data_nef_c17923_2lj7 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_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 3 CYS SG 1 47 CYS SG 1 14 CYS SG 1 35 CYS SG 1 20 CYS SG 1 41 CYS SG 1 20 CYS SG 1 35 CYS SG 1 24 CYS SG 1 43 CYS SG stop_ 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 LYS start . . 2 A 2 THR middle . . 3 A 3 CYS middle -HG . 4 A 4 GLU middle . . 5 A 5 ASN middle . . 6 A 6 LEU middle . . 7 A 7 SER middle . . 8 A 8 ASP middle . . 9 A 9 SER middle . . 10 A 10 PHE middle . . 11 A 11 LYS middle . . 12 A 12 GLY middle . false 13 A 13 PRO middle . false 14 A 14 CYS middle -HG . 15 A 15 ILE middle . . 16 A 16 PRO middle . false 17 A 17 ASP middle . . 18 A 18 GLY middle . false 19 A 19 ASN middle . . 20 A 20 CYS middle -HG . 21 A 21 ASN middle . . 22 A 22 LYS middle . . 23 A 23 HIS middle . . 24 A 24 CYS middle -HG . 25 A 25 LYS middle . . 26 A 26 GLU middle . . 27 A 27 LYS middle . . 28 A 28 GLU middle . . 29 A 29 HIS middle . . 30 A 30 LEU middle . . 31 A 31 LEU middle . . 32 A 32 SER middle . . 33 A 33 GLY middle . false 34 A 34 ARG middle . . 35 A 35 CYS middle -HG . 36 A 36 ARG middle . . 37 A 37 ASP middle . . 38 A 38 ASP middle . . 39 A 39 PHE middle . . 40 A 40 ARG middle . . 41 A 41 CYS middle -HG . 42 A 42 TRP middle . . 43 A 43 CYS middle -HG . 44 A 44 THR middle . . 45 A 45 ARG middle . . 46 A 46 ASN middle . . 47 A 47 CYS end -HG . 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 1 LYS HA H 1 4.193 0.000 A 1 LYS HB2 H 1 2.007 0.000 A 1 LYS HB3 H 1 1.982 0.000 A 1 LYS HD2 H 1 1.218 0.000 A 1 LYS HD3 H 1 1.218 0.000 A 1 LYS HE2 H 1 3.038 0.000 A 1 LYS HE3 H 1 3.038 0.000 A 1 LYS HGy H 1 1.740 0.000 A 1 LYS HGx H 1 1.524 0.000 A 1 LYS CA C 13 55.556 0.000 A 1 LYS CG C 13 23.456 0.000 A 2 THR H H 1 8.418 0.000 A 2 THR HA H 1 5.352 0.000 A 2 THR HB H 1 4.099 0.000 A 2 THR HG2% H 1 1.060 0.000 A 2 THR CA C 13 57.791 0.000 A 2 THR CG2 C 13 18.534 0.000 A 2 THR N N 15 113.355 0.000 A 3 CYS H H 1 9.073 0.000 A 3 CYS HA H 1 5.112 0.000 A 3 CYS HB2 H 1 2.949 0.000 A 3 CYS HB3 H 1 2.763 0.000 A 3 CYS N N 15 118.562 0.000 A 4 GLU H H 1 8.706 0.000 A 4 GLU HA H 1 5.558 0.000 A 4 GLU HB2 H 1 2.083 0.000 A 4 GLU HB3 H 1 1.826 0.000 A 4 GLU HG2 H 1 2.301 0.000 A 4 GLU HG3 H 1 2.230 0.000 A 4 GLU CA C 13 52.152 0.000 A 4 GLU CB C 13 30.027 0.000 A 4 GLU CG C 13 34.993 0.000 A 4 GLU N N 15 122.831 0.000 A 5 ASN H H 1 8.981 0.000 A 5 ASN HA H 1 5.274 0.000 A 5 ASN HB2 H 1 2.749 0.000 A 5 ASN HB3 H 1 2.508 0.000 A 5 ASN HD2y H 1 7.682 0.000 A 5 ASN HD2x H 1 6.883 0.000 A 5 ASN CB C 13 40.835 0.000 A 5 ASN N N 15 121.646 0.000 A 5 ASN ND2 N 15 111.809 0.000 A 6 LEU H H 1 8.113 0.000 A 6 LEU HA H 1 3.065 0.000 A 6 LEU HB2 H 1 0.968 0.000 A 6 LEU HB3 H 1 0.747 0.000 A 6 LEU HD1% H 1 0.472 0.000 A 6 LEU HD2% H 1 0.103 0.000 A 6 LEU HG H 1 0.269 0.000 A 6 LEU CA C 13 53.166 0.000 A 6 LEU CB C 13 39.413 0.000 A 6 LEU CD1 C 13 22.106 0.000 A 6 LEU CD2 C 13 21.572 0.000 A 6 LEU CG C 13 23.653 0.000 A 6 LEU N N 15 125.467 0.000 A 7 SER H H 1 8.526 0.000 A 7 SER HA H 1 4.534 0.000 A 7 SER HB2 H 1 4.088 0.000 A 7 SER HB3 H 1 3.545 0.000 A 7 SER CB C 13 60.583 0.000 A 7 SER N N 15 117.180 0.000 A 8 ASP H H 1 9.282 0.000 A 8 ASP HA H 1 4.540 0.000 A 8 ASP HB2 H 1 2.643 0.000 A 8 ASP HB3 H 1 2.624 0.000 A 8 ASP CB C 13 39.152 0.000 A 8 ASP N N 15 129.392 0.000 A 9 SER H H 1 8.121 0.000 A 9 SER HA H 1 4.544 0.000 A 9 SER HB2 H 1 4.092 0.000 A 9 SER HB3 H 1 3.796 0.000 A 9 SER CA C 13 55.203 0.000 A 9 SER CB C 13 61.681 0.000 A 9 SER N N 15 109.999 0.000 A 10 PHE H H 1 7.824 0.000 A 10 PHE HA H 1 3.554 0.000 A 10 PHE HB2 H 1 2.823 0.000 A 10 PHE HB3 H 1 2.238 0.000 A 10 PHE HD1 H 1 6.804 0.000 A 10 PHE HD2 H 1 6.804 0.000 A 10 PHE HE1 H 1 6.963 0.000 A 10 PHE HE2 H 1 6.963 0.000 A 10 PHE HZ H 1 7.454 0.000 A 10 PHE N N 15 126.667 0.000 A 11 LYS H H 1 7.741 0.000 A 11 LYS HA H 1 4.433 0.000 A 11 LYS HB2 H 1 1.644 0.000 A 11 LYS HB3 H 1 1.499 0.000 A 11 LYS HD2 H 1 1.524 0.000 A 11 LYS HD3 H 1 1.524 0.000 A 11 LYS HE2 H 1 2.971 0.000 A 11 LYS HE3 H 1 2.971 0.000 A 11 LYS HGy H 1 1.354 0.000 A 11 LYS HGx H 1 1.275 0.000 A 11 LYS CB C 13 31.302 0.000 A 11 LYS CG C 13 21.705 0.000 A 11 LYS N N 15 128.222 0.000 A 12 GLY H H 1 8.159 0.000 A 12 GLY HAy H 1 4.094 0.000 A 12 GLY HAx H 1 3.905 0.000 A 12 GLY CA C 13 41.602 0.000 A 12 GLY N N 15 110.225 0.000 A 13 PRO HB2 H 1 2.324 0.000 A 13 PRO HB3 H 1 2.108 0.000 A 13 PRO HD2 H 1 3.634 0.000 A 13 PRO HD3 H 1 3.589 0.000 A 13 PRO HG2 H 1 2.031 0.000 A 13 PRO HG3 H 1 1.897 0.000 A 13 PRO CD C 13 46.609 0.000 A 15 ILE HA H 1 4.847 0.000 A 15 ILE HB H 1 2.108 0.000 A 15 ILE HD1% H 1 0.911 0.000 A 15 ILE HG1x H 1 1.226 0.000 A 15 ILE HG1y H 1 1.313 0.000 A 15 ILE HG2% H 1 0.998 0.000 A 15 ILE CD1 C 13 10.772 0.000 A 15 ILE CG2 C 13 15.330 0.000 A 16 PRO HBx H 1 2.391 0.000 A 16 PRO HBy H 1 2.391 0.000 A 16 PRO HD2 H 1 3.777 0.000 A 16 PRO HD3 H 1 3.701 0.000 A 16 PRO HGy H 1 2.062 0.000 A 16 PRO HGx H 1 1.974 0.000 A 16 PRO CD C 13 48.286 0.000 A 18 GLY H H 1 8.473 0.000 A 18 GLY HAy H 1 4.309 0.000 A 18 GLY HAx H 1 4.015 0.000 A 18 GLY N N 15 107.851 0.000 A 19 ASN H H 1 9.383 0.000 A 19 ASN HA H 1 4.754 0.000 A 19 ASN HBy H 1 3.087 0.000 A 19 ASN HBx H 1 2.535 0.000 A 19 ASN N N 15 124.997 0.000 A 20 CYS H H 1 8.091 0.000 A 20 CYS HA H 1 4.298 0.000 A 20 CYS HBy H 1 2.789 0.000 A 20 CYS HBx H 1 2.626 0.000 A 21 ASN H H 1 8.402 0.000 A 21 ASN HA H 1 4.738 0.000 A 21 ASN HB2 H 1 3.100 0.000 A 21 ASN HB3 H 1 2.794 0.000 A 21 ASN HD21 H 1 6.750 0.000 A 21 ASN HD22 H 1 7.717 0.000 A 21 ASN N N 15 119.386 0.000 A 21 ASN ND2 N 15 113.321 0.000 A 22 LYS H H 1 7.701 0.000 A 22 LYS HA H 1 3.993 0.000 A 22 LYS HB2 H 1 1.990 0.000 A 22 LYS HB3 H 1 1.946 0.000 A 22 LYS HE2 H 1 3.527 0.000 A 22 LYS HE3 H 1 3.527 0.000 A 22 LYS HGy H 1 1.861 0.000 A 22 LYS HGx H 1 1.152 0.000 A 22 LYS N N 15 116.550 0.000 A 23 HIS H H 1 8.658 0.000 A 23 HIS HA H 1 4.122 0.000 A 23 HIS HB2 H 1 3.666 0.000 A 23 HIS HB3 H 1 3.465 0.000 A 23 HIS HD2 H 1 7.005 0.000 A 23 HIS N N 15 119.716 0.000 A 24 CYS H H 1 9.086 0.000 A 24 CYS HA H 1 4.100 0.000 A 24 CYS HB2 H 1 2.660 0.000 A 24 CYS HB3 H 1 2.568 0.000 A 24 CYS N N 15 118.005 0.000 A 25 LYS H H 1 7.943 0.000 A 25 LYS HA H 1 4.275 0.000 A 25 LYS HB2 H 1 1.847 0.000 A 25 LYS HB3 H 1 1.670 0.000 A 25 LYS HD2 H 1 1.590 0.000 A 25 LYS HE2 H 1 3.072 0.000 A 25 LYS HE3 H 1 3.072 0.000 A 25 LYS HG2 H 1 1.248 0.000 A 25 LYS HG3 H 1 1.518 0.000 A 25 LYS CB C 13 31.118 0.000 A 25 LYS CD C 13 25.863 0.000 A 25 LYS CG C 13 22.248 0.000 A 25 LYS N N 15 116.560 0.000 A 26 GLU H H 1 8.958 0.000 A 26 GLU HA H 1 4.120 0.000 A 26 GLU HB2 H 1 2.065 0.000 A 26 GLU HB3 H 1 2.024 0.000 A 26 GLU HG2 H 1 2.254 0.000 A 26 GLU HG3 H 1 2.490 0.000 A 26 GLU CB C 13 27.742 0.000 A 26 GLU CG C 13 34.031 0.000 A 26 GLU N N 15 116.549 0.000 A 27 LYS H H 1 7.892 0.000 A 27 LYS HA H 1 4.325 0.000 A 27 LYS HB2 H 1 1.296 0.000 A 27 LYS HB3 H 1 1.513 0.000 A 27 LYS HD2 H 1 1.593 0.000 A 27 LYS HD3 H 1 1.593 0.000 A 27 LYS HE2 H 1 3.000 0.000 A 27 LYS HE3 H 1 3.000 0.000 A 27 LYS HG2 H 1 1.441 0.000 A 27 LYS HG3 H 1 1.395 0.000 A 27 LYS CB C 13 31.177 0.000 A 27 LYS CD C 13 25.635 0.000 A 27 LYS CG C 13 22.094 0.000 A 28 GLU H H 1 6.973 0.000 A 28 GLU HA H 1 4.317 0.000 A 28 GLU HB2 H 1 2.281 0.000 A 28 GLU HB3 H 1 2.306 0.000 A 28 GLU HG2 H 1 2.060 0.000 A 28 GLU HG3 H 1 2.060 0.000 A 28 GLU N N 15 113.759 0.000 A 29 HIS H H 1 6.517 0.000 A 29 HIS HA H 1 4.635 0.000 A 29 HIS HB2 H 1 3.561 0.000 A 29 HIS HB3 H 1 3.427 0.000 A 29 HIS CB C 13 33.155 0.000 A 29 HIS N N 15 110.945 0.000 A 30 LEU H H 1 8.629 0.000 A 30 LEU HA H 1 4.955 0.000 A 30 LEU HB2 H 1 1.955 0.000 A 30 LEU HB3 H 1 1.459 0.000 A 30 LEU HD1% H 1 0.962 0.000 A 30 LEU HD2% H 1 0.963 0.000 A 30 LEU HG H 1 1.771 0.000 A 30 LEU CB C 13 37.672 0.000 A 30 LEU CG C 13 23.537 0.000 A 30 LEU N N 15 119.915 0.000 A 31 LEU H H 1 8.197 0.000 A 31 LEU HA H 1 4.194 0.000 A 31 LEU HB2 H 1 1.640 0.000 A 31 LEU HB3 H 1 1.455 0.000 A 31 LEU HD1% H 1 0.801 0.000 A 31 LEU HD2% H 1 0.885 0.000 A 31 LEU HG H 1 1.727 0.000 A 31 LEU CB C 13 40.311 0.000 A 31 LEU CD1 C 13 22.911 0.000 A 31 LEU CD2 C 13 19.897 0.000 A 31 LEU CG C 13 24.352 0.000 A 31 LEU N N 15 116.117 0.000 A 32 SER H H 1 7.539 0.000 A 32 SER HA H 1 4.563 0.000 A 32 SER HB2 H 1 4.143 0.000 A 32 SER HB3 H 1 4.017 0.000 A 32 SER HG H 1 5.010 0.000 A 32 SER CB C 13 60.912 0.000 A 32 SER N N 15 105.655 0.000 A 33 GLY H H 1 9.233 0.000 A 33 GLY HAy H 1 5.327 0.000 A 33 GLY HAx H 1 4.128 0.000 A 33 GLY N N 15 108.435 0.000 A 34 ARG H H 1 8.861 0.000 A 34 ARG HA H 1 4.673 0.000 A 34 ARG HB2 H 1 1.941 0.000 A 34 ARG HB3 H 1 1.729 0.000 A 34 ARG HD2 H 1 2.858 0.000 A 34 ARG HD3 H 1 2.858 0.000 A 34 ARG HE H 1 8.819 0.000 A 34 ARG HG2 H 1 1.649 0.000 A 34 ARG HG3 H 1 1.268 0.000 A 34 ARG CB C 13 29.954 0.000 A 34 ARG CG C 13 25.479 0.000 A 34 ARG N N 15 116.286 0.000 A 34 ARG NE N 15 86.947 0.000 A 35 CYS H H 1 8.731 0.000 A 35 CYS HA H 1 5.635 0.000 A 35 CYS HB2 H 1 2.978 0.000 A 35 CYS HB3 H 1 2.615 0.000 A 35 CYS N N 15 120.945 0.000 A 36 ARG H H 1 7.902 0.000 A 36 ARG HA H 1 4.241 0.000 A 36 ARG HBy H 1 1.878 0.000 A 36 ARG HBx H 1 1.806 0.000 A 36 ARG HD2 H 1 3.217 0.000 A 36 ARG HD3 H 1 3.217 0.000 A 36 ARG HE H 1 7.254 0.000 A 36 ARG HG2 H 1 1.651 0.000 A 36 ARG HG3 H 1 1.651 0.000 A 36 ARG N N 15 121.634 0.000 A 36 ARG NE N 15 84.718 0.000 A 37 ASP H H 1 8.274 0.000 A 37 ASP HA H 1 4.094 0.000 A 37 ASP HB2 H 1 2.648 0.000 A 37 ASP HB3 H 1 2.648 0.000 A 37 ASP N N 15 120.202 0.000 A 38 ASP H H 1 7.964 0.000 A 38 ASP HA H 1 4.348 0.000 A 38 ASP HB2 H 1 3.059 0.000 A 38 ASP HB3 H 1 2.653 0.000 A 38 ASP N N 15 116.558 0.000 A 39 PHE H H 1 8.379 0.000 A 39 PHE HA H 1 4.207 0.000 A 39 PHE HB2 H 1 3.537 0.000 A 39 PHE HB3 H 1 3.393 0.000 A 39 PHE HD1 H 1 7.331 0.000 A 39 PHE HD2 H 1 7.331 0.000 A 39 PHE HE1 H 1 7.414 0.000 A 39 PHE HE2 H 1 7.414 0.000 A 39 PHE CB C 13 33.167 0.000 A 39 PHE N N 15 113.098 0.000 A 40 ARG HA H 1 4.851 0.000 A 40 ARG HB2 H 1 2.029 0.000 A 40 ARG HB3 H 1 2.029 0.000 A 40 ARG HDy H 1 3.288 0.000 A 40 ARG HDx H 1 3.146 0.000 A 40 ARG HE H 1 7.233 0.000 A 40 ARG HGy H 1 1.671 0.000 A 40 ARG HGx H 1 1.546 0.000 A 40 ARG CB C 13 28.752 0.000 A 40 ARG CD C 13 39.650 0.000 A 40 ARG NE N 15 84.226 0.000 A 41 CYS H H 1 8.886 0.000 A 41 CYS HA H 1 4.932 0.000 A 41 CYS HB2 H 1 2.150 0.000 A 41 CYS HB3 H 1 1.722 0.000 A 41 CYS N N 15 119.460 0.000 A 42 TRP H H 1 9.030 0.000 A 42 TRP HA H 1 4.820 0.000 A 42 TRP HB2 H 1 2.930 0.000 A 42 TRP HB3 H 1 2.877 0.000 A 42 TRP HD1 H 1 7.424 0.000 A 42 TRP HE1 H 1 11.838 0.000 A 42 TRP HE3 H 1 6.965 0.000 A 42 TRP HH2 H 1 7.203 0.000 A 42 TRP HZ2 H 1 7.509 0.000 A 42 TRP HZ3 H 1 7.139 0.000 A 42 TRP CB C 13 27.232 0.000 A 42 TRP N N 15 130.061 0.000 A 43 CYS H H 1 9.171 0.000 A 43 CYS HA H 1 5.959 0.000 A 43 CYS HB2 H 1 3.258 0.000 A 43 CYS HB3 H 1 2.948 0.000 A 43 CYS CA C 13 49.049 0.000 A 43 CYS N N 15 120.326 0.000 A 44 THR H H 1 9.043 0.000 A 44 THR HA H 1 5.262 0.000 A 44 THR HB H 1 4.068 0.000 A 44 THR HG2% H 1 1.139 0.000 A 44 THR CA C 13 60.314 0.000 A 44 THR CG2 C 13 18.601 0.000 A 44 THR N N 15 121.073 0.000 A 45 ARG H H 1 9.265 0.000 A 45 ARG HA H 1 5.116 0.000 A 45 ARG HB2 H 1 2.202 0.000 A 45 ARG HB3 H 1 1.837 0.000 A 45 ARG HD2 H 1 3.239 0.000 A 45 ARG HD3 H 1 3.239 0.000 A 45 ARG HE H 1 7.203 0.000 A 45 ARG HG2 H 1 1.827 0.000 A 45 ARG HG3 H 1 1.399 0.000 A 45 ARG CB C 13 33.483 0.000 A 45 ARG CD C 13 40.767 0.000 A 45 ARG CG C 13 22.833 0.000 A 45 ARG N N 15 122.974 0.000 A 45 ARG NE N 15 84.880 0.000 A 46 ASN H H 1 8.995 0.000 A 46 ASN HA H 1 5.095 0.000 A 46 ASN HB2 H 1 2.903 0.000 A 46 ASN HB3 H 1 2.710 0.000 A 46 ASN HD2y H 1 7.601 0.000 A 46 ASN HD2x H 1 6.998 0.000 A 46 ASN CB C 13 36.360 0.000 A 46 ASN N N 15 120.309 0.000 A 46 ASN ND2 N 15 113.236 0.000 A 47 CYS H H 1 8.422 0.000 A 47 CYS HA H 1 4.676 0.000 A 47 CYS HB2 H 1 3.342 0.000 A 47 CYS HB3 H 1 3.234 0.000 A 47 CYS CB C 13 40.698 0.000 A 47 CYS N N 15 125.059 0.000 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 31 LEU HG A 45 ARG HA 1.0 . 2.71 2 2 A 45 ARG HA A 45 ARG HB2 1.0 . 2.64 3 3 A 45 ARG HA A 30 LEU HD2% 1.0 . 3.38 4 4 A 45 ARG HA A 30 LEU HB3 1.0 . 3.58 5 5 A 45 ARG HA A 45 ARG HB3 1.0 . 2.55 6 6 A 45 ARG HA A 44 THR HG2% 1.0 . 3.67 7 7 A 45 ARG HA A 31 LEU HB2 1.0 . 4.04 8 8 A 38 ASP HA A 39 PHE HD% 1.0 . 5.27 9 9 A 38 ASP HA A 38 ASP HB2 1.0 . 2.67 10 10 A 38 ASP HA A 38 ASP HB3 1.0 . 2.59 11 11 A 4 GLU HA A 4 GLU HG3 1.0 . 2.99 12 12 A 4 GLU HG3 A 42 TRP HB2 1.0 . 3.54 13 13 A 4 GLU HG3 A 42 TRP HE3 1.0 . 3.15 14 14 A 34 ARG HA A 34 ARG HG2 1.0 . 3.66 15 15 A 34 ARG HA A 34 ARG HB2 1.0 . 2.95 16 16 A 34 ARG HA A 34 ARG HB3 1.0 . 2.99 17 17 A 2 THR HA A 46 ASN HA 1.0 . 2.66 18 18 A 46 ASN HA A 2 THR HG2% 1.0 . 3.02 19 19 A 46 ASN HA A 46 ASN HB3 1.0 . 2.66 20 20 A 46 ASN HA A 46 ASN HB2 1.0 . 2.98 21 21 A 5 ASN HA A 5 ASN HB2 1.0 . 2.83 22 22 A 36 ARG HBy A 42 TRP HD1 1.0 . 4.06 23 23 A 6 LEU HA A 6 LEU HG 1.0 . 3.60 24 24 A 6 LEU HG A 42 TRP HZ2 1.0 . 5.07 25 25 A 6 LEU HG A 42 TRP HH2 1.0 . 4.40 26 26 A 10 PHE HD% A 20 CYS HA 1.0 . 3.77 27 27 A 40 ARG HB3 A 40 ARG HDx 1.0 . 2.80 28 28 A 40 ARG HDx A 40 ARG HE 1.0 . 2.74 29 29 A 40 ARG HDx A 6 LEU HD1% 1.0 . 4.78 30 30 A 42 TRP HE3 A 42 TRP HB3 1.0 . 3.65 31 31 A 10 PHE HD% A 41 CYS HB2 1.0 . 3.51 32 32 A 2 THR HA A 2 THR HG2% 1.0 . 2.58 33 33 A 2 THR HG2% A 1 LYS HA 1.0 . 3.64 34 34 A 34 ARG HG2 A 34 ARG HD2 1.0 . 2.98 35 34 A 34 ARG HG2 A 34 ARG HD3 1.0 . 2.98 36 35 A 34 ARG HB2 A 34 ARG HD2 1.0 . 2.86 37 35 A 34 ARG HB2 A 34 ARG HD3 1.0 . 2.86 38 36 A 45 ARG HB2 A 45 ARG HD2 1.0 . 2.79 39 36 A 45 ARG HB2 A 45 ARG HD3 1.0 . 2.79 40 37 A 45 ARG HB2 A 30 LEU HD2% 1.0 . 2.73 41 38 A 45 ARG HB2 A 45 ARG HG3 1.0 . 2.74 42 39 A 45 ARG HB2 A 45 ARG HE 1.0 . 4.47 43 40 A 24 CYS HA A 28 GLU HB2 1.0 . 3.46 44 41 A 28 GLU HB2 A 30 LEU HD1% 1.0 . 2.93 45 42 A 15 ILE HB A 16 PRO HD3 1.0 . 3.25 46 43 A 21 ASN HA A 21 ASN HB2 1.0 . 2.86 47 44 A 20 CYS HA A 23 HIS HB2 1.0 . 3.59 48 45 A 10 PHE HD% A 23 HIS HB2 1.0 . 3.13 49 46 A 23 HIS HB2 A 10 PHE HE% 1.0 . 3.99 50 47 A 23 HIS HA A 27 LYS HG3 1.0 . 3.19 51 48 A 24 CYS HB3 A 30 LEU HB2 1.0 . 3.23 52 49 A 30 LEU HB2 A 24 CYS HB2 1.0 . 3.85 53 50 A 10 PHE HD% A 10 PHE HA 1.0 . 3.08 54 51 A 31 LEU HA A 31 LEU HB3 1.0 . 2.55 55 52 A 31 LEU HB3 A 31 LEU HD2% 1.0 . 2.57 56 53 A 45 ARG HE A 45 ARG HD2 1.0 . 2.55 57 53 A 45 ARG HD3 A 45 ARG HE 1.0 . 2.55 58 54 A 12 GLY HAx A 13 PRO HD2 1.0 . 2.64 59 55 A 25 LYS HB2 A 25 LYS HE2 1.0 . 3.87 60 55 A 25 LYS HB2 A 25 LYS HE3 1.0 . 3.87 61 56 A 25 LYS HB2 A 22 LYS HA 1.0 . 3.13 62 57 A 3 CYS HB2 A 47 CYS HB2 1.0 . 3.60 63 58 A 28 GLU HB2 A 30 LEU HG 1.0 . 2.42 64 59 A 22 LYS HA A 22 LYS HB3 1.0 . 2.61 65 60 A 30 LEU HD2% A 45 ARG HB3 1.0 . 2.48 66 61 A 30 LEU HD2% A 45 ARG HE 1.0 . 4.64 67 62 A 4 GLU HA A 44 THR HA 1.0 . 2.43 68 63 A 29 HIS HA A 29 HIS HB3 1.0 . 2.62 69 64 A 29 HIS HA A 29 HIS HB2 1.0 . 2.99 70 65 A 22 LYS HA A 25 LYS HDy 1.0 . 3.20 71 65 A 22 LYS HA A 25 LYS HD2 1.0 . 3.20 72 66 A 16 PRO HD3 A 15 ILE HG2% 1.0 . 3.41 73 67 A 42 TRP HD1 A 40 ARG HB2 1.0 . 4.11 74 68 A 6 LEU HD1% A 40 ARG HB2 1.0 . 4.22 75 69 A 25 LYS HA A 25 LYS HG2 1.0 . 2.84 76 70 A 25 LYS HA A 25 LYS HB3 1.0 . 2.78 77 71 A 22 LYS HA A 26 GLU HG3 1.0 . 3.95 78 72 A 26 GLU HG3 A 26 GLU HA 1.0 . 3.19 79 73 A 26 GLU HG3 A 26 GLU HB2 1.0 . 2.49 80 74 A 30 LEU HG A 30 LEU HA 1.0 . 3.42 81 75 A 30 LEU HD2% A 30 LEU HA 1.0 . 2.40 82 76 A 30 LEU HB3 A 30 LEU HA 1.0 . 2.69 83 77 A 16 PRO HD3 A 15 ILE HA 1.0 . 2.86 84 78 A 15 ILE HG2% A 15 ILE HA 1.0 . 3.04 85 79 A 39 PHE HD% A 39 PHE HA 1.0 . 3.93 86 80 A 30 LEU HD2% A 30 LEU HB3 1.0 . 2.54 87 81 A 30 LEU HB3 A 43 CYS HB3 1.0 . 3.91 88 82 A 36 ARG HBx A 37 ASP HB2 1.0 . 4.59 89 82 A 36 ARG HBx A 37 ASP HB3 1.0 . 4.59 90 83 A 11 LYS HA A 11 LYS HGx 1.0 . 4.13 91 84 A 11 LYS HA A 11 LYS HB3 1.0 . 2.97 92 85 A 43 CYS HB3 A 43 CYS HA 1.0 . 2.62 93 86 A 15 ILE HB A 15 ILE HD1% 1.0 . 2.66 94 87 A 6 LEU HB2 A 6 LEU HD2% 1.0 . 3.78 95 88 A 1 LYS HA A 1 LYS HGx 1.0 . 3.00 96 89 A 1 LYS HGx A 1 LYS HE2 1.0 . 2.85 97 89 A 1 LYS HGx A 1 LYS HE3 1.0 . 2.85 98 90 A 10 PHE HD% A 41 CYS HB3 1.0 . 4.17 99 91 A 4 GLU HG2 A 42 TRP HZ3 1.0 . 4.25 100 92 A 4 GLU HA A 4 GLU HG2 1.0 . 3.45 101 93 A 42 TRP HB2 A 4 GLU HG2 1.0 . 3.09 102 94 A 13 PRO HD2 A 12 GLY HAy 1.0 . 2.50 103 95 A 12 GLY HAy A 13 PRO HD3 1.0 . 2.53 104 96 A 10 PHE HE% A 35 CYS HB3 1.0 . 3.00 105 97 A 45 ARG HB3 A 45 ARG HD2 1.0 . 2.40 106 97 A 45 ARG HB3 A 45 ARG HD3 1.0 . 2.40 107 98 A 45 ARG HB3 A 45 ARG HE 1.0 . 3.29 108 99 A 5 ASN HA A 42 TRP HZ3 1.0 . 2.65 109 100 A 42 TRP HE3 A 5 ASN HA 1.0 . 3.03 110 101 A 9 SER HA A 9 SER HB2 1.0 . 2.42 111 102 A 9 SER HA A 9 SER HB3 1.0 . 2.65 112 103 A 6 LEU HA A 6 LEU HD2% 1.0 . 2.76 113 104 A 40 ARG HB2 A 6 LEU HD2% 1.0 . 3.27 114 105 A 42 TRP HZ2 A 6 LEU HD2% 1.0 . 3.49 115 106 A 40 ARG HB3 A 6 LEU HD2% 1.0 . 2.83 116 107 A 6 LEU HD2% A 40 ARG HDy 1.0 . 4.16 117 108 A 6 LEU HD2% A 6 LEU HB3 1.0 . 2.94 118 109 A 42 TRP HH2 A 6 LEU HD2% 1.0 . 4.31 119 110 A 40 ARG HE A 6 LEU HD2% 1.0 . 3.98 120 111 A 6 LEU HD2% A 40 ARG HGy 1.0 . 3.85 121 111 A 6 LEU HD2% A 40 ARG HGx 1.0 . 3.85 122 112 A 21 ASN HA A 21 ASN HB3 1.0 . 3.00 123 113 A 40 ARG HB3 A 40 ARG HDy 1.0 . 2.71 124 114 A 10 PHE HD% A 23 HIS HB3 1.0 . 2.91 125 115 A 10 PHE HE% A 23 HIS HB3 1.0 . 3.76 126 116 A 6 LEU HA A 42 TRP HA 1.0 . 3.19 127 117 A 30 LEU HD1% A 43 CYS HA 1.0 . 4.63 128 118 A 6 LEU HA A 6 LEU HB3 1.0 . 2.94 129 119 A 30 LEU HD1% A 43 CYS HB3 1.0 . 2.46 130 120 A 30 LEU HD1% A 43 CYS HB2 1.0 . 2.66 131 121 A 11 LYS HGx A 39 PHE HE% 1.0 . 3.97 132 122 A 3 CYS HB2 A 47 CYS HB3 1.0 . 2.84 133 123 A 34 ARG HB3 A 34 ARG HD2 1.0 . 3.04 134 123 A 34 ARG HB3 A 34 ARG HD3 1.0 . 3.04 135 124 A 30 LEU HB3 A 30 LEU HD1% 1.0 . 2.67 136 125 A 30 LEU HD1% A 28 GLU HB3 1.0 . 3.27 137 126 A 30 LEU HD1% A 30 LEU HB2 1.0 . 2.66 138 127 A 45 ARG HA A 31 LEU HD1% 1.0 . 3.97 139 128 A 46 ASN HA A 31 LEU HD1% 1.0 . 4.84 140 129 A 2 THR HG2% A 31 LEU HD1% 1.0 . 2.50 141 130 A 31 LEU HB3 A 31 LEU HD1% 1.0 . 2.56 142 131 A 31 LEU HD1% A 44 THR HB 1.0 . 3.89 143 132 A 31 LEU HD1% A 2 THR HB 1.0 . 3.72 144 133 A 31 LEU HA A 31 LEU HD1% 1.0 . 3.83 145 134 A 44 THR HG2% A 31 LEU HD1% 1.0 . 2.56 146 135 A 31 LEU HB2 A 31 LEU HD1% 1.0 . 2.47 147 136 A 37 ASP HA A 37 ASP HB2 1.0 . 2.40 148 136 A 37 ASP HB3 A 37 ASP HA 1.0 . 2.40 149 137 A 25 LYS HG3 A 25 LYS HE2 1.0 . 4.14 150 137 A 25 LYS HE3 A 25 LYS HG3 1.0 . 4.14 151 138 A 25 LYS HA A 25 LYS HG3 1.0 . 3.34 152 139 A 40 ARG HDx A 40 ARG HA 1.0 . 3.28 153 140 A 40 ARG HB3 A 40 ARG HA 1.0 . 2.80 154 141 A 40 ARG HDy A 40 ARG HA 1.0 . 4.10 155 142 A 40 ARG HA A 40 ARG HGy 1.0 . 3.43 156 142 A 40 ARG HGx A 40 ARG HA 1.0 . 3.43 157 143 A 28 GLU HB2 A 28 GLU HA 1.0 . 2.97 158 144 A 28 GLU HB3 A 28 GLU HA 1.0 . 2.80 159 145 A 28 GLU HA A 28 GLU HG2 1.0 . 2.59 160 145 A 28 GLU HA A 28 GLU HG3 1.0 . 2.59 161 146 A 31 LEU HA A 31 LEU HD2% 1.0 . 2.40 162 147 A 22 LYS HGy A 25 LYS HE2 1.0 . 3.11 163 147 A 25 LYS HE3 A 22 LYS HGy 1.0 . 3.11 164 148 A 25 LYS HB3 A 25 LYS HE2 1.0 . 0.00 165 148 A 25 LYS HE3 A 25 LYS HB3 1.0 . 0.00 166 149 A 45 ARG HG3 A 45 ARG HD2 1.0 . 2.47 167 149 A 45 ARG HD3 A 45 ARG HG3 1.0 . 2.47 168 150 A 45 ARG HG3 A 3 CYS HB2 1.0 . 3.26 169 151 A 45 ARG HG3 A 45 ARG HE 1.0 . 3.65 170 152 A 44 THR HG2% A 2 THR HA 1.0 . 3.82 171 153 A 44 THR HG2% A 4 GLU HA 1.0 . 4.07 172 154 A 44 THR HG2% A 44 THR HA 1.0 . 2.77 173 155 A 44 THR HG2% A 2 THR HB 1.0 . 2.40 174 156 A 44 THR HG2% A 31 LEU HB2 1.0 . 2.83 175 157 A 4 GLU HA A 3 CYS HA 1.0 . 4.28 176 158 A 3 CYS HA A 3 CYS HB3 1.0 . 2.78 177 159 A 46 ASN HA A 2 THR HB 1.0 . 4.09 178 160 A 3 CYS HB2 A 3 CYS HA 1.0 . 3.00 179 161 A 47 CYS HB3 A 3 CYS HA 1.0 . 6.00 180 162 A 31 LEU HB2 A 44 THR HB 1.0 . 3.02 181 163 A 24 CYS HB3 A 43 CYS HA 1.0 . 4.41 182 164 A 24 CYS HA A 24 CYS HB3 1.0 . 2.81 183 165 A 24 CYS HB3 A 43 CYS HB3 1.0 . 3.00 184 166 A 30 LEU HB2 A 43 CYS HB3 1.0 . 3.10 185 167 A 32 SER HA A 25 LYS HE2 1.0 . 4.74 186 167 A 25 LYS HE3 A 32 SER HA 1.0 . 4.74 187 168 A 32 SER HA A 32 SER HB3 1.0 . 2.63 188 169 A 25 LYS HG3 A 32 SER HA 1.0 . 3.30 189 170 A 32 SER HA A 32 SER HB2 1.0 . 2.53 190 171 A 25 LYS HG2 A 32 SER HA 1.0 . 4.64 191 172 A 4 GLU HA A 4 GLU HB2 1.0 . 2.78 192 173 A 42 TRP HE3 A 4 GLU HB2 1.0 . 3.74 193 174 A 47 CYS HB2 A 47 CYS HA 1.0 . 2.58 194 175 A 47 CYS HB3 A 47 CYS HA 1.0 . 2.53 195 176 A 27 LYS HA A 27 LYS HB2 1.0 . 3.63 196 177 A 27 LYS HA A 27 LYS HG2 1.0 . 3.27 197 178 A 43 CYS HA A 33 GLY HAy 1.0 . 2.59 198 179 A 22 LYS HA A 22 LYS HB2 1.0 . 2.87 199 180 A 43 CYS HA A 43 CYS HB2 1.0 . 3.01 200 181 A 30 LEU HD1% A 43 CYS HB2 1.0 . 2.77 201 182 A 15 ILE HG2% A 16 PRO HD2 1.0 . 3.61 202 183 A 15 ILE HB A 16 PRO HD2 1.0 . 2.54 203 184 A 6 LEU HA A 6 LEU HD1% 1.0 . 3.76 204 185 A 42 TRP HZ2 A 6 LEU HD1% 1.0 . 3.75 205 186 A 6 LEU HD1% A 6 LEU HB2 1.0 . 2.86 206 187 A 40 ARG HB3 A 6 LEU HD1% 1.0 . 3.23 207 188 A 6 LEU HD1% A 6 LEU HB3 1.0 . 2.97 208 189 A 42 TRP HH2 A 6 LEU HD1% 1.0 . 4.34 209 190 A 40 ARG HE A 6 LEU HD1% 1.0 . 4.39 210 191 A 40 ARG HDx A 40 ARG HGy 1.0 . 2.92 211 191 A 40 ARG HDx A 40 ARG HGx 1.0 . 2.92 212 192 A 40 ARG HDy A 40 ARG HGy 1.0 . 2.87 213 192 A 40 ARG HDy A 40 ARG HGx 1.0 . 2.87 214 193 A 40 ARG HE A 40 ARG HGy 1.0 . 4.17 215 193 A 40 ARG HE A 40 ARG HGx 1.0 . 4.17 216 194 A 30 LEU HD2% A 45 ARG HD2 1.0 . 2.78 217 194 A 30 LEU HD2% A 45 ARG HD3 1.0 . 2.78 218 195 A 20 CYS HA A 10 PHE HE% 1.0 . 2.65 219 196 A 26 GLU HA A 26 GLU HB3 1.0 . 2.40 220 197 A 23 HIS HA A 26 GLU HB3 1.0 . 0.00 221 198 A 46 ASN HA A 31 LEU HD1% 1.0 . 2.95 222 199 A 45 ARG HA A 31 LEU HD1% 1.0 . 0.00 223 200 A 43 CYS HA A 33 GLY HAx 1.0 . 3.11 224 201 A 24 CYS HA A 43 CYS HA 1.0 . 0.00 225 202 A 26 GLU HA A 26 GLU HG2 1.0 . 2.40 226 203 A 24 CYS HA A 28 GLU HB3 1.0 . 0.00 227 204 A 15 ILE HA A 13 PRO HB3 1.0 . 3.07 228 205 A 15 ILE HB A 15 ILE HA 1.0 . 0.00 229 206 A 26 GLU HA A 26 GLU HG2 1.0 . 2.40 230 207 A 24 CYS HA A 28 GLU HB3 1.0 . 0.00 231 208 A 1 LYS HA A 1 LYS HGy 1.0 . 3.16 232 209 A 31 LEU HG A 31 LEU HA 1.0 . 0.00 233 210 A 22 LYS HA A 25 LYS H 1.0 . 3.45 234 211 A 25 LYS HB2 A 25 LYS H 1.0 . 2.88 235 212 A 25 LYS H A 24 CYS H 1.0 . 3.24 236 213 A 25 LYS HG2 A 25 LYS H 1.0 . 3.67 237 214 A 23 HIS HA A 25 LYS H 1.0 . 3.97 238 215 A 25 LYS HG3 A 25 LYS H 1.0 . 3.10 239 216 A 25 LYS H A 26 GLU H 1.0 . 2.97 240 217 A 25 LYS HB3 A 25 LYS H 1.0 . 3.55 241 218 A 24 CYS HB3 A 25 LYS H 1.0 . 3.81 242 219 A 24 CYS HB2 A 25 LYS H 1.0 . 3.25 243 220 A 37 ASP HA A 39 PHE H 1.0 . 3.71 244 221 A 39 PHE HA A 39 PHE H 1.0 . 2.84 245 222 A 2 THR HB A 3 CYS H 1.0 . 2.73 246 223 A 3 CYS HB2 A 3 CYS H 1.0 . 3.02 247 224 A 44 THR HG2% A 3 CYS H 1.0 . 3.24 248 225 A 2 THR HG2% A 3 CYS H 1.0 . 3.48 249 226 A 47 CYS HB3 A 3 CYS H 1.0 . 4.06 250 227 A 3 CYS H A 45 ARG HG2 1.0 . 3.48 251 228 A 2 THR HA A 3 CYS H 1.0 . 2.42 252 229 A 3 CYS H A 45 ARG H 1.0 . 3.04 253 230 A 3 CYS HB3 A 3 CYS H 1.0 . 3.65 254 231 A 8 ASP HB2 A 9 SER H 1.0 . 3.65 255 232 A 9 SER H A 8 ASP HA 1.0 . 3.56 256 233 A 9 SER HB3 A 9 SER H 1.0 . 3.28 257 234 A 9 SER H A 8 ASP HB3 1.0 . 4.40 258 235 A 9 SER HB2 A 9 SER H 1.0 . 3.96 259 236 A 6 LEU HA A 7 SER H 1.0 . 2.54 260 237 A 7 SER H A 7 SER HB2 1.0 . 2.82 261 238 A 42 TRP HA A 7 SER H 1.0 . 3.09 262 239 A 6 LEU HB3 A 7 SER H 1.0 . 3.62 263 240 A 7 SER H A 7 SER HB3 1.0 . 2.99 264 241 A 21 ASN HB3 A 21 ASN H 1.0 . 3.59 265 242 A 21 ASN H A 18 GLY HAx 1.0 . 3.97 266 243 A 21 ASN HB2 A 21 ASN H 1.0 . 3.61 267 244 A 23 HIS HB2 A 23 HIS H 1.0 . 3.83 268 245 A 23 HIS HB3 A 23 HIS H 1.0 . 3.78 269 246 A 39 PHE H A 38 ASP H 1.0 . 2.84 270 247 A 38 ASP HB2 A 38 ASP H 1.0 . 3.76 271 248 A 36 ARG HBy A 38 ASP H 1.0 . 4.23 272 249 A 38 ASP H A 37 ASP H 1.0 . 3.14 273 250 A 38 ASP H A 37 ASP HB2 1.0 . 3.13 274 250 A 37 ASP HB3 A 38 ASP H 1.0 . 3.13 275 251 A 36 ARG HBx A 38 ASP H 1.0 . 3.70 276 252 A 31 LEU HD1% A 46 ASN HD2x 1.0 . 4.00 277 253 A 31 LEU HD2% A 46 ASN HD2x 1.0 . 3.51 278 254 A 46 ASN HB2 A 46 ASN HD2x 1.0 . 3.53 279 255 A 4 GLU H A 4 GLU HB3 1.0 . 3.19 280 256 A 3 CYS HB2 A 4 GLU H 1.0 . 3.72 281 257 A 3 CYS HA A 4 GLU H 1.0 . 2.52 282 258 A 4 GLU HB2 A 4 GLU H 1.0 . 3.21 283 259 A 3 CYS HB3 A 4 GLU H 1.0 . 3.30 284 260 A 42 TRP HB3 A 43 CYS H 1.0 . 4.01 285 261 A 43 CYS HB3 A 43 CYS H 1.0 . 3.67 286 262 A 43 CYS HB2 A 43 CYS H 1.0 . 3.36 287 263 A 42 TRP HA A 43 CYS H 1.0 . 2.67 288 264 A 32 SER HB3 A 32 SER H 1.0 . 3.70 289 265 A 31 LEU HB2 A 32 SER H 1.0 . 3.00 290 266 A 31 LEU HB3 A 32 SER H 1.0 . 3.26 291 267 A 32 SER H A 31 LEU H 1.0 . 2.76 292 268 A 32 SER H A 44 THR H 1.0 . 2.96 293 269 A 30 LEU HB3 A 32 SER H 1.0 . 3.89 294 270 A 44 THR HB A 32 SER H 1.0 . 3.08 295 271 A 46 ASN HB3 A 47 CYS H 1.0 . 3.03 296 272 A 2 THR HG2% A 47 CYS H 1.0 . 3.72 297 273 A 1 LYS HGx A 47 CYS H 1.0 . 4.03 298 274 A 47 CYS HB3 A 47 CYS H 1.0 . 3.50 299 275 A 47 CYS H A 1 LYS HB3 1.0 . 3.74 300 276 A 46 ASN HB2 A 47 CYS H 1.0 . 3.97 301 277 A 2 THR HA A 47 CYS H 1.0 . 2.88 302 278 A 46 ASN HA A 47 CYS H 1.0 . 2.40 303 279 A 32 SER HB2 A 33 GLY H 1.0 . 2.47 304 280 A 32 SER HA A 33 GLY H 1.0 . 2.73 305 281 A 21 ASN HB2 A 33 GLY H 1.0 . 3.47 306 282 A 25 LYS HD2 A 21 ASN HD21 1.0 . 4.29 307 283 A 21 ASN HB3 A 21 ASN HD21 1.0 . 3.02 308 284 A 21 ASN HB2 A 21 ASN HD21 1.0 . 3.51 309 285 A 2 THR HG2% A 2 THR H 1.0 . 3.30 310 286 A 1 LYS HGx A 2 THR H 1.0 . 3.36 311 287 A 9 SER H A 10 PHE H 1.0 . 2.73 312 288 A 10 PHE H A 10 PHE HB3 1.0 . 3.13 313 289 A 10 PHE H A 10 PHE HB2 1.0 . 3.17 314 290 A 34 ARG H A 34 ARG HG3 1.0 . 3.89 315 291 A 33 GLY HAx A 34 ARG H 1.0 . 3.31 316 292 A 34 ARG H A 42 TRP H 1.0 . 3.55 317 293 A 33 GLY HAy A 34 ARG H 1.0 . 2.92 318 294 A 34 ARG HG2 A 34 ARG H 1.0 . 3.63 319 295 A 23 HIS HB2 A 24 CYS H 1.0 . 3.15 320 296 A 24 CYS H A 23 HIS H 1.0 . 3.58 321 297 A 23 HIS HB3 A 24 CYS H 1.0 . 3.73 322 298 A 24 CYS HB3 A 24 CYS H 1.0 . 3.50 323 299 A 24 CYS HB2 A 24 CYS H 1.0 . 3.12 324 300 A 31 LEU HD1% A 46 ASN H 1.0 . 3.29 325 301 A 45 ARG HA A 46 ASN H 1.0 . 2.40 326 302 A 46 ASN HB3 A 46 ASN H 1.0 . 4.16 327 303 A 45 ARG HB2 A 46 ASN H 1.0 . 2.83 328 304 A 46 ASN H A 46 ASN HD2y 1.0 . 3.83 329 305 A 31 LEU HG A 46 ASN H 1.0 . 3.59 330 306 A 46 ASN HB2 A 46 ASN H 1.0 . 2.62 331 307 A 45 ARG HB3 A 46 ASN H 1.0 . 3.97 332 308 A 30 LEU HA A 31 LEU H 1.0 . 3.15 333 309 A 31 LEU HD1% A 31 LEU H 1.0 . 3.72 334 310 A 30 LEU HD2% A 31 LEU H 1.0 . 3.41 335 311 A 31 LEU HB2 A 31 LEU H 1.0 . 2.99 336 312 A 45 ARG HA A 31 LEU H 1.0 . 3.14 337 313 A 31 LEU HB3 A 31 LEU H 1.0 . 3.49 338 314 A 30 LEU HB3 A 31 LEU H 1.0 . 2.57 339 315 A 31 LEU HD2% A 31 LEU H 1.0 . 3.62 340 316 A 31 LEU HG A 31 LEU H 1.0 . 2.82 341 317 A 35 CYS H A 35 CYS HB2 1.0 . 3.99 342 318 A 34 ARG HB3 A 35 CYS H 1.0 . 3.74 343 319 A 42 TRP HB3 A 42 TRP H 1.0 . 3.82 344 320 A 42 TRP HD1 A 42 TRP H 1.0 . 3.73 345 321 A 42 TRP HB2 A 42 TRP H 1.0 . 3.33 346 322 A 42 TRP H A 41 CYS HA 1.0 . 2.77 347 323 A 34 ARG HB2 A 42 TRP H 1.0 . 3.67 348 324 A 43 CYS HB3 A 44 THR H 1.0 . 2.99 349 325 A 44 THR HG2% A 44 THR H 1.0 . 4.40 350 326 A 43 CYS HB2 A 44 THR H 1.0 . 3.95 351 327 A 43 CYS HA A 44 THR H 1.0 . 2.53 352 328 A 33 GLY HAy A 44 THR H 1.0 . 3.56 353 329 A 44 THR HB A 44 THR H 1.0 . 2.62 354 330 A 11 LYS HA A 12 GLY H 1.0 . 2.81 355 331 A 28 GLU HB2 A 30 LEU H 1.0 . 5.49 356 332 A 30 LEU HD2% A 30 LEU H 1.0 . 3.34 357 333 A 29 HIS HA A 30 LEU H 1.0 . 3.10 358 334 A 25 LYS HA A 30 LEU H 1.0 . 2.91 359 335 A 28 GLU HB3 A 30 LEU H 1.0 . 3.72 360 336 A 30 LEU HB2 A 30 LEU H 1.0 . 2.94 361 337 A 30 LEU HG A 30 LEU H 1.0 . 3.03 362 338 A 30 LEU HB3 A 30 LEU H 1.0 . 3.77 363 339 A 30 LEU H A 29 HIS H 1.0 . 2.96 364 340 A 5 ASN HA A 5 ASN HD2y 1.0 . 4.38 365 341 A 22 LYS HB3 A 22 LYS H 1.0 . 3.45 366 342 A 22 LYS HB2 A 22 LYS H 1.0 . 3.57 367 343 A 21 ASN HB3 A 22 LYS H 1.0 . 3.61 368 344 A 36 ARG HBy A 37 ASP H 1.0 . 3.33 369 345 A 37 ASP H A 37 ASP HB2 1.0 . 2.91 370 345 A 37 ASP HB3 A 37 ASP H 1.0 . 2.91 371 346 A 36 ARG HBx A 37 ASP H 1.0 . 2.68 372 347 A 9 SER H A 8 ASP H 1.0 . 2.74 373 348 A 8 ASP H A 7 SER HA 1.0 . 2.48 374 349 A 8 ASP HB3 A 8 ASP H 1.0 . 2.90 375 350 A 7 SER HB3 A 8 ASP H 1.0 . 3.81 376 351 A 31 LEU HD1% A 46 ASN HD2y 1.0 . 3.95 377 352 A 46 ASN HB3 A 46 ASN HD2y 1.0 . 3.78 378 353 A 31 LEU HD2% A 46 ASN HD2y 1.0 . 3.87 379 354 A 46 ASN HB2 A 46 ASN HD2y 1.0 . 3.11 380 355 A 26 GLU H A 27 LYS H 1.0 . 3.02 381 356 A 22 LYS HA A 26 GLU H 1.0 . 3.88 382 357 A 25 LYS HB2 A 26 GLU H 1.0 . 3.27 383 358 A 26 GLU HB2 A 26 GLU H 1.0 . 3.11 384 359 A 26 GLU HG3 A 26 GLU H 1.0 . 3.16 385 360 A 26 GLU HB3 A 26 GLU H 1.0 . 3.60 386 361 A 25 LYS HB3 A 26 GLU H 1.0 . 3.69 387 362 A 28 GLU HB2 A 29 HIS H 1.0 . 3.82 388 363 A 29 HIS H A 27 LYS H 1.0 . 3.63 389 364 A 29 HIS HA A 29 HIS H 1.0 . 2.47 390 365 A 28 GLU HA A 29 HIS H 1.0 . 3.51 391 366 A 29 HIS H A 28 GLU H 1.0 . 2.71 392 367 A 4 GLU HB3 A 5 ASN H 1.0 . 3.81 393 368 A 5 ASN H A 5 ASN HB3 1.0 . 3.18 394 369 A 4 GLU HG2 A 5 ASN H 1.0 . 3.93 395 370 A 4 GLU HG3 A 5 ASN H 1.0 . 3.82 396 371 A 5 ASN HB2 A 5 ASN H 1.0 . 3.95 397 372 A 42 TRP HE3 A 5 ASN H 1.0 . 3.48 398 373 A 4 GLU HA A 5 ASN H 1.0 . 2.47 399 374 A 41 CYS HB3 A 41 CYS H 1.0 . 3.64 400 375 A 40 ARG HB2 A 41 CYS H 1.0 . 3.86 401 376 A 40 ARG HB3 A 41 CYS H 1.0 . 3.01 402 377 A 41 CYS HB2 A 41 CYS H 1.0 . 3.19 403 378 A 40 ARG HA A 41 CYS H 1.0 . 2.78 404 379 A 45 ARG HG3 A 45 ARG H 1.0 . 3.63 405 380 A 44 THR HA A 45 ARG H 1.0 . 2.41 406 381 A 44 THR HG2% A 45 ARG H 1.0 . 2.89 407 382 A 45 ARG HB2 A 45 ARG H 1.0 . 3.94 408 383 A 2 THR HG2% A 45 ARG H 1.0 . 3.81 409 384 A 4 GLU HA A 45 ARG H 1.0 . 3.72 410 385 A 45 ARG HB3 A 45 ARG H 1.0 . 2.84 411 386 A 45 ARG HG2 A 45 ARG H 1.0 . 0.00 412 387 A 5 ASN HB3 A 6 LEU H 1.0 . 3.85 413 388 A 5 ASN HA A 6 LEU H 1.0 . 2.55 414 389 A 6 LEU HG A 6 LEU H 1.0 . 2.94 415 390 A 6 LEU HD1% A 6 LEU H 1.0 . 3.71 416 391 A 5 ASN HB2 A 6 LEU H 1.0 . 2.87 417 392 A 6 LEU HD2% A 6 LEU H 1.0 . 3.95 418 393 A 6 LEU HB3 A 6 LEU H 1.0 . 3.55 419 394 A 6 LEU HB2 A 6 LEU H 1.0 . 2.69 420 395 A 10 PHE HD% A 11 LYS H 1.0 . 4.02 421 396 A 11 LYS H A 11 LYS HD2 1.0 . 3.49 422 396 A 11 LYS H A 11 LYS HD3 1.0 . 3.49 423 397 A 10 PHE HA A 11 LYS H 1.0 . 2.98 424 398 A 28 GLU HB2 A 28 GLU H 1.0 . 3.30 425 399 A 27 LYS H A 28 GLU H 1.0 . 2.65 426 400 A 28 GLU H A 27 LYS HB3 1.0 . 3.50 427 401 A 24 CYS HA A 28 GLU H 1.0 . 3.50 428 402 A 28 GLU HB3 A 28 GLU H 1.0 . 3.55 429 403 A 27 LYS HG2 A 28 GLU H 1.0 . 4.37 430 404 A 27 LYS HG3 A 28 GLU H 1.0 . 3.79 431 405 A 28 GLU H A 28 GLU HG2 1.0 . 3.14 432 405 A 28 GLU HG3 A 28 GLU H 1.0 . 3.14 433 406 A 21 ASN HB3 A 21 ASN HD22 1.0 . 3.47 434 407 A 21 ASN HB2 A 21 ASN HD22 1.0 . 3.80 435 408 A 1 LYS HB3 A 2 THR H 1.0 . 3.17 436 409 A 2 THR H A 1 LYS HB2 1.0 . 0.00 stop_ save_