data_nef_c34345_6qbk 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6QBK stop_ 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 14 CYS SG 1 44 CYS SG 1 21 CYS SG 1 39 CYS SG 1 25 CYS SG 1 45 CYS SG 1 49 ARG C 1 50 AAR N 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 SER start . . 2 A 2 TYR middle . . 3 A 3 GLN middle . . 4 A 4 ARG middle . . 5 A 5 ILE middle . . 6 A 6 ARG middle . . 7 A 7 SER middle . . 8 A 8 ASP middle . . 9 A 9 HIS middle . . 10 A 10 ASP middle . . 11 A 11 SER middle . . 12 A 12 HIS middle . . 13 A 13 SER middle . . 14 A 14 CYS middle -HG . 15 A 15 ALA middle . . 16 A 16 ASN middle . . 17 A 17 ASN middle . . 18 A 18 ARG middle . . 19 A 19 GLY middle . false 20 A 20 TRP middle . . 21 A 21 CYS middle -HG . 22 A 22 ARG middle . . 23 A 23 PRO middle . false 24 A 24 THR middle . . 25 A 25 CYS middle -HG . 26 A 26 PHE middle . . 27 A 27 SER middle . . 28 A 28 HIS middle . . 29 A 29 GLU middle . . 30 A 30 TYR middle . . 31 A 31 THR middle . . 32 A 32 ASP middle . . 33 A 33 TRP middle . . 34 A 34 PHE middle . . 35 A 35 ASN middle . . 36 A 36 ASN middle . . 37 A 37 ASP middle . . 38 A 38 VAL middle . . 39 A 39 CYS middle -HG . 40 A 40 GLY middle . false 41 A 41 SER middle . . 42 A 42 TYR middle . . 43 A 43 ARG middle . . 44 A 44 CYS middle -HG . 45 A 45 CYS middle -HG . 46 A 46 ARG middle . . 47 A 47 PRO middle . false 48 A 48 GLY middle . false 49 A 49 ARG middle -OXT . 50 A 50 AAR end -H2 . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 SER HA H 1 4.108 0.000 A 1 SER HB2 H 1 3.955 0.000 A 1 SER HB3 H 1 3.955 0.000 A 1 SER CA C 13 54.544 0.000 A 1 SER CB C 13 60.371 0.000 A 2 TYR H H 1 8.654 0.000 A 2 TYR HA H 1 4.609 0.000 A 2 TYR HB2 H 1 2.984 0.000 A 2 TYR HB3 H 1 2.984 0.000 A 2 TYR HDx H 1 7.109 0.000 A 2 TYR HDy H 1 7.109 0.000 A 2 TYR HEx H 1 6.808 0.000 A 2 TYR HEy H 1 6.808 0.000 A 2 TYR CA C 13 55.467 0.000 A 2 TYR CB C 13 36.154 0.000 A 2 TYR N N 15 121.481 0.000 A 3 GLN H H 1 8.260 0.000 A 3 GLN HA H 1 4.267 0.000 A 3 GLN HB2 H 1 1.876 0.000 A 3 GLN HB3 H 1 1.979 0.000 A 3 GLN HE21 H 1 6.847 0.000 A 3 GLN HE22 H 1 7.458 0.000 A 3 GLN HG2 H 1 2.274 0.000 A 3 GLN HG3 H 1 2.274 0.000 A 3 GLN CA C 13 52.673 0.000 A 3 GLN CB C 13 27.192 0.000 A 3 GLN N N 15 123.824 0.000 A 3 GLN NE2 N 15 112.346 0.000 A 4 ARG H H 1 8.324 0.000 A 4 ARG HA H 1 4.249 0.000 A 4 ARG HB2 H 1 1.746 0.000 A 4 ARG HB3 H 1 1.804 0.000 A 4 ARG HD2 H 1 4.249 0.000 A 4 ARG HD3 H 1 4.249 0.000 A 4 ARG HE H 1 7.215 0.000 A 4 ARG HG2 H 1 1.606 0.000 A 4 ARG HG3 H 1 1.639 0.000 A 4 ARG CA C 13 53.597 0.000 A 4 ARG CB C 13 28.105 0.000 A 4 ARG N N 15 123.453 0.000 A 5 ILE H H 1 8.227 0.000 A 5 ILE HA H 1 4.161 0.000 A 5 ILE HB H 1 1.850 0.000 A 5 ILE HD1% H 1 0.847 0.000 A 5 ILE HG12 H 1 1.472 0.000 A 5 ILE HG13 H 1 1.192 0.000 A 5 ILE HG2% H 1 0.893 0.000 A 5 ILE CA C 13 58.307 0.000 A 5 ILE CB C 13 36.056 0.000 A 5 ILE N N 15 122.801 0.000 A 6 ARG H H 1 8.508 0.000 A 6 ARG HA H 1 4.388 0.000 A 6 ARG HB2 H 1 1.887 0.000 A 6 ARG HB3 H 1 1.789 0.000 A 6 ARG HD2 H 1 3.218 0.000 A 6 ARG HD3 H 1 3.216 0.000 A 6 ARG HE H 1 7.351 0.000 A 6 ARG HG2 H 1 1.625 0.000 A 6 ARG HG3 H 1 1.666 0.000 A 6 ARG CA C 13 53.479 0.000 A 6 ARG CB C 13 28.267 0.000 A 6 ARG N N 15 125.899 0.000 A 7 SER H H 1 8.429 0.000 A 7 SER HA H 1 4.450 0.000 A 7 SER HB2 H 1 3.857 0.000 A 7 SER HB3 H 1 3.815 0.000 A 7 SER CA C 13 55.565 0.000 A 7 SER CB C 13 61.093 0.000 A 7 SER N N 15 117.738 0.000 A 8 ASP H H 1 8.488 0.000 A 8 ASP HA H 1 4.672 0.000 A 8 ASP HB2 H 1 2.852 0.000 A 8 ASP HB3 H 1 2.691 0.000 A 8 ASP CA C 13 51.245 0.000 A 8 ASP CB C 13 38.029 0.000 A 8 ASP N N 15 122.617 0.000 A 9 HIS H H 1 8.500 0.000 A 9 HIS HA H 1 4.376 0.000 A 9 HIS HB2 H 1 3.255 0.000 A 9 HIS HB3 H 1 3.174 0.000 A 9 HIS HD2 H 1 7.310 0.000 A 9 HIS HE1 H 1 8.544 0.000 A 9 HIS CA C 13 54.912 0.000 A 9 HIS CB C 13 25.795 0.000 A 9 HIS N N 15 120.723 0.000 A 10 ASP H H 1 8.123 0.000 A 10 ASP HA H 1 4.428 0.000 A 10 ASP HB2 H 1 2.421 0.000 A 10 ASP HB3 H 1 1.386 0.000 A 10 ASP CA C 13 52.427 0.000 A 10 ASP CB C 13 37.916 0.000 A 10 ASP N N 15 117.697 0.000 A 11 SER H H 1 7.418 0.000 A 11 SER HA H 1 4.481 0.000 A 11 SER HB2 H 1 3.960 0.000 A 11 SER HB3 H 1 4.396 0.000 A 11 SER CA C 13 54.284 0.000 A 11 SER CB C 13 59.937 0.000 A 11 SER N N 15 112.100 0.000 A 12 HIS H H 1 6.670 0.000 A 12 HIS HA H 1 4.217 0.000 A 12 HIS HB2 H 1 3.035 0.000 A 12 HIS HB3 H 1 3.363 0.000 A 12 HIS HD2 H 1 7.356 0.000 A 12 HIS HE1 H 1 8.220 0.000 A 12 HIS CA C 13 52.456 0.000 A 12 HIS CB C 13 26.458 0.000 A 12 HIS N N 15 120.200 0.000 A 13 SER H H 1 8.445 0.000 A 13 SER HA H 1 4.220 0.000 A 13 SER HB2 H 1 4.014 0.000 A 13 SER HB3 H 1 4.063 0.000 A 13 SER CA C 13 55.616 0.000 A 13 SER CB C 13 62.664 0.000 A 13 SER N N 15 114.910 0.000 A 14 CYS H H 1 7.851 0.000 A 14 CYS HA H 1 4.830 0.000 A 14 CYS HB2 H 1 2.752 0.000 A 14 CYS HB3 H 1 3.584 0.000 A 14 CYS CA C 13 52.771 0.000 A 14 CYS CB C 13 48.457 0.000 A 14 CYS N N 15 113.999 0.000 A 15 ALA H H 1 9.244 0.000 A 15 ALA HA H 1 3.837 0.000 A 15 ALA HB% H 1 1.289 0.000 A 15 ALA CA C 13 49.635 0.000 A 15 ALA CB C 13 14.419 0.000 A 15 ALA N N 15 120.342 0.000 A 16 ASN H H 1 8.729 0.000 A 16 ASN HA H 1 4.220 0.000 A 16 ASN HB2 H 1 3.031 0.000 A 16 ASN HB3 H 1 2.641 0.000 A 16 ASN HD21 H 1 7.494 0.000 A 16 ASN HD22 H 1 6.899 0.000 A 16 ASN CA C 13 50.793 0.000 A 16 ASN CB C 13 34.063 0.000 A 16 ASN N N 15 118.397 0.000 A 16 ASN ND2 N 15 112.062 0.000 A 17 ASN H H 1 8.368 0.000 A 17 ASN HA H 1 4.221 0.000 A 17 ASN HB2 H 1 3.202 0.000 A 17 ASN HB3 H 1 3.002 0.000 A 17 ASN HD21 H 1 7.580 0.000 A 17 ASN HD22 H 1 6.925 0.000 A 17 ASN CA C 13 51.644 0.000 A 17 ASN CB C 13 34.868 0.000 A 17 ASN N N 15 110.358 0.000 A 17 ASN ND2 N 15 113.439 0.000 A 18 ARG H H 1 7.731 0.000 A 18 ARG HA H 1 4.627 0.000 A 18 ARG HB2 H 1 1.948 0.000 A 18 ARG HB3 H 1 2.116 0.000 A 18 ARG HD2 H 1 3.199 0.000 A 18 ARG HD3 H 1 3.328 0.000 A 18 ARG HE H 1 7.136 0.000 A 18 ARG HG2 H 1 1.861 0.000 A 18 ARG HG3 H 1 1.774 0.000 A 18 ARG CA C 13 53.621 0.000 A 18 ARG CB C 13 28.416 0.000 A 18 ARG N N 15 116.061 0.000 A 19 GLY H H 1 8.211 0.000 A 19 GLY HA2 H 1 3.409 0.000 A 19 GLY HA3 H 1 4.809 0.000 A 19 GLY CA C 13 42.029 0.000 A 19 GLY N N 15 106.126 0.000 A 20 TRP H H 1 9.033 0.000 A 20 TRP HA H 1 4.562 0.000 A 20 TRP HB2 H 1 2.759 0.000 A 20 TRP HB3 H 1 2.940 0.000 A 20 TRP HD1 H 1 6.934 0.000 A 20 TRP HE1 H 1 9.593 0.000 A 20 TRP HE3 H 1 7.386 0.000 A 20 TRP HH2 H 1 7.205 0.000 A 20 TRP HZ2 H 1 7.590 0.000 A 20 TRP HZ3 H 1 7.290 0.000 A 20 TRP CA C 13 54.295 0.000 A 20 TRP CB C 13 30.557 0.000 A 20 TRP N N 15 123.338 0.000 A 20 TRP NE1 N 15 127.637 0.000 A 21 CYS H H 1 7.959 0.000 A 21 CYS HA H 1 5.618 0.000 A 21 CYS HB2 H 1 3.058 0.000 A 21 CYS HB3 H 1 2.806 0.000 A 21 CYS CA C 13 50.404 0.000 A 21 CYS CB C 13 34.543 0.000 A 21 CYS N N 15 126.277 0.000 A 22 ARG H H 1 9.377 0.000 A 22 ARG HA H 1 4.611 0.000 A 22 ARG HB2 H 1 1.396 0.000 A 22 ARG HB3 H 1 1.221 0.000 A 22 ARG HD2 H 1 2.426 0.000 A 22 ARG HD3 H 1 2.426 0.000 A 22 ARG HE H 1 8.732 0.000 A 22 ARG HG2 H 1 1.725 0.000 A 22 ARG HG3 H 1 1.725 0.000 A 22 ARG CA C 13 50.461 0.000 A 22 ARG CB C 13 30.625 0.000 A 22 ARG N N 15 122.374 0.000 A 23 PRO HA H 1 3.801 0.000 A 23 PRO HB2 H 1 1.854 0.000 A 23 PRO HB3 H 1 2.068 0.000 A 23 PRO HD2 H 1 2.447 0.000 A 23 PRO HD3 H 1 3.429 0.000 A 23 PRO HG2 H 1 1.963 0.000 A 23 PRO HG3 H 1 1.599 0.000 A 23 PRO CA C 13 62.187 0.000 A 23 PRO CB C 13 28.223 0.000 A 24 THR H H 1 6.392 0.000 A 24 THR HA H 1 4.031 0.000 A 24 THR HB H 1 3.795 0.000 A 24 THR HG2% H 1 1.156 0.000 A 24 THR CA C 13 57.951 0.000 A 24 THR CB C 13 68.860 0.000 A 24 THR N N 15 107.108 0.000 A 25 CYS H H 1 8.635 0.000 A 25 CYS HA H 1 4.653 0.000 A 25 CYS HB2 H 1 2.481 0.000 A 25 CYS HB3 H 1 3.173 0.000 A 25 CYS CA C 13 49.983 0.000 A 25 CYS CB C 13 31.504 0.000 A 25 CYS N N 15 122.103 0.000 A 26 PHE H H 1 8.679 0.000 A 26 PHE HA H 1 4.899 0.000 A 26 PHE HB2 H 1 2.533 0.000 A 26 PHE HB3 H 1 3.476 0.000 A 26 PHE HD1 H 1 7.094 0.000 A 26 PHE HD2 H 1 7.094 0.000 A 26 PHE HE1 H 1 7.247 0.000 A 26 PHE HE2 H 1 7.247 0.000 A 26 PHE HZ H 1 7.187 0.000 A 26 PHE CA C 13 52.046 0.000 A 26 PHE CB C 13 35.858 0.000 A 26 PHE N N 15 121.243 0.000 A 27 SER H H 1 8.692 0.000 A 27 SER HA H 1 4.188 0.000 A 27 SER HB2 H 1 3.817 0.000 A 27 SER HB3 H 1 3.817 0.000 A 27 SER CA C 13 58.493 0.000 A 27 SER CB C 13 60.301 0.000 A 27 SER N N 15 114.647 0.000 A 28 HIS H H 1 8.319 0.000 A 28 HIS HA H 1 4.821 0.000 A 28 HIS HB2 H 1 3.446 0.000 A 28 HIS HB3 H 1 3.446 0.000 A 28 HIS HD2 H 1 7.246 0.000 A 28 HIS HE1 H 1 8.425 0.000 A 28 HIS CA C 13 52.771 0.000 A 28 HIS CB C 13 24.762 0.000 A 28 HIS N N 15 123.499 0.000 A 29 GLU H H 1 7.662 0.000 A 29 GLU HA H 1 5.204 0.000 A 29 GLU HB2 H 1 2.232 0.000 A 29 GLU HB3 H 1 1.586 0.000 A 29 GLU HG2 H 1 2.045 0.000 A 29 GLU HG3 H 1 1.826 0.000 A 29 GLU CA C 13 51.915 0.000 A 29 GLU CB C 13 31.384 0.000 A 29 GLU N N 15 118.872 0.000 A 30 TYR H H 1 9.162 0.000 A 30 TYR HA H 1 5.031 0.000 A 30 TYR HB2 H 1 3.098 0.000 A 30 TYR HB3 H 1 2.861 0.000 A 30 TYR HD1 H 1 6.826 0.000 A 30 TYR HD2 H 1 6.826 0.000 A 30 TYR HE1 H 1 6.585 0.000 A 30 TYR HE2 H 1 6.585 0.000 A 30 TYR CA C 13 52.383 0.000 A 30 TYR CB C 13 38.696 0.000 A 30 TYR N N 15 117.806 0.000 A 31 THR H H 1 8.424 0.000 A 31 THR HA H 1 4.202 0.000 A 31 THR HB H 1 3.530 0.000 A 31 THR HG2% H 1 -0.173 0.000 A 31 THR CA C 13 60.005 0.000 A 31 THR CB C 13 66.478 0.000 A 31 THR N N 15 116.766 0.000 A 32 ASP H H 1 9.028 0.000 A 32 ASP HA H 1 4.798 0.000 A 32 ASP HB2 H 1 2.486 0.000 A 32 ASP HB3 H 1 2.014 0.000 A 32 ASP CA C 13 48.864 0.000 A 32 ASP CB C 13 37.637 0.000 A 32 ASP N N 15 128.850 0.000 A 33 TRP H H 1 7.471 0.000 A 33 TRP HA H 1 4.129 0.000 A 33 TRP HB2 H 1 2.905 0.000 A 33 TRP HB3 H 1 3.349 0.000 A 33 TRP HD1 H 1 7.398 0.000 A 33 TRP HE1 H 1 10.217 0.000 A 33 TRP HE3 H 1 7.557 0.000 A 33 TRP HH2 H 1 7.216 0.000 A 33 TRP HZ2 H 1 7.539 0.000 A 33 TRP HZ3 H 1 7.121 0.000 A 33 TRP CA C 13 56.678 0.000 A 33 TRP CB C 13 26.563 0.000 A 33 TRP N N 15 123.076 0.000 A 34 PHE H H 1 8.211 0.000 A 34 PHE HA H 1 4.444 0.000 A 34 PHE HB2 H 1 3.163 0.000 A 34 PHE HB3 H 1 3.162 0.000 A 34 PHE HD1 H 1 7.355 0.000 A 34 PHE HD2 H 1 7.355 0.000 A 34 PHE HE1 H 1 7.429 0.000 A 34 PHE HE2 H 1 7.429 0.000 A 34 PHE HZ H 1 7.435 0.000 A 34 PHE CA C 13 57.215 0.000 A 34 PHE CB C 13 36.343 0.000 A 34 PHE N N 15 117.814 0.000 A 35 ASN H H 1 7.626 0.000 A 35 ASN HA H 1 5.094 0.000 A 35 ASN HB2 H 1 3.190 0.000 A 35 ASN HB3 H 1 2.272 0.000 A 35 ASN HD21 H 1 9.198 0.000 A 35 ASN HD22 H 1 7.088 0.000 A 35 ASN CA C 13 50.662 0.000 A 35 ASN CB C 13 38.375 0.000 A 35 ASN N N 15 115.909 0.000 A 35 ASN ND2 N 15 119.145 0.000 A 36 ASN H H 1 7.468 0.000 A 36 ASN HA H 1 4.291 0.000 A 36 ASN HB2 H 1 2.936 0.000 A 36 ASN HB3 H 1 2.902 0.000 A 36 ASN HD21 H 1 7.817 0.000 A 36 ASN HD22 H 1 5.616 0.000 A 36 ASN CA C 13 52.939 0.000 A 36 ASN CB C 13 36.486 0.000 A 36 ASN N N 15 116.908 0.000 A 36 ASN ND2 N 15 109.812 0.000 A 37 ASP H H 1 8.551 0.000 A 37 ASP HA H 1 4.359 0.000 A 37 ASP HB2 H 1 2.736 0.000 A 37 ASP HB3 H 1 2.799 0.000 A 37 ASP CA C 13 54.263 0.000 A 37 ASP CB C 13 36.424 0.000 A 37 ASP N N 15 119.287 0.000 A 38 VAL H H 1 7.322 0.000 A 38 VAL HA H 1 4.343 0.000 A 38 VAL HB H 1 2.425 0.000 A 38 VAL HG1% H 1 1.065 0.000 A 38 VAL HG2% H 1 1.022 0.000 A 38 VAL CA C 13 59.653 0.000 A 38 VAL CB C 13 29.078 0.000 A 38 VAL N N 15 112.461 0.000 A 39 CYS H H 1 7.871 0.000 A 39 CYS HA H 1 4.738 0.000 A 39 CYS HB2 H 1 2.831 0.000 A 39 CYS HB3 H 1 2.597 0.000 A 39 CYS CA C 13 49.378 0.000 A 39 CYS CB C 13 34.004 0.000 A 39 CYS N N 15 117.000 0.000 A 40 GLY H H 1 7.910 0.000 A 40 GLY HA2 H 1 3.953 0.000 A 40 GLY HA3 H 1 3.627 0.000 A 40 GLY CA C 13 45.127 0.000 A 40 GLY N N 15 110.687 0.000 A 41 SER H H 1 8.714 0.000 A 41 SER HA H 1 4.481 0.000 A 41 SER HB2 H 1 3.912 0.000 A 41 SER HB3 H 1 3.915 0.000 A 41 SER CA C 13 56.964 0.000 A 41 SER CB C 13 61.113 0.000 A 41 SER N N 15 124.532 0.000 A 42 TYR H H 1 7.876 0.000 A 42 TYR HA H 1 4.738 0.000 A 42 TYR HB2 H 1 2.934 0.000 A 42 TYR HB3 H 1 3.224 0.000 A 42 TYR HD1 H 1 6.617 0.000 A 42 TYR HD2 H 1 6.617 0.000 A 42 TYR HE1 H 1 6.737 0.000 A 42 TYR HE2 H 1 6.737 0.000 A 42 TYR CA C 13 50.624 0.000 A 42 TYR CB C 13 35.200 0.000 A 42 TYR N N 15 123.706 0.000 A 43 ARG H H 1 8.512 0.000 A 43 ARG HA H 1 4.503 0.000 A 43 ARG HB2 H 1 1.388 0.000 A 43 ARG HB3 H 1 1.389 0.000 A 43 ARG HD2 H 1 2.915 0.000 A 43 ARG HD3 H 1 2.915 0.000 A 43 ARG HE H 1 7.010 0.000 A 43 ARG HG2 H 1 1.389 0.000 A 43 ARG HG3 H 1 1.466 0.000 A 43 ARG CA C 13 50.738 0.000 A 43 ARG CB C 13 30.112 0.000 A 43 ARG N N 15 116.270 0.000 A 44 CYS H H 1 8.755 0.000 A 44 CYS HA H 1 4.622 0.000 A 44 CYS HB2 H 1 2.933 0.000 A 44 CYS HB3 H 1 2.819 0.000 A 44 CYS CA C 13 52.024 0.000 A 44 CYS CB C 13 35.886 0.000 A 44 CYS N N 15 118.109 0.000 A 45 CYS H H 1 8.531 0.000 A 45 CYS HA H 1 5.061 0.000 A 45 CYS HB2 H 1 2.803 0.000 A 45 CYS HB3 H 1 2.733 0.000 A 45 CYS CA C 13 51.087 0.000 A 45 CYS CB C 13 38.095 0.000 A 45 CYS N N 15 129.762 0.000 A 46 ARG H H 1 8.882 0.000 A 46 ARG HA H 1 4.924 0.000 A 46 ARG HB2 H 1 0.529 0.000 A 46 ARG HB3 H 1 1.748 0.000 A 46 ARG HD2 H 1 2.882 0.000 A 46 ARG HD3 H 1 3.158 0.000 A 46 ARG HE H 1 7.161 0.000 A 46 ARG HG2 H 1 1.308 0.000 A 46 ARG HG3 H 1 1.384 0.000 A 46 ARG CA C 13 49.834 0.000 A 46 ARG CB C 13 29.892 0.000 A 46 ARG N N 15 125.106 0.000 A 47 PRO HA H 1 4.654 0.000 A 47 PRO HB2 H 1 2.472 0.000 A 47 PRO HB3 H 1 2.103 0.000 A 47 PRO HD2 H 1 3.830 0.000 A 47 PRO HD3 H 1 4.119 0.000 A 47 PRO HG2 H 1 2.179 0.000 A 47 PRO HG3 H 1 2.262 0.000 A 47 PRO CA C 13 60.717 0.000 A 47 PRO CB C 13 29.845 0.000 A 48 GLY H H 1 8.631 0.000 A 48 GLY HA2 H 1 4.033 0.000 A 48 GLY HA3 H 1 4.228 0.000 A 48 GLY CA C 13 42.416 0.000 A 48 GLY N N 15 109.990 0.000 A 49 ARG H H 1 8.283 0.000 A 49 ARG HA H 1 4.364 0.000 A 49 ARG HB2 H 1 1.786 0.000 A 49 ARG HB3 H 1 1.685 0.000 A 49 ARG HD2 H 1 3.176 0.000 A 49 ARG HD3 H 1 3.177 0.000 A 49 ARG HE H 1 7.136 0.000 A 49 ARG HG2 H 1 1.608 0.000 A 49 ARG HG3 H 1 1.608 0.000 A 49 ARG CA C 13 52.936 0.000 A 49 ARG CB C 13 28.887 0.000 A 49 ARG CD C 13 47.100 0.000 A 49 ARG N N 15 120.283 0.000 A 50 AAR H H 1 8.343 0.000 A 50 AAR HA H 1 3.966 0.000 A 50 AAR HB2 H 1 1.556 0.000 A 50 AAR HB3 H 1 1.705 0.000 A 50 AAR HD2 H 1 3.169 0.000 A 50 AAR HD3 H 1 3.171 0.000 A 50 AAR HE H 1 7.195 0.000 A 50 AAR HG2 H 1 1.504 0.000 A 50 AAR HG3 H 1 1.504 0.000 A 50 AAR CA C 13 53.387 0.000 A 50 AAR CB C 13 28.071 0.000 A 50 AAR N N 15 123.467 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 39 CYS H A 39 CYS HA 1.0 1.685 3.139 2 1 A 42 TYR H A 42 TYR HA 1.0 1.685 3.139 3 2 A 6 ARG H A 6 ARG HA 1.0 1.640 2.964 4 2 A 9 HIS H A 9 HIS HA 1.0 1.640 2.964 5 3 A 13 SER H A 13 SER HA 1.0 1.531 2.593 6 3 A 13 SER H A 12 HIS HA 1.0 1.531 2.593 7 4 A 17 ASN H A 17 ASN HA 1.0 1.467 2.405 8 4 A 17 ASN H A 16 ASN HA 1.0 1.467 2.405 9 5 A 17 ASN HA A 18 ARG H 1.0 1.752 3.432 10 5 A 16 ASN HA A 18 ARG H 1.0 1.752 3.432 11 6 A 25 CYS H A 24 THR HA 1.0 1.414 2.254 12 6 A 48 GLY H A 48 GLY HA3 1.0 1.414 2.254 13 7 A 27 SER H A 27 SER HB2 1.0 1.586 2.776 14 7 A 27 SER H A 27 SER HB3 1.0 1.586 2.776 15 8 A 24 THR H A 24 THR HB 1.0 1.763 3.485 16 8 A 24 THR H A 23 PRO HA 1.0 1.763 3.485 17 9 A 34 PHE H A 34 PHE HB3 1.0 1.528 2.588 18 9 A 34 PHE H A 34 PHE HB2 1.0 1.528 2.588 19 10 A 34 PHE HB3 A 34 PHE HD1 1.0 1.641 2.969 20 10 A 34 PHE HB3 A 34 PHE HD2 1.0 1.641 2.969 21 10 A 34 PHE HB2 A 34 PHE HD2 1.0 1.641 2.969 22 10 A 34 PHE HB2 A 34 PHE HD1 1.0 1.641 2.969 23 11 A 2 TYR HDy A 2 TYR HB2 1.0 1.758 3.458 24 11 A 2 TYR HDx A 2 TYR HB2 1.0 1.758 3.458 25 11 A 2 TYR HB3 A 2 TYR HDy 1.0 1.758 3.458 26 11 A 2 TYR HDx A 2 TYR HB3 1.0 1.758 3.458 27 12 A 43 ARG HE A 43 ARG HD3 1.0 1.690 3.160 28 12 A 43 ARG HE A 43 ARG HD2 1.0 1.690 3.160 29 13 A 36 ASN H A 36 ASN HB2 1.0 1.548 2.650 30 13 A 33 TRP H A 33 TRP HB3 1.0 1.548 2.650 31 14 A 39 CYS H A 39 CYS HB3 1.0 1.657 3.027 32 14 A 42 TYR H A 39 CYS HB3 1.0 1.657 3.027 33 15 A 22 ARG HE A 22 ARG HD2 1.0 1.626 2.916 34 15 A 22 ARG HE A 22 ARG HD3 1.0 1.626 2.916 35 16 A 20 TRP HD1 A 22 ARG HG2 1.0 1.654 3.018 36 16 A 20 TRP HD1 A 22 ARG HG3 1.0 1.654 3.018 37 17 A 16 ASN HA A 18 ARG HD2 1.0 1.882 4.172 38 17 A 16 ASN HA A 17 ASN HB3 1.0 1.882 4.172 39 18 A 16 ASN HA A 16 ASN HB3 1.0 1.525 2.579 40 18 A 12 HIS HA A 12 HIS HB3 1.0 1.525 2.579 41 19 A 27 SER HB3 A 27 SER HA 1.0 1.476 2.428 42 19 A 27 SER HB2 A 27 SER HA 1.0 1.476 2.428 43 20 A 47 PRO HB3 A 49 ARG HD3 1.0 1.684 3.138 44 20 A 49 ARG HD2 A 47 PRO HB3 1.0 1.684 3.138 45 21 A 17 ASN HB3 A 47 PRO HG3 1.0 0.000 6.000 46 21 A 18 ARG HD2 A 47 PRO HG3 1.0 0.000 6.000 47 22 A 49 ARG HD3 A 47 PRO HG3 1.0 0.000 6.000 48 22 A 49 ARG HD2 A 47 PRO HG3 1.0 0.000 6.000 49 23 A 36 ASN HB3 A 37 ASP HB3 1.0 1.979 5.193 50 23 A 44 CYS HB3 A 20 TRP HB2 1.0 1.979 5.193 51 24 A 46 ARG HD3 A 15 ALA HB% 1.0 0.000 6.000 52 24 A 34 PHE HB2 A 15 ALA HB% 1.0 0.000 6.000 53 25 A 22 ARG HG2 A 22 ARG HB2 1.0 1.673 3.093 54 25 A 22 ARG HG3 A 22 ARG HB2 1.0 1.673 3.093 55 26 A 6 ARG HG2 A 6 ARG HD3 1.0 1.745 3.399 56 26 A 6 ARG HD2 A 6 ARG HG2 1.0 1.745 3.399 57 27 A 49 ARG HD3 A 49 ARG HG2 1.0 1.652 3.010 58 27 A 49 ARG HD2 A 49 ARG HG3 1.0 1.652 3.010 59 27 A 49 ARG HD3 A 49 ARG HG3 1.0 1.652 3.010 60 27 A 49 ARG HD2 A 49 ARG HG2 1.0 1.652 3.010 61 28 A 43 ARG HD3 A 43 ARG HG3 1.0 1.639 2.965 62 28 A 43 ARG HD2 A 43 ARG HB3 1.0 1.639 2.965 63 28 A 43 ARG HD2 A 43 ARG HB2 1.0 1.639 2.965 64 29 A 3 GLN HB3 A 3 GLN HG3 1.0 1.643 2.977 65 29 A 3 GLN HG2 A 3 GLN HB3 1.0 1.643 2.977 66 30 A 22 ARG HD3 A 26 PHE H 1.0 0.000 6.000 67 30 A 22 ARG HD2 A 26 PHE H 1.0 0.000 6.000 68 31 A 22 ARG HD2 A 26 PHE HE1 1.0 1.872 4.102 69 31 A 22 ARG HD3 A 26 PHE HE2 1.0 1.872 4.102 70 31 A 22 ARG HD3 A 26 PHE HE1 1.0 1.872 4.102 71 31 A 22 ARG HD2 A 26 PHE HE2 1.0 1.872 4.102 72 32 A 22 ARG HD2 A 20 TRP HD1 1.0 1.870 4.092 73 32 A 22 ARG HD3 A 20 TRP HD1 1.0 1.870 4.092 74 33 A 49 ARG HG2 A 49 ARG H 1.0 1.820 3.782 75 33 A 49 ARG HG3 A 49 ARG H 1.0 1.820 3.782 76 34 A 22 ARG H A 22 ARG HB3 1.0 1.848 3.946 77 34 A 43 ARG HG3 A 22 ARG H 1.0 1.848 3.946 78 35 A 43 ARG HB3 A 36 ASN HD21 1.0 1.904 4.348 79 35 A 43 ARG HB2 A 36 ASN HD21 1.0 1.904 4.348 80 36 A 26 PHE HE2 A 26 PHE HA 1.0 1.827 3.823 81 36 A 26 PHE HE1 A 26 PHE HA 1.0 1.827 3.823 82 36 A 28 HIS HD2 A 26 PHE HA 1.0 1.827 3.823 83 37 A 39 CYS H A 40 GLY HA2 1.0 0.000 6.000 84 37 A 42 TYR H A 40 GLY HA2 1.0 0.000 6.000 85 38 A 28 HIS H A 28 HIS HB3 1.0 1.871 4.099 86 38 A 28 HIS H A 28 HIS HB2 1.0 1.871 4.099 87 39 A 28 HIS HD2 A 28 HIS HB3 1.0 1.796 3.650 88 39 A 28 HIS HD2 A 28 HIS HB2 1.0 1.796 3.650 89 40 A 6 ARG HD2 A 4 ARG HE 1.0 1.826 3.816 90 40 A 6 ARG HD3 A 4 ARG HE 1.0 1.826 3.816 91 41 A 34 PHE HB3 A 33 TRP H 1.0 1.890 4.240 92 41 A 34 PHE HB2 A 33 TRP H 1.0 1.890 4.240 93 41 A 34 PHE HB2 A 36 ASN H 1.0 1.890 4.240 94 42 A 34 PHE HB2 A 34 PHE HE2 1.0 1.844 3.918 95 42 A 34 PHE HB2 A 34 PHE HE1 1.0 1.844 3.918 96 42 A 34 PHE HB3 A 34 PHE HE1 1.0 1.844 3.918 97 42 A 34 PHE HB3 A 34 PHE HE2 1.0 1.844 3.918 98 43 A 22 ARG H A 45 CYS HB3 1.0 1.861 4.031 99 43 A 22 ARG H A 21 CYS HB3 1.0 1.861 4.031 100 44 A 6 ARG HB2 A 4 ARG HD3 1.0 1.877 4.139 101 44 A 4 ARG HD2 A 6 ARG HB2 1.0 1.877 4.139 102 45 A 4 ARG HD3 A 4 ARG HB3 1.0 1.789 3.611 103 45 A 4 ARG HB3 A 4 ARG HA 1.0 1.789 3.611 104 45 A 4 ARG HD2 A 4 ARG HB3 1.0 1.789 3.611 105 46 A 4 ARG HD2 A 4 ARG HG2 1.0 1.900 4.316 106 46 A 4 ARG HD3 A 4 ARG HG2 1.0 1.900 4.316 107 47 A 22 ARG HD2 A 22 ARG HG3 1.0 1.849 3.953 108 47 A 22 ARG HD3 A 22 ARG HG2 1.0 1.849 3.953 109 47 A 22 ARG HD3 A 22 ARG HG3 1.0 1.849 3.953 110 48 A 43 ARG HD3 A 43 ARG HG2 1.0 1.789 3.609 111 48 A 43 ARG HD2 A 43 ARG HG2 1.0 1.789 3.609 112 49 A 3 GLN HG2 A 3 GLN HB2 1.0 1.574 2.732 113 49 A 3 GLN HG3 A 3 GLN HB2 1.0 1.574 2.732 114 50 A 12 HIS HE1 A 12 HIS HD2 1.0 1.863 4.041 115 50 A 34 PHE H A 34 PHE HD2 1.0 1.863 4.041 116 50 A 34 PHE H A 34 PHE HD1 1.0 1.863 4.041 117 51 A 12 HIS HA A 12 HIS HD2 1.0 1.922 4.496 118 51 A 12 HIS HA A 6 ARG HE 1.0 1.922 4.496 119 52 A 27 SER HB3 A 28 HIS H 1.0 1.939 4.665 120 52 A 27 SER HB2 A 28 HIS H 1.0 1.939 4.665 121 53 A 27 SER HB3 A 28 HIS HD2 1.0 1.912 4.412 122 53 A 27 SER HB2 A 28 HIS HD2 1.0 1.912 4.412 123 54 A 2 TYR HB3 A 3 GLN H 1.0 1.918 4.462 124 54 A 2 TYR HB2 A 3 GLN H 1.0 1.918 4.462 125 55 A 22 ARG HD2 A 26 PHE HZ 1.0 1.912 4.408 126 55 A 22 ARG HD3 A 26 PHE HZ 1.0 1.912 4.408 127 56 A 22 ARG HD3 A 26 PHE HD2 1.0 1.931 4.585 128 56 A 22 ARG HD3 A 26 PHE HD1 1.0 1.931 4.585 129 56 A 22 ARG HD2 A 26 PHE HD1 1.0 1.931 4.585 130 56 A 22 ARG HD2 A 26 PHE HD2 1.0 1.931 4.585 131 57 A 22 ARG HG2 A 22 ARG H 1.0 1.949 4.777 132 57 A 22 ARG HG3 A 22 ARG H 1.0 1.949 4.777 133 58 A 22 ARG HE A 22 ARG HG2 1.0 1.930 4.582 134 58 A 22 ARG HE A 22 ARG HG3 1.0 1.930 4.582 135 59 A 25 CYS H A 43 ARG HG3 1.0 1.943 4.711 136 59 A 25 CYS H A 22 ARG HB3 1.0 1.943 4.711 137 60 A 43 ARG HB3 A 36 ASN HD22 1.0 1.952 4.814 138 60 A 43 ARG HB2 A 36 ASN HD22 1.0 1.952 4.814 139 61 A 1 SER HA A 1 SER HB3 1.0 1.426 2.288 140 61 A 1 SER HA A 1 SER HB2 1.0 1.426 2.288 141 62 A 23 PRO HA A 23 PRO HG2 1.0 1.948 4.772 142 62 A 24 THR HB A 23 PRO HG2 1.0 1.948 4.772 143 63 A 4 ARG HD3 A 4 ARG HG3 1.0 1.942 4.706 144 63 A 4 ARG HD2 A 4 ARG HG3 1.0 1.942 4.706 145 64 A 1 SER HB3 A 4 ARG HG3 1.0 0.000 6.000 146 64 A 1 SER HB2 A 4 ARG HG3 1.0 0.000 6.000 147 65 A 24 THR HA A 43 ARG HG3 1.0 1.920 4.480 148 65 A 24 THR HA A 22 ARG HB3 1.0 1.920 4.480 149 66 A 23 PRO HA A 22 ARG HB3 1.0 1.949 4.767 150 66 A 23 PRO HA A 43 ARG HG3 1.0 1.949 4.767 151 67 A 36 ASN H A 36 ASN HD21 1.0 0.000 6.000 152 67 A 33 TRP H A 36 ASN HD21 1.0 0.000 6.000 153 68 A 29 GLU H A 47 PRO HA 1.0 1.983 5.273 154 68 A 29 GLU H A 25 CYS HA 1.0 1.983 5.273 155 69 A 28 HIS HD2 A 47 PRO HA 1.0 1.972 5.092 156 69 A 26 PHE HE2 A 25 CYS HA 1.0 1.972 5.092 157 69 A 26 PHE HE1 A 25 CYS HA 1.0 1.972 5.092 158 70 A 48 GLY H A 28 HIS HB3 1.0 1.960 4.910 159 70 A 48 GLY H A 28 HIS HB2 1.0 1.960 4.910 160 71 A 3 GLN HG3 A 3 GLN H 1.0 1.976 5.152 161 71 A 3 GLN HG2 A 3 GLN H 1.0 1.976 5.152 162 72 A 34 PHE H A 35 ASN HB2 1.0 1.972 5.084 163 72 A 47 PRO HG3 A 19 GLY H 1.0 1.972 5.084 164 73 A 22 ARG HG3 A 20 TRP HE1 1.0 1.979 5.203 165 73 A 22 ARG HG2 A 20 TRP HE1 1.0 1.979 5.203 166 74 A 4 ARG HB3 A 1 SER HB3 1.0 1.976 5.138 167 74 A 4 ARG HB3 A 1 SER HB2 1.0 1.976 5.138 168 75 A 22 ARG HG2 A 20 TRP HB3 1.0 1.986 5.348 169 75 A 22 ARG HG3 A 20 TRP HB3 1.0 1.986 5.348 170 75 A 22 ARG HG2 A 42 TYR HB3 1.0 1.986 5.348 171 76 A 22 ARG HG2 A 45 CYS HB3 1.0 1.971 5.069 172 76 A 22 ARG HG3 A 45 CYS HB3 1.0 1.971 5.069 173 77 A 22 ARG HG3 A 45 CYS HB2 1.0 1.967 5.003 174 77 A 22 ARG HG2 A 45 CYS HB2 1.0 1.967 5.003 175 78 A 49 ARG HG2 A 48 GLY HA2 1.0 1.989 5.409 176 78 A 49 ARG HG3 A 48 GLY HA2 1.0 1.989 5.409 177 79 A 22 ARG HB3 A 45 CYS HB2 1.0 1.989 5.421 178 79 A 43 ARG HG3 A 45 CYS HB2 1.0 1.989 5.421 179 80 A 28 HIS HB3 A 28 HIS HA 1.0 1.677 3.107 180 80 A 28 HIS HB2 A 28 HIS HA 1.0 1.677 3.107 181 81 A 34 PHE HB2 A 32 ASP HA 1.0 1.971 5.055 182 81 A 46 ARG HD3 A 32 ASP HA 1.0 1.971 5.055 183 82 A 42 TYR HA A 43 ARG HD3 1.0 1.975 5.143 184 82 A 42 TYR HA A 43 ARG HD2 1.0 1.975 5.143 185 83 A 49 ARG HD3 A 47 PRO HA 1.0 1.848 3.944 186 83 A 49 ARG HD2 A 47 PRO HA 1.0 1.848 3.944 187 84 A 2 TYR HB3 A 2 TYR HA 1.0 1.715 3.263 188 84 A 2 TYR HB2 A 2 TYR HA 1.0 1.715 3.263 189 85 A 22 ARG HG2 A 22 ARG HA 1.0 1.923 4.507 190 85 A 22 ARG HG3 A 22 ARG HA 1.0 1.923 4.507 191 86 A 36 ASN HB3 A 43 ARG HA 1.0 1.926 4.534 192 86 A 42 TYR HB3 A 43 ARG HA 1.0 1.926 4.534 193 87 A 43 ARG HD2 A 43 ARG HA 1.0 0.000 6.000 194 87 A 43 ARG HD3 A 43 ARG HA 1.0 0.000 6.000 195 88 A 43 ARG HB2 A 43 ARG HA 1.0 1.666 3.064 196 88 A 43 ARG HB3 A 43 ARG HA 1.0 1.666 3.064 197 89 A 41 SER HA A 41 SER HB3 1.0 1.641 2.969 198 89 A 41 SER HB2 A 41 SER HA 1.0 1.641 2.969 199 90 A 34 PHE HB3 A 34 PHE HA 1.0 1.666 3.064 200 90 A 34 PHE HB2 A 34 PHE HA 1.0 1.666 3.064 201 91 A 6 ARG HA A 6 ARG HD3 1.0 1.974 5.112 202 91 A 6 ARG HA A 6 ARG HD2 1.0 1.974 5.112 203 92 A 49 ARG HG3 A 49 ARG HA 1.0 1.776 3.550 204 92 A 49 ARG HG2 A 49 ARG HA 1.0 1.776 3.550 205 93 A 3 GLN HG3 A 3 GLN HA 1.0 1.830 3.834 206 93 A 3 GLN HG2 A 3 GLN HA 1.0 1.830 3.834 207 94 A 12 HIS HA A 6 ARG HD3 1.0 1.800 3.670 208 94 A 12 HIS HA A 6 ARG HD2 1.0 1.800 3.670 209 95 A 16 ASN HA A 18 ARG HD2 1.0 0.000 6.000 210 95 A 17 ASN HA A 18 ARG HD2 1.0 0.000 6.000 211 96 A 17 ASN HA A 15 ALA HB% 1.0 1.955 4.847 212 96 A 16 ASN HA A 15 ALA HB% 1.0 1.955 4.847 213 97 A 47 PRO HA A 46 ARG H 1.0 1.998 5.790 214 97 A 25 CYS HA A 46 ARG H 1.0 1.998 5.790 215 98 A 16 ASN HA A 18 ARG HE 1.0 1.997 6.335 216 98 A 17 ASN HA A 18 ARG HE 1.0 1.997 6.335 217 99 A 20 TRP HD1 A 13 SER HB2 1.0 1.948 7.332 218 99 A 17 ASN HD21 A 13 SER HB2 1.0 1.948 7.332 219 100 A 6 ARG HE A 1 SER HB2 1.0 2.000 5.934 220 100 A 12 HIS HD2 A 11 SER HB3 1.0 2.000 5.934 221 100 A 12 HIS HD2 A 1 SER HB2 1.0 2.000 5.934 222 100 A 12 HIS HD2 A 1 SER HB3 1.0 2.000 5.934 223 101 A 40 GLY HA3 A 9 HIS HD2 1.0 1.971 6.989 224 101 A 38 VAL H A 40 GLY HA3 1.0 1.971 6.989 225 102 A 1 SER HB3 A 2 TYR H 1.0 1.996 5.630 226 102 A 1 SER HB2 A 2 TYR H 1.0 1.996 5.630 227 103 A 41 SER HB3 A 9 HIS HD2 1.0 1.919 7.685 228 103 A 41 SER HB2 A 9 HIS HD2 1.0 1.919 7.685 229 104 A 18 ARG H A 15 ALA HA 1.0 2.000 5.970 230 104 A 18 ARG H A 47 PRO HD2 1.0 2.000 5.970 231 105 A 47 PRO HD2 A 14 CYS H 1.0 1.989 6.609 232 105 A 15 ALA HA A 14 CYS H 1.0 1.989 6.609 233 106 A 27 SER HB3 A 29 GLU H 1.0 1.998 5.758 234 106 A 27 SER HB2 A 29 GLU H 1.0 1.998 5.758 235 107 A 28 HIS HB2 A 30 TYR HD1 1.0 1.978 6.864 236 107 A 28 HIS HB2 A 30 TYR HD2 1.0 1.978 6.864 237 107 A 28 HIS HB3 A 30 TYR HD1 1.0 1.978 6.864 238 107 A 28 HIS HB3 A 30 TYR HD2 1.0 1.978 6.864 239 108 A 6 ARG HD3 A 4 ARG H 1.0 1.992 6.510 240 108 A 6 ARG HD2 A 4 ARG H 1.0 1.992 6.510 241 109 A 49 ARG HD3 A 49 ARG H 1.0 1.992 5.494 242 109 A 49 ARG HD2 A 49 ARG H 1.0 1.992 5.494 243 110 A 34 PHE HB3 A 33 TRP HD1 1.0 1.989 6.619 244 110 A 34 PHE HB2 A 33 TRP HD1 1.0 1.989 6.619 245 111 A 34 PHE HB2 A 33 TRP HE3 1.0 1.962 7.142 246 111 A 34 PHE HB3 A 33 TRP HE3 1.0 1.962 7.142 247 112 A 26 PHE HE2 A 25 CYS HB2 1.0 1.982 6.794 248 112 A 26 PHE HE1 A 25 CYS HB2 1.0 1.982 6.794 249 112 A 28 HIS HD2 A 25 CYS HB2 1.0 1.982 6.794 250 113 A 2 TYR HB3 A 2 TYR H 1.0 1.997 5.717 251 113 A 2 TYR HB2 A 2 TYR H 1.0 1.997 5.717 252 114 A 2 TYR HB3 A 4 ARG H 1.0 1.992 6.518 253 114 A 2 TYR HB2 A 4 ARG H 1.0 1.992 6.518 254 115 A 2 TYR HB3 A 2 TYR HEx 1.0 1.994 6.448 255 115 A 2 TYR HB3 A 2 TYR HEy 1.0 1.994 6.448 256 115 A 2 TYR HB2 A 2 TYR HEy 1.0 1.994 6.448 257 115 A 2 TYR HB2 A 2 TYR HEx 1.0 1.994 6.448 258 116 A 42 TYR HB3 A 40 GLY H 1.0 1.990 6.554 259 116 A 36 ASN HB3 A 40 GLY H 1.0 1.990 6.554 260 117 A 22 ARG HD2 A 20 TRP HE1 1.0 1.975 6.917 261 117 A 22 ARG HD3 A 20 TRP HE1 1.0 1.975 6.917 262 118 A 43 ARG H A 10 ASP HB2 1.0 0.000 6.000 263 118 A 22 ARG HD2 A 43 ARG H 1.0 0.000 6.000 264 119 A 22 ARG HD2 A 21 CYS H 1.0 1.978 6.874 265 119 A 22 ARG HD3 A 21 CYS H 1.0 1.978 6.874 266 120 A 40 GLY H A 38 VAL HB 1.0 2.000 6.004 267 120 A 40 GLY H A 10 ASP HB2 1.0 2.000 6.004 268 121 A 3 GLN HG2 A 4 ARG H 1.0 2.000 6.064 269 121 A 3 GLN HG3 A 4 ARG H 1.0 2.000 6.064 270 122 A 30 TYR HE2 A 47 PRO HB2 1.0 1.977 6.899 271 122 A 18 ARG HB2 A 30 TYR HE1 1.0 1.977 6.899 272 122 A 30 TYR HE2 A 18 ARG HB2 1.0 1.977 6.899 273 122 A 30 TYR HE1 A 47 PRO HB2 1.0 1.977 6.899 274 123 A 30 TYR HD1 A 47 PRO HB2 1.0 1.918 7.702 275 123 A 30 TYR HD2 A 47 PRO HB2 1.0 1.918 7.702 276 123 A 30 TYR HD1 A 18 ARG HB2 1.0 1.918 7.702 277 123 A 30 TYR HD2 A 18 ARG HB2 1.0 1.918 7.702 278 124 A 22 ARG HG3 A 45 CYS H 1.0 2.000 5.914 279 124 A 22 ARG HG2 A 45 CYS H 1.0 2.000 5.914 280 125 A 22 ARG HG2 A 21 CYS H 1.0 1.951 7.297 281 125 A 22 ARG HG3 A 21 CYS H 1.0 1.951 7.297 282 126 A 22 ARG HG2 A 26 PHE HE1 1.0 1.994 6.460 283 126 A 22 ARG HG3 A 26 PHE HE2 1.0 1.994 6.460 284 126 A 22 ARG HG3 A 26 PHE HE1 1.0 1.994 6.460 285 126 A 22 ARG HG2 A 26 PHE HE2 1.0 1.994 6.460 286 127 A 22 ARG HG2 A 26 PHE HD1 1.0 1.992 6.526 287 127 A 22 ARG HG3 A 26 PHE HD1 1.0 1.992 6.526 288 127 A 22 ARG HG3 A 26 PHE HD2 1.0 1.992 6.526 289 127 A 22 ARG HG2 A 26 PHE HD2 1.0 1.992 6.526 290 128 A 22 ARG HG3 A 42 TYR HE2 1.0 1.950 7.316 291 128 A 22 ARG HG2 A 42 TYR HE1 1.0 1.950 7.316 292 128 A 22 ARG HG2 A 42 TYR HE2 1.0 1.950 7.316 293 128 A 22 ARG HG3 A 42 TYR HE1 1.0 1.950 7.316 294 129 A 22 ARG HG3 A 42 TYR HD1 1.0 1.962 7.132 295 129 A 22 ARG HG3 A 42 TYR HD2 1.0 1.962 7.132 296 129 A 22 ARG HG2 A 42 TYR HD2 1.0 1.962 7.132 297 129 A 22 ARG HG2 A 42 TYR HD1 1.0 1.962 7.132 298 130 A 24 THR H A 22 ARG HG2 1.0 2.000 5.968 299 130 A 24 THR H A 22 ARG HG3 1.0 2.000 5.968 300 131 A 49 ARG HG3 A 49 ARG HE 1.0 1.996 5.638 301 131 A 49 ARG HG2 A 49 ARG HE 1.0 1.996 5.638 302 132 A 26 PHE HE2 A 29 GLU HB3 1.0 1.975 6.909 303 132 A 26 PHE HE1 A 29 GLU HB3 1.0 1.975 6.909 304 132 A 28 HIS HD2 A 29 GLU HB3 1.0 1.975 6.909 305 133 A 29 GLU HB3 A 20 TRP H 1.0 1.962 7.140 306 133 A 29 GLU HB3 A 32 ASP H 1.0 1.962 7.140 307 134 A 43 ARG HB2 A 33 TRP HE1 1.0 1.973 6.949 308 134 A 43 ARG HB3 A 33 TRP HE1 1.0 1.973 6.949 309 135 A 31 THR H A 46 ARG HG2 1.0 1.993 6.467 310 135 A 43 ARG HB3 A 31 THR H 1.0 1.993 6.467 311 136 A 43 ARG HB3 A 33 TRP HE3 1.0 1.999 6.073 312 136 A 43 ARG HB2 A 33 TRP HE3 1.0 1.999 6.073 313 137 A 36 ASN H A 43 ARG HB3 1.0 1.985 6.721 314 137 A 36 ASN H A 46 ARG HG2 1.0 1.985 6.721 315 137 A 33 TRP H A 46 ARG HG2 1.0 1.985 6.721 316 137 A 33 TRP H A 43 ARG HB3 1.0 1.985 6.721 317 138 A 43 ARG HB2 A 33 TRP HH2 1.0 2.000 5.902 318 138 A 43 ARG HB3 A 33 TRP HH2 1.0 2.000 5.902 319 139 A 43 ARG HB3 A 33 TRP HZ3 1.0 1.996 5.618 320 139 A 43 ARG HB2 A 33 TRP HZ3 1.0 1.996 5.618 321 140 A 22 ARG HD3 A 21 CYS HA 1.0 1.937 7.485 322 140 A 22 ARG HD2 A 21 CYS HA 1.0 1.937 7.485 323 141 A 22 ARG HG3 A 21 CYS HA 1.0 1.959 7.189 324 141 A 22 ARG HG2 A 21 CYS HA 1.0 1.959 7.189 325 142 A 33 TRP HD1 A 32 ASP H 1.0 1.923 7.637 326 142 A 20 TRP H A 20 TRP HE3 1.0 1.923 7.637 327 143 A 48 GLY H A 28 HIS HD2 1.0 1.999 6.155 328 143 A 25 CYS H A 26 PHE HE2 1.0 1.999 6.155 329 143 A 25 CYS H A 26 PHE HE1 1.0 1.999 6.155 330 144 A 45 CYS H A 42 TYR HE1 1.0 1.912 7.768 331 144 A 45 CYS H A 42 TYR HE2 1.0 1.912 7.768 332 144 A 42 TYR HE1 A 9 HIS HE1 1.0 1.912 7.768 333 144 A 42 TYR HE2 A 9 HIS HE1 1.0 1.912 7.768 334 145 A 20 TRP H A 21 CYS HA 1.0 2.000 5.922 335 145 A 36 ASN HD21 A 32 ASP H 1.0 2.000 5.922 336 146 A 28 HIS HB3 A 29 GLU HA 1.0 1.995 6.427 337 146 A 28 HIS HB2 A 29 GLU HA 1.0 1.995 6.427 338 147 A 34 PHE H A 35 ASN HD22 1.0 1.999 5.801 339 147 A 19 GLY H A 35 ASN HD22 1.0 1.999 5.801 340 148 A 39 CYS H A 21 CYS HA 1.0 2.000 6.010 341 148 A 42 TYR H A 21 CYS HA 1.0 2.000 6.010 342 149 A 32 ASP H A 46 ARG HB3 1.0 1.999 5.875 343 149 A 20 TRP H A 46 ARG HB3 1.0 1.999 5.875 344 150 A 22 ARG HG3 A 26 PHE H 1.0 1.976 6.900 345 150 A 22 ARG HG2 A 26 PHE H 1.0 1.976 6.900 346 151 A 49 ARG HD3 A 28 HIS HE1 1.0 1.994 6.434 347 151 A 49 ARG HD2 A 28 HIS HE1 1.0 1.994 6.434 348 152 A 49 ARG H A 28 HIS HB3 1.0 2.000 5.890 349 152 A 49 ARG H A 28 HIS HB2 1.0 2.000 5.890 350 153 A 42 TYR H A 41 SER HB3 1.0 1.918 4.464 351 153 A 42 TYR H A 41 SER HB2 1.0 1.918 4.464 352 154 A 43 ARG HG3 A 45 CYS HA 1.0 1.945 7.381 353 154 A 46 ARG HG2 A 45 CYS HA 1.0 1.945 7.381 354 155 A 36 ASN HB3 A 35 ASN HA 1.0 1.980 6.828 355 155 A 44 CYS HB3 A 35 ASN HA 1.0 1.980 6.828 356 156 A 45 CYS HA A 32 ASP HB3 1.0 1.952 7.286 357 156 A 45 CYS HA A 25 CYS HB3 1.0 1.952 7.286 358 157 A 39 CYS HA A 11 SER HA 1.0 2.000 6.110 359 157 A 42 TYR HA A 41 SER HA 1.0 2.000 6.110 360 158 A 13 SER HA A 14 CYS HA 1.0 1.901 4.317 361 158 A 16 ASN HA A 14 CYS HA 1.0 1.901 4.317 362 159 A 24 THR HA A 25 CYS HA 1.0 1.967 4.993 363 159 A 48 GLY HA3 A 47 PRO HA 1.0 1.967 4.993 364 160 A 42 TYR HA A 41 SER HB3 1.0 1.992 6.512 365 160 A 42 TYR HA A 41 SER HB2 1.0 1.992 6.512 366 161 A 22 ARG HA A 21 CYS HB2 1.0 1.991 6.541 367 161 A 21 CYS HB2 A 44 CYS HA 1.0 1.991 6.541 368 162 A 47 PRO HB2 A 46 ARG HA 1.0 1.999 6.203 369 162 A 18 ARG HB2 A 46 ARG HA 1.0 1.999 6.203 370 163 A 11 SER HB2 A 5 ILE HG2% 1.0 1.997 6.325 371 163 A 6 ARG HA A 5 ILE HG2% 1.0 1.997 6.325 372 164 A 13 SER HA A 38 VAL HG2% 1.0 1.996 6.376 373 164 A 12 HIS HA A 38 VAL HG2% 1.0 1.996 6.376 374 165 A 43 ARG HB3 A 36 ASN HA 1.0 2.000 5.952 375 165 A 43 ARG HB2 A 36 ASN HA 1.0 2.000 5.952 376 166 A 5 ILE HA A 6 ARG HG3 1.0 1.998 6.286 377 166 A 4 ARG HG3 A 5 ILE HA 1.0 1.998 6.286 378 167 A 48 GLY HA3 A 49 ARG HG2 1.0 1.767 8.967 379 167 A 48 GLY HA3 A 49 ARG HG3 1.0 1.767 8.967 380 168 A 17 ASN HA A 18 ARG HB2 1.0 1.999 5.759 381 168 A 48 GLY HA2 A 47 PRO HB2 1.0 1.999 5.759 382 169 A 47 PRO HD2 A 46 ARG HD2 1.0 1.996 6.344 383 169 A 15 ALA HA A 46 ARG HD2 1.0 1.996 6.344 384 170 A 43 ARG HD3 A 31 THR HB 1.0 1.995 5.627 385 170 A 43 ARG HD2 A 31 THR HB 1.0 1.995 5.627 386 171 A 34 PHE HB2 A 33 TRP HA 1.0 1.996 5.636 387 171 A 34 PHE HB3 A 33 TRP HA 1.0 1.996 5.636 388 172 A 48 GLY HA3 A 49 ARG HD3 1.0 1.994 5.576 389 172 A 48 GLY HA3 A 49 ARG HD2 1.0 1.994 5.576 390 173 A 27 SER HB3 A 28 HIS HB2 1.0 1.978 5.176 391 173 A 27 SER HB2 A 28 HIS HB2 1.0 1.978 5.176 392 173 A 27 SER HB3 A 28 HIS HB3 1.0 1.978 5.176 393 173 A 27 SER HB2 A 28 HIS HB3 1.0 1.978 5.176 394 174 A 40 GLY HA2 A 41 SER HB3 1.0 1.937 4.635 395 174 A 40 GLY HA2 A 41 SER HB2 1.0 1.937 4.635 396 175 A 22 ARG HG3 A 23 PRO HD2 1.0 1.980 5.206 397 175 A 22 ARG HG2 A 23 PRO HD2 1.0 1.980 5.206 398 176 A 6 ARG HD3 A 6 ARG HG3 1.0 1.735 3.355 399 176 A 6 ARG HD2 A 6 ARG HG3 1.0 1.735 3.355 400 177 A 43 ARG HG3 A 42 TYR HB3 1.0 1.854 3.986 401 177 A 44 CYS HB3 A 46 ARG HG2 1.0 1.854 3.986 402 178 A 36 ASN HB3 A 38 VAL HG1% 1.0 1.981 6.795 403 178 A 44 CYS HB3 A 38 VAL HG1% 1.0 1.981 6.795 404 179 A 39 CYS HB3 A 43 ARG HB2 1.0 2.000 5.900 405 179 A 39 CYS HB3 A 43 ARG HB3 1.0 2.000 5.900 406 179 A 39 CYS HB3 A 43 ARG HG3 1.0 2.000 5.900 407 180 A 49 ARG HG3 A 49 ARG HB3 1.0 1.429 2.295 408 180 A 49 ARG HG2 A 49 ARG HB3 1.0 1.429 2.295 409 181 A 42 TYR H A 44 CYS H 1.0 1.999 6.241 410 181 A 39 CYS H A 44 CYS H 1.0 1.999 6.241 411 182 A 36 ASN H A 32 ASP HB3 1.0 1.956 4.860 412 182 A 33 TRP H A 32 ASP HB3 1.0 1.956 4.860 413 183 A 22 ARG HG3 A 26 PHE HZ 1.0 2.000 5.966 414 183 A 22 ARG HG2 A 26 PHE HZ 1.0 2.000 5.966 415 184 A 16 ASN HA A 3 GLN HB2 1.0 1.915 4.433 416 184 A 13 SER HA A 3 GLN HB2 1.0 1.915 4.433 417 184 A 12 HIS HA A 3 GLN HB2 1.0 1.915 4.433 418 185 A 37 ASP HA A 37 ASP HB2 1.0 1.623 2.905 419 185 A 37 ASP HB3 A 37 ASP HA 1.0 1.623 2.905 420 186 A 22 ARG HD3 A 20 TRP HB3 1.0 1.946 4.742 421 186 A 22 ARG HD2 A 20 TRP HB3 1.0 1.946 4.742 422 187 A 22 ARG HD3 A 20 TRP HB2 1.0 1.926 4.532 423 187 A 22 ARG HD3 A 45 CYS HB3 1.0 1.926 4.532 424 187 A 22 ARG HD2 A 45 CYS HB3 1.0 1.926 4.532 425 188 A 22 ARG HD3 A 20 TRP HB2 1.0 1.922 4.502 426 188 A 22 ARG HD2 A 20 TRP HB2 1.0 1.922 4.502 427 188 A 22 ARG HD2 A 45 CYS HB2 1.0 1.922 4.502 428 189 A 43 ARG HG3 A 23 PRO HB2 1.0 1.991 6.549 429 189 A 22 ARG HB3 A 23 PRO HB2 1.0 1.991 6.549 430 189 A 23 PRO HB2 A 10 ASP HB3 1.0 1.991 6.549 431 190 A 22 ARG H A 21 CYS HA 1.0 1.600 2.822 432 191 A 36 ASN HD21 A 36 ASN HD22 1.0 1.326 2.030 433 192 A 29 GLU HA A 30 TYR H 1.0 1.645 2.987 434 193 A 48 GLY H A 29 GLU HA 1.0 1.698 3.194 435 194 A 36 ASN H A 35 ASN HA 1.0 1.756 3.448 436 195 A 46 ARG H A 45 CYS HA 1.0 1.574 2.734 437 196 A 31 THR H A 30 TYR HA 1.0 1.594 2.802 438 197 A 27 SER H A 26 PHE HA 1.0 1.548 2.648 439 198 A 26 PHE HA A 26 PHE HD1 1.0 1.579 2.751 440 198 A 26 PHE HA A 26 PHE HD2 1.0 1.579 2.751 441 199 A 14 CYS HA A 15 ALA H 1.0 1.627 2.917 442 200 A 14 CYS H A 14 CYS HA 1.0 1.746 3.402 443 201 A 20 TRP H A 19 GLY HA2 1.0 1.638 2.960 444 202 A 19 GLY H A 19 GLY HA2 1.0 1.741 3.379 445 203 A 33 TRP H A 32 ASP HA 1.0 1.545 2.637 446 204 A 32 ASP HA A 30 TYR HE1 1.0 1.738 3.368 447 204 A 32 ASP HA A 30 TYR HE2 1.0 1.738 3.368 448 205 A 39 CYS HA A 12 HIS HE1 1.0 1.671 3.083 449 206 A 42 TYR HA A 43 ARG H 1.0 1.703 3.213 450 207 A 42 TYR HA A 42 TYR HE1 1.0 0.000 6.000 451 207 A 42 TYR HA A 42 TYR HE2 1.0 0.000 6.000 452 208 A 42 TYR HA A 42 TYR HD2 1.0 1.531 2.595 453 208 A 42 TYR HA A 42 TYR HD1 1.0 1.531 2.595 454 209 A 9 HIS H A 8 ASP HA 1.0 1.597 2.811 455 210 A 26 PHE H A 25 CYS HA 1.0 1.602 2.830 456 211 A 48 GLY H A 47 PRO HA 1.0 1.498 2.496 457 212 A 45 CYS H A 44 CYS HA 1.0 1.582 2.760 458 213 A 3 GLN H A 2 TYR HA 1.0 0.000 6.000 459 214 A 21 CYS H A 20 TRP HA 1.0 1.601 2.825 460 215 A 43 ARG HA A 44 CYS H 1.0 1.550 2.654 461 216 A 11 SER HA A 12 HIS H 1.0 1.662 3.050 462 217 A 8 ASP H A 7 SER HA 1.0 0.000 6.000 463 218 A 7 SER HA A 7 SER H 1.0 1.749 3.419 464 219 A 34 PHE H A 34 PHE HA 1.0 1.689 3.155 465 220 A 10 ASP H A 10 ASP HA 1.0 1.752 3.432 466 221 A 12 HIS HD2 A 10 ASP HA 1.0 0.000 6.000 467 222 A 6 ARG HA A 7 SER H 1.0 0.000 6.000 468 223 A 11 SER HB2 A 11 SER H 1.0 1.675 3.099 469 224 A 37 ASP HA A 37 ASP H 1.0 1.606 2.844 470 225 A 49 ARG H A 49 ARG HA 1.0 1.687 3.149 471 226 A 38 VAL H A 38 VAL HA 1.0 1.650 3.002 472 227 A 36 ASN H A 36 ASN HA 1.0 1.707 3.233 473 228 A 3 GLN HA A 4 ARG H 1.0 1.563 2.695 474 229 A 4 ARG HA A 5 ILE H 1.0 1.575 2.739 475 230 A 48 GLY H A 48 GLY HA2 1.0 1.711 3.247 476 231 A 49 ARG H A 48 GLY HA2 1.0 0.000 6.000 477 232 A 16 ASN HA A 16 ASN H 1.0 1.494 2.484 478 233 A 13 SER HA A 14 CYS H 1.0 1.544 2.636 479 234 A 12 HIS HA A 20 TRP HZ2 1.0 1.695 3.183 480 235 A 13 SER HA A 20 TRP HE3 1.0 1.715 3.265 481 236 A 32 ASP H A 31 THR HA 1.0 1.541 2.627 482 237 A 27 SER H A 27 SER HA 1.0 1.677 3.111 483 238 A 6 ARG H A 5 ILE HA 1.0 1.521 2.563 484 239 A 5 ILE HA A 5 ILE H 1.0 1.744 3.394 485 240 A 33 TRP HE3 A 33 TRP HA 1.0 1.693 3.171 486 241 A 33 TRP H A 33 TRP HA 1.0 1.653 3.015 487 242 A 14 CYS H A 13 SER HB3 1.0 1.676 3.104 488 243 A 48 GLY HA3 A 49 ARG H 1.0 0.000 6.000 489 244 A 24 THR HA A 24 THR H 1.0 1.711 3.247 490 245 A 13 SER H A 13 SER HB2 1.0 1.676 3.104 491 246 A 40 GLY HA3 A 40 GLY H 1.0 1.643 2.977 492 247 A 11 SER HB3 A 11 SER H 1.0 1.719 3.281 493 248 A 11 SER HB3 A 42 TYR HE1 1.0 1.692 3.172 494 248 A 11 SER HB3 A 42 TYR HE2 1.0 1.692 3.172 495 249 A 40 GLY HA3 A 41 SER H 1.0 1.578 2.746 496 250 A 15 ALA HA A 15 ALA H 1.0 1.530 2.594 497 251 A 15 ALA HA A 16 ASN H 1.0 1.652 3.014 498 252 A 23 PRO HA A 42 TYR HD2 1.0 1.741 3.379 499 252 A 23 PRO HA A 42 TYR HD1 1.0 1.741 3.379 500 253 A 40 GLY HA2 A 41 SER H 1.0 0.000 6.000 501 254 A 40 GLY HA2 A 40 GLY H 1.0 1.557 2.677 502 255 A 31 THR H A 31 THR HB 1.0 1.656 3.026 503 256 A 27 SER H A 26 PHE HB3 1.0 1.593 2.799 504 257 A 20 TRP H A 19 GLY HA3 1.0 1.678 3.110 505 258 A 19 GLY H A 19 GLY HA3 1.0 1.748 3.416 506 259 A 13 SER H A 12 HIS HB2 1.0 0.000 6.000 507 260 A 12 HIS HD2 A 12 HIS HB2 1.0 1.670 3.082 508 261 A 33 TRP HE3 A 33 TRP HB2 1.0 1.718 3.278 509 262 A 33 TRP H A 33 TRP HB2 1.0 1.758 3.456 510 263 A 33 TRP HD1 A 33 TRP HB2 1.0 0.000 6.000 511 264 A 9 HIS H A 9 HIS HB3 1.0 1.681 3.125 512 265 A 42 TYR H A 42 TYR HB2 1.0 1.693 3.175 513 266 A 42 TYR HD2 A 42 TYR HB2 1.0 1.747 3.405 514 266 A 42 TYR HD1 A 42 TYR HB2 1.0 1.747 3.405 515 267 A 18 ARG HD2 A 18 ARG HE 1.0 1.734 3.350 516 268 A 35 ASN HD21 A 35 ASN HB3 1.0 1.729 3.325 517 269 A 26 PHE H A 25 CYS HB2 1.0 1.716 3.272 518 270 A 9 HIS H A 9 HIS HB2 1.0 1.733 3.343 519 271 A 31 THR H A 30 TYR HB3 1.0 1.693 3.175 520 272 A 30 TYR HD1 A 30 TYR HB3 1.0 1.595 2.805 521 272 A 30 TYR HD2 A 30 TYR HB3 1.0 1.595 2.805 522 273 A 21 CYS H A 21 CYS HB2 1.0 1.732 3.338 523 274 A 21 CYS HB2 A 12 HIS H 1.0 1.764 3.486 524 275 A 13 SER H A 12 HIS HB3 1.0 1.592 2.796 525 276 A 42 TYR HB3 A 43 ARG H 1.0 1.627 2.917 526 277 A 42 TYR HB3 A 42 TYR HD2 1.0 1.727 3.315 527 277 A 42 TYR HB3 A 42 TYR HD1 1.0 1.727 3.315 528 278 A 44 CYS HB3 A 44 CYS H 1.0 0.000 6.000 529 279 A 36 ASN HB2 A 36 ASN HD22 1.0 1.744 3.392 530 280 A 33 TRP HB3 A 33 TRP HD1 1.0 1.628 2.922 531 281 A 9 HIS H A 8 ASP HB2 1.0 1.724 3.306 532 282 A 30 TYR HD1 A 30 TYR HB2 1.0 1.591 2.791 533 282 A 30 TYR HD2 A 30 TYR HB2 1.0 1.591 2.791 534 283 A 39 CYS H A 39 CYS HB2 1.0 1.722 3.292 535 284 A 44 CYS H A 44 CYS HB2 1.0 1.688 3.154 536 285 A 45 CYS HB3 A 45 CYS H 1.0 1.712 3.250 537 286 A 21 CYS HB3 A 42 TYR HD2 1.0 1.763 3.485 538 286 A 21 CYS HB3 A 42 TYR HD1 1.0 1.763 3.485 539 287 A 37 ASP HB2 A 37 ASP H 1.0 1.621 2.895 540 288 A 20 TRP HD1 A 20 TRP HB2 1.0 1.682 3.130 541 289 A 15 ALA H A 14 CYS HB3 1.0 1.687 3.151 542 290 A 8 ASP H A 8 ASP HB3 1.0 1.725 3.309 543 291 A 26 PHE HD1 A 26 PHE HB2 1.0 1.755 3.443 544 291 A 26 PHE HD2 A 26 PHE HB2 1.0 1.755 3.443 545 292 A 26 PHE H A 26 PHE HB2 1.0 1.673 3.089 546 293 A 32 ASP H A 32 ASP HB3 1.0 1.737 3.363 547 294 A 25 CYS H A 25 CYS HB3 1.0 1.600 2.824 548 295 A 12 HIS HE1 A 38 VAL HB 1.0 1.671 3.085 549 296 A 38 VAL H A 38 VAL HB 1.0 0.000 6.000 550 297 A 35 ASN HB2 A 35 ASN HD21 1.0 1.658 3.032 551 298 A 35 ASN HB2 A 35 ASN H 1.0 1.738 3.368 552 299 A 35 ASN HB2 A 35 ASN HD22 1.0 1.758 3.456 553 300 A 26 PHE H A 29 GLU HB2 1.0 1.752 3.430 554 301 A 29 GLU H A 29 GLU HB2 1.0 1.769 3.511 555 302 A 32 ASP H A 32 ASP HB2 1.0 1.763 3.483 556 303 A 24 THR H A 23 PRO HG2 1.0 1.762 3.480 557 304 A 18 ARG H A 18 ARG HB3 1.0 1.704 3.220 558 305 A 5 ILE H A 5 ILE HB 1.0 1.721 3.289 559 306 A 6 ARG H A 6 ARG HB2 1.0 1.743 3.387 560 307 A 46 ARG HB3 A 46 ARG HE 1.0 1.734 3.348 561 308 A 49 ARG H A 49 ARG HB2 1.0 0.000 6.000 562 309 A 29 GLU HB3 A 30 TYR H 1.0 1.721 3.293 563 310 A 43 ARG HB3 A 44 CYS H 1.0 1.700 3.204 564 311 A 43 ARG HG3 A 43 ARG H 1.0 1.649 2.999 565 312 A 10 ASP HB3 A 10 ASP H 1.0 1.693 3.171 566 313 A 43 ARG HE A 43 ARG HG3 1.0 1.763 3.485 567 314 A 15 ALA HB% A 15 ALA H 1.0 1.726 3.314 568 315 A 15 ALA HB% A 35 ASN HD21 1.0 1.757 3.453 569 316 A 15 ALA HB% A 19 GLY H 1.0 1.760 3.466 570 317 A 20 TRP HD1 A 22 ARG HB2 1.0 0.000 6.000 571 318 A 25 CYS H A 24 THR HG2% 1.0 0.000 6.000 572 319 A 12 HIS HE1 A 38 VAL HG2% 1.0 1.585 2.771 573 320 A 38 VAL H A 38 VAL HG2% 1.0 1.615 2.877 574 321 A 38 VAL H A 38 VAL HG1% 1.0 1.641 2.967 575 322 A 9 HIS H A 10 ASP H 1.0 1.747 3.409 576 323 A 42 TYR H A 41 SER H 1.0 1.653 3.017 577 324 A 33 TRP HE1 A 33 TRP HZ2 1.0 1.632 2.936 578 325 A 36 ASN H A 37 ASP H 1.0 1.655 3.023 579 326 A 33 TRP HD1 A 33 TRP HE1 1.0 1.513 2.541 580 327 A 20 TRP HE1 A 20 TRP HE3 1.0 0.000 6.000 581 328 A 38 VAL H A 37 ASP H 1.0 1.682 3.130 582 329 A 35 ASN HD22 A 35 ASN HD21 1.0 1.385 2.179 583 330 A 20 TRP HD1 A 20 TRP HE1 1.0 1.552 2.664 584 331 A 30 TYR HD1 A 30 TYR H 1.0 1.710 3.242 585 331 A 30 TYR HD2 A 30 TYR H 1.0 1.710 3.242 586 332 A 17 ASN H A 16 ASN H 1.0 1.732 3.340 587 333 A 15 ALA H A 16 ASN H 1.0 1.760 3.470 588 334 A 22 ARG H A 43 ARG H 1.0 1.741 3.381 589 335 A 17 ASN H A 18 ARG H 1.0 1.728 3.324 590 336 A 18 ARG H A 19 GLY H 1.0 1.610 2.856 591 337 A 34 PHE H A 35 ASN H 1.0 1.630 2.928 592 338 A 34 PHE H A 33 TRP H 1.0 1.691 3.163 593 339 A 10 ASP H A 11 SER H 1.0 1.701 3.203 594 340 A 39 CYS H A 38 VAL H 1.0 1.666 3.064 595 341 A 33 TRP HE3 A 33 TRP HH2 1.0 0.000 6.000 596 342 A 33 TRP HH2 A 33 TRP HZ2 1.0 1.579 2.751 597 343 A 20 TRP HZ2 A 20 TRP HH2 1.0 1.620 2.894 598 344 A 33 TRP HE3 A 33 TRP HZ3 1.0 1.632 2.936 599 345 A 17 ASN HD21 A 17 ASN HD22 1.0 1.276 1.910 600 346 A 16 ASN HD22 A 16 ASN HD21 1.0 1.249 1.849 601 347 A 3 GLN HE22 A 3 GLN HE21 1.0 1.273 1.903 602 348 A 36 ASN H A 35 ASN H 1.0 1.673 3.093 603 349 A 36 ASN HD22 A 33 TRP HE3 1.0 1.746 3.404 604 350 A 2 TYR HDy A 2 TYR HEy 1.0 1.461 2.387 605 350 A 2 TYR HDy A 2 TYR HEx 1.0 1.461 2.387 606 350 A 2 TYR HDx A 2 TYR HEy 1.0 1.461 2.387 607 350 A 2 TYR HDx A 2 TYR HEx 1.0 1.461 2.387 608 351 A 33 TRP HH2 A 33 TRP HZ3 1.0 1.568 2.712 609 352 A 26 PHE HE2 A 26 PHE HD1 1.0 0.000 6.000 610 352 A 26 PHE HE2 A 26 PHE HD2 1.0 0.000 6.000 611 352 A 26 PHE HE1 A 26 PHE HD1 1.0 0.000 6.000 612 352 A 26 PHE HE1 A 26 PHE HD2 1.0 0.000 6.000 613 353 A 42 TYR HE1 A 42 TYR HD2 1.0 0.000 6.000 614 353 A 42 TYR HE1 A 42 TYR HD1 1.0 0.000 6.000 615 353 A 42 TYR HE2 A 42 TYR HD2 1.0 0.000 6.000 616 353 A 42 TYR HE2 A 42 TYR HD1 1.0 0.000 6.000 617 354 A 30 TYR HD1 A 30 TYR HE1 1.0 1.360 2.114 618 354 A 30 TYR HD1 A 30 TYR HE2 1.0 1.360 2.114 619 354 A 30 TYR HD2 A 30 TYR HE1 1.0 1.360 2.114 620 354 A 30 TYR HD2 A 30 TYR HE2 1.0 1.360 2.114 621 355 A 20 TRP HH2 A 20 TRP HZ3 1.0 1.550 2.654 622 356 A 20 TRP HE3 A 20 TRP HZ3 1.0 0.000 6.000 623 357 A 34 PHE HD2 A 34 PHE HE1 1.0 0.000 6.000 624 357 A 34 PHE HD1 A 34 PHE HE1 1.0 0.000 6.000 625 357 A 34 PHE HD2 A 34 PHE HE2 1.0 0.000 6.000 626 357 A 34 PHE HD1 A 34 PHE HE2 1.0 0.000 6.000 627 358 A 40 GLY HA2 A 40 GLY HA3 1.0 1.625 2.911 628 359 A 12 HIS HA A 12 HIS HB2 1.0 1.615 2.875 629 360 A 33 TRP HA A 33 TRP HB2 1.0 1.801 3.673 630 361 A 9 HIS HA A 9 HIS HB3 1.0 1.717 3.273 631 362 A 36 ASN HB3 A 36 ASN HA 1.0 1.622 2.898 632 363 A 24 THR HA A 43 ARG HD3 1.0 1.741 3.379 633 364 A 33 TRP HB3 A 33 TRP HA 1.0 1.657 3.033 634 365 A 37 ASP HA A 37 ASP HB2 1.0 1.562 2.692 635 366 A 16 ASN HA A 16 ASN HB2 1.0 1.637 2.957 636 367 A 38 VAL HB A 38 VAL HA 1.0 1.569 2.717 637 368 A 23 PRO HA A 23 PRO HB2 1.0 1.632 2.934 638 369 A 4 ARG HA A 3 GLN HB2 1.0 0.000 6.000 639 370 A 6 ARG HA A 6 ARG HB3 1.0 1.709 3.241 640 371 A 3 GLN HB3 A 3 GLN HA 1.0 1.552 2.660 641 372 A 15 ALA HB% A 15 ALA HA 1.0 1.692 3.170 642 373 A 24 THR HA A 24 THR HG2% 1.0 1.686 3.142 643 374 A 24 THR HB A 24 THR HG2% 1.0 1.698 3.194 644 375 A 41 SER HA A 40 GLY HA3 1.0 0.000 6.000 645 376 A 47 PRO HD2 A 47 PRO HD3 1.0 1.504 2.512 646 377 A 24 THR HA A 24 THR HB 1.0 1.634 2.944 647 378 A 18 ARG HD2 A 18 ARG HD3 1.0 1.408 2.240 648 379 A 9 HIS HB3 A 9 HIS HB2 1.0 1.389 2.189 649 380 A 33 TRP HB3 A 33 TRP HB2 1.0 1.463 2.391 650 381 A 23 PRO HD2 A 23 PRO HD3 1.0 1.535 2.607 651 382 A 16 ASN HB3 A 16 ASN HB2 1.0 1.513 2.537 652 383 A 46 ARG HD3 A 46 ARG HD2 1.0 1.610 2.854 653 384 A 30 TYR HB3 A 30 TYR HB2 1.0 1.542 2.628 654 385 A 17 ASN HB3 A 17 ASN HB2 1.0 1.380 2.166 655 386 A 20 TRP HB2 A 20 TRP HB3 1.0 1.512 2.536 656 387 A 22 ARG HD2 A 22 ARG HB2 1.0 1.747 3.407 657 388 A 37 ASP HB3 A 38 VAL HG2% 1.0 1.939 4.657 658 389 A 38 VAL HB A 38 VAL HG1% 1.0 1.650 3.004 659 390 A 46 ARG HB3 A 46 ARG HB2 1.0 1.640 2.968 660 391 A 18 ARG HD2 A 18 ARG HG2 1.0 1.764 3.486 661 392 A 29 GLU HB3 A 29 GLU HB2 1.0 1.725 3.311 662 393 A 22 ARG HB3 A 23 PRO HD2 1.0 1.735 3.349 663 394 A 47 PRO HB3 A 47 PRO HB2 1.0 1.546 2.642 664 395 A 32 ASP HB3 A 32 ASP HB2 1.0 1.599 2.819 665 396 A 18 ARG HB3 A 18 ARG HG2 1.0 1.761 3.475 666 397 A 23 PRO HG2 A 23 PRO HG3 1.0 1.641 2.969 667 398 A 18 ARG HB2 A 18 ARG HB3 1.0 1.555 2.673 668 399 A 33 TRP HE1 A 31 THR HG2% 1.0 1.803 3.687 669 400 A 32 ASP H A 31 THR HG2% 1.0 1.734 3.348 670 401 A 44 CYS H A 31 THR HG2% 1.0 1.805 3.699 671 402 A 31 THR H A 31 THR HG2% 1.0 1.857 4.005 672 403 A 36 ASN HD22 A 31 THR HG2% 1.0 1.844 3.926 673 404 A 33 TRP HZ2 A 31 THR HG2% 1.0 1.825 3.809 674 405 A 33 TRP H A 31 THR HG2% 1.0 0.000 6.000 675 406 A 33 TRP HD1 A 31 THR HG2% 1.0 1.796 3.650 676 407 A 36 ASN HD21 A 31 THR HG2% 1.0 1.787 3.605 677 408 A 31 THR HA A 31 THR HG2% 1.0 1.642 2.972 678 409 A 33 TRP HA A 31 THR HG2% 1.0 1.844 3.920 679 410 A 31 THR HB A 31 THR HG2% 1.0 1.611 2.863 680 411 A 43 ARG HD2 A 31 THR HG2% 1.0 1.754 3.438 681 412 A 43 ARG HG2 A 31 THR HG2% 1.0 1.878 4.144 682 413 A 43 ARG HB3 A 31 THR HG2% 1.0 1.662 3.050 683 414 A 30 TYR HE1 A 32 ASP HB3 1.0 1.901 4.325 684 414 A 30 TYR HE2 A 32 ASP HB3 1.0 1.901 4.325 685 415 A 24 THR H A 23 PRO HD3 1.0 1.865 4.059 686 416 A 42 TYR HE1 A 23 PRO HD3 1.0 1.767 3.501 687 416 A 42 TYR HE2 A 23 PRO HD3 1.0 1.767 3.501 688 417 A 10 ASP HB2 A 10 ASP H 1.0 1.789 3.611 689 418 A 39 CYS H A 38 VAL HB 1.0 1.849 3.955 690 419 A 30 TYR H A 29 GLU HB2 1.0 1.858 4.006 691 420 A 18 ARG H A 18 ARG HB2 1.0 1.803 3.687 692 421 A 18 ARG HB2 A 46 ARG HE 1.0 1.930 4.578 693 422 A 48 GLY H A 47 PRO HB2 1.0 1.880 4.164 694 423 A 42 TYR HE1 A 23 PRO HB2 1.0 1.806 3.700 695 423 A 42 TYR HE2 A 23 PRO HB2 1.0 1.806 3.700 696 424 A 42 TYR HD2 A 23 PRO HB2 1.0 1.870 4.094 697 424 A 42 TYR HD1 A 23 PRO HB2 1.0 1.870 4.094 698 425 A 29 GLU H A 29 GLU HG3 1.0 1.859 4.015 699 426 A 30 TYR HE1 A 32 ASP HB2 1.0 1.803 3.689 700 426 A 30 TYR HE2 A 32 ASP HB2 1.0 1.803 3.689 701 427 A 19 GLY H A 18 ARG HB3 1.0 1.884 4.188 702 428 A 18 ARG HE A 18 ARG HB3 1.0 1.810 3.726 703 429 A 7 SER H A 6 ARG HB3 1.0 1.886 4.202 704 430 A 6 ARG H A 6 ARG HB3 1.0 1.800 3.666 705 431 A 3 GLN HB3 A 3 GLN H 1.0 1.854 3.988 706 432 A 18 ARG H A 18 ARG HG3 1.0 1.776 3.548 707 433 A 18 ARG HE A 18 ARG HG3 1.0 1.806 3.700 708 434 A 24 THR H A 23 PRO HB3 1.0 1.786 3.598 709 435 A 48 GLY H A 29 GLU HG2 1.0 1.898 4.294 710 436 A 4 ARG H A 4 ARG HB2 1.0 1.851 3.963 711 437 A 49 ARG H A 49 ARG HB3 1.0 1.793 3.633 712 438 A 18 ARG H A 18 ARG HG2 1.0 1.837 3.881 713 439 A 18 ARG HE A 18 ARG HG2 1.0 1.888 4.222 714 440 A 46 ARG H A 46 ARG HB3 1.0 1.877 4.143 715 441 A 4 ARG HB3 A 4 ARG H 1.0 1.801 3.679 716 442 A 30 TYR HE1 A 46 ARG HB3 1.0 1.833 3.859 717 442 A 30 TYR HE2 A 46 ARG HB3 1.0 1.833 3.859 718 443 A 42 TYR HE1 A 23 PRO HG3 1.0 1.838 3.886 719 443 A 42 TYR HE2 A 23 PRO HG3 1.0 1.838 3.886 720 444 A 46 ARG H A 29 GLU HB3 1.0 1.903 4.337 721 445 A 26 PHE H A 29 GLU HB3 1.0 1.859 4.019 722 446 A 29 GLU H A 29 GLU HB3 1.0 1.866 4.066 723 447 A 43 ARG HG2 A 43 ARG H 1.0 1.872 4.108 724 448 A 5 ILE H A 5 ILE HG13 1.0 1.878 4.146 725 449 A 43 ARG HE A 43 ARG HG2 1.0 1.873 4.109 726 450 A 24 THR H A 22 ARG HB3 1.0 1.805 3.699 727 451 A 42 TYR HE1 A 10 ASP HB3 1.0 1.836 3.878 728 451 A 42 TYR HE2 A 10 ASP HB3 1.0 1.836 3.878 729 452 A 42 TYR HD2 A 10 ASP HB3 1.0 1.827 3.823 730 452 A 42 TYR HD1 A 10 ASP HB3 1.0 1.827 3.823 731 453 A 46 ARG HG2 A 46 ARG HE 1.0 1.878 4.146 732 454 A 15 ALA HB% A 16 ASN H 1.0 1.869 4.081 733 455 A 18 ARG H A 15 ALA HB% 1.0 1.811 3.733 734 456 A 15 ALA HB% A 18 ARG HE 1.0 1.878 4.144 735 457 A 15 ALA HB% A 35 ASN HD22 1.0 1.790 3.614 736 458 A 22 ARG HB2 A 22 ARG H 1.0 1.793 3.635 737 459 A 22 ARG HE A 22 ARG HB2 1.0 1.875 4.123 738 460 A 24 THR H A 22 ARG HB2 1.0 1.840 3.896 739 461 A 5 ILE H A 5 ILE HG12 1.0 1.856 3.996 740 462 A 24 THR H A 24 THR HG2% 1.0 1.874 4.114 741 463 A 38 VAL HG2% A 15 ALA H 1.0 1.842 3.912 742 464 A 39 CYS H A 38 VAL HG2% 1.0 1.804 3.694 743 465 A 6 ARG H A 5 ILE HG2% 1.0 1.847 3.945 744 466 A 46 ARG H A 46 ARG HB2 1.0 1.766 3.496 745 467 A 46 ARG HE A 46 ARG HB2 1.0 1.854 3.980 746 468 A 30 TYR HD1 A 46 ARG HB2 1.0 1.899 4.305 747 468 A 30 TYR HD2 A 46 ARG HB2 1.0 1.899 4.305 748 469 A 30 TYR HE1 A 46 ARG HB2 1.0 1.807 3.709 749 469 A 30 TYR HE2 A 46 ARG HB2 1.0 1.807 3.709 750 470 A 47 PRO HA A 29 GLU HA 1.0 1.732 3.340 751 471 A 21 CYS HA A 44 CYS HA 1.0 1.786 3.596 752 472 A 36 ASN HD21 A 33 TRP HA 1.0 1.867 4.069 753 473 A 35 ASN HA A 35 ASN HB3 1.0 1.825 3.807 754 474 A 42 TYR HB3 A 21 CYS HA 1.0 1.839 3.887 755 475 A 21 CYS HB3 A 21 CYS HA 1.0 1.806 3.704 756 476 A 35 ASN HB2 A 35 ASN HA 1.0 1.902 4.324 757 477 A 29 GLU HA A 29 GLU HB2 1.0 1.880 4.156 758 478 A 29 GLU HA A 29 GLU HG3 1.0 1.862 4.040 759 479 A 29 GLU HA A 29 GLU HG2 1.0 1.790 3.622 760 480 A 29 GLU HB3 A 29 GLU HA 1.0 1.798 3.662 761 481 A 45 CYS H A 21 CYS HA 1.0 1.809 3.717 762 482 A 21 CYS H A 21 CYS HA 1.0 1.838 3.880 763 483 A 36 ASN HD21 A 33 TRP HE3 1.0 0.000 6.000 764 484 A 36 ASN HD21 A 33 TRP HZ3 1.0 1.897 4.287 765 485 A 29 GLU H A 29 GLU HA 1.0 1.831 3.841 766 486 A 30 TYR HD1 A 29 GLU HA 1.0 1.883 4.181 767 486 A 30 TYR HD2 A 29 GLU HA 1.0 1.883 4.181 768 487 A 35 ASN HA A 35 ASN H 1.0 1.798 3.658 769 488 A 35 ASN HA A 37 ASP H 1.0 1.819 3.777 770 489 A 32 ASP H A 45 CYS HA 1.0 1.887 4.205 771 490 A 45 CYS H A 45 CYS HA 1.0 1.805 3.697 772 491 A 30 TYR H A 30 TYR HA 1.0 1.811 3.731 773 492 A 30 TYR HD1 A 30 TYR HA 1.0 0.000 6.000 774 492 A 30 TYR HD2 A 30 TYR HA 1.0 0.000 6.000 775 493 A 46 ARG H A 46 ARG HA 1.0 1.856 3.996 776 494 A 28 HIS H A 28 HIS HA 1.0 1.821 3.785 777 495 A 29 GLU H A 28 HIS HA 1.0 1.794 3.636 778 496 A 32 ASP HA A 30 TYR HD1 1.0 1.828 3.826 779 496 A 32 ASP HA A 30 TYR HD2 1.0 1.828 3.826 780 497 A 39 CYS HA A 40 GLY H 1.0 1.870 4.088 781 498 A 22 ARG HE A 25 CYS HA 1.0 1.899 4.309 782 499 A 44 CYS HA A 44 CYS H 1.0 1.825 3.807 783 500 A 19 GLY H A 18 ARG HA 1.0 1.856 4.000 784 501 A 18 ARG H A 18 ARG HA 1.0 1.779 3.559 785 502 A 22 ARG H A 22 ARG HA 1.0 1.781 3.569 786 503 A 22 ARG HA A 42 TYR HE1 1.0 1.867 4.067 787 503 A 22 ARG HA A 42 TYR HE2 1.0 1.867 4.067 788 504 A 22 ARG HA A 42 TYR HD2 1.0 1.840 3.896 789 504 A 22 ARG HA A 42 TYR HD1 1.0 1.840 3.896 790 505 A 20 TRP H A 20 TRP HA 1.0 1.832 3.850 791 506 A 14 CYS H A 20 TRP HA 1.0 1.782 3.578 792 507 A 43 ARG HA A 43 ARG H 1.0 1.808 3.714 793 508 A 42 TYR H A 41 SER HA 1.0 1.846 3.936 794 509 A 42 TYR HD2 A 11 SER HA 1.0 1.791 3.621 795 509 A 42 TYR HD1 A 11 SER HA 1.0 1.791 3.621 796 510 A 20 TRP HE1 A 11 SER HA 1.0 1.845 3.925 797 511 A 41 SER HA A 41 SER H 1.0 1.778 3.560 798 512 A 11 SER HA A 11 SER H 1.0 1.790 3.618 799 513 A 42 TYR HE1 A 11 SER HA 1.0 1.790 3.616 800 513 A 42 TYR HE2 A 11 SER HA 1.0 1.790 3.616 801 514 A 34 PHE HA A 35 ASN H 1.0 1.866 4.060 802 515 A 42 TYR HE1 A 11 SER HB2 1.0 1.838 3.890 803 515 A 42 TYR HE2 A 11 SER HB2 1.0 1.838 3.890 804 516 A 9 HIS HA A 10 ASP H 1.0 1.797 3.651 805 517 A 40 GLY H A 38 VAL HA 1.0 1.874 4.114 806 518 A 39 CYS H A 38 VAL HA 1.0 1.777 3.551 807 519 A 36 ASN HA A 44 CYS H 1.0 1.773 3.533 808 520 A 36 ASN HA A 37 ASP H 1.0 1.867 4.071 809 521 A 3 GLN H A 3 GLN HA 1.0 1.832 3.854 810 522 A 48 GLY HA2 A 30 TYR HD1 1.0 1.805 3.697 811 522 A 48 GLY HA2 A 30 TYR HD2 1.0 1.805 3.697 812 523 A 48 GLY HA2 A 30 TYR HE1 1.0 1.861 4.027 813 523 A 48 GLY HA2 A 30 TYR HE2 1.0 1.861 4.027 814 524 A 13 SER HA A 21 CYS H 1.0 1.803 3.687 815 525 A 13 SER HA A 20 TRP HZ3 1.0 1.809 3.719 816 526 A 12 HIS HA A 20 TRP HH2 1.0 1.847 3.941 817 527 A 12 HIS HA A 12 HIS H 1.0 1.856 3.996 818 528 A 27 SER HA A 28 HIS H 1.0 1.829 3.831 819 529 A 34 PHE H A 33 TRP HA 1.0 1.836 3.868 820 530 A 36 ASN HD22 A 33 TRP HA 1.0 1.831 3.841 821 531 A 33 TRP HD1 A 33 TRP HA 1.0 1.877 4.139 822 532 A 48 GLY HA3 A 30 TYR HD1 1.0 1.795 3.645 823 532 A 48 GLY HA3 A 30 TYR HD2 1.0 1.795 3.645 824 533 A 48 GLY HA3 A 30 TYR HE1 1.0 0.000 6.000 825 533 A 48 GLY HA3 A 30 TYR HE2 1.0 0.000 6.000 826 534 A 13 SER HB2 A 20 TRP HZ2 1.0 0.000 6.000 827 535 A 13 SER HB2 A 20 TRP HH2 1.0 0.000 6.000 828 536 A 11 SER HB3 A 42 TYR HD2 1.0 1.835 3.863 829 536 A 11 SER HB3 A 42 TYR HD1 1.0 1.835 3.863 830 537 A 42 TYR H A 40 GLY HA3 1.0 1.819 3.779 831 538 A 8 ASP H A 7 SER HB2 1.0 1.876 4.132 832 539 A 15 ALA HA A 35 ASN HD22 1.0 1.876 4.134 833 540 A 7 SER H A 7 SER HB3 1.0 1.795 3.647 834 541 A 23 PRO HA A 42 TYR HE1 1.0 1.800 3.674 835 541 A 23 PRO HA A 42 TYR HE2 1.0 1.800 3.674 836 542 A 25 CYS H A 24 THR HB 1.0 0.000 6.000 837 543 A 15 ALA H A 14 CYS HB2 1.0 1.788 3.604 838 544 A 14 CYS H A 14 CYS HB2 1.0 1.903 4.341 839 545 A 33 TRP HE1 A 31 THR HB 1.0 1.759 3.461 840 546 A 33 TRP HD1 A 31 THR HB 1.0 1.888 4.220 841 547 A 26 PHE HD1 A 26 PHE HB3 1.0 1.787 3.599 842 547 A 26 PHE HD2 A 26 PHE HB3 1.0 1.787 3.599 843 548 A 34 PHE H A 33 TRP HB2 1.0 1.889 4.225 844 549 A 18 ARG HE A 18 ARG HD3 1.0 1.862 4.040 845 550 A 10 ASP H A 9 HIS HB3 1.0 1.881 4.167 846 551 A 9 HIS HD2 A 9 HIS HB3 1.0 1.889 4.227 847 552 A 42 TYR HE1 A 42 TYR HB2 1.0 0.000 6.000 848 552 A 42 TYR HE2 A 42 TYR HB2 1.0 0.000 6.000 849 553 A 17 ASN H A 17 ASN HB3 1.0 1.888 4.224 850 554 A 15 ALA H A 35 ASN HB3 1.0 1.857 3.999 851 555 A 17 ASN HB3 A 17 ASN HD22 1.0 1.898 4.294 852 556 A 26 PHE HD1 A 25 CYS HB2 1.0 0.000 6.000 853 556 A 26 PHE HD2 A 25 CYS HB2 1.0 0.000 6.000 854 557 A 25 CYS H A 25 CYS HB2 1.0 1.778 3.554 855 558 A 10 ASP H A 9 HIS HB2 1.0 1.835 3.865 856 559 A 9 HIS HD2 A 9 HIS HB2 1.0 1.897 4.287 857 560 A 46 ARG HD3 A 46 ARG HE 1.0 1.776 3.544 858 561 A 46 ARG HD3 A 30 TYR HE1 1.0 1.883 4.181 859 561 A 46 ARG HD3 A 30 TYR HE2 1.0 1.883 4.181 860 562 A 30 TYR HE1 A 30 TYR HB3 1.0 0.000 6.000 861 562 A 30 TYR HE2 A 30 TYR HB3 1.0 0.000 6.000 862 563 A 42 TYR HD2 A 21 CYS HB2 1.0 1.843 3.913 863 563 A 42 TYR HD1 A 21 CYS HB2 1.0 1.843 3.913 864 564 A 16 ASN HB3 A 16 ASN H 1.0 0.000 6.000 865 565 A 16 ASN HB3 A 16 ASN HD22 1.0 1.890 4.236 866 566 A 12 HIS HB3 A 12 HIS HD2 1.0 0.000 6.000 867 567 A 17 ASN H A 17 ASN HB2 1.0 1.842 3.906 868 568 A 17 ASN HD22 A 17 ASN HB2 1.0 1.772 3.530 869 569 A 17 ASN HD21 A 17 ASN HB2 1.0 1.867 4.071 870 570 A 22 ARG H A 42 TYR HB3 1.0 1.802 3.680 871 571 A 20 TRP HB3 A 20 TRP H 1.0 1.789 3.611 872 572 A 36 ASN HB3 A 37 ASP H 1.0 1.827 3.821 873 573 A 42 TYR H A 42 TYR HB3 1.0 1.786 3.598 874 574 A 20 TRP HD1 A 20 TRP HB3 1.0 0.000 6.000 875 575 A 42 TYR HB3 A 42 TYR HE1 1.0 0.000 6.000 876 575 A 42 TYR HB3 A 42 TYR HE2 1.0 0.000 6.000 877 576 A 25 CYS H A 43 ARG HD3 1.0 1.816 3.758 878 577 A 34 PHE H A 33 TRP HB3 1.0 1.785 3.591 879 578 A 36 ASN HB2 A 33 TRP HE3 1.0 1.775 3.543 880 579 A 46 ARG HD2 A 46 ARG HE 1.0 1.797 3.659 881 580 A 30 TYR HE1 A 30 TYR HB2 1.0 0.000 6.000 882 580 A 30 TYR HE2 A 30 TYR HB2 1.0 0.000 6.000 883 581 A 30 TYR H A 30 TYR HB2 1.0 1.866 4.068 884 582 A 31 THR H A 30 TYR HB2 1.0 0.000 6.000 885 583 A 21 CYS HB3 A 42 TYR HE1 1.0 0.000 6.000 886 583 A 21 CYS HB3 A 42 TYR HE2 1.0 0.000 6.000 887 584 A 21 CYS HB3 A 12 HIS H 1.0 1.902 4.326 888 585 A 21 CYS HB3 A 21 CYS H 1.0 1.819 3.779 889 586 A 20 TRP HB2 A 20 TRP H 1.0 1.800 3.666 890 587 A 37 ASP HB3 A 38 VAL H 1.0 1.865 4.055 891 588 A 16 ASN H A 14 CYS HB3 1.0 0.000 6.000 892 589 A 45 CYS HB2 A 46 ARG H 1.0 1.902 4.322 893 590 A 16 ASN H A 16 ASN HB2 1.0 1.810 3.724 894 591 A 24 THR H A 23 PRO HD2 1.0 1.786 3.598 895 592 A 10 ASP HB2 A 10 ASP HA 1.0 1.829 3.831 896 593 A 47 PRO HG3 A 47 PRO HD3 1.0 1.814 3.746 897 594 A 47 PRO HG3 A 47 PRO HD2 1.0 1.778 3.558 898 595 A 47 PRO HD3 A 47 PRO HG2 1.0 1.784 3.586 899 596 A 47 PRO HD2 A 47 PRO HG2 1.0 1.846 3.932 900 597 A 18 ARG HB2 A 18 ARG HD3 1.0 1.895 4.269 901 598 A 18 ARG HD2 A 18 ARG HB2 1.0 1.897 4.289 902 599 A 46 ARG HD3 A 32 ASP HB2 1.0 1.898 4.292 903 600 A 23 PRO HG2 A 23 PRO HD2 1.0 1.787 3.601 904 601 A 23 PRO HA A 23 PRO HB3 1.0 1.857 4.005 905 602 A 18 ARG HD3 A 18 ARG HG3 1.0 1.814 3.746 906 603 A 18 ARG HD2 A 18 ARG HG3 1.0 1.820 3.780 907 604 A 5 ILE HA A 5 ILE HB 1.0 1.815 3.753 908 605 A 18 ARG HD3 A 18 ARG HG2 1.0 1.793 3.633 909 606 A 46 ARG HB3 A 47 PRO HD3 1.0 1.895 4.275 910 607 A 47 PRO HD2 A 46 ARG HB3 1.0 1.846 3.936 911 608 A 23 PRO HD2 A 23 PRO HG3 1.0 1.828 3.822 912 609 A 10 ASP HB3 A 10 ASP HA 1.0 1.897 4.289 913 610 A 46 ARG HG2 A 19 GLY HA3 1.0 1.870 4.088 914 611 A 46 ARG HD3 A 46 ARG HG2 1.0 1.828 3.830 915 612 A 18 ARG HD2 A 15 ALA HB% 1.0 1.817 3.759 916 613 A 22 ARG HB2 A 23 PRO HD2 1.0 1.858 4.010 917 614 A 5 ILE HA A 5 ILE HG12 1.0 1.895 4.269 918 615 A 46 ARG HG2 A 46 ARG HB2 1.0 1.855 3.991 919 616 A 5 ILE HG2% A 5 ILE HB 1.0 1.813 3.743 920 617 A 5 ILE HG12 A 5 ILE HD1% 1.0 1.785 3.591 921 618 A 46 ARG HD2 A 46 ARG HB2 1.0 1.895 4.273 922 619 A 23 PRO HD3 A 23 PRO HG3 1.0 1.810 3.724 923 620 A 45 CYS HB3 A 29 GLU HB3 1.0 1.885 4.195 924 621 A 29 GLU HB3 A 25 CYS HB3 1.0 0.000 6.000 925 622 A 46 ARG HG2 A 44 CYS HB2 1.0 1.955 4.853 926 623 A 15 ALA HB% A 46 ARG HD2 1.0 1.785 3.591 927 624 A 22 ARG HB2 A 45 CYS HB3 1.0 1.888 4.218 928 625 A 22 ARG HB2 A 45 CYS HB2 1.0 1.873 4.107 929 626 A 22 ARG HB2 A 22 ARG HB3 1.0 1.645 2.985 930 627 A 46 ARG HD2 A 32 ASP HB2 1.0 1.844 3.920 931 628 A 47 PRO HB3 A 47 PRO HG3 1.0 1.747 3.409 932 629 A 47 PRO HB3 A 47 PRO HG2 1.0 1.858 4.008 933 630 A 23 PRO HG2 A 23 PRO HB2 1.0 1.685 3.139 934 631 A 23 PRO HB2 A 23 PRO HB3 1.0 1.532 2.596 935 632 A 29 GLU HB2 A 29 GLU HG2 1.0 1.885 4.195 936 633 A 18 ARG HB2 A 18 ARG HG2 1.0 1.765 3.497 937 634 A 23 PRO HB2 A 23 PRO HG3 1.0 1.738 3.368 938 635 A 47 PRO HG3 A 47 PRO HB2 1.0 1.733 3.343 939 636 A 29 GLU HB2 A 29 GLU HG3 1.0 1.900 4.318 940 637 A 23 PRO HG2 A 23 PRO HD3 1.0 1.833 3.853 941 638 A 46 ARG H A 30 TYR H 1.0 1.787 3.601 942 639 A 45 CYS H A 20 TRP H 1.0 1.822 3.788 943 640 A 28 HIS H A 29 GLU H 1.0 1.888 4.222 944 641 A 13 SER H A 20 TRP HH2 1.0 1.904 4.344 945 642 A 36 ASN HD22 A 33 TRP HZ3 1.0 1.870 4.090 946 643 A 22 ARG HE A 26 PHE HD1 1.0 1.903 4.335 947 643 A 22 ARG HE A 26 PHE HD2 1.0 1.903 4.335 948 644 A 26 PHE H A 26 PHE HD1 1.0 1.811 3.727 949 644 A 26 PHE H A 26 PHE HD2 1.0 1.811 3.727 950 645 A 30 TYR HD1 A 31 THR H 1.0 1.835 3.867 951 645 A 30 TYR HD2 A 31 THR H 1.0 1.835 3.867 952 646 A 21 CYS H A 12 HIS H 1.0 1.851 3.961 953 647 A 43 ARG H A 42 TYR HD2 1.0 1.852 3.972 954 647 A 43 ARG H A 42 TYR HD1 1.0 1.852 3.972 955 648 A 42 TYR H A 42 TYR HD2 1.0 1.836 3.876 956 648 A 42 TYR H A 42 TYR HD1 1.0 1.836 3.876 957 649 A 19 GLY H A 14 CYS H 1.0 1.816 3.760 958 650 A 43 ARG HE A 42 TYR HE1 1.0 0.000 6.000 959 650 A 43 ARG HE A 42 TYR HE2 1.0 0.000 6.000 960 651 A 36 ASN HD21 A 44 CYS H 1.0 1.953 4.817 961 652 A 35 ASN HA A 35 ASN HD21 1.0 1.953 4.821 962 653 A 20 TRP H A 46 ARG HA 1.0 1.944 4.718 963 654 A 46 ARG HA A 46 ARG HE 1.0 1.946 4.748 964 655 A 14 CYS HA A 16 ASN H 1.0 1.916 4.448 965 656 A 28 HIS HD2 A 28 HIS HA 1.0 1.951 4.799 966 657 A 32 ASP HA A 33 TRP HD1 1.0 1.909 4.385 967 658 A 8 ASP HA A 10 ASP H 1.0 1.929 4.559 968 659 A 47 PRO HA A 30 TYR H 1.0 1.920 4.474 969 660 A 2 TYR HDy A 2 TYR HA 1.0 1.920 4.478 970 660 A 2 TYR HDx A 2 TYR HA 1.0 1.920 4.478 971 661 A 20 TRP HD1 A 22 ARG HA 1.0 1.907 4.367 972 662 A 20 TRP HD1 A 11 SER HA 1.0 1.947 4.757 973 663 A 36 ASN H A 34 PHE HA 1.0 1.923 4.507 974 664 A 20 TRP HE1 A 11 SER HB2 1.0 1.908 4.376 975 665 A 42 TYR HD2 A 11 SER HB2 1.0 1.937 4.639 976 665 A 42 TYR HD1 A 11 SER HB2 1.0 1.937 4.639 977 666 A 12 HIS HE1 A 38 VAL HA 1.0 1.936 4.628 978 667 A 12 HIS HA A 20 TRP HE1 1.0 1.944 4.724 979 668 A 17 ASN HA A 17 ASN HD21 1.0 1.950 4.780 980 669 A 46 ARG H A 31 THR HA 1.0 1.922 4.500 981 670 A 27 SER HA A 29 GLU H 1.0 1.906 4.362 982 671 A 17 ASN H A 13 SER HB3 1.0 1.923 4.505 983 672 A 13 SER HB2 A 20 TRP HZ3 1.0 1.944 4.722 984 673 A 20 TRP HE1 A 11 SER HB3 1.0 1.932 4.598 985 674 A 15 ALA HA A 35 ASN HD21 1.0 1.914 4.430 986 675 A 47 PRO HD2 A 46 ARG HE 1.0 1.923 4.515 987 676 A 23 PRO HA A 43 ARG H 1.0 1.907 4.369 988 677 A 19 GLY H A 14 CYS HB2 1.0 0.000 6.000 989 678 A 31 THR HB A 33 TRP HZ2 1.0 1.934 4.614 990 679 A 42 TYR HE1 A 23 PRO HD2 1.0 1.918 4.464 991 679 A 42 TYR HE2 A 23 PRO HD2 1.0 1.918 4.464 992 680 A 22 ARG H A 42 TYR HB2 1.0 1.919 4.479 993 681 A 18 ARG H A 18 ARG HD2 1.0 1.928 4.554 994 682 A 29 GLU H A 25 CYS HB2 1.0 1.941 4.681 995 683 A 30 TYR H A 30 TYR HB3 1.0 1.916 4.448 996 684 A 42 TYR HE1 A 21 CYS HB2 1.0 1.928 4.558 997 684 A 42 TYR HE2 A 21 CYS HB2 1.0 1.928 4.558 998 685 A 16 ASN HB3 A 18 ARG HE 1.0 1.949 4.777 999 686 A 16 ASN HB3 A 16 ASN HD21 1.0 1.952 4.806 1000 687 A 20 TRP HB3 A 21 CYS H 1.0 1.937 4.637 1001 688 A 36 ASN HB2 A 33 TRP HZ3 1.0 1.953 4.825 1002 689 A 14 CYS H A 14 CYS HB3 1.0 1.926 4.536 1003 690 A 17 ASN H A 16 ASN HB2 1.0 1.953 4.815 1004 691 A 16 ASN HD22 A 16 ASN HB2 1.0 1.949 4.763 1005 692 A 18 ARG HE A 16 ASN HB2 1.0 1.914 4.422 1006 693 A 39 CYS HB3 A 40 GLY H 1.0 1.945 4.727 1007 694 A 28 HIS HD2 A 26 PHE HB2 1.0 1.934 4.618 1008 695 A 10 ASP HB2 A 11 SER H 1.0 1.953 4.811 1009 696 A 12 HIS HD2 A 10 ASP HB2 1.0 1.935 4.627 1010 697 A 35 ASN HB2 A 15 ALA H 1.0 1.946 4.738 1011 698 A 36 ASN H A 35 ASN HB2 1.0 1.948 4.770 1012 699 A 19 GLY H A 18 ARG HB2 1.0 1.942 4.688 1013 700 A 24 THR H A 23 PRO HB2 1.0 1.924 4.516 1014 701 A 26 PHE H A 29 GLU HG3 1.0 1.912 4.414 1015 702 A 33 TRP H A 32 ASP HB2 1.0 1.940 4.668 1016 703 A 30 TYR HD1 A 32 ASP HB2 1.0 1.923 4.503 1017 703 A 30 TYR HD2 A 32 ASP HB2 1.0 1.923 4.503 1018 704 A 3 GLN HB2 A 3 GLN H 1.0 1.931 4.583 1019 705 A 18 ARG HB3 A 46 ARG HE 1.0 1.925 4.527 1020 706 A 42 TYR HE1 A 23 PRO HB3 1.0 1.927 4.543 1021 706 A 42 TYR HE2 A 23 PRO HB3 1.0 1.927 4.543 1022 707 A 30 TYR H A 29 GLU HG2 1.0 1.941 4.683 1023 708 A 29 GLU H A 29 GLU HG2 1.0 1.934 4.618 1024 709 A 6 ARG HB2 A 7 SER H 1.0 1.919 4.471 1025 710 A 19 GLY H A 46 ARG HB3 1.0 0.000 6.000 1026 711 A 30 TYR HD1 A 46 ARG HB3 1.0 1.943 4.709 1027 711 A 30 TYR HD2 A 46 ARG HB3 1.0 1.943 4.709 1028 712 A 6 ARG H A 6 ARG HG2 1.0 1.909 4.391 1029 713 A 6 ARG H A 6 ARG HG3 1.0 1.922 4.504 1030 714 A 42 TYR HD2 A 23 PRO HG3 1.0 1.932 4.596 1031 714 A 42 TYR HD1 A 23 PRO HG3 1.0 1.932 4.596 1032 715 A 24 THR H A 23 PRO HG3 1.0 1.921 4.485 1033 716 A 30 TYR HD1 A 29 GLU HB3 1.0 1.937 4.643 1034 716 A 30 TYR HD2 A 29 GLU HB3 1.0 1.937 4.643 1035 717 A 20 TRP HD1 A 22 ARG HB3 1.0 1.935 4.623 1036 718 A 32 ASP H A 46 ARG HG2 1.0 1.934 4.606 1037 719 A 42 TYR H A 10 ASP HB3 1.0 1.948 4.764 1038 720 A 10 ASP HB3 A 11 SER H 1.0 1.944 4.722 1039 721 A 46 ARG H A 46 ARG HG2 1.0 1.909 4.385 1040 722 A 30 TYR HE1 A 46 ARG HG2 1.0 1.935 4.619 1041 722 A 30 TYR HE2 A 46 ARG HG2 1.0 1.935 4.619 1042 723 A 46 ARG H A 46 ARG HG3 1.0 1.936 4.634 1043 724 A 22 ARG HB2 A 45 CYS H 1.0 1.952 4.814 1044 725 A 38 VAL HG2% A 37 ASP H 1.0 1.942 4.688 1045 726 A 38 VAL HG1% A 37 ASP H 1.0 1.933 4.605 1046 727 A 5 ILE HG2% A 5 ILE H 1.0 1.908 4.376 1047 728 A 33 TRP HH2 A 31 THR HG2% 1.0 1.928 4.558 1048 729 A 33 TRP HZ3 A 31 THR HG2% 1.0 1.928 4.562 1049 730 A 43 ARG HE A 31 THR HG2% 1.0 0.000 6.000 1050 731 A 31 THR HB A 31 THR HA 1.0 1.847 3.939 1051 732 A 11 SER HB2 A 8 ASP HB2 1.0 1.947 4.747 1052 733 A 9 HIS HA A 8 ASP HB2 1.0 1.931 4.579 1053 734 A 13 SER HA A 20 TRP HB2 1.0 0.000 6.000 1054 735 A 15 ALA HA A 35 ASN HB3 1.0 0.000 6.000 1055 736 A 23 PRO HA A 43 ARG HD3 1.0 1.941 4.681 1056 737 A 11 SER HB3 A 8 ASP HB2 1.0 1.908 4.374 1057 738 A 15 ALA HA A 14 CYS HB3 1.0 1.949 4.773 1058 739 A 32 ASP HB3 A 31 THR HA 1.0 1.946 4.740 1059 740 A 24 THR HA A 25 CYS HB3 1.0 1.936 4.632 1060 741 A 47 PRO HB3 A 47 PRO HD3 1.0 1.910 4.390 1061 742 A 23 PRO HA A 23 PRO HD3 1.0 1.939 4.661 1062 743 A 47 PRO HB2 A 47 PRO HD3 1.0 1.937 4.641 1063 744 A 18 ARG HB3 A 18 ARG HD3 1.0 1.926 4.532 1064 745 A 18 ARG HD2 A 18 ARG HB3 1.0 1.915 4.435 1065 746 A 23 PRO HD2 A 23 PRO HB3 1.0 1.944 4.712 1066 747 A 6 ARG HA A 4 ARG HB3 1.0 0.000 6.000 1067 748 A 23 PRO HA A 23 PRO HG3 1.0 1.915 4.439 1068 749 A 5 ILE HA A 5 ILE HG13 1.0 1.942 4.702 1069 750 A 43 ARG HB3 A 31 THR HA 1.0 1.945 4.733 1070 751 A 5 ILE HB A 5 ILE HG13 1.0 1.917 4.453 1071 752 A 46 ARG HG2 A 32 ASP HB3 1.0 1.931 4.587 1072 753 A 46 ARG HG2 A 46 ARG HB3 1.0 1.828 3.824 1073 754 A 46 ARG HB3 A 46 ARG HG3 1.0 1.885 4.199 1074 755 A 15 ALA HB% A 35 ASN HB2 1.0 1.864 4.048 1075 756 A 15 ALA HB% A 18 ARG HB2 1.0 1.879 4.157 1076 757 A 15 ALA HB% A 18 ARG HB3 1.0 1.844 3.920 1077 758 A 5 ILE HB A 5 ILE HG12 1.0 1.929 4.571 1078 759 A 47 PRO HD2 A 46 ARG HB2 1.0 1.955 4.835 1079 760 A 46 ARG HD3 A 46 ARG HB2 1.0 1.949 4.773 1080 761 A 46 ARG HB2 A 46 ARG HG3 1.0 1.913 4.423 1081 762 A 42 TYR H A 43 ARG H 1.0 1.954 4.826 1082 763 A 39 CYS H A 37 ASP H 1.0 1.947 4.743 1083 764 A 26 PHE H A 29 GLU H 1.0 1.943 4.701 1084 765 A 35 ASN HD21 A 35 ASN H 1.0 1.907 4.365 1085 766 A 33 TRP H A 32 ASP H 1.0 1.952 4.810 1086 767 A 48 GLY H A 30 TYR HD1 1.0 1.942 4.696 1087 767 A 48 GLY H A 30 TYR HD2 1.0 1.942 4.696 1088 768 A 20 TRP HE1 A 12 HIS H 1.0 1.936 4.628 1089 769 A 22 ARG H A 42 TYR HD2 1.0 1.947 4.747 1090 769 A 22 ARG H A 42 TYR HD1 1.0 1.947 4.747 1091 770 A 19 GLY H A 20 TRP H 1.0 1.949 4.775 1092 771 A 27 SER H A 28 HIS H 1.0 1.922 4.498 1093 772 A 48 GLY H A 49 ARG H 1.0 1.899 4.299 1094 773 A 20 TRP HD1 A 21 CYS H 1.0 1.916 4.446 1095 774 A 20 TRP HE3 A 20 TRP HH2 1.0 0.000 6.000 1096 775 A 42 TYR HD2 A 21 CYS HA 1.0 1.960 4.904 1097 775 A 42 TYR HD1 A 21 CYS HA 1.0 1.960 4.904 1098 776 A 46 ARG H A 29 GLU HA 1.0 1.988 5.384 1099 777 A 38 VAL H A 35 ASN HA 1.0 1.985 5.317 1100 778 A 35 ASN HD22 A 35 ASN HA 1.0 1.986 5.346 1101 779 A 30 TYR HE1 A 30 TYR HA 1.0 0.000 6.000 1102 779 A 30 TYR HE2 A 30 TYR HA 1.0 0.000 6.000 1103 780 A 17 ASN H A 14 CYS HA 1.0 1.967 5.001 1104 781 A 42 TYR HA A 22 ARG H 1.0 1.977 5.167 1105 782 A 26 PHE HD1 A 25 CYS HA 1.0 1.982 5.254 1106 782 A 26 PHE HD2 A 25 CYS HA 1.0 1.982 5.254 1107 783 A 47 PRO HA A 30 TYR HD1 1.0 1.977 5.169 1108 783 A 47 PRO HA A 30 TYR HD2 1.0 1.977 5.169 1109 784 A 20 TRP H A 44 CYS HA 1.0 1.969 5.031 1110 785 A 18 ARG HE A 18 ARG HA 1.0 1.979 5.197 1111 786 A 24 THR H A 22 ARG HA 1.0 1.958 4.894 1112 787 A 13 SER H A 20 TRP HA 1.0 1.974 5.114 1113 788 A 36 ASN HD22 A 43 ARG HA 1.0 1.973 5.095 1114 789 A 11 SER HB2 A 12 HIS H 1.0 1.966 4.982 1115 790 A 49 ARG HA A 30 TYR HE1 1.0 1.978 5.182 1116 790 A 49 ARG HA A 30 TYR HE2 1.0 1.978 5.182 1117 791 A 36 ASN HD22 A 36 ASN HA 1.0 1.983 5.291 1118 792 A 16 ASN HA A 15 ALA H 1.0 1.971 5.053 1119 793 A 16 ASN HA A 16 ASN HD22 1.0 1.975 5.131 1120 794 A 33 TRP HA A 35 ASN H 1.0 1.974 5.126 1121 795 A 33 TRP HZ3 A 33 TRP HA 1.0 1.973 5.093 1122 796 A 46 ARG HE A 47 PRO HD3 1.0 1.989 5.395 1123 797 A 24 THR HA A 43 ARG HE 1.0 1.978 5.174 1124 798 A 11 SER HB3 A 12 HIS H 1.0 1.971 5.069 1125 799 A 17 ASN H A 15 ALA HA 1.0 1.990 5.440 1126 800 A 47 PRO HD2 A 30 TYR HE1 1.0 1.991 5.465 1127 800 A 47 PRO HD2 A 30 TYR HE2 1.0 1.991 5.465 1128 801 A 32 ASP H A 31 THR HB 1.0 1.968 5.012 1129 802 A 30 TYR HD1 A 31 THR HB 1.0 1.988 5.392 1130 802 A 30 TYR HD2 A 31 THR HB 1.0 1.988 5.392 1131 803 A 42 TYR HD2 A 23 PRO HD2 1.0 1.962 4.942 1132 803 A 42 TYR HD1 A 23 PRO HD2 1.0 1.962 4.942 1133 804 A 14 CYS H A 19 GLY HA3 1.0 1.970 5.052 1134 805 A 12 HIS H A 12 HIS HB2 1.0 1.963 4.941 1135 806 A 36 ASN HD22 A 33 TRP HB2 1.0 1.987 5.377 1136 807 A 41 SER H A 42 TYR HB2 1.0 1.974 5.110 1137 808 A 17 ASN HB3 A 17 ASN HD21 1.0 1.964 4.972 1138 809 A 18 ARG HD2 A 16 ASN H 1.0 1.979 5.207 1139 810 A 37 ASP H A 35 ASN HB3 1.0 1.984 5.308 1140 811 A 25 CYS HB2 A 30 TYR H 1.0 1.963 4.955 1141 812 A 46 ARG HD3 A 32 ASP H 1.0 1.989 5.395 1142 813 A 46 ARG HD3 A 46 ARG H 1.0 1.986 5.360 1143 814 A 22 ARG H A 21 CYS HB2 1.0 1.970 5.050 1144 815 A 12 HIS HB3 A 12 HIS HE1 1.0 1.989 5.415 1145 816 A 12 HIS HB3 A 20 TRP HE3 1.0 0.000 6.000 1146 817 A 36 ASN HB3 A 33 TRP HH2 1.0 0.000 6.000 1147 818 A 43 ARG HD2 A 33 TRP HH2 1.0 1.966 4.984 1148 819 A 33 TRP HB3 A 33 TRP HE1 1.0 1.967 5.003 1149 820 A 36 ASN HB2 A 35 ASN H 1.0 1.963 4.945 1150 821 A 46 ARG H A 46 ARG HD2 1.0 1.991 5.451 1151 822 A 11 SER H A 8 ASP HB2 1.0 1.967 5.005 1152 823 A 34 PHE H A 44 CYS HB2 1.0 1.977 5.175 1153 824 A 40 GLY H A 39 CYS HB2 1.0 1.970 5.038 1154 825 A 45 CYS HB3 A 46 ARG H 1.0 1.963 4.945 1155 826 A 36 ASN H A 37 ASP HB2 1.0 1.989 5.407 1156 827 A 20 TRP HB2 A 20 TRP HE1 1.0 1.986 5.338 1157 828 A 12 HIS HE1 A 14 CYS HB3 1.0 1.968 5.018 1158 829 A 45 CYS HB2 A 30 TYR H 1.0 1.986 5.334 1159 830 A 26 PHE H A 45 CYS HB2 1.0 1.965 4.975 1160 831 A 16 ASN HD21 A 16 ASN HB2 1.0 1.976 5.156 1161 832 A 39 CYS HB3 A 44 CYS H 1.0 1.965 4.979 1162 833 A 29 GLU H A 26 PHE HB2 1.0 1.966 5.000 1163 834 A 30 TYR HD1 A 32 ASP HB3 1.0 1.976 5.144 1164 834 A 30 TYR HD2 A 32 ASP HB3 1.0 1.976 5.144 1165 835 A 46 ARG H A 29 GLU HB2 1.0 1.986 5.334 1166 836 A 48 GLY H A 29 GLU HB2 1.0 1.967 5.003 1167 837 A 28 HIS HD2 A 29 GLU HG3 1.0 1.985 5.319 1168 838 A 26 PHE HD1 A 29 GLU HG3 1.0 1.970 5.048 1169 838 A 26 PHE HD2 A 29 GLU HG3 1.0 1.970 5.048 1170 839 A 30 TYR H A 29 GLU HG3 1.0 1.979 5.189 1171 840 A 3 GLN HB2 A 4 ARG H 1.0 1.972 5.088 1172 841 A 23 PRO HG2 A 42 TYR HE1 1.0 1.966 4.984 1173 841 A 23 PRO HG2 A 42 TYR HE2 1.0 1.966 4.984 1174 842 A 6 ARG HE A 6 ARG HB3 1.0 1.978 5.168 1175 843 A 42 TYR HD2 A 23 PRO HB3 1.0 1.970 5.058 1176 843 A 42 TYR HD1 A 23 PRO HB3 1.0 1.970 5.058 1177 844 A 26 PHE H A 29 GLU HG2 1.0 1.968 5.022 1178 845 A 6 ARG HG2 A 7 SER H 1.0 1.988 5.388 1179 846 A 6 ARG HG3 A 7 SER H 1.0 1.984 5.304 1180 847 A 48 GLY H A 29 GLU HB3 1.0 1.962 4.926 1181 848 A 43 ARG HG2 A 44 CYS H 1.0 1.982 5.264 1182 849 A 12 HIS HD2 A 10 ASP HB3 1.0 1.985 5.311 1183 850 A 17 ASN H A 15 ALA HB% 1.0 1.977 5.169 1184 851 A 15 ALA HB% A 14 CYS H 1.0 1.961 4.917 1185 852 A 22 ARG HB2 A 26 PHE H 1.0 0.000 6.000 1186 853 A 6 ARG H A 5 ILE HG12 1.0 1.988 5.404 1187 854 A 12 HIS HD2 A 38 VAL HG2% 1.0 1.979 5.195 1188 855 A 5 ILE HG2% A 7 SER H 1.0 1.964 4.970 1189 856 A 30 TYR H A 46 ARG HB2 1.0 1.975 5.145 1190 857 A 36 ASN HD21 A 43 ARG HA 1.0 1.964 4.974 1191 858 A 45 CYS HA A 31 THR HA 1.0 1.925 4.527 1192 859 A 23 PRO HD3 A 23 PRO HB3 1.0 1.970 5.046 1193 860 A 26 PHE HB2 A 29 GLU HG2 1.0 1.974 5.114 1194 861 A 47 PRO HB3 A 29 GLU HG2 1.0 1.982 5.254 1195 862 A 48 GLY HA2 A 46 ARG HB3 1.0 1.975 5.133 1196 863 A 46 ARG HB3 A 46 ARG HD2 1.0 1.926 4.526 1197 864 A 46 ARG HB3 A 19 GLY HA3 1.0 1.997 5.681 1198 865 A 24 THR HA A 43 ARG HG2 1.0 1.991 5.457 1199 866 A 46 ARG HG2 A 47 PRO HD3 1.0 1.989 5.417 1200 867 A 10 ASP HB3 A 42 TYR HB2 1.0 1.975 5.129 1201 868 A 15 ALA HB% A 47 PRO HD3 1.0 0.000 6.000 1202 869 A 44 CYS HB3 A 15 ALA HB% 1.0 1.987 5.367 1203 870 A 15 ALA HB% A 32 ASP HB3 1.0 1.978 5.176 1204 871 A 22 ARG HB2 A 42 TYR HB3 1.0 1.982 5.266 1205 872 A 44 CYS HB3 A 38 VAL HG2% 1.0 1.980 5.212 1206 873 A 38 VAL HG2% A 36 ASN HA 1.0 1.976 5.160 1207 874 A 38 VAL HG2% A 44 CYS HB2 1.0 1.951 4.799 1208 875 A 38 VAL HG1% A 37 ASP HB2 1.0 1.963 4.949 1209 876 A 47 PRO HD3 A 46 ARG HB2 1.0 1.985 5.335 1210 877 A 33 TRP HB2 A 31 THR HG2% 1.0 1.948 7.344 1211 878 A 44 CYS HB2 A 31 THR HG2% 1.0 1.987 5.381 1212 879 A 36 ASN HB3 A 37 ASP HA 1.0 1.989 5.435 1213 880 A 43 ARG HD2 A 43 ARG HA 1.0 1.964 4.960 1214 881 A 11 SER HB3 A 8 ASP HB3 1.0 1.968 5.030 1215 882 A 39 CYS HB3 A 36 ASN HA 1.0 1.884 4.186 1216 883 A 47 PRO HB3 A 47 PRO HD2 1.0 1.963 4.945 1217 884 A 31 THR HB A 30 TYR HA 1.0 1.970 5.042 1218 885 A 30 TYR HA A 30 TYR HB3 1.0 1.706 3.224 1219 886 A 30 TYR HA A 30 TYR HB2 1.0 1.629 2.925 1220 887 A 47 PRO HD2 A 46 ARG HA 1.0 1.739 3.373 1221 888 A 46 ARG HD3 A 46 ARG HA 1.0 1.960 4.912 1222 889 A 47 PRO HG3 A 46 ARG HA 1.0 1.982 5.248 1223 890 A 46 ARG HA A 47 PRO HG2 1.0 1.978 5.194 1224 891 A 46 ARG HB3 A 46 ARG HA 1.0 1.834 3.860 1225 892 A 46 ARG HG2 A 46 ARG HA 1.0 1.879 4.155 1226 893 A 46 ARG HA A 46 ARG HG3 1.0 1.880 4.166 1227 894 A 26 PHE HA A 26 PHE HB2 1.0 1.867 4.069 1228 895 A 15 ALA HA A 14 CYS HA 1.0 0.000 6.000 1229 896 A 14 CYS HA A 38 VAL HG2% 1.0 1.716 3.266 1230 897 A 14 CYS HA A 38 VAL HG1% 1.0 0.000 6.000 1231 898 A 15 ALA HB% A 19 GLY HA2 1.0 1.864 4.044 1232 899 A 44 CYS HB3 A 19 GLY HA2 1.0 1.974 5.114 1233 900 A 32 ASP HA A 46 ARG HD2 1.0 1.964 4.964 1234 901 A 46 ARG HG2 A 19 GLY HA2 1.0 1.942 4.690 1235 902 A 19 GLY HA2 A 46 ARG HG3 1.0 1.943 4.711 1236 903 A 33 TRP HB3 A 32 ASP HA 1.0 1.973 5.095 1237 904 A 32 ASP HA A 32 ASP HB3 1.0 1.882 4.174 1238 905 A 39 CYS HA A 38 VAL HB 1.0 1.957 7.225 1239 906 A 42 TYR HA A 23 PRO HA 1.0 1.781 3.571 1240 907 A 42 TYR HA A 42 TYR HB2 1.0 1.917 4.451 1241 908 A 39 CYS HA A 21 CYS HB2 1.0 1.997 5.699 1242 909 A 39 CYS HA A 39 CYS HB2 1.0 1.809 3.717 1243 910 A 39 CYS HA A 39 CYS HB3 1.0 1.819 3.773 1244 911 A 42 TYR HA A 43 ARG HG3 1.0 1.943 4.699 1245 912 A 39 CYS HA A 38 VAL HG2% 1.0 1.922 4.496 1246 913 A 25 CYS HA A 26 PHE HB2 1.0 1.985 5.323 1247 914 A 47 PRO HB3 A 47 PRO HA 1.0 1.675 3.099 1248 915 A 22 ARG HD2 A 25 CYS HA 1.0 1.759 3.465 1249 916 A 47 PRO HG3 A 47 PRO HA 1.0 1.894 4.262 1250 917 A 25 CYS HA A 29 GLU HB2 1.0 1.959 4.897 1251 918 A 47 PRO HA A 47 PRO HG2 1.0 1.905 4.355 1252 919 A 47 PRO HA A 29 GLU HG3 1.0 1.886 4.206 1253 920 A 47 PRO HA A 29 GLU HG2 1.0 1.778 3.556 1254 921 A 47 PRO HA A 29 GLU HB3 1.0 1.935 4.619 1255 922 A 25 CYS HA A 45 CYS HB2 1.0 1.906 4.364 1256 923 A 18 ARG HD3 A 18 ARG HA 1.0 1.937 4.641 1257 924 A 18 ARG HB3 A 18 ARG HA 1.0 1.810 3.724 1258 925 A 18 ARG HG2 A 18 ARG HA 1.0 1.789 3.609 1259 926 A 15 ALA HB% A 18 ARG HA 1.0 1.951 4.795 1260 927 A 44 CYS HB3 A 44 CYS HA 1.0 1.783 3.581 1261 928 A 44 CYS HA A 44 CYS HB2 1.0 1.805 3.693 1262 929 A 22 ARG HA A 23 PRO HD3 1.0 1.717 3.273 1263 930 A 22 ARG HB2 A 22 ARG HA 1.0 1.812 3.734 1264 931 A 22 ARG HA A 23 PRO HD2 1.0 1.738 3.364 1265 932 A 22 ARG HB3 A 22 ARG HA 1.0 1.811 3.729 1266 933 A 44 CYS HB3 A 20 TRP HA 1.0 0.000 6.000 1267 934 A 20 TRP HB2 A 20 TRP HA 1.0 1.860 4.024 1268 935 A 43 ARG HA A 39 CYS HB2 1.0 1.951 4.795 1269 936 A 43 ARG HA A 44 CYS HB2 1.0 0.000 6.000 1270 937 A 39 CYS HB3 A 43 ARG HA 1.0 1.940 4.674 1271 938 A 43 ARG HG2 A 43 ARG HA 1.0 1.881 4.167 1272 939 A 11 SER HA A 21 CYS HB2 1.0 0.000 6.000 1273 940 A 12 HIS HB3 A 11 SER HA 1.0 0.000 6.000 1274 941 A 7 SER HA A 7 SER HB2 1.0 1.777 3.549 1275 942 A 7 SER HA A 7 SER HB3 1.0 1.803 3.687 1276 943 A 11 SER HB3 A 11 SER HB2 1.0 1.535 2.607 1277 944 A 11 SER HB2 A 8 ASP HB3 1.0 1.936 4.634 1278 945 A 6 ARG HA A 5 ILE HG2% 1.0 1.986 5.360 1279 946 A 9 HIS HA A 9 HIS HB2 1.0 1.724 3.300 1280 947 A 49 ARG HA A 49 ARG HB2 1.0 1.817 3.763 1281 948 A 37 ASP HB3 A 37 ASP HA 1.0 1.640 2.966 1282 949 A 38 VAL HG2% A 38 VAL HA 1.0 1.726 3.314 1283 950 A 38 VAL HG1% A 38 VAL HA 1.0 1.587 2.777 1284 951 A 36 ASN HB2 A 36 ASN HA 1.0 1.742 3.388 1285 952 A 36 ASN HA A 39 CYS HB2 1.0 1.872 4.102 1286 953 A 36 ASN HA A 44 CYS HB2 1.0 1.794 3.640 1287 954 A 48 GLY HA2 A 29 GLU HG2 1.0 0.000 6.000 1288 955 A 44 CYS HB3 A 31 THR HA 1.0 0.000 6.000 1289 956 A 5 ILE HG2% A 5 ILE HA 1.0 1.747 3.409 1290 957 A 5 ILE HA A 5 ILE HD1% 1.0 1.918 4.456 1291 958 A 18 ARG H A 16 ASN H 1.0 1.975 5.123 1292 959 A 29 GLU H A 30 TYR H 1.0 1.980 5.224 1293 960 A 37 ASP H A 35 ASN H 1.0 1.966 4.984 1294 961 A 13 SER H A 20 TRP HZ2 1.0 1.961 4.929 1295 962 A 21 CYS H A 20 TRP HZ2 1.0 0.000 6.000 1296 963 A 36 ASN H A 44 CYS H 1.0 1.991 5.459 1297 964 A 36 ASN H A 36 ASN HD22 1.0 1.978 5.188 1298 965 A 9 HIS H A 11 SER H 1.0 1.976 5.146 1299 966 A 13 SER H A 20 TRP HE3 1.0 1.972 5.076 1300 967 A 38 VAL H A 40 GLY H 1.0 1.985 5.329 1301 968 A 9 HIS H A 9 HIS HD2 1.0 1.972 5.082 1302 969 A 20 TRP HE1 A 20 TRP HZ3 1.0 0.000 6.000 1303 970 A 13 SER H A 20 TRP HZ3 1.0 1.955 4.851 1304 971 A 22 ARG HE A 26 PHE HE2 1.0 1.975 5.131 1305 971 A 22 ARG HE A 26 PHE HE1 1.0 1.975 5.131 1306 972 A 27 SER H A 28 HIS HD2 1.0 1.978 5.184 1307 973 A 18 ARG H A 18 ARG HE 1.0 1.976 5.158 1308 974 A 26 PHE HD1 A 28 HIS HE1 1.0 1.977 5.157 1309 974 A 26 PHE HD2 A 28 HIS HE1 1.0 1.977 5.157 1310 975 A 30 TYR HD1 A 32 ASP H 1.0 1.986 5.344 1311 975 A 30 TYR HD2 A 32 ASP H 1.0 1.986 5.344 1312 976 A 46 ARG H A 30 TYR HD1 1.0 1.970 5.054 1313 976 A 46 ARG H A 30 TYR HD2 1.0 1.970 5.054 1314 977 A 49 ARG H A 30 TYR HD1 1.0 1.962 4.938 1315 977 A 49 ARG H A 30 TYR HD2 1.0 1.962 4.938 1316 978 A 42 TYR HE1 A 10 ASP H 1.0 1.988 5.382 1317 978 A 42 TYR HE2 A 10 ASP H 1.0 1.988 5.382 1318 979 A 13 SER H A 12 HIS H 1.0 1.970 5.054 1319 980 A 42 TYR HD2 A 41 SER H 1.0 1.988 5.406 1320 980 A 42 TYR HD1 A 41 SER H 1.0 1.988 5.406 1321 981 A 30 TYR HE1 A 30 TYR H 1.0 1.976 5.148 1322 981 A 30 TYR HE2 A 30 TYR H 1.0 1.976 5.148 1323 982 A 30 TYR HE1 A 32 ASP H 1.0 1.988 5.402 1324 982 A 30 TYR HE2 A 32 ASP H 1.0 1.988 5.402 1325 983 A 49 ARG H A 30 TYR HE1 1.0 1.984 5.316 1326 983 A 49 ARG H A 30 TYR HE2 1.0 1.984 5.316 1327 984 A 25 CYS H A 24 THR H 1.0 1.927 4.543 1328 985 A 46 ARG H A 45 CYS H 1.0 1.987 5.385 1329 986 A 45 CYS H A 44 CYS H 1.0 1.945 4.727 1330 987 A 31 THR H A 30 TYR H 1.0 1.987 5.359 1331 988 A 32 ASP H A 31 THR H 1.0 1.979 5.211 1332 989 A 21 CYS H A 20 TRP H 1.0 1.986 5.346 1333 990 A 32 ASP H A 44 CYS H 1.0 1.987 5.371 1334 991 A 48 GLY H A 30 TYR H 1.0 1.953 4.815 1335 992 A 6 ARG H A 5 ILE H 1.0 1.932 4.590 1336 993 A 13 SER H A 14 CYS H 1.0 1.949 4.779 1337 994 A 12 HIS HD2 A 12 HIS H 1.0 1.927 4.547 1338 995 A 26 PHE H A 29 GLU HA 1.0 1.994 5.582 1339 996 A 49 ARG H A 29 GLU HA 1.0 2.000 5.972 1340 997 A 30 TYR HE1 A 29 GLU HA 1.0 1.994 5.582 1341 997 A 30 TYR HE2 A 29 GLU HA 1.0 1.994 5.582 1342 998 A 28 HIS HD2 A 29 GLU HA 1.0 1.987 6.651 1343 999 A 34 PHE H A 35 ASN HA 1.0 1.993 5.513 1344 1000 A 34 PHE HD2 A 35 ASN HA 1.0 1.991 5.485 1345 1000 A 34 PHE HD1 A 35 ASN HA 1.0 1.991 5.485 1346 1001 A 35 ASN HA A 15 ALA H 1.0 1.985 6.717 1347 1002 A 45 CYS HA A 44 CYS H 1.0 1.988 6.632 1348 1003 A 45 CYS HA A 46 ARG HE 1.0 1.932 7.548 1349 1004 A 48 GLY H A 30 TYR HA 1.0 1.955 7.247 1350 1005 A 29 GLU H A 30 TYR HA 1.0 1.992 6.516 1351 1006 A 46 ARG HA A 30 TYR H 1.0 1.990 6.580 1352 1007 A 45 CYS H A 46 ARG HA 1.0 1.967 7.055 1353 1008 A 19 GLY H A 46 ARG HA 1.0 1.991 6.549 1354 1009 A 30 TYR HE1 A 46 ARG HA 1.0 1.998 5.766 1355 1009 A 30 TYR HE2 A 46 ARG HA 1.0 1.998 5.766 1356 1010 A 30 TYR HD1 A 46 ARG HA 1.0 1.984 6.738 1357 1010 A 30 TYR HD2 A 46 ARG HA 1.0 1.984 6.738 1358 1011 A 25 CYS H A 26 PHE HA 1.0 1.995 5.603 1359 1012 A 26 PHE HA A 26 PHE HZ 1.0 0.000 6.000 1360 1013 A 28 HIS HA A 30 TYR H 1.0 1.908 7.806 1361 1014 A 21 CYS H A 14 CYS HA 1.0 1.944 7.390 1362 1015 A 48 GLY H A 28 HIS HA 1.0 1.987 6.643 1363 1016 A 18 ARG H A 19 GLY HA2 1.0 1.999 5.763 1364 1017 A 32 ASP HA A 46 ARG H 1.0 1.975 6.923 1365 1018 A 32 ASP HA A 35 ASN H 1.0 1.998 6.214 1366 1019 A 32 ASP HA A 33 TRP HE1 1.0 1.978 6.850 1367 1020 A 42 TYR HA A 24 THR H 1.0 1.918 7.698 1368 1021 A 39 CYS HA A 38 VAL H 1.0 1.999 6.149 1369 1022 A 39 CYS HA A 12 HIS H 1.0 2.000 5.952 1370 1023 A 8 ASP HA A 7 SER H 1.0 1.999 6.105 1371 1024 A 8 ASP HA A 11 SER H 1.0 1.992 5.510 1372 1025 A 49 ARG H A 47 PRO HA 1.0 1.998 5.762 1373 1026 A 47 PRO HA A 30 TYR HE1 1.0 2.000 6.056 1374 1026 A 47 PRO HA A 30 TYR HE2 1.0 2.000 6.056 1375 1027 A 46 ARG HE A 18 ARG HA 1.0 1.998 5.732 1376 1028 A 17 ASN H A 18 ARG HA 1.0 2.000 5.968 1377 1029 A 20 TRP HE1 A 22 ARG HA 1.0 1.975 6.923 1378 1030 A 20 TRP HE3 A 20 TRP HA 1.0 1.982 6.776 1379 1031 A 22 ARG H A 43 ARG HA 1.0 1.997 5.687 1380 1032 A 43 ARG HE A 43 ARG HA 1.0 2.000 5.860 1381 1033 A 13 SER H A 11 SER HA 1.0 1.992 6.518 1382 1034 A 41 SER HA A 40 GLY H 1.0 1.981 6.787 1383 1035 A 21 CYS H A 11 SER HA 1.0 1.996 5.656 1384 1036 A 34 PHE HA A 35 ASN HD21 1.0 1.963 7.135 1385 1037 A 34 PHE HA A 37 ASP H 1.0 1.939 7.451 1386 1038 A 34 PHE HA A 35 ASN HD22 1.0 1.920 7.680 1387 1039 A 20 TRP HD1 A 11 SER HB2 1.0 2.000 5.928 1388 1040 A 36 ASN H A 37 ASP HA 1.0 1.995 6.389 1389 1041 A 36 ASN HA A 35 ASN H 1.0 1.996 5.624 1390 1042 A 2 TYR HDy A 3 GLN HA 1.0 1.978 6.870 1391 1042 A 2 TYR HDx A 3 GLN HA 1.0 1.978 6.870 1392 1043 A 16 ASN HA A 16 ASN HD21 1.0 1.996 5.652 1393 1044 A 45 CYS H A 31 THR HA 1.0 1.999 5.841 1394 1045 A 12 HIS HA A 42 TYR HD2 1.0 1.966 7.074 1395 1045 A 12 HIS HA A 42 TYR HD1 1.0 1.966 7.074 1396 1046 A 33 TRP HE1 A 31 THR HA 1.0 1.974 6.952 1397 1047 A 27 SER HA A 26 PHE HD1 1.0 1.997 6.341 1398 1047 A 27 SER HA A 26 PHE HD2 1.0 1.997 6.341 1399 1048 A 27 SER HA A 28 HIS HD2 1.0 1.995 6.403 1400 1049 A 33 TRP HE1 A 33 TRP HA 1.0 1.991 6.527 1401 1050 A 33 TRP HA A 44 CYS H 1.0 1.984 6.728 1402 1051 A 33 TRP HA A 37 ASP H 1.0 1.993 6.473 1403 1052 A 30 TYR HE1 A 47 PRO HD3 1.0 1.991 6.525 1404 1052 A 30 TYR HE2 A 47 PRO HD3 1.0 1.991 6.525 1405 1053 A 20 TRP H A 47 PRO HD3 1.0 1.999 6.151 1406 1054 A 46 ARG H A 47 PRO HD3 1.0 1.994 5.586 1407 1055 A 1 SER HA A 2 TYR H 1.0 2.000 5.994 1408 1056 A 45 CYS H A 47 PRO HD3 1.0 1.990 6.548 1409 1057 A 6 ARG HE A 1 SER HA 1.0 1.989 6.599 1410 1058 A 18 ARG H A 13 SER HB3 1.0 1.999 5.861 1411 1059 A 19 GLY H A 13 SER HB3 1.0 1.992 5.518 1412 1060 A 48 GLY HA3 A 30 TYR H 1.0 1.980 6.818 1413 1061 A 24 THR HA A 22 ARG H 1.0 1.960 7.168 1414 1062 A 6 ARG HE A 13 SER HB2 1.0 2.000 5.988 1415 1063 A 13 SER HB2 A 21 CYS H 1.0 1.979 6.831 1416 1064 A 18 ARG H A 13 SER HB2 1.0 1.928 7.592 1417 1065 A 13 SER HB2 A 20 TRP HE3 1.0 1.999 5.771 1418 1066 A 11 SER HB3 A 8 ASP H 1.0 1.999 6.159 1419 1067 A 11 SER HB3 A 10 ASP H 1.0 1.991 5.493 1420 1068 A 11 SER HB3 A 21 CYS H 1.0 1.939 7.451 1421 1069 A 19 GLY H A 47 PRO HD2 1.0 1.999 5.845 1422 1070 A 47 PRO HD2 A 30 TYR H 1.0 1.952 7.294 1423 1071 A 47 PRO HD2 A 20 TRP H 1.0 1.998 6.250 1424 1072 A 46 ARG H A 47 PRO HD2 1.0 1.999 5.859 1425 1073 A 15 ALA HA A 16 ASN HD22 1.0 1.961 7.147 1426 1074 A 18 ARG HE A 15 ALA HA 1.0 1.999 6.143 1427 1075 A 47 PRO HD2 A 30 TYR HD1 1.0 1.986 6.696 1428 1075 A 47 PRO HD2 A 30 TYR HD2 1.0 1.986 6.696 1429 1076 A 23 PRO HA A 22 ARG H 1.0 1.997 6.325 1430 1077 A 10 ASP H A 7 SER HB3 1.0 1.982 6.794 1431 1078 A 42 TYR H A 23 PRO HA 1.0 1.993 6.499 1432 1079 A 23 PRO HA A 43 ARG HE 1.0 1.984 6.736 1433 1080 A 21 CYS H A 14 CYS HB2 1.0 2.000 6.032 1434 1081 A 38 VAL H A 14 CYS HB2 1.0 1.999 6.179 1435 1082 A 33 TRP H A 31 THR HB 1.0 1.993 5.519 1436 1083 A 31 THR HB A 30 TYR H 1.0 1.929 7.579 1437 1084 A 26 PHE HZ A 26 PHE HB3 1.0 1.996 6.338 1438 1085 A 22 ARG HE A 26 PHE HB3 1.0 1.997 6.267 1439 1086 A 22 ARG H A 23 PRO HD2 1.0 2.000 5.842 1440 1087 A 20 TRP HD1 A 23 PRO HD2 1.0 1.999 5.839 1441 1088 A 46 ARG H A 19 GLY HA3 1.0 1.992 6.522 1442 1089 A 45 CYS H A 19 GLY HA3 1.0 1.995 5.583 1443 1090 A 21 CYS H A 19 GLY HA3 1.0 1.971 6.995 1444 1091 A 18 ARG H A 19 GLY HA3 1.0 1.994 5.588 1445 1092 A 19 GLY HA3 A 46 ARG HE 1.0 1.998 5.736 1446 1093 A 17 ASN HD22 A 19 GLY HA3 1.0 1.953 7.279 1447 1094 A 12 HIS HB2 A 20 TRP HZ3 1.0 2.000 6.102 1448 1095 A 20 TRP HE1 A 12 HIS HB2 1.0 1.932 7.538 1449 1096 A 11 SER H A 12 HIS HB2 1.0 1.960 7.172 1450 1097 A 12 HIS HB2 A 20 TRP HH2 1.0 1.983 6.741 1451 1098 A 33 TRP HE1 A 33 TRP HB2 1.0 2.000 5.960 1452 1099 A 18 ARG H A 18 ARG HD3 1.0 1.992 5.488 1453 1100 A 11 SER H A 9 HIS HB3 1.0 1.989 6.599 1454 1101 A 12 HIS H A 42 TYR HB2 1.0 1.934 7.522 1455 1102 A 18 ARG HD2 A 2 TYR HEy 1.0 1.974 6.932 1456 1102 A 18 ARG HD2 A 2 TYR HEx 1.0 1.974 6.932 1457 1103 A 33 TRP HE1 A 30 TYR HB3 1.0 1.918 7.700 1458 1104 A 46 ARG H A 30 TYR HB3 1.0 1.986 6.680 1459 1105 A 45 CYS H A 21 CYS HB2 1.0 1.988 6.626 1460 1106 A 42 TYR H A 21 CYS HB2 1.0 1.997 6.289 1461 1107 A 21 CYS HB2 A 11 SER H 1.0 1.994 6.454 1462 1108 A 20 TRP HD1 A 21 CYS HB2 1.0 1.995 5.597 1463 1109 A 16 ASN HB3 A 15 ALA H 1.0 1.917 7.715 1464 1110 A 12 HIS HB3 A 14 CYS H 1.0 1.993 6.501 1465 1111 A 12 HIS HB3 A 20 TRP HZ3 1.0 1.999 5.871 1466 1112 A 12 HIS HB3 A 20 TRP HH2 1.0 1.997 6.347 1467 1113 A 20 TRP HE1 A 20 TRP HB3 1.0 1.999 5.809 1468 1114 A 44 CYS HB3 A 15 ALA H 1.0 1.988 6.634 1469 1115 A 42 TYR HB3 A 41 SER H 1.0 2.000 5.976 1470 1116 A 36 ASN HB3 A 38 VAL H 1.0 1.999 6.125 1471 1117 A 44 CYS HB3 A 35 ASN HD22 1.0 1.951 7.293 1472 1118 A 42 TYR HB3 A 12 HIS H 1.0 1.966 7.082 1473 1119 A 24 THR H A 43 ARG HD3 1.0 1.999 5.779 1474 1120 A 43 ARG HD2 A 33 TRP HZ2 1.0 1.998 5.738 1475 1121 A 34 PHE HD2 A 33 TRP HB3 1.0 2.000 6.080 1476 1121 A 34 PHE HD1 A 33 TRP HB3 1.0 2.000 6.080 1477 1122 A 46 ARG HD2 A 35 ASN HD21 1.0 1.995 6.423 1478 1123 A 10 ASP H A 8 ASP HB2 1.0 1.998 5.710 1479 1124 A 35 ASN HD21 A 44 CYS HB2 1.0 1.984 6.724 1480 1125 A 44 CYS HB2 A 35 ASN H 1.0 2.000 5.906 1481 1126 A 24 THR H A 45 CYS HB3 1.0 1.951 7.309 1482 1127 A 26 PHE H A 45 CYS HB3 1.0 1.994 5.582 1483 1128 A 21 CYS HB3 A 12 HIS HD2 1.0 1.999 5.897 1484 1129 A 20 TRP HB2 A 20 TRP HE3 1.0 1.959 7.187 1485 1130 A 35 ASN HD21 A 14 CYS HB3 1.0 1.998 6.256 1486 1131 A 35 ASN HD22 A 14 CYS HB3 1.0 1.981 6.793 1487 1132 A 25 CYS H A 45 CYS HB2 1.0 1.983 6.767 1488 1133 A 29 GLU H A 45 CYS HB2 1.0 1.968 7.042 1489 1134 A 28 HIS HD2 A 45 CYS HB2 1.0 1.930 7.558 1490 1135 A 45 CYS HB2 A 30 TYR HD1 1.0 1.920 7.678 1491 1135 A 45 CYS HB2 A 30 TYR HD2 1.0 1.920 7.678 1492 1136 A 10 ASP H A 8 ASP HB3 1.0 2.000 6.040 1493 1137 A 11 SER H A 8 ASP HB3 1.0 1.998 5.736 1494 1138 A 42 TYR HE1 A 8 ASP HB3 1.0 1.998 6.202 1495 1138 A 42 TYR HE2 A 8 ASP HB3 1.0 1.998 6.202 1496 1139 A 7 SER H A 8 ASP HB3 1.0 1.988 6.636 1497 1140 A 15 ALA H A 16 ASN HB2 1.0 1.970 7.008 1498 1141 A 18 ARG H A 16 ASN HB2 1.0 1.996 5.632 1499 1142 A 39 CYS HB3 A 22 ARG H 1.0 1.978 6.848 1500 1143 A 39 CYS HB3 A 43 ARG H 1.0 1.996 5.652 1501 1144 A 39 CYS HB3 A 21 CYS H 1.0 1.928 7.596 1502 1145 A 36 ASN H A 39 CYS HB3 1.0 1.983 6.737 1503 1146 A 39 CYS HB3 A 38 VAL H 1.0 0.000 6.000 1504 1147 A 39 CYS HB3 A 42 TYR HE1 1.0 1.971 7.007 1505 1147 A 39 CYS HB3 A 42 TYR HE2 1.0 1.971 7.007 1506 1148 A 39 CYS HB3 A 42 TYR HD2 1.0 2.000 5.896 1507 1148 A 39 CYS HB3 A 42 TYR HD1 1.0 2.000 5.896 1508 1149 A 28 HIS H A 26 PHE HB2 1.0 1.995 5.613 1509 1150 A 22 ARG HE A 26 PHE HB2 1.0 2.000 6.080 1510 1151 A 26 PHE HZ A 26 PHE HB2 1.0 1.968 7.042 1511 1152 A 32 ASP HB3 A 35 ASN HD21 1.0 1.996 5.672 1512 1153 A 25 CYS HB3 A 30 TYR H 1.0 1.998 5.782 1513 1154 A 46 ARG H A 32 ASP HB3 1.0 1.998 5.810 1514 1155 A 34 PHE H A 32 ASP HB3 1.0 1.999 6.153 1515 1156 A 32 ASP HB3 A 35 ASN H 1.0 1.996 5.670 1516 1157 A 32 ASP HB3 A 46 ARG HE 1.0 2.000 5.872 1517 1158 A 38 VAL HB A 15 ALA H 1.0 1.983 6.747 1518 1159 A 10 ASP HB2 A 12 HIS H 1.0 1.965 7.107 1519 1160 A 47 PRO HG3 A 20 TRP H 1.0 1.997 6.325 1520 1161 A 35 ASN HB2 A 44 CYS H 1.0 1.975 6.921 1521 1162 A 35 ASN HB2 A 37 ASP H 1.0 2.000 5.952 1522 1163 A 47 PRO HG3 A 28 HIS HE1 1.0 1.966 7.078 1523 1164 A 34 PHE HD2 A 35 ASN HB2 1.0 1.992 6.530 1524 1164 A 34 PHE HD1 A 35 ASN HB2 1.0 1.992 6.530 1525 1165 A 47 PRO HG3 A 46 ARG HE 1.0 1.987 6.681 1526 1166 A 47 PRO HG3 A 30 TYR HE1 1.0 1.948 7.344 1527 1166 A 47 PRO HG3 A 30 TYR HE2 1.0 1.948 7.344 1528 1167 A 22 ARG HE A 29 GLU HB2 1.0 1.998 6.294 1529 1168 A 17 ASN H A 18 ARG HB2 1.0 1.986 6.686 1530 1169 A 49 ARG H A 47 PRO HB2 1.0 1.991 6.557 1531 1170 A 22 ARG HE A 29 GLU HG3 1.0 1.986 6.702 1532 1171 A 28 HIS H A 29 GLU HG3 1.0 1.929 7.575 1533 1172 A 46 ARG H A 32 ASP HB2 1.0 1.998 5.794 1534 1173 A 34 PHE HD2 A 32 ASP HB2 1.0 1.949 7.329 1535 1173 A 34 PHE HD1 A 32 ASP HB2 1.0 1.949 7.329 1536 1174 A 35 ASN HD21 A 32 ASP HB2 1.0 1.998 6.202 1537 1175 A 35 ASN H A 32 ASP HB2 1.0 1.999 6.157 1538 1176 A 32 ASP HB2 A 46 ARG HE 1.0 1.998 5.742 1539 1177 A 23 PRO HG2 A 42 TYR HD2 1.0 1.992 5.516 1540 1177 A 23 PRO HG2 A 42 TYR HD1 1.0 1.992 5.516 1541 1178 A 15 ALA H A 18 ARG HB3 1.0 1.950 7.322 1542 1179 A 17 ASN H A 18 ARG HB3 1.0 1.999 5.871 1543 1180 A 3 GLN HB3 A 4 ARG H 1.0 2.000 5.966 1544 1181 A 17 ASN H A 18 ARG HG3 1.0 1.999 5.819 1545 1182 A 46 ARG H A 29 GLU HG2 1.0 1.985 6.701 1546 1183 A 28 HIS HD2 A 29 GLU HG2 1.0 1.997 5.747 1547 1184 A 26 PHE HD1 A 29 GLU HG2 1.0 2.000 6.040 1548 1184 A 26 PHE HD2 A 29 GLU HG2 1.0 2.000 6.040 1549 1185 A 4 ARG HE A 6 ARG HB2 1.0 1.972 6.976 1550 1186 A 6 ARG HB2 A 8 ASP H 1.0 1.998 5.744 1551 1187 A 6 ARG HB2 A 6 ARG HE 1.0 1.999 6.161 1552 1188 A 46 ARG HB3 A 30 TYR H 1.0 1.995 6.417 1553 1189 A 6 ARG HG2 A 6 ARG HE 1.0 1.998 5.748 1554 1190 A 4 ARG HG2 A 3 GLN H 1.0 1.958 7.204 1555 1191 A 6 ARG HE A 6 ARG HG3 1.0 1.999 5.779 1556 1192 A 22 ARG HE A 29 GLU HB3 1.0 1.987 6.641 1557 1193 A 45 CYS H A 29 GLU HB3 1.0 1.988 6.648 1558 1194 A 25 CYS H A 43 ARG HG2 1.0 2.000 5.982 1559 1195 A 43 ARG HG2 A 31 THR H 1.0 1.986 6.668 1560 1196 A 43 ARG HG2 A 33 TRP HH2 1.0 1.984 6.720 1561 1197 A 43 ARG HG2 A 33 TRP HZ3 1.0 1.915 7.725 1562 1198 A 43 ARG HG2 A 42 TYR HD2 1.0 1.950 7.314 1563 1198 A 43 ARG HG2 A 42 TYR HD1 1.0 1.950 7.314 1564 1199 A 43 ARG HG2 A 36 ASN HD22 1.0 1.985 6.717 1565 1200 A 26 PHE H A 22 ARG HB3 1.0 2.000 6.018 1566 1201 A 26 PHE HE2 A 22 ARG HB3 1.0 1.992 6.544 1567 1201 A 26 PHE HE1 A 22 ARG HB3 1.0 1.992 6.544 1568 1202 A 46 ARG HG2 A 30 TYR H 1.0 1.944 7.390 1569 1203 A 19 GLY H A 46 ARG HG2 1.0 2.000 6.028 1570 1204 A 46 ARG HG2 A 35 ASN HD22 1.0 1.984 6.728 1571 1205 A 30 TYR HD1 A 46 ARG HG2 1.0 1.992 5.524 1572 1205 A 30 TYR HD2 A 46 ARG HG2 1.0 1.992 5.524 1573 1206 A 30 TYR HD1 A 46 ARG HG3 1.0 1.999 6.195 1574 1206 A 30 TYR HD2 A 46 ARG HG3 1.0 1.999 6.195 1575 1207 A 15 ALA HB% A 35 ASN H 1.0 1.998 5.810 1576 1208 A 36 ASN H A 15 ALA HB% 1.0 1.992 6.514 1577 1209 A 15 ALA HB% A 34 PHE HE1 1.0 1.950 7.320 1578 1209 A 15 ALA HB% A 34 PHE HE2 1.0 1.950 7.320 1579 1210 A 15 ALA HB% A 16 ASN HD22 1.0 1.969 7.027 1580 1211 A 34 PHE HD1 A 15 ALA HB% 1.0 1.997 6.305 1581 1211 A 34 PHE HD2 A 15 ALA HB% 1.0 1.997 6.305 1582 1212 A 15 ALA HB% A 16 ASN HD21 1.0 1.984 6.744 1583 1213 A 22 ARG HB2 A 20 TRP HE1 1.0 0.000 6.000 1584 1214 A 22 ARG HB2 A 20 TRP H 1.0 1.991 6.561 1585 1215 A 22 ARG HB2 A 21 CYS H 1.0 1.966 7.078 1586 1216 A 22 ARG HB2 A 26 PHE HE2 1.0 2.000 6.052 1587 1216 A 22 ARG HB2 A 26 PHE HE1 1.0 2.000 6.052 1588 1217 A 22 ARG HB2 A 26 PHE HZ 1.0 1.980 6.812 1589 1218 A 22 ARG HB2 A 42 TYR HE1 1.0 1.998 6.246 1590 1218 A 22 ARG HB2 A 42 TYR HE2 1.0 1.998 6.246 1591 1219 A 22 ARG HB2 A 42 TYR HD2 1.0 1.999 6.079 1592 1219 A 22 ARG HB2 A 42 TYR HD1 1.0 1.999 6.079 1593 1220 A 26 PHE H A 24 THR HG2% 1.0 1.997 6.289 1594 1221 A 26 PHE HE1 A 24 THR HG2% 1.0 1.998 6.282 1595 1221 A 26 PHE HE2 A 24 THR HG2% 1.0 1.998 6.282 1596 1222 A 26 PHE HD1 A 24 THR HG2% 1.0 1.996 6.350 1597 1222 A 26 PHE HD2 A 24 THR HG2% 1.0 1.996 6.350 1598 1223 A 43 ARG HE A 24 THR HG2% 1.0 1.999 6.213 1599 1224 A 42 TYR HD1 A 24 THR HG2% 1.0 1.913 7.755 1600 1224 A 42 TYR HD2 A 24 THR HG2% 1.0 1.913 7.755 1601 1225 A 38 VAL HG2% A 44 CYS H 1.0 1.981 6.797 1602 1226 A 38 VAL HG2% A 16 ASN H 1.0 2.000 6.100 1603 1227 A 38 VAL HG2% A 16 ASN HD22 1.0 1.911 7.773 1604 1228 A 38 VAL HG2% A 35 ASN HD21 1.0 1.968 7.046 1605 1229 A 40 GLY H A 38 VAL HG2% 1.0 1.999 5.861 1606 1230 A 40 GLY H A 38 VAL HG1% 1.0 1.998 5.748 1607 1231 A 35 ASN HD22 A 38 VAL HG1% 1.0 1.944 7.390 1608 1232 A 42 TYR HE1 A 5 ILE HG2% 1.0 1.977 6.885 1609 1232 A 42 TYR HE2 A 5 ILE HG2% 1.0 1.977 6.885 1610 1233 A 4 ARG H A 5 ILE HD1% 1.0 1.923 7.647 1611 1234 A 22 ARG H A 31 THR HG2% 1.0 1.935 7.507 1612 1235 A 46 ARG H A 31 THR HG2% 1.0 1.992 6.488 1613 1236 A 25 CYS H A 31 THR HG2% 1.0 1.989 6.605 1614 1237 A 43 ARG H A 31 THR HG2% 1.0 1.995 5.643 1615 1238 A 34 PHE H A 31 THR HG2% 1.0 2.000 5.950 1616 1239 A 30 TYR HD2 A 31 THR HG2% 1.0 1.990 5.442 1617 1239 A 30 TYR HD1 A 31 THR HG2% 1.0 1.990 5.442 1618 1240 A 30 TYR HE2 A 31 THR HG2% 1.0 1.995 6.421 1619 1240 A 30 TYR HE1 A 31 THR HG2% 1.0 1.995 6.421 1620 1241 A 45 CYS HA A 31 THR HG2% 1.0 1.983 6.757 1621 1242 A 36 ASN HD21 A 36 ASN HA 1.0 1.996 6.348 1622 1243 A 21 CYS HA A 14 CYS HB2 1.0 1.962 7.152 1623 1244 A 36 ASN HD21 A 33 TRP HB2 1.0 2.000 6.124 1624 1245 A 21 CYS HA A 42 TYR HB2 1.0 1.995 5.621 1625 1246 A 39 CYS HB3 A 21 CYS HA 1.0 1.983 6.753 1626 1247 A 36 ASN HD21 A 43 ARG HG2 1.0 1.990 6.574 1627 1248 A 22 ARG HB2 A 21 CYS HA 1.0 1.994 5.556 1628 1249 A 20 TRP HE1 A 21 CYS H 1.0 1.998 5.740 1629 1250 A 22 ARG H A 21 CYS H 1.0 1.996 5.626 1630 1251 A 42 TYR H A 22 ARG H 1.0 1.983 6.739 1631 1252 A 14 CYS H A 15 ALA H 1.0 1.991 5.459 1632 1253 A 14 CYS H A 20 TRP H 1.0 1.995 5.615 1633 1254 A 18 ARG H A 15 ALA H 1.0 1.988 6.642 1634 1255 A 20 TRP HE1 A 20 TRP HZ2 1.0 1.976 6.892 1635 1256 A 36 ASN H A 35 ASN HD21 1.0 1.988 6.626 1636 1257 A 34 PHE HD2 A 35 ASN HD21 1.0 1.993 5.535 1637 1257 A 34 PHE HD1 A 35 ASN HD21 1.0 1.993 5.535 1638 1258 A 38 VAL H A 15 ALA H 1.0 1.958 7.198 1639 1259 A 20 TRP HD1 A 22 ARG H 1.0 1.990 6.584 1640 1260 A 20 TRP HD1 A 20 TRP H 1.0 2.000 5.874 1641 1261 A 20 TRP HE1 A 42 TYR HE1 1.0 1.967 7.047 1642 1261 A 20 TRP HE1 A 42 TYR HE2 1.0 1.967 7.047 1643 1262 A 22 ARG H A 42 TYR HE1 1.0 1.978 6.864 1644 1262 A 22 ARG H A 42 TYR HE2 1.0 1.978 6.864 1645 1263 A 24 THR H A 22 ARG H 1.0 1.991 6.531 1646 1264 A 33 TRP HE1 A 31 THR H 1.0 1.991 5.467 1647 1265 A 33 TRP HE1 A 33 TRP HH2 1.0 1.972 5.078 1648 1266 A 16 ASN H A 35 ASN HD21 1.0 1.960 7.162 1649 1267 A 17 ASN H A 15 ALA H 1.0 1.999 5.845 1650 1268 A 19 GLY H A 15 ALA H 1.0 2.000 5.988 1651 1269 A 34 PHE H A 35 ASN HD21 1.0 2.000 5.892 1652 1270 A 38 VAL H A 44 CYS H 1.0 1.922 7.654 1653 1271 A 28 HIS HD2 A 28 HIS HE1 1.0 1.999 5.889 1654 1272 A 28 HIS HD2 A 28 HIS H 1.0 2.000 5.966 1655 1273 A 5 ILE H A 20 TRP HH2 1.0 1.915 7.729 1656 1274 A 21 CYS H A 20 TRP HH2 1.0 1.961 7.147 1657 1275 A 22 ARG HE A 26 PHE HZ 1.0 1.998 6.248 1658 1276 A 46 ARG H A 46 ARG HE 1.0 2.000 6.056 1659 1277 A 49 ARG H A 49 ARG HE 1.0 1.969 7.023 1660 1278 A 43 ARG H A 33 TRP HZ3 1.0 1.912 7.766 1661 1279 A 17 ASN H A 2 TYR HDy 1.0 1.957 7.215 1662 1279 A 17 ASN H A 2 TYR HDx 1.0 1.957 7.215 1663 1280 A 2 TYR HDy A 4 ARG H 1.0 1.991 6.551 1664 1280 A 2 TYR HDx A 4 ARG H 1.0 1.991 6.551 1665 1281 A 2 TYR HDy A 3 GLN H 1.0 2.000 6.046 1666 1281 A 2 TYR HDx A 3 GLN H 1.0 2.000 6.046 1667 1282 A 25 CYS H A 26 PHE HD1 1.0 1.996 6.344 1668 1282 A 25 CYS H A 26 PHE HD2 1.0 1.996 6.344 1669 1283 A 26 PHE HD1 A 45 CYS H 1.0 1.927 7.601 1670 1283 A 26 PHE HD2 A 45 CYS H 1.0 1.927 7.601 1671 1284 A 25 CYS H A 43 ARG HE 1.0 1.997 6.291 1672 1285 A 43 ARG HE A 43 ARG H 1.0 1.998 6.232 1673 1286 A 20 TRP HD1 A 45 CYS H 1.0 1.957 7.223 1674 1287 A 17 ASN H A 17 ASN HD21 1.0 1.999 6.117 1675 1288 A 42 TYR HE1 A 41 SER H 1.0 1.974 6.928 1676 1288 A 42 TYR HE2 A 41 SER H 1.0 1.974 6.928 1677 1289 A 42 TYR HE1 A 7 SER H 1.0 1.996 6.374 1678 1289 A 42 TYR HE2 A 7 SER H 1.0 1.996 6.374 1679 1290 A 43 ARG H A 42 TYR HE1 1.0 1.999 5.861 1680 1290 A 43 ARG H A 42 TYR HE2 1.0 1.999 5.861 1681 1291 A 12 HIS HE1 A 12 HIS H 1.0 1.993 6.469 1682 1292 A 42 TYR HD2 A 10 ASP H 1.0 2.000 6.142 1683 1292 A 42 TYR HD1 A 10 ASP H 1.0 2.000 6.142 1684 1293 A 46 ARG H A 30 TYR HE1 1.0 1.994 5.566 1685 1293 A 46 ARG H A 30 TYR HE2 1.0 1.994 5.566 1686 1294 A 48 GLY H A 30 TYR HE1 1.0 1.996 5.666 1687 1294 A 48 GLY H A 30 TYR HE2 1.0 1.996 5.666 1688 1295 A 30 TYR HE1 A 31 THR H 1.0 2.000 6.072 1689 1295 A 30 TYR HE2 A 31 THR H 1.0 2.000 6.072 1690 1296 A 34 PHE H A 30 TYR HE1 1.0 1.993 6.463 1691 1296 A 34 PHE H A 30 TYR HE2 1.0 1.993 6.463 1692 1297 A 48 GLY H A 29 GLU H 1.0 1.997 5.649 1693 1298 A 22 ARG HE A 29 GLU H 1.0 1.948 7.346 1694 1299 A 44 CYS H A 35 ASN H 1.0 1.964 7.100 1695 1300 A 33 TRP HE3 A 44 CYS H 1.0 1.948 7.342 1696 1301 A 16 ASN H A 16 ASN HD22 1.0 1.998 5.748 1697 1302 A 13 SER H A 20 TRP HE1 1.0 1.991 6.553 1698 1303 A 21 CYS H A 45 CYS H 1.0 1.989 6.597 1699 1304 A 13 SER H A 21 CYS H 1.0 1.996 6.386 1700 1305 A 43 ARG HE A 36 ASN HD21 1.0 1.972 6.976 1701 1306 A 20 TRP HD1 A 21 CYS HA 1.0 1.999 5.859 1702 1307 A 42 TYR HE1 A 21 CYS HA 1.0 2.000 6.008 1703 1307 A 42 TYR HE2 A 21 CYS HA 1.0 2.000 6.008 1704 1308 A 21 CYS HA A 12 HIS H 1.0 1.998 6.204 1705 1309 A 42 TYR H A 42 TYR HE1 1.0 1.998 5.744 1706 1309 A 42 TYR H A 42 TYR HE2 1.0 1.998 5.744 1707 1310 A 25 CYS HB2 A 29 GLU HA 1.0 1.993 5.539 1708 1311 A 29 GLU HA A 30 TYR HB3 1.0 1.931 7.549 1709 1312 A 29 GLU HA A 30 TYR HB2 1.0 1.996 6.368 1710 1313 A 45 CYS HB2 A 29 GLU HA 1.0 1.984 6.732 1711 1314 A 47 PRO HB3 A 29 GLU HA 1.0 1.981 5.243 1712 1315 A 48 GLY HA2 A 29 GLU HA 1.0 1.992 5.526 1713 1316 A 48 GLY HA3 A 29 GLU HA 1.0 1.997 5.689 1714 1317 A 22 ARG H A 44 CYS H 1.0 1.998 6.278 1715 1318 A 22 ARG H A 20 TRP H 1.0 1.947 7.357 1716 1319 A 46 ARG H A 31 THR H 1.0 1.970 7.004 1717 1320 A 19 GLY H A 16 ASN H 1.0 1.983 6.751 1718 1321 A 36 ASN HD22 A 44 CYS H 1.0 2.000 5.858 1719 1322 A 35 ASN HD22 A 15 ALA H 1.0 1.955 4.845 1720 1323 A 17 ASN H A 19 GLY H 1.0 1.999 6.209 1721 1324 A 17 ASN H A 14 CYS H 1.0 1.979 5.199 1722 1325 A 17 ASN H A 17 ASN HD22 1.0 1.998 6.268 1723 1326 A 20 TRP HZ2 A 20 TRP HZ3 1.0 1.950 4.788 1724 1327 A 36 ASN HD22 A 33 TRP HH2 1.0 1.987 6.671 1725 1328 A 28 HIS HD2 A 29 GLU H 1.0 1.989 6.627 1726 1329 A 35 ASN HD22 A 35 ASN H 1.0 1.994 5.582 1727 1330 A 18 ARG H A 17 ASN HD21 1.0 1.953 7.267 1728 1331 A 26 PHE HZ A 26 PHE HD1 1.0 0.000 6.000 1729 1331 A 26 PHE HZ A 26 PHE HD2 1.0 0.000 6.000 1730 1332 A 20 TRP HD1 A 20 TRP HE3 1.0 1.988 5.388 1731 1333 A 33 TRP H A 30 TYR HE1 1.0 0.000 6.000 1732 1333 A 33 TRP H A 30 TYR HE2 1.0 0.000 6.000 1733 1334 A 12 HIS H A 11 SER H 1.0 1.978 5.176 1734 1335 A 42 TYR HE1 A 11 SER H 1.0 1.933 4.605 1735 1335 A 42 TYR HE2 A 11 SER H 1.0 1.933 4.605 1736 1336 A 36 ASN HD21 A 33 TRP HH2 1.0 1.995 5.613 1737 1337 A 20 TRP HE1 A 21 CYS HB2 1.0 2.000 6.050 1738 1338 A 20 TRP H A 46 ARG HG3 1.0 1.931 4.579 1739 1339 A 32 ASP H A 46 ARG HB2 1.0 2.000 6.032 1740 1340 A 12 HIS HE1 A 38 VAL HG1% 1.0 0.000 6.000 1741 1341 A 5 ILE H A 5 ILE HD1% 1.0 2.000 5.908 1742 1342 A 38 VAL HG1% A 16 ASN H 1.0 1.988 6.632 1743 1343 A 10 ASP HB3 A 41 SER H 1.0 1.980 5.226 1744 1344 A 22 ARG HE A 22 ARG HB3 1.0 1.952 4.814 1745 1345 A 4 ARG HG2 A 5 ILE H 1.0 1.997 5.713 1746 1346 A 4 ARG HG2 A 4 ARG H 1.0 1.952 4.806 1747 1347 A 22 ARG HE A 29 GLU HG2 1.0 1.991 6.561 1748 1348 A 8 ASP H A 6 ARG HB3 1.0 1.974 5.102 1749 1349 A 48 GLY H A 29 GLU HG3 1.0 1.979 5.195 1750 1350 A 44 CYS H A 32 ASP HB2 1.0 1.986 6.674 1751 1351 A 39 CYS HB3 A 12 HIS HE1 1.0 1.999 6.123 1752 1352 A 37 ASP H A 14 CYS HB2 1.0 1.909 7.799 1753 1353 A 8 ASP H A 7 SER HB3 1.0 1.915 4.435 1754 1354 A 7 SER H A 7 SER HB2 1.0 1.813 3.739 1755 1355 A 13 SER H A 13 SER HB3 1.0 1.796 3.646 1756 1356 A 17 ASN H A 13 SER HB2 1.0 1.991 5.493 1757 1357 A 17 ASN HA A 19 GLY H 1.0 1.793 3.633 1758 1358 A 31 THR H A 31 THR HA 1.0 1.783 3.581 1759 1359 A 34 PHE HA A 33 TRP HE3 1.0 1.999 6.179 1760 1360 A 21 CYS H A 13 SER HB3 1.0 1.992 6.520 1761 1361 A 13 SER HB2 A 14 CYS H 1.0 0.000 6.000 1762 1362 A 34 PHE HB2 A 35 ASN H 1.0 1.734 3.350 1763 1363 A 18 ARG H A 17 ASN HB2 1.0 1.961 4.923 1764 1364 A 29 GLU H A 25 CYS HB3 1.0 1.996 5.664 1765 1365 A 39 CYS H A 38 VAL HG1% 1.0 1.897 4.293 1766 1366 A 26 PHE HD1 A 29 GLU HB3 1.0 1.977 6.883 1767 1366 A 26 PHE HD2 A 29 GLU HB3 1.0 1.977 6.883 1768 1367 A 30 TYR HD1 A 29 GLU HB2 1.0 1.998 6.300 1769 1367 A 30 TYR HD2 A 29 GLU HB2 1.0 1.998 6.300 1770 1368 A 2 TYR HEy A 19 GLY HA3 1.0 1.962 7.138 1771 1368 A 2 TYR HEx A 19 GLY HA3 1.0 1.962 7.138 1772 1369 A 13 SER HB3 A 20 TRP HH2 1.0 0.000 6.000 1773 1370 A 20 TRP HD1 A 20 TRP HA 1.0 1.920 4.480 1774 1371 A 30 TYR HE1 A 29 GLU HB3 1.0 0.000 6.000 1775 1371 A 30 TYR HE2 A 29 GLU HB3 1.0 0.000 6.000 1776 1372 A 35 ASN HA A 38 VAL HG1% 1.0 1.956 7.228 1777 1373 A 35 ASN HA A 38 VAL HG2% 1.0 1.963 7.125 1778 1374 A 15 ALA HB% A 35 ASN HA 1.0 1.993 6.495 1779 1375 A 29 GLU HB3 A 45 CYS HA 1.0 1.992 6.510 1780 1376 A 45 CYS HA A 44 CYS HA 1.0 1.950 7.316 1781 1377 A 34 PHE HA A 35 ASN HA 1.0 1.992 6.518 1782 1378 A 39 CYS HA A 21 CYS HA 1.0 1.957 7.207 1783 1379 A 15 ALA HA A 35 ASN HA 1.0 1.983 6.757 1784 1380 A 21 CYS HA A 21 CYS HB2 1.0 1.888 4.224 1785 1381 A 45 CYS HB3 A 45 CYS HA 1.0 1.973 5.103 1786 1382 A 45 CYS HB2 A 45 CYS HA 1.0 1.943 4.703 1787 1383 A 45 CYS HA A 46 ARG HB2 1.0 1.977 6.867 1788 1384 A 13 SER HA A 20 TRP HA 1.0 1.537 2.615 1789 1385 A 44 CYS HA A 36 ASN HA 1.0 1.997 5.711 1790 1386 A 43 ARG HA A 36 ASN HA 1.0 1.948 4.770 1791 1387 A 39 CYS HA A 36 ASN HA 1.0 1.999 6.105 1792 1388 A 39 CYS HA A 38 VAL HA 1.0 2.000 5.988 1793 1389 A 27 SER HA A 28 HIS HA 1.0 1.911 4.399 1794 1390 A 27 SER HA A 26 PHE HA 1.0 1.893 4.257 1795 1391 A 46 ARG HA A 47 PRO HD3 1.0 1.652 3.012 1796 1392 A 19 GLY HA2 A 47 PRO HD3 1.0 1.913 4.425 1797 1393 A 14 CYS HA A 13 SER HB3 1.0 1.996 6.372 1798 1394 A 13 SER HB2 A 14 CYS HA 1.0 1.996 6.356 1799 1395 A 47 PRO HA A 47 PRO HD3 1.0 2.000 5.904 1800 1396 A 47 PRO HA A 48 GLY HA2 1.0 1.998 5.758 1801 1397 A 20 TRP HA A 13 SER HB3 1.0 1.968 5.010 1802 1398 A 13 SER HB2 A 20 TRP HA 1.0 1.984 5.294 1803 1399 A 47 PRO HA A 47 PRO HD2 1.0 1.997 5.725 1804 1400 A 23 PRO HA A 22 ARG HA 1.0 1.989 6.619 1805 1401 A 14 CYS HA A 14 CYS HB2 1.0 1.888 4.222 1806 1402 A 39 CYS HA A 40 GLY HA2 1.0 2.000 5.902 1807 1403 A 26 PHE HA A 26 PHE HB3 1.0 1.921 4.483 1808 1404 A 46 ARG HA A 19 GLY HA3 1.0 1.975 5.137 1809 1405 A 19 GLY HA2 A 19 GLY HA3 1.0 1.674 3.098 1810 1406 A 25 CYS HA A 26 PHE HB3 1.0 1.976 6.900 1811 1407 A 44 CYS HA A 14 CYS HB2 1.0 1.993 6.473 1812 1408 A 18 ARG HD2 A 18 ARG HA 1.0 1.937 4.649 1813 1409 A 21 CYS HB2 A 20 TRP HA 1.0 2.000 5.966 1814 1410 A 21 CYS HB2 A 11 SER HB2 1.0 1.982 6.766 1815 1411 A 8 ASP HA A 8 ASP HB2 1.0 1.886 4.208 1816 1412 A 39 CYS HA A 21 CYS HB3 1.0 1.938 4.646 1817 1413 A 46 ARG HA A 46 ARG HD2 1.0 1.998 5.736 1818 1414 A 47 PRO HG3 A 19 GLY HA2 1.0 1.975 6.921 1819 1415 A 32 ASP HA A 32 ASP HB2 1.0 1.930 4.566 1820 1416 A 46 ARG HB3 A 19 GLY HA2 1.0 1.987 6.651 1821 1417 A 18 ARG HG3 A 18 ARG HA 1.0 1.799 3.665 1822 1418 A 42 TYR HA A 43 ARG HG2 1.0 1.999 6.151 1823 1419 A 25 CYS HA A 24 THR HG2% 1.0 1.999 5.877 1824 1420 A 39 CYS HA A 38 VAL HG1% 1.0 1.991 5.477 1825 1421 A 46 ARG HA A 46 ARG HB2 1.0 1.921 4.489 1826 1422 A 19 GLY HA2 A 46 ARG HB2 1.0 1.944 7.386 1827 1423 A 32 ASP HA A 31 THR HG2% 1.0 1.931 4.589 1828 1424 A 44 CYS HA A 31 THR HG2% 1.0 1.978 6.854 1829 1425 A 43 ARG HA A 31 THR HG2% 1.0 1.916 4.446 1830 1426 A 36 ASN HA A 31 THR HG2% 1.0 1.999 5.803 1831 1427 A 24 THR HA A 31 THR HG2% 1.0 1.924 7.634 1832 1428 A 4 ARG HA A 5 ILE HG2% 1.0 1.957 7.223 1833 1429 A 36 ASN HA A 38 VAL HG1% 1.0 1.997 5.665 1834 1430 A 15 ALA HA A 38 VAL HG2% 1.0 2.000 5.848 1835 1431 A 38 VAL HG1% A 14 CYS HB2 1.0 1.999 5.853 1836 1432 A 38 VAL HG2% A 14 CYS HB2 1.0 1.925 4.521 1837 1433 A 15 ALA HB% A 14 CYS HB2 1.0 1.428 10.850 1838 1434 A 4 ARG HA A 5 ILE HG13 1.0 1.987 6.651 1839 1435 A 43 ARG HG2 A 31 THR HA 1.0 1.985 6.723 1840 1436 A 11 SER HB3 A 10 ASP HB3 1.0 1.890 7.982 1841 1437 A 23 PRO HA A 43 ARG HG2 1.0 1.991 6.543 1842 1438 A 43 ARG HB3 A 31 THR HB 1.0 1.999 5.833 1843 1439 A 6 ARG HA A 6 ARG HG3 1.0 1.952 4.810 1844 1440 A 24 THR HA A 23 PRO HB3 1.0 1.998 5.786 1845 1441 A 6 ARG HA A 6 ARG HB2 1.0 1.867 4.065 1846 1442 A 31 THR HA A 32 ASP HB2 1.0 1.974 5.104 1847 1443 A 24 THR HA A 23 PRO HG2 1.0 1.998 6.256 1848 1444 A 26 PHE HB3 A 29 GLU HG3 1.0 1.991 6.527 1849 1445 A 47 PRO HD2 A 47 PRO HB2 1.0 1.913 4.413 1850 1446 A 48 GLY HA3 A 47 PRO HB2 1.0 1.986 6.680 1851 1447 A 38 VAL HB A 14 CYS HB2 1.0 1.855 8.305 1852 1448 A 15 ALA HA A 16 ASN HB2 1.0 1.999 5.831 1853 1449 A 40 GLY HA3 A 10 ASP HB2 1.0 1.998 6.240 1854 1450 A 12 HIS HB3 A 13 SER HB3 1.0 1.992 5.494 1855 1451 A 12 HIS HB3 A 13 SER HB2 1.0 1.998 5.736 1856 1452 A 14 CYS HB3 A 14 CYS HB2 1.0 1.726 3.312 1857 1453 A 44 CYS HB3 A 14 CYS HB2 1.0 1.959 7.193 1858 1454 A 36 ASN HA A 35 ASN HB3 1.0 1.997 5.691 1859 1455 A 17 ASN HB3 A 13 SER HB3 1.0 1.998 5.732 1860 1456 A 35 ASN HB3 A 14 CYS HB2 1.0 1.798 8.742 1861 1457 A 31 THR HB A 30 TYR HB3 1.0 1.998 5.758 1862 1458 A 24 THR HA A 23 PRO HD2 1.0 1.995 6.367 1863 1459 A 13 SER HB2 A 12 HIS HB2 1.0 1.962 7.146 1864 1460 A 48 GLY HA3 A 48 GLY HA2 1.0 1.385 2.179 1865 1461 A 41 SER HA A 41 SER HB3 1.0 1.805 3.695 1866 1462 A 11 SER HA A 11 SER HB2 1.0 1.720 3.284 1867 1463 A 34 PHE HB2 A 19 GLY HA3 1.0 1.924 7.636 1868 1464 A 12 HIS HB3 A 12 HIS HB2 1.0 1.686 3.146 1869 1465 A 21 CYS HB3 A 42 TYR HB2 1.0 1.863 4.047 1870 1466 A 46 ARG HD2 A 19 GLY HA3 1.0 1.998 5.804 1871 1467 A 20 TRP HB2 A 19 GLY HA3 1.0 1.955 7.247 1872 1468 A 42 TYR HB2 A 39 CYS HB2 1.0 1.869 4.087 1873 1469 A 21 CYS HB3 A 21 CYS HB2 1.0 1.645 2.985 1874 1470 A 45 CYS HB2 A 25 CYS HB2 1.0 1.996 5.628 1875 1471 A 39 CYS HB3 A 42 TYR HB2 1.0 1.970 5.054 1876 1472 A 8 ASP HB2 A 8 ASP HB3 1.0 1.404 2.228 1877 1473 A 39 CYS HB3 A 39 CYS HB2 1.0 1.495 2.485 1878 1474 A 26 PHE HB3 A 26 PHE HB2 1.0 1.801 3.675 1879 1475 A 44 CYS HB3 A 35 ASN HB2 1.0 1.970 5.046 1880 1476 A 45 CYS HB3 A 29 GLU HB2 1.0 1.968 5.026 1881 1477 A 45 CYS HB2 A 29 GLU HB2 1.0 1.988 5.382 1882 1478 A 35 ASN HB2 A 44 CYS HB2 1.0 1.956 4.860 1883 1479 A 23 PRO HD2 A 23 PRO HB2 1.0 1.968 5.012 1884 1480 A 26 PHE HB3 A 29 GLU HG2 1.0 1.921 7.673 1885 1481 A 16 ASN HB3 A 18 ARG HG3 1.0 1.875 8.125 1886 1482 A 45 CYS HB2 A 29 GLU HG2 1.0 1.992 6.502 1887 1483 A 45 CYS HB3 A 29 GLU HG2 1.0 1.998 6.218 1888 1484 A 29 GLU HB3 A 30 TYR HB2 1.0 1.975 6.929 1889 1485 A 45 CYS HB2 A 29 GLU HB3 1.0 1.931 4.587 1890 1486 A 15 ALA HB% A 19 GLY HA3 1.0 1.909 4.385 1891 1487 A 15 ALA HB% A 18 ARG HD3 1.0 2.000 5.928 1892 1488 A 16 ASN HB3 A 15 ALA HB% 1.0 1.882 8.058 1893 1489 A 43 ARG HD3 A 24 THR HG2% 1.0 1.996 5.638 1894 1490 A 38 VAL HG2% A 35 ASN HB3 1.0 1.998 6.262 1895 1491 A 38 VAL HG1% A 35 ASN HB3 1.0 1.993 6.473 1896 1492 A 37 ASP HB3 A 38 VAL HG1% 1.0 1.976 5.154 1897 1493 A 5 ILE HG2% A 8 ASP HB3 1.0 1.659 9.641 1898 1494 A 19 GLY HA3 A 46 ARG HB2 1.0 1.930 7.558 1899 1495 A 32 ASP HB3 A 31 THR HG2% 1.0 2.000 6.042 1900 1496 A 32 ASP HB2 A 31 THR HG2% 1.0 1.573 10.125 1901 1497 A 32 ASP HB3 A 46 ARG HB2 1.0 1.943 7.399 1902 1498 A 32 ASP HB2 A 46 ARG HB2 1.0 1.826 8.532 1903 1499 A 5 ILE HB A 5 ILE HD1% 1.0 1.956 4.848 1904 1500 A 23 PRO HB2 A 24 THR HG2% 1.0 1.998 5.742 1905 1501 A 38 VAL HB A 38 VAL HG2% 1.0 1.684 3.138 1906 1502 A 15 ALA HB% A 18 ARG HG3 1.0 1.992 5.486 1907 1503 A 32 ASP HB2 A 46 ARG HG3 1.0 1.989 5.421 1908 1504 A 46 ARG HG2 A 32 ASP HB2 1.0 1.994 5.570 1909 1505 A 22 ARG HB3 A 23 PRO HG2 1.0 1.998 5.774 1910 1506 A 15 ALA HB% A 16 ASN HB2 1.0 1.974 6.934 1911 1507 A 6 ARG HG2 A 6 ARG HB3 1.0 1.670 3.080 1912 1508 A 6 ARG HG2 A 6 ARG HB2 1.0 0.000 6.000 1913 1509 A 16 ASN HB2 A 18 ARG HG2 1.0 1.955 7.237 1914 1510 A 16 ASN HB2 A 18 ARG HG3 1.0 1.976 6.884 1915 1511 A 39 CYS HB3 A 10 ASP HB2 1.0 1.993 6.483 1916 1512 A 47 PRO HG3 A 47 PRO HG2 1.0 1.512 2.538 1917 1513 A 47 PRO HB2 A 47 PRO HG2 1.0 1.671 3.087 1918 1514 A 3 GLN HB3 A 3 GLN HB2 1.0 1.383 2.175 1919 1515 A 5 ILE HG2% A 5 ILE HG12 1.0 1.883 4.183 1920 1516 A 5 ILE HG13 A 5 ILE HD1% 1.0 1.982 5.256 1921 1517 A 5 ILE HG2% A 5 ILE HG13 1.0 1.899 4.297 1922 1518 A 39 CYS H A 2 TYR H 1.0 1.998 6.236 1923 1519 A 24 THR H A 26 PHE H 1.0 1.940 7.448 1924 1520 A 17 ASN HD21 A 16 ASN H 1.0 0.000 6.000 1925 1521 A 48 GLY HA2 A 30 TYR H 1.0 2.000 5.880 1926 1522 A 20 TRP HA A 20 TRP HZ2 1.0 0.000 6.000 1927 1523 A 36 ASN HD22 A 37 ASP HA 1.0 1.987 6.663 1928 1524 A 39 CYS H A 36 ASN HA 1.0 1.947 4.757 1929 1525 A 36 ASN HB3 A 36 ASN HD22 1.0 1.761 3.469 1930 1526 A 18 ARG H A 46 ARG HD2 1.0 1.964 7.108 1931 1527 A 10 ASP HB2 A 42 TYR HD2 1.0 1.783 3.581 1932 1527 A 10 ASP HB2 A 42 TYR HD1 1.0 1.783 3.581 1933 1528 A 38 VAL HG1% A 35 ASN H 1.0 2.000 6.014 1934 1529 A 8 ASP HA A 9 HIS HB3 1.0 2.000 6.146 1935 1530 A 40 GLY HA2 A 41 SER HA 1.0 1.997 6.305 1936 1531 A 34 PHE HA A 33 TRP HB2 1.0 2.000 5.950 1937 1532 A 14 CYS HA A 14 CYS HB3 1.0 1.687 3.149 1938 1533 A 46 ARG HA A 29 GLU HG2 1.0 1.982 6.758 1939 1534 A 49 ARG HA A 49 ARG HB3 1.0 1.792 3.626 1940 1535 A 13 SER HA A 13 SER HB2 1.0 1.519 2.557 1941 1536 A 10 ASP HB2 A 42 TYR HB2 1.0 1.961 4.919 1942 1537 A 44 CYS HB3 A 32 ASP HB3 1.0 1.872 4.110 1943 1538 A 32 ASP HB3 A 46 ARG HD2 1.0 1.914 4.424 1944 1539 A 32 ASP HB3 A 44 CYS HB2 1.0 1.875 4.123 1945 1540 A 44 CYS HB3 A 32 ASP HB2 1.0 1.951 4.791 1946 1541 A 45 CYS HB2 A 29 GLU HG3 1.0 2.000 6.064 1947 1542 A 44 CYS HB2 A 32 ASP HB2 1.0 1.934 4.614 1948 1543 A 36 ASN HB2 A 35 ASN HB2 1.0 1.995 6.377 1949 1544 A 26 PHE HB2 A 29 GLU HB2 1.0 1.999 5.799 1950 1545 A 15 ALA HB% A 14 CYS HB3 1.0 1.944 4.710 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-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 20 TRP H A 45 CYS O 1.0 1.730 2.700 2 2 A 45 CYS H A 20 TRP O 1.0 1.730 2.700 3 3 A 22 ARG H A 43 ARG O 1.0 1.730 2.700 4 4 A 43 ARG H A 22 ARG O 1.0 1.730 2.700 5 5 A 48 GLY H A 28 HIS O 1.0 1.730 2.700 6 6 A 30 TYR H A 46 ARG O 1.0 1.730 2.700 7 7 A 46 ARG H A 30 TYR O 1.0 1.730 2.700 8 8 A 32 ASP H A 44 CYS O 1.0 1.730 2.700 9 9 A 44 CYS H A 32 ASP O 1.0 1.730 2.700 10 10 A 19 GLY O A 14 CYS N 1.0 2.516 3.927 11 11 A 22 ARG O A 43 ARG N 1.0 2.516 3.927 12 12 A 20 TRP O A 45 CYS N 1.0 2.516 3.927 13 13 A 28 HIS O A 48 GLY N 1.0 2.516 3.927 14 14 A 45 CYS O A 20 TRP N 1.0 2.516 3.927 15 15 A 43 ARG O A 22 ARG N 1.0 2.516 3.927 16 16 A 30 TYR O A 46 ARG N 1.0 2.516 3.927 17 17 A 46 ARG O A 30 TYR N 1.0 2.516 3.927 18 18 A 44 CYS O A 32 ASP N 1.0 2.516 3.927 19 19 A 32 ASP O A 44 CYS N 1.0 2.516 3.927 20 20 A 37 ASP H A 33 TRP O 1.0 1.730 2.700 21 21 A 38 VAL H A 34 PHE O 1.0 1.730 2.700 22 22 A 39 CYS H A 35 ASN O 1.0 1.730 2.700 23 23 A 35 ASN O A 39 CYS N 1.0 2.516 3.927 24 24 A 14 CYS H A 19 GLY O 1.0 1.730 2.700 25 25 A 33 TRP O A 37 ASP N 1.0 2.516 3.927 26 26 A 34 PHE O A 38 VAL N 1.0 2.516 3.927 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 TYR C A 3 GLN N A 3 GLN CA A 3 GLN C 1.0 -150.0 -79.94 PHI 2 2 A 3 GLN N A 3 GLN CA A 3 GLN C A 4 ARG N 1.0 100.0 152.88 PSI 3 3 A 3 GLN C A 4 ARG N A 4 ARG CA A 4 ARG C 1.0 -160.0 -76.80 PHI 4 4 A 4 ARG N A 4 ARG CA A 4 ARG C A 5 ILE N 1.0 100.0 155.66 PSI 5 5 A 4 ARG C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -150.0 -86.78 PHI 6 6 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 ARG N 1.0 100.0 166.94 PSI 7 7 A 5 ILE C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -160.0 -63.64 PHI 8 8 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 SER N 1.0 100.0 155.42 PSI 9 9 A 6 ARG C A 7 SER N A 7 SER CA A 7 SER C 1.0 -160.0 -89.18 PHI 10 10 A 7 SER N A 7 SER CA A 7 SER C A 8 ASP N 1.0 100.0 172.06 PSI 11 11 A 7 SER C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -160.0 2.38 PHI 12 12 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 HIS N 1.0 100.0 168.28 PSI 13 13 A 9 HIS C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -180.0 -1.84 PHI 14 14 A 10 ASP N A 10 ASP CA A 10 ASP C A 11 SER N 1.0 100.0 182.08 PSI 15 15 A 10 ASP C A 11 SER N A 11 SER CA A 11 SER C 1.0 -170.0 -106.90 PHI 16 16 A 11 SER N A 11 SER CA A 11 SER C A 12 HIS N 1.0 110.0 197.74 PSI 17 17 A 11 SER C A 12 HIS N A 12 HIS CA A 12 HIS C 1.0 -140.0 -9.26 PHI 18 18 A 12 HIS N A 12 HIS CA A 12 HIS C A 13 SER N 1.0 100.0 171.04 PSI 19 19 A 13 SER C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -170.0 -92.76 PHI 20 20 A 14 CYS N A 14 CYS CA A 14 CYS C A 15 ALA N 1.0 130.0 180.88 PSI 21 21 A 17 ASN C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -120.0 -52.52 PHI 22 22 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 GLY N 1.0 -40.0 29.90 PSI 23 23 A 18 ARG C A 19 GLY N A 19 GLY CA A 19 GLY C 1.0 -180.0 26.54 PHI 24 24 A 19 GLY N A 19 GLY CA A 19 GLY C A 20 TRP N 1.0 100.0 202.42 PSI 25 25 A 19 GLY C A 20 TRP N A 20 TRP CA A 20 TRP C 1.0 -180.0 -33.82 PHI 26 26 A 20 TRP N A 20 TRP CA A 20 TRP C A 21 CYS N 1.0 90.0 179.20 PSI 27 27 A 20 TRP C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -150.0 -62.50 PHI 28 28 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 ARG N 1.0 100.0 185.04 PSI 29 29 A 21 CYS C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -170.0 -96.14 PHI 30 30 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 PRO N 1.0 100.0 194.26 PSI 31 31 A 22 ARG C A 23 PRO N A 23 PRO CA A 23 PRO C 1.0 -110.0 -35.90 PHI 32 32 A 23 PRO N A 23 PRO CA A 23 PRO C A 24 THR N 1.0 120.0 188.70 PSI 33 33 A 23 PRO C A 24 THR N A 24 THR CA A 24 THR C 1.0 -180.0 -90.72 PHI 34 34 A 24 THR N A 24 THR CA A 24 THR C A 25 CYS N 1.0 100.0 202.28 PSI 35 35 A 24 THR C A 25 CYS N A 25 CYS CA A 25 CYS C 1.0 -130.0 -28.58 PHI 36 36 A 25 CYS N A 25 CYS CA A 25 CYS C A 26 PHE N 1.0 -50.0 23.36 PSI 37 37 A 25 CYS C A 26 PHE N A 26 PHE CA A 26 PHE C 1.0 -120.0 -48.42 PHI 38 38 A 26 PHE N A 26 PHE CA A 26 PHE C A 27 SER N 1.0 -50.0 19.92 PSI 39 39 A 27 SER C A 28 HIS N A 28 HIS CA A 28 HIS C 1.0 -180.0 -40.64 PHI 40 40 A 28 HIS N A 28 HIS CA A 28 HIS C A 29 GLU N 1.0 90.0 163.64 PSI 41 41 A 28 HIS C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -160.0 -80.32 PHI 42 42 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 TYR N 1.0 100.0 179.34 PSI 43 43 A 29 GLU C A 30 TYR N A 30 TYR CA A 30 TYR C 1.0 -160.0 -75.12 PHI 44 44 A 30 TYR N A 30 TYR CA A 30 TYR C A 31 THR N 1.0 100.0 176.76 PSI 45 45 A 30 TYR C A 31 THR N A 31 THR CA A 31 THR C 1.0 -140.0 -66.90 PHI 46 46 A 31 THR N A 31 THR CA A 31 THR C A 32 ASP N 1.0 90.0 158.84 PSI 47 47 A 31 THR C A 32 ASP N A 32 ASP CA A 32 ASP C 1.0 -150.0 -83.18 PHI 48 48 A 32 ASP N A 32 ASP CA A 32 ASP C A 33 TRP N 1.0 100.0 166.50 PSI 49 49 A 35 ASN C A 36 ASN N A 36 ASN CA A 36 ASN C 1.0 -100.0 -12.10 PHI 50 50 A 36 ASN N A 36 ASN CA A 36 ASN C A 37 ASP N 1.0 110.0 162.34 PSI 51 51 A 36 ASN C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -120.0 -34.88 PHI 52 52 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 VAL N 1.0 -50.0 10.88 PSI 53 53 A 42 TYR C A 43 ARG N A 43 ARG CA A 43 ARG C 1.0 -110.0 -25.12 PHI 54 54 A 43 ARG N A 43 ARG CA A 43 ARG C A 44 CYS N 1.0 -70.0 17.80 PSI 55 55 A 45 CYS C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -180.0 3.60 PHI 56 56 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 PRO N 1.0 50.0 242.06 PSI stop_ save_