1.0 . 3.94 1257 1084 A 53 ILE HG2% A 57 ASN HD21 1.0 . 3.61 1258 1085 A 54 TRP HA A 53 ILE HG2% 1.0 . 4.14 1259 1086 A 53 ILE HG2% A 53 ILE HA 1.0 . 3.18 1260 1087 A 53 ILE HG13 A 53 ILE HG2% 1.0 . 3.37 1261 1088 A 53 ILE HG2% A 53 ILE HD1% 1.0 . 3.20 1262 1089 A 66 LYS H A 65 ILE HG2% 1.0 . 3.80 1263 1090 A 65 ILE HA A 65 ILE HG2% 1.0 . 3.29 1264 1091 A 65 ILE HG2% A 65 ILE HG13 1.0 . 3.35 1265 1092 A 57 ASN HD22 A 53 ILE HG2% 1.0 . 3.81 1266 1093 A 50 GLN HA A 53 ILE HG2% 1.0 . 4.65 1267 1094 A 53 ILE HG2% A 56 GLN HG3 1.0 . 5.50 1268 1095 A 53 ILE HG2% A 53 ILE HG12 1.0 . 3.59 1269 1096 A 65 ILE H A 65 ILE HG2% 1.0 . 3.85 1270 1097 A 33 SER H A 32 LEU HA 1.0 . 3.13 1271 1098 A 33 SER HB2 A 32 LEU HA 1.0 . 4.18 1272 1099 A 14 PHE HD1 A 13 ALA HA 1.0 . 5.30 1273 1100 A 40 ILE HD1% A 25 GLU HA 1.0 . 5.50 1274 1101 A 40 ILE HD1% A 55 PHE HE2 1.0 . 4.89 1275 1102 A 40 ILE H A 40 ILE HD1% 1.0 . 4.06 1276 1103 A 40 ILE HD1% A 25 GLU HB2 1.0 . 3.43 1277 1103 A 40 ILE HD1% A 25 GLU HB3 1.0 . 3.43 1278 1104 A 40 ILE HG2% A 40 ILE HD1% 1.0 . 3.12 1279 1105 A 32 LEU HD1% A 40 ILE HD1% 1.0 . 3.74 1280 1106 A 32 LEU HD2% A 40 ILE HD1% 1.0 . 3.73 1281 1107 A 40 ILE HA A 40 ILE HD1% 1.0 . 4.31 1282 1108 A 37 ARG HA A 40 ILE HD1% 1.0 . 4.35 1283 1109 A 40 ILE HD1% A 25 GLU HG2 1.0 . 4.54 1284 1109 A 40 ILE HD1% A 25 GLU HG3 1.0 . 4.54 1285 1110 A 62 TRP HA A 65 ILE HD1% 1.0 . 4.25 1286 1111 A 65 ILE HB A 65 ILE HD1% 1.0 . 3.50 1287 1112 A 66 LYS H A 65 ILE HD1% 1.0 . 5.50 1288 1113 A 65 ILE H A 65 ILE HD1% 1.0 . 4.29 1289 1114 A 65 ILE HA A 65 ILE HD1% 1.0 . 3.91 1290 1115 A 50 GLN H A 53 ILE HD1% 1.0 . 4.95 1291 1116 A 53 ILE HB A 53 ILE HD1% 1.0 . 3.47 1292 1117 A 53 ILE H A 53 ILE HD1% 1.0 . 4.05 1293 1118 A 53 ILE HA A 53 ILE HD1% 1.0 . 3.83 1294 1119 A 49 VAL HG1% A 53 ILE HD1% 1.0 . 2.89 1295 1120 A 54 TRP H A 53 ILE HD1% 1.0 . 5.02 1296 1121 A 50 GLN HA A 53 ILE HD1% 1.0 . 4.18 1297 1122 A 53 ILE HD1% A 52 LYS HE2 1.0 . 4.77 1298 1122 A 53 ILE HD1% A 52 LYS HE3 1.0 . 4.77 1299 1123 A 46 LEU HB2 A 50 GLN HB3 1.0 . 4.11 1300 1124 A 46 LEU HB2 A 50 GLN HB2 1.0 . 5.26 1301 1125 A 46 LEU HB3 A 50 GLN HB3 1.0 . 4.50 1302 1126 A 46 LEU HD2% A 46 LEU HB3 1.0 . 4.08 1303 1127 A 31 TYR HD% A 31 TYR HA 1.0 . 3.75 1304 1128 A 31 TYR HD% A 30 LYS H 1.0 . 4.49 1305 1129 A 31 TYR HD% A 31 TYR H 1.0 . 3.24 1306 1130 A 31 TYR HD% A 30 LYS HB2 1.0 . 3.50 1307 1131 A 31 TYR HD% A 30 LYS HB3 1.0 . 4.01 1308 1132 A 31 TYR HD% A 30 LYS HG3 1.0 . 5.34 1309 1133 A 55 PHE HE2 A 51 VAL HG1% 1.0 . 3.80 1310 1134 A 22 LEU HG A 55 PHE HE2 1.0 . 3.40 1311 1135 A 55 PHE HE2 A 25 GLU HB2 1.0 . 4.28 1312 1135 A 25 GLU HB3 A 55 PHE HE2 1.0 . 4.28 1313 1136 A 22 LEU HA A 55 PHE HE2 1.0 . 4.42 1314 1137 A 55 PHE HD% A 22 LEU HG 1.0 . 4.01 1315 1138 A 55 PHE HD% A 55 PHE H 1.0 . 3.70 1316 1139 A 55 PHE HD% A 54 TRP HE3 1.0 . 3.36 1317 1140 A 55 PHE HD% A 55 PHE HA 1.0 . 3.65 1318 1141 A 55 PHE HD% A 51 VAL HG1% 1.0 . 3.38 1319 1142 A 55 PHE HD% A 54 TRP HZ3 1.0 . 4.95 1320 1143 A 14 PHE HA A 14 PHE HD2 1.0 . 4.05 1321 1144 A 46 LEU HD1% A 14 PHE HD2 1.0 . 3.43 1322 1145 A 46 LEU HD2% A 14 PHE HD2 1.0 . 3.79 1323 1146 A 22 LEU HD1% A 14 PHE HD2 1.0 . 3.62 1324 1147 A 18 GLN HB3 A 14 PHE HD2 1.0 . 4.61 1325 1148 A 30 LYS HE3 A 26 PHE HE% 1.0 . 4.98 1326 1149 A 26 PHE HE% A 59 ARG HG2 1.0 . 3.76 1327 1150 A 59 ARG HA A 26 PHE HE% 1.0 . 4.11 1328 1151 A 26 PHE HE% A 30 LYS HA 1.0 . 4.88 1329 1152 A 26 PHE HE% A 59 ARG HG3 1.0 . 3.69 1330 1153 A 30 LYS HB3 A 26 PHE HE% 1.0 . 4.61 1331 1154 A 55 PHE HA A 55 PHE HE1 1.0 . 5.50 1332 1155 A 32 LEU HD2% A 55 PHE HE1 1.0 . 4.50 1333 1156 A 55 PHE HE1 A 25 GLU HB2 1.0 . 3.13 1334 1156 A 25 GLU HB3 A 55 PHE HE1 1.0 . 3.13 1335 1157 A 14 PHE HE% A 46 LEU HD1% 1.0 . 4.74 1336 1158 A 14 PHE HE% A 14 PHE HD2 1.0 . 2.59 1337 1159 A 14 PHE HE% A 50 GLN HB2 1.0 . 3.68 1338 1160 A 22 LEU HD1% A 14 PHE HE% 1.0 . 4.73 1339 1161 A 14 PHE HE% A 46 LEU HD2% 1.0 . 5.31 1340 1162 A 26 PHE HZ A 59 ARG HG3 1.0 . 4.81 1341 1163 A 26 PHE HZ A 59 ARG HA 1.0 . 3.76 1342 1164 A 26 PHE HZ A 59 ARG HG2 1.0 . 4.32 1343 1165 A 26 PHE HZ A 62 TRP HB2 1.0 . 3.99 1344 1166 A 26 PHE HZ A 62 TRP HB3 1.0 . 4.02 1345 1167 A 26 PHE HZ A 30 LYS HD2 1.0 . 4.64 1346 1168 A 62 TRP HA A 62 TRP HD1 1.0 . 3.44 1347 1169 A 62 TRP HB3 A 62 TRP HD1 1.0 . 3.86 1348 1170 A 62 TRP HD1 A 66 LYS HD2 1.0 . 5.15 1349 1170 A 66 LYS HD3 A 62 TRP HD1 1.0 . 5.15 1350 1171 A 65 ILE HD1% A 62 TRP HD1 1.0 . 5.11 1351 1172 A 54 TRP H A 54 TRP HD1 1.0 . 4.91 1352 1173 A 54 TRP HA A 54 TRP HD1 1.0 . 3.76 1353 1174 A 54 TRP HB2 A 54 TRP HD1 1.0 . 3.80 1354 1175 A 19 LEU HD1% A 54 TRP HD1 1.0 . 3.69 1355 1176 A 22 LEU HD1% A 54 TRP HD1 1.0 . 3.92 1356 1177 A 62 TRP HH2 A 66 LYS HD2 1.0 . 5.29 1357 1177 A 66 LYS HD3 A 62 TRP HH2 1.0 . 5.29 1358 1178 A 62 TRP HH2 A 31 TYR HE% 1.0 . 4.78 1359 1179 A 30 LYS HG3 A 62 TRP HH2 1.0 . 4.65 1360 1180 A 62 TRP HH2 A 63 LYS HE2 1.0 . 4.55 1361 1180 A 63 LYS HE3 A 62 TRP HH2 1.0 . 4.55 1362 1181 A 23 GLU H A 54 TRP HH2 1.0 . 4.82 1363 1182 A 23 GLU HA A 54 TRP HH2 1.0 . 3.41 1364 1183 A 54 TRP HH2 A 22 LEU HA 1.0 . 5.35 1365 1184 A 54 TRP HH2 A 58 ARG HD2 1.0 . 4.20 1366 1185 A 24 LYS H A 54 TRP HH2 1.0 . 5.42 1367 1186 A 22 LEU HB2 A 54 TRP HH2 1.0 . 5.06 1368 1187 A 22 LEU HB3 A 54 TRP HH2 1.0 . 5.50 1369 1188 A 54 TRP HH2 A 58 ARG HG3 1.0 . 4.31 1370 1189 A 22 LEU HD1% A 54 TRP HH2 1.0 . 5.01 1371 1190 A 62 TRP HZ3 A 63 LYS HE2 1.0 . 3.98 1372 1190 A 63 LYS HE3 A 62 TRP HZ3 1.0 . 3.98 1373 1191 A 62 TRP HZ3 A 66 LYS HD2 1.0 . 4.76 1374 1191 A 62 TRP HZ3 A 66 LYS HD3 1.0 . 4.76 1375 1192 A 54 TRP HE3 A 51 VAL HG1% 1.0 . 5.41 1376 1193 A 54 TRP HE3 A 22 LEU HG 1.0 . 4.57 1377 1194 A 22 LEU HD1% A 54 TRP HE3 1.0 . 4.80 1378 1195 A 55 PHE HA A 54 TRP HZ3 1.0 . 4.97 1379 1196 A 54 TRP HB3 A 54 TRP HZ3 1.0 . 4.94 1380 1197 A 22 LEU HB3 A 54 TRP HZ3 1.0 . 5.18 1381 1198 A 27 HIS HA A 27 HIS HD2 1.0 . 4.43 1382 1199 A 62 TRP HE3 A 63 LYS HG2 1.0 . 4.96 1383 1200 A 41 ALA HB% A 42 HIS HD2 1.0 . 4.47 1384 1201 A 42 HIS H A 42 HIS HD2 1.0 . 4.34 1385 1202 A 63 LYS H A 62 TRP HE3 1.0 . 4.12 1386 1203 A 59 ARG HA A 62 TRP HE3 1.0 . 3.58 1387 1204 A 62 TRP HB2 A 62 TRP HE3 1.0 . 3.50 1388 1205 A 62 TRP HB3 A 62 TRP HE3 1.0 . 3.94 1389 1206 A 62 TRP HE3 A 63 LYS HE2 1.0 . 4.52 1390 1206 A 63 LYS HE3 A 62 TRP HE3 1.0 . 4.52 1391 1207 A 63 LYS HG3 A 62 TRP HE3 1.0 . 4.13 1392 1208 A 26 PHE HZ A 62 TRP HE3 1.0 . 4.35 1393 1209 A 42 HIS HA A 42 HIS HD2 1.0 . 4.25 1394 1210 A 38 SER HA A 42 HIS HD2 1.0 . 4.58 1395 1211 A 42 HIS HD2 A 42 HIS HB2 1.0 . 3.57 1396 1211 A 42 HIS HB3 A 42 HIS HD2 1.0 . 3.57 1397 1212 A 30 LYS HB3 A 31 TYR HE% 1.0 . 4.34 1398 1213 A 30 LYS HB2 A 31 TYR HE% 1.0 . 3.88 1399 1214 A 62 TRP HZ2 A 66 LYS HD2 1.0 . 5.13 1400 1214 A 62 TRP HZ2 A 66 LYS HD3 1.0 . 5.13 1401 1215 A 62 TRP HZ2 A 30 LYS HG3 1.0 . 4.66 1402 1216 A 30 LYS HE2 A 62 TRP HZ2 1.0 . 4.16 1403 1217 A 23 GLU HA A 54 TRP HZ2 1.0 . 4.33 1404 1218 A 19 LEU HD1% A 54 TRP HZ2 1.0 . 4.22 1405 1219 A 23 GLU H A 54 TRP HZ2 1.0 . 5.38 1406 1220 A 22 LEU HB2 A 54 TRP HZ2 1.0 . 4.53 1407 1221 A 22 LEU HD1% A 54 TRP HZ2 1.0 . 4.61 1408 1222 A 22 LEU HB3 A 54 TRP HZ2 1.0 . 4.69 stop_ save_