data_nef_c30556_6nl3 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 6NL3 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 46 CYS SG 1 24 CYS SG 1 35 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -1 GLY start . false 2 A 0 SER middle . . 3 A 1 MET middle . . 4 A 2 ALA middle . . 5 A 3 ALA middle . . 6 A 4 PRO middle . false 7 A 5 SER middle . . 8 A 6 MET middle . . 9 A 7 LYS middle . . 10 A 8 GLU middle . . 11 A 9 ARG middle . . 12 A 10 GLN middle . . 13 A 11 VAL middle . . 14 A 12 CYS middle -HG . 15 A 13 TRP middle . . 16 A 14 GLY middle . false 17 A 15 ALA middle . . 18 A 16 ARG middle . . 19 A 17 ASP middle . . 20 A 18 GLU middle . . 21 A 19 TYR middle . . 22 A 20 TRP middle . . 23 A 21 LYS middle . . 24 A 22 CYS middle -HG . 25 A 23 LEU middle . . 26 A 24 ASP middle . . 27 A 25 GLU middle . . 28 A 26 ASN middle . . 29 A 27 LEU middle . . 30 A 28 GLU middle . . 31 A 29 ASP middle . . 32 A 30 ALA middle . . 33 A 31 SER middle . . 34 A 32 GLN middle . . 35 A 33 CYS middle -HG . 36 A 34 LYS middle . . 37 A 35 LYS middle . . 38 A 36 LEU middle . . 39 A 37 ARG middle . . 40 A 38 SER middle . . 41 A 39 SER middle . . 42 A 40 PHE middle . . 43 A 41 GLU middle . . 44 A 42 SER middle . . 45 A 43 SER middle . . 46 A 44 CYS middle -HG . 47 A 45 PRO middle . false 48 A 46 GLN middle . . 49 A 47 GLN middle . . 50 A 48 TRP middle . . 51 A 49 ILE middle . . 52 A 50 LYS middle . . 53 A 51 TYR middle . . 54 A 52 PHE middle . . 55 A 53 ASP middle . . 56 A 54 LYS middle . . 57 A 55 ARG middle . . 58 A 56 ARG middle . . 59 A 57 ASP middle . . 60 A 58 TYR middle . . 61 A 59 LEU middle . . 62 A 60 LYS middle . . 63 A 61 PHE middle . . 64 A 62 LYS middle . . 65 A 63 GLU middle . . 66 A 64 LYS middle . . 67 A 65 PHE middle . . 68 A 66 GLU middle . . 69 A 67 ALA middle . . 70 A 68 GLY middle . false 71 A 69 GLN middle . . 72 A 70 PHE middle . . 73 A 71 GLU middle . . 74 A 72 PRO middle . false 75 A 73 SER middle . . 76 A 74 GLU middle . . 77 A 75 THR middle . . 78 A 76 THR middle . . 79 A 77 ALA middle . . 80 A 78 LYS middle . . 81 A 79 SER end . . 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 MET HA H 1 4.476 0.020 A 1 MET HBx H 1 1.994 0.020 A 1 MET HBy H 1 2.018 0.020 A 1 MET HE% H 1 2.091 0.020 A 1 MET HGx H 1 2.524 0.020 A 1 MET HGy H 1 2.601 0.020 A 1 MET C C 13 175.649 0.400 A 1 MET CA C 13 55.422 0.400 A 1 MET CB C 13 33.475 0.400 A 1 MET CE C 13 17.039 0.400 A 1 MET CG C 13 32.056 0.400 A 2 ALA H H 1 8.294 0.020 A 2 ALA HA H 1 4.297 0.020 A 2 ALA HB% H 1 1.351 0.020 A 2 ALA C C 13 176.952 0.400 A 2 ALA CA C 13 52.344 0.400 A 2 ALA CB C 13 19.378 0.400 A 2 ALA N N 15 125.701 0.400 A 3 ALA H H 1 8.293 0.020 A 3 ALA HA H 1 4.510 0.020 A 3 ALA HB% H 1 1.324 0.020 A 3 ALA C C 13 175.437 0.400 A 3 ALA CA C 13 50.438 0.400 A 3 ALA CB C 13 18.195 0.400 A 3 ALA N N 15 124.517 0.400 A 6 MET HE% H 1 1.945 0.020 A 6 MET CE C 13 16.879 0.400 A 8 GLU C C 13 179.542 0.400 A 9 ARG H H 1 8.342 0.020 A 9 ARG C C 13 176.722 0.400 A 9 ARG N N 15 120.437 0.400 A 10 GLN H H 1 7.987 0.020 A 10 GLN HA H 1 4.007 0.020 A 10 GLN HBx H 1 2.240 0.020 A 10 GLN HBy H 1 2.240 0.020 A 10 GLN HE2x H 1 6.882 0.020 A 10 GLN HE2y H 1 7.465 0.020 A 10 GLN HGx H 1 2.486 0.020 A 10 GLN HGy H 1 2.486 0.020 A 10 GLN C C 13 179.674 0.400 A 10 GLN CA C 13 59.281 0.400 A 10 GLN CB C 13 28.254 0.400 A 10 GLN CG C 13 33.908 0.400 A 10 GLN N N 15 117.483 0.400 A 10 GLN NE2 N 15 111.528 0.400 A 11 VAL H H 1 8.047 0.020 A 11 VAL HA H 1 3.804 0.020 A 11 VAL HB H 1 2.185 0.020 A 11 VAL HG1% H 1 1.055 0.020 A 11 VAL HG2% H 1 1.106 0.020 A 11 VAL C C 13 178.666 0.400 A 11 VAL CA C 13 66.113 0.400 A 11 VAL CB C 13 31.818 0.400 A 11 VAL CG1 C 13 20.972 0.400 A 11 VAL CG2 C 13 22.629 0.400 A 11 VAL N N 15 120.525 0.400 A 12 CYS H H 1 7.812 0.020 A 12 CYS HA H 1 4.416 0.020 A 12 CYS HBy H 1 3.850 0.020 A 12 CYS HBx H 1 3.026 0.020 A 12 CYS C C 13 175.833 0.400 A 12 CYS CA C 13 58.693 0.400 A 12 CYS CB C 13 37.566 0.400 A 12 CYS N N 15 118.756 0.400 A 13 TRP H H 1 8.998 0.020 A 13 TRP HA H 1 4.101 0.020 A 13 TRP HBx H 1 3.271 0.020 A 13 TRP HBy H 1 3.271 0.020 A 13 TRP HD1 H 1 7.070 0.020 A 13 TRP HE1 H 1 10.363 0.020 A 13 TRP HZ2 H 1 7.487 0.020 A 13 TRP C C 13 178.614 0.400 A 13 TRP CA C 13 60.127 0.400 A 13 TRP CB C 13 28.566 0.400 A 13 TRP CD1 C 13 124.630 0.400 A 13 TRP CZ2 C 13 114.728 0.400 A 13 TRP N N 15 120.977 0.400 A 13 TRP NE1 N 15 129.742 0.400 A 14 GLY H H 1 8.328 0.020 A 14 GLY HAx H 1 3.940 0.020 A 14 GLY HAy H 1 3.940 0.020 A 14 GLY C C 13 176.047 0.400 A 14 GLY CA C 13 47.402 0.400 A 14 GLY N N 15 104.596 0.400 A 15 ALA H H 1 7.934 0.020 A 15 ALA HA H 1 4.224 0.020 A 15 ALA HB% H 1 1.623 0.020 A 15 ALA C C 13 181.453 0.400 A 15 ALA CA C 13 54.798 0.400 A 15 ALA CB C 13 18.487 0.400 A 15 ALA N N 15 125.020 0.400 A 16 ARG H H 1 8.748 0.020 A 16 ARG HA H 1 2.499 0.020 A 16 ARG HBx H 1 1.286 0.020 A 16 ARG HBy H 1 1.286 0.020 A 16 ARG HDx H 1 0.458 0.020 A 16 ARG HDy H 1 0.458 0.020 A 16 ARG HE H 1 5.812 0.020 A 16 ARG HGx H 1 -0.675 0.020 A 16 ARG HGy H 1 -0.159 0.020 A 16 ARG C C 13 176.805 0.400 A 16 ARG CA C 13 58.752 0.400 A 16 ARG CB C 13 28.103 0.400 A 16 ARG CD C 13 40.811 0.400 A 16 ARG CG C 13 23.468 0.400 A 16 ARG N N 15 122.232 0.400 A 16 ARG NE N 15 82.174 0.400 A 17 ASP H H 1 8.337 0.020 A 17 ASP HA H 1 4.168 0.020 A 17 ASP HBy H 1 2.854 0.020 A 17 ASP HBx H 1 2.626 0.020 A 17 ASP C C 13 179.674 0.400 A 17 ASP CA C 13 57.858 0.400 A 17 ASP CB C 13 39.321 0.400 A 17 ASP N N 15 119.053 0.400 A 18 GLU H H 1 8.121 0.020 A 18 GLU HA H 1 4.060 0.020 A 18 GLU HBx H 1 2.110 0.020 A 18 GLU HBy H 1 2.110 0.020 A 18 GLU HGx H 1 2.365 0.020 A 18 GLU HGy H 1 2.468 0.020 A 18 GLU C C 13 179.178 0.400 A 18 GLU CA C 13 59.520 0.400 A 18 GLU CB C 13 29.856 0.400 A 18 GLU CG C 13 36.841 0.400 A 18 GLU N N 15 119.964 0.400 A 19 TYR H H 1 7.726 0.020 A 19 TYR HA H 1 4.358 0.020 A 19 TYR HBy H 1 2.913 0.020 A 19 TYR HBx H 1 2.767 0.020 A 19 TYR HD1 H 1 6.686 0.020 A 19 TYR HD2 H 1 6.686 0.020 A 19 TYR HE1 H 1 6.667 0.020 A 19 TYR HE2 H 1 6.667 0.020 A 19 TYR C C 13 176.513 0.400 A 19 TYR CA C 13 61.348 0.400 A 19 TYR CB C 13 37.904 0.400 A 19 TYR CD1 C 13 133.439 0.400 A 19 TYR CE1 C 13 118.056 0.400 A 19 TYR N N 15 121.117 0.400 A 20 TRP H H 1 9.025 0.020 A 20 TRP HA H 1 4.002 0.020 A 20 TRP HBy H 1 3.279 0.020 A 20 TRP HBx H 1 3.155 0.020 A 20 TRP HE1 H 1 10.092 0.020 A 20 TRP HZ2 H 1 7.367 0.020 A 20 TRP C C 13 177.687 0.400 A 20 TRP CA C 13 58.818 0.400 A 20 TRP CB C 13 28.716 0.400 A 20 TRP CZ2 C 13 114.176 0.400 A 20 TRP N N 15 120.546 0.400 A 20 TRP NE1 N 15 127.800 0.400 A 21 LYS C C 13 176.671 0.400 A 22 CYS H H 1 8.436 0.020 A 22 CYS HA H 1 4.199 0.020 A 22 CYS HBx H 1 2.604 0.020 A 22 CYS HBy H 1 2.604 0.020 A 22 CYS C C 13 177.394 0.400 A 22 CYS CA C 13 57.839 0.400 A 22 CYS CB C 13 32.450 0.400 A 22 CYS N N 15 119.435 0.400 A 23 LEU H H 1 8.018 0.020 A 23 LEU HA H 1 4.342 0.020 A 23 LEU HBx H 1 1.673 0.020 A 23 LEU HBy H 1 1.673 0.020 A 23 LEU HDx% H 1 0.739 0.020 A 23 LEU HDy% H 1 0.754 0.020 A 23 LEU HG H 1 1.722 0.020 A 23 LEU C C 13 176.846 0.400 A 23 LEU CA C 13 58.549 0.400 A 23 LEU CB C 13 42.425 0.400 A 23 LEU CD1 C 13 25.580 0.400 A 23 LEU CD2 C 13 22.547 0.400 A 23 LEU CG C 13 27.135 0.400 A 23 LEU N N 15 119.871 0.400 A 24 ASP H H 1 8.317 0.020 A 24 ASP HA H 1 4.275 0.020 A 24 ASP HBy H 1 3.000 0.020 A 24 ASP HBx H 1 2.647 0.020 A 24 ASP C C 13 179.977 0.400 A 24 ASP CA C 13 57.260 0.400 A 24 ASP CB C 13 40.233 0.400 A 24 ASP N N 15 120.584 0.400 A 25 GLU H H 1 8.105 0.020 A 25 GLU HA H 1 4.117 0.020 A 25 GLU HBx H 1 2.088 0.020 A 25 GLU HBy H 1 2.088 0.020 A 25 GLU HGy H 1 2.512 0.020 A 25 GLU HGx H 1 2.288 0.020 A 25 GLU C C 13 177.089 0.400 A 25 GLU CA C 13 58.033 0.400 A 25 GLU CB C 13 30.272 0.400 A 25 GLU CG C 13 36.590 0.400 A 25 GLU N N 15 118.788 0.400 A 26 ASN H H 1 7.668 0.020 A 26 ASN HA H 1 4.969 0.020 A 26 ASN HBy H 1 2.895 0.020 A 26 ASN HBx H 1 2.479 0.020 A 26 ASN HD2y H 1 7.859 0.020 A 26 ASN HD2x H 1 7.454 0.020 A 26 ASN C C 13 174.571 0.400 A 26 ASN CA C 13 53.340 0.400 A 26 ASN CB C 13 39.542 0.400 A 26 ASN N N 15 115.906 0.400 A 26 ASN ND2 N 15 120.233 0.400 A 27 LEU H H 1 7.910 0.020 A 27 LEU HA H 1 4.128 0.020 A 27 LEU HBy H 1 1.809 0.020 A 27 LEU HBx H 1 1.582 0.020 A 27 LEU HDx% H 1 0.909 0.020 A 27 LEU HDy% H 1 0.870 0.020 A 27 LEU HG H 1 1.617 0.020 A 27 LEU C C 13 177.328 0.400 A 27 LEU CA C 13 56.551 0.400 A 27 LEU CB C 13 39.255 0.400 A 27 LEU CD1 C 13 25.313 0.400 A 27 LEU CD2 C 13 23.434 0.400 A 27 LEU CG C 13 27.157 0.400 A 27 LEU N N 15 119.998 0.400 A 28 GLU H H 1 9.014 0.020 A 28 GLU HA H 1 3.547 0.020 A 28 GLU HBy H 1 2.334 0.020 A 28 GLU HBx H 1 1.965 0.020 A 28 GLU HGx H 1 2.175 0.020 A 28 GLU HGy H 1 2.175 0.020 A 28 GLU C C 13 176.152 0.400 A 28 GLU CA C 13 57.183 0.400 A 28 GLU CB C 13 29.541 0.400 A 28 GLU CG C 13 36.552 0.400 A 28 GLU N N 15 113.701 0.400 A 29 ASP H H 1 7.494 0.020 A 29 ASP HA H 1 4.698 0.020 A 29 ASP HBy H 1 3.018 0.020 A 29 ASP HBx H 1 2.666 0.020 A 29 ASP C C 13 175.738 0.400 A 29 ASP CA C 13 53.130 0.400 A 29 ASP CB C 13 39.892 0.400 A 29 ASP N N 15 118.486 0.400 A 30 ALA H H 1 8.369 0.020 A 30 ALA HA H 1 3.774 0.020 A 30 ALA HB% H 1 1.521 0.020 A 30 ALA C C 13 180.711 0.400 A 30 ALA CA C 13 54.551 0.400 A 30 ALA CB C 13 18.570 0.400 A 30 ALA N N 15 128.011 0.400 A 31 SER H H 1 8.478 0.020 A 31 SER HA H 1 4.234 0.020 A 31 SER HBx H 1 4.051 0.020 A 31 SER HBy H 1 4.051 0.020 A 31 SER C C 13 176.514 0.400 A 31 SER CA C 13 61.882 0.400 A 31 SER CB C 13 62.630 0.400 A 31 SER N N 15 116.010 0.400 A 32 GLN H H 1 7.636 0.020 A 32 GLN HA H 1 4.301 0.020 A 32 GLN HBx H 1 1.931 0.020 A 32 GLN HBy H 1 1.931 0.020 A 32 GLN HE2x H 1 6.897 0.020 A 32 GLN HE2y H 1 7.450 0.020 A 32 GLN HGx H 1 2.167 0.020 A 32 GLN HGy H 1 2.167 0.020 A 32 GLN CA C 13 55.686 0.400 A 32 GLN CB C 13 29.463 0.400 A 32 GLN CG C 13 33.721 0.400 A 32 GLN N N 15 119.347 0.400 A 32 GLN NE2 N 15 111.775 0.400 A 33 CYS H H 1 8.124 0.020 A 33 CYS HA H 1 4.138 0.020 A 33 CYS HBx H 1 1.919 0.020 A 33 CYS HBy H 1 1.919 0.020 A 33 CYS C C 13 178.037 0.400 A 33 CYS CA C 13 59.538 0.400 A 33 CYS CB C 13 32.006 0.400 A 33 CYS N N 15 119.681 0.400 A 34 LYS H H 1 7.435 0.020 A 34 LYS HA H 1 4.115 0.020 A 34 LYS HBx H 1 1.964 0.020 A 34 LYS HBy H 1 1.964 0.020 A 34 LYS HDx H 1 1.791 0.020 A 34 LYS HDy H 1 1.791 0.020 A 34 LYS HEx H 1 3.046 0.020 A 34 LYS HEy H 1 3.046 0.020 A 34 LYS HGx H 1 1.541 0.020 A 34 LYS HGy H 1 1.649 0.020 A 34 LYS CA C 13 60.641 0.400 A 34 LYS CB C 13 32.817 0.400 A 34 LYS CD C 13 29.363 0.400 A 34 LYS CE C 13 41.986 0.400 A 34 LYS CG C 13 25.201 0.400 A 34 LYS N N 15 118.965 0.400 A 35 LYS H H 1 8.780 0.020 A 35 LYS HA H 1 4.255 0.020 A 35 LYS HBx H 1 1.927 0.020 A 35 LYS HBy H 1 1.927 0.020 A 35 LYS HDx H 1 1.757 0.020 A 35 LYS HDy H 1 1.757 0.020 A 35 LYS HEx H 1 2.997 0.020 A 35 LYS HEy H 1 2.997 0.020 A 35 LYS HGx H 1 1.590 0.020 A 35 LYS HGy H 1 1.590 0.020 A 35 LYS C C 13 179.851 0.400 A 35 LYS CA C 13 59.971 0.400 A 35 LYS CB C 13 31.590 0.400 A 35 LYS CD C 13 29.309 0.400 A 35 LYS CE C 13 42.253 0.400 A 35 LYS CG C 13 25.295 0.400 A 35 LYS N N 15 121.083 0.400 A 36 LEU H H 1 7.807 0.020 A 36 LEU HA H 1 4.351 0.020 A 36 LEU HBy H 1 2.096 0.020 A 36 LEU HBx H 1 1.640 0.020 A 36 LEU HDx% H 1 1.103 0.020 A 36 LEU HDy% H 1 1.003 0.020 A 36 LEU HG H 1 1.867 0.020 A 36 LEU C C 13 180.790 0.400 A 36 LEU CA C 13 56.917 0.400 A 36 LEU CB C 13 42.331 0.400 A 36 LEU CD1 C 13 26.431 0.400 A 36 LEU CD2 C 13 23.499 0.400 A 36 LEU CG C 13 27.983 0.400 A 36 LEU N N 15 119.781 0.400 A 37 ARG H H 1 8.902 0.020 A 37 ARG HA H 1 3.472 0.020 A 37 ARG HBx H 1 2.284 0.020 A 37 ARG HBy H 1 2.284 0.020 A 37 ARG HDx H 1 2.714 0.020 A 37 ARG HDy H 1 2.714 0.020 A 37 ARG HGx H 1 1.356 0.020 A 37 ARG HGy H 1 1.356 0.020 A 37 ARG C C 13 178.117 0.400 A 37 ARG CA C 13 58.050 0.400 A 37 ARG CB C 13 28.271 0.400 A 37 ARG CD C 13 41.509 0.400 A 37 ARG CG C 13 24.827 0.400 A 37 ARG N N 15 124.394 0.400 A 38 SER H H 1 8.092 0.020 A 38 SER HA H 1 4.319 0.020 A 38 SER HBx H 1 4.050 0.020 A 38 SER HBy H 1 4.050 0.020 A 38 SER C C 13 177.633 0.400 A 38 SER CA C 13 62.208 0.400 A 38 SER CB C 13 62.302 0.400 A 38 SER N N 15 115.744 0.400 A 39 SER H H 1 7.895 0.020 A 39 SER HA H 1 4.319 0.020 A 39 SER HBx H 1 3.965 0.020 A 39 SER HBy H 1 3.965 0.020 A 39 SER C C 13 176.632 0.400 A 39 SER CA C 13 61.726 0.400 A 39 SER CB C 13 62.699 0.400 A 39 SER N N 15 116.877 0.400 A 40 PHE H H 1 7.982 0.020 A 40 PHE HA H 1 4.331 0.020 A 40 PHE HBx H 1 3.023 0.020 A 40 PHE HBy H 1 3.277 0.020 A 40 PHE HD1 H 1 7.035 0.020 A 40 PHE HD2 H 1 7.035 0.020 A 40 PHE C C 13 176.039 0.400 A 40 PHE CA C 13 59.367 0.400 A 40 PHE CB C 13 38.900 0.400 A 40 PHE CD1 C 13 131.435 0.400 A 40 PHE N N 15 124.939 0.400 A 41 GLU H H 1 8.401 0.020 A 41 GLU HA H 1 3.669 0.020 A 41 GLU HBx H 1 2.030 0.020 A 41 GLU HBy H 1 2.030 0.020 A 41 GLU HGy H 1 2.359 0.020 A 41 GLU HGx H 1 1.952 0.020 A 41 GLU C C 13 178.270 0.400 A 41 GLU CA C 13 58.748 0.400 A 41 GLU CB C 13 29.258 0.400 A 41 GLU CG C 13 37.187 0.400 A 41 GLU N N 15 116.356 0.400 A 42 SER H H 1 7.913 0.020 A 42 SER HA H 1 4.449 0.020 A 42 SER HBx H 1 3.942 0.020 A 42 SER HBy H 1 3.942 0.020 A 42 SER C C 13 175.951 0.400 A 42 SER CA C 13 60.138 0.400 A 42 SER CB C 13 63.646 0.400 A 42 SER N N 15 110.645 0.400 A 43 SER H H 1 7.582 0.020 A 43 SER HA H 1 4.566 0.020 A 43 SER HBx H 1 3.902 0.020 A 43 SER HBy H 1 3.902 0.020 A 43 SER C C 13 172.737 0.400 A 43 SER CA C 13 59.986 0.400 A 43 SER CB C 13 65.424 0.400 A 43 SER N N 15 114.459 0.400 A 44 CYS H H 1 7.146 0.020 A 44 CYS HA H 1 5.196 0.020 A 44 CYS HBx H 1 2.573 0.020 A 44 CYS HBy H 1 2.941 0.020 A 44 CYS CA C 13 52.169 0.400 A 44 CYS CB C 13 45.634 0.400 A 44 CYS N N 15 116.693 0.400 A 45 PRO HA H 1 4.448 0.020 A 45 PRO HBy H 1 2.402 0.020 A 45 PRO HBx H 1 1.632 0.020 A 45 PRO HDx H 1 3.432 0.020 A 45 PRO HDy H 1 3.579 0.020 A 45 PRO HGx H 1 1.629 0.020 A 45 PRO HGy H 1 1.629 0.020 A 45 PRO CA C 13 62.324 0.400 A 45 PRO CB C 13 32.805 0.400 A 45 PRO CD C 13 50.359 0.400 A 45 PRO CG C 13 27.451 0.400 A 46 GLN H H 1 9.092 0.020 A 46 GLN HA H 1 3.908 0.020 A 46 GLN HBx H 1 2.153 0.020 A 46 GLN HBy H 1 2.153 0.020 A 46 GLN HE2x H 1 6.924 0.020 A 46 GLN HE2y H 1 7.589 0.020 A 46 GLN HGx H 1 2.452 0.020 A 46 GLN HGy H 1 2.452 0.020 A 46 GLN C C 13 178.365 0.400 A 46 GLN CA C 13 59.896 0.400 A 46 GLN CB C 13 28.404 0.400 A 46 GLN CG C 13 33.934 0.400 A 46 GLN N N 15 125.003 0.400 A 46 GLN NE2 N 15 112.576 0.400 A 47 GLN H H 1 9.424 0.020 A 47 GLN HA H 1 4.120 0.020 A 47 GLN HBx H 1 2.093 0.020 A 47 GLN HBy H 1 2.093 0.020 A 47 GLN HE2y H 1 7.153 0.020 A 47 GLN HE2x H 1 6.572 0.020 A 47 GLN HGx H 1 2.274 0.020 A 47 GLN HGy H 1 2.274 0.020 A 47 GLN C C 13 177.696 0.400 A 47 GLN CA C 13 59.062 0.400 A 47 GLN CB C 13 28.439 0.400 A 47 GLN CG C 13 37.001 0.400 A 47 GLN N N 15 116.647 0.400 A 47 GLN NE2 N 15 112.108 0.400 A 48 TRP H H 1 8.133 0.020 A 48 TRP HA H 1 4.332 0.020 A 48 TRP HBx H 1 3.228 0.020 A 48 TRP HBy H 1 3.228 0.020 A 48 TRP HD1 H 1 6.686 0.020 A 48 TRP HE1 H 1 11.087 0.020 A 48 TRP HZ2 H 1 7.877 0.020 A 48 TRP C C 13 176.897 0.400 A 48 TRP CA C 13 59.880 0.400 A 48 TRP CB C 13 28.588 0.400 A 48 TRP CD1 C 13 123.878 0.400 A 48 TRP CZ2 C 13 114.473 0.400 A 48 TRP N N 15 119.356 0.400 A 48 TRP NE1 N 15 128.277 0.400 A 49 ILE H H 1 7.734 0.020 A 49 ILE HA H 1 3.616 0.020 A 49 ILE HB H 1 1.892 0.020 A 49 ILE HD1% H 1 0.377 0.020 A 49 ILE HG1x H 1 0.358 0.020 A 49 ILE HG1y H 1 1.231 0.020 A 49 ILE HG2% H 1 0.696 0.020 A 49 ILE C C 13 177.168 0.400 A 49 ILE CA C 13 65.419 0.400 A 49 ILE CB C 13 37.457 0.400 A 49 ILE CD1 C 13 13.575 0.400 A 49 ILE CG1 C 13 28.031 0.400 A 49 ILE CG2 C 13 17.217 0.400 A 49 ILE N N 15 120.020 0.400 A 50 LYS H H 1 7.564 0.020 A 50 LYS HA H 1 4.136 0.020 A 50 LYS HBy H 1 1.850 0.020 A 50 LYS HBx H 1 1.774 0.020 A 50 LYS HDx H 1 1.730 0.020 A 50 LYS HDy H 1 1.730 0.020 A 50 LYS HEx H 1 2.997 0.020 A 50 LYS HEy H 1 2.997 0.020 A 50 LYS HGx H 1 1.436 0.020 A 50 LYS HGy H 1 1.436 0.020 A 50 LYS C C 13 178.594 0.400 A 50 LYS CA C 13 59.302 0.400 A 50 LYS CB C 13 32.463 0.400 A 50 LYS CD C 13 29.407 0.400 A 50 LYS CE C 13 42.227 0.400 A 50 LYS CG C 13 25.084 0.400 A 50 LYS N N 15 115.853 0.400 A 51 TYR H H 1 7.425 0.020 A 51 TYR HA H 1 4.085 0.020 A 51 TYR HBy H 1 2.833 0.020 A 51 TYR HBx H 1 2.633 0.020 A 51 TYR HD1 H 1 6.877 0.020 A 51 TYR HD2 H 1 6.877 0.020 A 51 TYR HE1 H 1 7.075 0.020 A 51 TYR HE2 H 1 7.075 0.020 A 51 TYR C C 13 177.091 0.400 A 51 TYR CA C 13 61.519 0.400 A 51 TYR CB C 13 38.150 0.400 A 51 TYR CD1 C 13 131.164 0.400 A 51 TYR CE1 C 13 118.717 0.400 A 51 TYR N N 15 118.186 0.400 A 52 PHE H H 1 9.002 0.020 A 52 PHE HA H 1 4.610 0.020 A 52 PHE HBx H 1 3.553 0.020 A 52 PHE HBy H 1 3.553 0.020 A 52 PHE HD1 H 1 7.236 0.020 A 52 PHE HD2 H 1 7.236 0.020 A 52 PHE C C 13 178.353 0.400 A 52 PHE CA C 13 59.783 0.400 A 52 PHE CB C 13 37.995 0.400 A 52 PHE CD1 C 13 129.948 0.400 A 52 PHE N N 15 119.095 0.400 A 53 ASP H H 1 9.328 0.020 A 53 ASP HA H 1 4.867 0.020 A 53 ASP HBy H 1 2.938 0.020 A 53 ASP HBx H 1 2.791 0.020 A 53 ASP C C 13 179.680 0.400 A 53 ASP CA C 13 57.680 0.400 A 53 ASP CB C 13 39.702 0.400 A 53 ASP N N 15 121.095 0.400 A 54 LYS H H 1 7.857 0.020 A 54 LYS C C 13 177.406 0.400 A 54 LYS N N 15 120.463 0.400 A 55 ARG H H 1 8.572 0.020 A 55 ARG N N 15 119.410 0.400 A 56 ARG HA H 1 4.393 0.020 A 56 ARG HBy H 1 2.370 0.020 A 56 ARG HBx H 1 1.887 0.020 A 56 ARG C C 13 176.772 0.400 A 56 ARG CA C 13 55.664 0.400 A 56 ARG CB C 13 29.281 0.400 A 57 ASP H H 1 7.560 0.020 A 57 ASP HA H 1 5.411 0.020 A 57 ASP HBy H 1 3.652 0.020 A 57 ASP HBx H 1 2.626 0.020 A 57 ASP C C 13 176.274 0.400 A 57 ASP CA C 13 53.504 0.400 A 57 ASP CB C 13 42.524 0.400 A 57 ASP N N 15 115.377 0.400 A 58 TYR H H 1 7.687 0.020 A 58 TYR HA H 1 4.240 0.020 A 58 TYR HBy H 1 3.511 0.020 A 58 TYR HBx H 1 3.158 0.020 A 58 TYR HD1 H 1 6.868 0.020 A 58 TYR HD2 H 1 6.868 0.020 A 58 TYR HE1 H 1 6.669 0.020 A 58 TYR HE2 H 1 6.669 0.020 A 58 TYR C C 13 178.345 0.400 A 58 TYR CA C 13 60.596 0.400 A 58 TYR CB C 13 40.775 0.400 A 58 TYR CD1 C 13 132.520 0.400 A 58 TYR CE1 C 13 118.363 0.400 A 58 TYR N N 15 122.078 0.400 A 59 LEU H H 1 8.136 0.020 A 59 LEU HA H 1 3.620 0.020 A 59 LEU HBy H 1 1.844 0.020 A 59 LEU HBx H 1 1.125 0.020 A 59 LEU HDx% H 1 0.512 0.020 A 59 LEU HDy% H 1 0.577 0.020 A 59 LEU HG H 1 1.102 0.020 A 59 LEU C C 13 179.997 0.400 A 59 LEU CA C 13 58.124 0.400 A 59 LEU CB C 13 41.541 0.400 A 59 LEU CD1 C 13 21.083 0.400 A 59 LEU CD2 C 13 26.109 0.400 A 59 LEU CG C 13 25.439 0.400 A 59 LEU N N 15 122.915 0.400 A 60 LYS H H 1 8.433 0.020 A 60 LYS HA H 1 4.171 0.020 A 60 LYS HBx H 1 1.883 0.020 A 60 LYS HBy H 1 1.883 0.020 A 60 LYS HDx H 1 1.689 0.020 A 60 LYS HDy H 1 1.689 0.020 A 60 LYS HEx H 1 2.967 0.020 A 60 LYS HEy H 1 2.967 0.020 A 60 LYS HGx H 1 1.549 0.020 A 60 LYS HGy H 1 1.549 0.020 A 60 LYS C C 13 178.875 0.400 A 60 LYS CA C 13 57.295 0.400 A 60 LYS CB C 13 32.033 0.400 A 60 LYS CD C 13 29.167 0.400 A 60 LYS CE C 13 42.131 0.400 A 60 LYS CG C 13 25.395 0.400 A 60 LYS N N 15 119.809 0.400 A 61 PHE H H 1 7.944 0.020 A 61 PHE HA H 1 4.321 0.020 A 61 PHE HBx H 1 3.151 0.020 A 61 PHE HBy H 1 3.151 0.020 A 61 PHE HD1 H 1 7.417 0.020 A 61 PHE HD2 H 1 7.417 0.020 A 61 PHE CA C 13 61.087 0.400 A 61 PHE CB C 13 39.083 0.400 A 61 PHE CD1 C 13 131.441 0.400 A 61 PHE N N 15 120.823 0.400 A 62 LYS HA H 1 4.401 0.020 A 62 LYS HBx H 1 1.688 0.020 A 62 LYS HBy H 1 1.688 0.020 A 62 LYS HDx H 1 1.542 0.020 A 62 LYS HDy H 1 1.542 0.020 A 62 LYS HEx H 1 2.825 0.020 A 62 LYS HEy H 1 2.825 0.020 A 62 LYS HGx H 1 1.389 0.020 A 62 LYS HGy H 1 1.389 0.020 A 62 LYS C C 13 177.021 0.400 A 62 LYS CA C 13 63.002 0.400 A 62 LYS CB C 13 32.026 0.400 A 62 LYS CD C 13 29.009 0.400 A 62 LYS CE C 13 42.074 0.400 A 62 LYS CG C 13 25.067 0.400 A 63 GLU H H 1 8.655 0.020 A 63 GLU C C 13 177.934 0.400 A 63 GLU N N 15 118.011 0.400 A 64 LYS H H 1 8.303 0.020 A 64 LYS HA H 1 3.515 0.020 A 64 LYS HBx H 1 1.485 0.020 A 64 LYS HBy H 1 1.485 0.020 A 64 LYS C C 13 177.542 0.400 A 64 LYS CA C 13 59.048 0.400 A 64 LYS CB C 13 29.022 0.400 A 64 LYS N N 15 119.848 0.400 A 65 PHE H H 1 7.595 0.020 A 65 PHE HA H 1 4.489 0.020 A 65 PHE HBx H 1 3.031 0.020 A 65 PHE HBy H 1 3.031 0.020 A 65 PHE HD1 H 1 7.278 0.020 A 65 PHE HD2 H 1 7.278 0.020 A 65 PHE C C 13 175.170 0.400 A 65 PHE CA C 13 57.218 0.400 A 65 PHE CB C 13 39.506 0.400 A 65 PHE CD2 C 13 131.597 0.400 A 65 PHE N N 15 116.841 0.400 A 66 GLU H H 1 7.993 0.020 A 66 GLU HA H 1 4.605 0.020 A 66 GLU C C 13 176.953 0.400 A 66 GLU CA C 13 57.377 0.400 A 66 GLU N N 15 122.282 0.400 A 67 ALA H H 1 7.877 0.020 A 67 ALA HA H 1 4.138 0.020 A 67 ALA HB% H 1 1.343 0.020 A 67 ALA C C 13 178.632 0.400 A 67 ALA CA C 13 53.819 0.400 A 67 ALA CB C 13 18.835 0.400 A 67 ALA N N 15 122.709 0.400 A 68 GLY H H 1 8.056 0.020 A 68 GLY HAx H 1 3.874 0.020 A 68 GLY HAy H 1 3.874 0.020 A 68 GLY C C 13 174.648 0.400 A 68 GLY CA C 13 45.739 0.400 A 68 GLY N N 15 106.899 0.400 A 69 GLN H H 1 7.769 0.020 A 69 GLN HA H 1 4.169 0.020 A 69 GLN HBx H 1 1.852 0.020 A 69 GLN HBy H 1 1.852 0.020 A 69 GLN HE2y H 1 7.450 0.020 A 69 GLN HE2x H 1 6.804 0.020 A 69 GLN HGx H 1 2.307 0.020 A 69 GLN HGy H 1 2.307 0.020 A 69 GLN C C 13 175.545 0.400 A 69 GLN CA C 13 56.101 0.400 A 69 GLN CB C 13 29.138 0.400 A 69 GLN CG C 13 33.394 0.400 A 69 GLN N N 15 118.491 0.400 A 69 GLN NE2 N 15 113.600 0.400 A 70 PHE H H 1 7.982 0.020 A 70 PHE HA H 1 4.353 0.020 A 70 PHE HBy H 1 2.803 0.020 A 70 PHE HBx H 1 2.642 0.020 A 70 PHE HD1 H 1 7.245 0.020 A 70 PHE HD2 H 1 7.245 0.020 A 70 PHE C C 13 178.486 0.400 A 70 PHE CA C 13 57.245 0.400 A 70 PHE CB C 13 41.138 0.400 A 70 PHE CD1 C 13 132.116 0.400 A 70 PHE N N 15 119.117 0.400 A 71 GLU H H 1 7.919 0.020 A 71 GLU N N 15 119.025 0.400 A 72 PRO HA H 1 4.253 0.020 A 72 PRO HBy H 1 2.085 0.020 A 72 PRO HBx H 1 1.851 0.020 A 72 PRO HDx H 1 3.659 0.020 A 72 PRO HDy H 1 3.718 0.020 A 72 PRO HGx H 1 2.027 0.020 A 72 PRO HGy H 1 2.027 0.020 A 72 PRO C C 13 176.989 0.400 A 72 PRO CA C 13 63.259 0.400 A 72 PRO CB C 13 31.977 0.400 A 72 PRO CD C 13 50.340 0.400 A 72 PRO CG C 13 27.386 0.400 A 73 SER H H 1 8.355 0.020 A 73 SER HA H 1 4.424 0.020 A 73 SER HBx H 1 3.861 0.020 A 73 SER HBy H 1 3.861 0.020 A 73 SER C C 13 174.741 0.400 A 73 SER CA C 13 58.394 0.400 A 73 SER CB C 13 64.032 0.400 A 73 SER N N 15 115.855 0.400 A 74 GLU H H 1 8.488 0.020 A 74 GLU HA H 1 4.383 0.020 A 74 GLU HBy H 1 2.112 0.020 A 74 GLU HBx H 1 1.976 0.020 A 74 GLU HGx H 1 2.255 0.020 A 74 GLU HGy H 1 2.255 0.020 A 74 GLU C C 13 176.746 0.400 A 74 GLU CA C 13 56.666 0.400 A 74 GLU CB C 13 30.348 0.400 A 74 GLU CG C 13 36.249 0.400 A 74 GLU N N 15 122.655 0.400 A 75 THR H H 1 8.224 0.020 A 75 THR HA H 1 4.422 0.020 A 75 THR HB H 1 4.246 0.020 A 75 THR HG2% H 1 1.199 0.020 A 75 THR C C 13 174.784 0.400 A 75 THR CA C 13 61.820 0.400 A 75 THR CB C 13 69.819 0.400 A 75 THR CG2 C 13 21.602 0.400 A 75 THR N N 15 114.900 0.400 A 76 THR H H 1 8.098 0.020 A 76 THR HA H 1 4.386 0.020 A 76 THR HB H 1 4.224 0.020 A 76 THR HG2% H 1 1.220 0.020 A 76 THR C C 13 174.284 0.400 A 76 THR CA C 13 62.008 0.400 A 76 THR CB C 13 69.812 0.400 A 76 THR CG2 C 13 21.847 0.400 A 76 THR N N 15 116.629 0.400 A 77 ALA H H 1 8.305 0.020 A 77 ALA HA H 1 4.332 0.020 A 77 ALA HB% H 1 1.394 0.020 A 77 ALA C C 13 177.524 0.400 A 77 ALA CA C 13 52.537 0.400 A 77 ALA CB C 13 19.328 0.400 A 77 ALA N N 15 126.989 0.400 A 78 LYS H H 1 8.317 0.020 A 78 LYS HA H 1 4.359 0.020 A 78 LYS HBy H 1 1.887 0.020 A 78 LYS HBx H 1 1.756 0.020 A 78 LYS HDx H 1 1.721 0.020 A 78 LYS HDy H 1 1.721 0.020 A 78 LYS HEx H 1 3.002 0.020 A 78 LYS HEy H 1 3.002 0.020 A 78 LYS HGx H 1 1.462 0.020 A 78 LYS HGy H 1 1.462 0.020 A 78 LYS C C 13 175.886 0.400 A 78 LYS CA C 13 56.206 0.400 A 78 LYS CB C 13 33.148 0.400 A 78 LYS CD C 13 29.246 0.400 A 78 LYS CE C 13 42.340 0.400 A 78 LYS CG C 13 24.764 0.400 A 78 LYS N N 15 121.535 0.400 A 79 SER H H 1 7.967 0.020 A 79 SER HA H 1 4.433 0.020 A 79 SER HBx H 1 4.028 0.020 A 79 SER HBy H 1 4.028 0.020 A 79 SER C C 13 178.682 0.400 A 79 SER CA C 13 60.014 0.400 A 79 SER CB C 13 63.650 0.400 A 79 SER N N 15 122.901 0.400 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 69 GLN HE2x A 69 GLN HGx 1.0 1.8 3.82 2 1 A 69 GLN HGy A 69 GLN HE2x 1.0 1.8 3.82 3 2 A 49 ILE H A 51 TYR H 1.0 1.8 4.18 4 3 A 51 TYR H A 51 TYR HBx 1.0 1.8 3.78 5 4 A 28 GLU H A 29 ASP H 1.0 1.8 3.21 6 5 A 29 ASP H A 30 ALA H 1.0 1.8 3.84 7 6 A 29 ASP H A 29 ASP HBy 1.0 1.8 3.06 8 7 A 29 ASP H A 29 ASP HBx 1.0 1.8 3.11 9 8 A 29 ASP H A 59 LEU HDx% 1.0 1.8 5.08 10 9 A 57 ASP H A 57 ASP HBy 1.0 1.8 4.02 11 10 A 57 ASP H A 57 ASP HBx 1.0 1.8 4.02 12 11 A 49 ILE HB A 50 LYS H 1.0 1.8 3.64 13 12 A 50 LYS H A 50 LYS HBy 1.0 1.8 3.85 14 13 A 43 SER H A 44 CYS HA 1.0 1.8 4.23 15 14 A 43 SER H A 42 SER HBx 1.0 1.8 3.32 16 14 A 43 SER H A 42 SER HBy 1.0 1.8 3.32 17 15 A 43 SER H A 43 SER HBx 1.0 1.8 3.51 18 15 A 43 SER H A 43 SER HBy 1.0 1.8 3.51 19 16 A 32 GLN H A 31 SER HBx 1.0 1.8 4.15 20 16 A 31 SER HBy A 32 GLN H 1.0 1.8 4.15 21 17 A 32 GLN H A 33 CYS HBx 1.0 1.8 4.16 22 17 A 32 GLN H A 33 CYS HBy 1.0 1.8 4.16 23 18 A 32 GLN H A 30 ALA HB% 1.0 1.8 4.82 24 19 A 28 GLU H A 26 ASN H 1.0 1.8 4.36 25 20 A 26 ASN H A 25 GLU H 1.0 1.8 3.44 26 21 A 26 ASN H A 26 ASN HD2x 1.0 1.8 4.15 27 22 A 26 ASN H A 26 ASN HBx 1.0 1.8 4.04 28 23 A 26 ASN H A 25 GLU HGx 1.0 1.8 4.42 29 24 A 26 ASN H A 27 LEU HBy 1.0 1.8 5.02 30 25 A 26 ASN H A 27 LEU HDx% 1.0 1.8 4.38 31 26 A 19 TYR H A 20 TRP H 1.0 1.8 3.63 32 27 A 19 TYR H A 18 GLU H 1.0 1.8 3.42 33 28 A 19 TYR H A 18 GLU HBx 1.0 1.8 3.50 34 28 A 19 TYR H A 18 GLU HBy 1.0 1.8 3.50 35 29 A 19 TYR H A 15 ALA HB% 1.0 1.8 5.08 36 30 A 49 ILE H A 49 ILE HG1y 1.0 1.8 3.95 37 31 A 49 ILE H A 49 ILE HG1x 1.0 1.8 3.98 38 32 A 36 LEU H A 36 LEU HBx 1.0 1.8 3.62 39 33 A 36 LEU H A 35 LYS HBx 1.0 1.8 3.03 40 33 A 36 LEU H A 35 LYS HBy 1.0 1.8 3.03 41 34 A 36 LEU H A 36 LEU HG 1.0 1.8 3.49 42 35 A 38 SER H A 39 SER H 1.0 1.8 3.10 43 36 A 39 SER H A 39 SER HBx 1.0 1.8 2.76 44 36 A 39 SER H A 39 SER HBy 1.0 1.8 2.76 45 37 A 28 GLU H A 27 LEU H 1.0 1.8 3.44 46 38 A 26 ASN H A 27 LEU H 1.0 1.8 3.21 47 39 A 27 LEU H A 26 ASN HA 1.0 1.8 3.50 48 40 A 27 LEU H A 27 LEU HA 1.0 1.8 2.82 49 41 A 27 LEU H A 27 LEU HBx 1.0 1.8 4.16 50 42 A 27 LEU HBy A 27 LEU H 1.0 1.8 3.67 51 43 A 41 GLU H A 42 SER H 1.0 1.8 3.36 52 44 A 43 SER H A 42 SER H 1.0 1.8 3.16 53 45 A 42 SER H A 41 GLU HBx 1.0 1.8 4.20 54 45 A 42 SER H A 41 GLU HBy 1.0 1.8 4.20 55 46 A 42 SER H A 41 GLU HGx 1.0 1.8 4.62 56 47 A 71 GLU H A 70 PHE HBy 1.0 1.8 4.11 57 48 A 15 ALA H A 16 ARG H 1.0 1.8 3.52 58 49 A 15 ALA H A 14 GLY H 1.0 1.8 3.39 59 50 A 15 ALA H A 16 ARG HA 1.0 1.8 5.37 60 51 A 15 ALA HB% A 15 ALA H 1.0 1.8 2.99 61 52 A 40 PHE H A 40 PHE HBy 1.0 1.8 3.31 62 53 A 40 PHE H A 40 PHE HBx 1.0 1.8 3.30 63 54 A 15 ALA H A 11 VAL HG1% 1.0 1.8 4.59 64 55 A 38 SER H A 37 ARG H 1.0 1.8 3.38 65 56 A 38 SER H A 38 SER HBx 1.0 1.8 2.81 66 56 A 38 SER H A 38 SER HBy 1.0 1.8 2.81 67 57 A 38 SER H A 40 PHE HBx 1.0 1.8 5.17 68 58 A 38 SER H A 36 LEU HBy 1.0 1.8 5.17 69 59 A 25 GLU H A 27 LEU H 1.0 1.8 4.01 70 60 A 25 GLU H A 25 GLU HBx 1.0 1.8 3.26 71 60 A 25 GLU H A 25 GLU HBy 1.0 1.8 3.26 72 61 A 18 GLU H A 17 ASP HBy 1.0 1.8 3.95 73 62 A 18 GLU H A 17 ASP HBx 1.0 1.8 3.95 74 63 A 18 GLU H A 18 GLU HBx 1.0 1.8 3.06 75 63 A 18 GLU H A 18 GLU HBy 1.0 1.8 3.06 76 64 A 59 LEU H A 59 LEU HBx 1.0 1.8 3.57 77 65 A 59 LEU H A 36 LEU HDx% 1.0 1.8 4.26 78 66 A 59 LEU H A 59 LEU HBy 1.0 1.8 3.66 79 67 A 75 THR H A 75 THR HG2% 1.0 1.8 4.37 80 68 A 24 ASP H A 27 LEU HG 1.0 1.8 4.69 81 69 A 72 PRO HA A 73 SER H 1.0 1.8 3.19 82 70 A 73 SER H A 73 SER HBx 1.0 1.8 3.62 83 70 A 73 SER H A 73 SER HBy 1.0 1.8 3.62 84 71 A 73 SER H A 72 PRO HBy 1.0 1.8 4.31 85 72 A 73 SER H A 72 PRO HBx 1.0 1.8 4.31 86 73 A 18 GLU H A 17 ASP H 1.0 1.8 3.70 87 74 A 15 ALA H A 17 ASP H 1.0 1.8 4.56 88 75 A 17 ASP H A 17 ASP HBy 1.0 1.8 3.62 89 76 A 17 ASP H A 17 ASP HBx 1.0 1.8 3.62 90 77 A 30 ALA H A 31 SER HBx 1.0 1.8 4.59 91 77 A 30 ALA H A 31 SER HBy 1.0 1.8 4.59 92 78 A 30 ALA H A 29 ASP HBx 1.0 1.8 4.51 93 79 A 41 GLU H A 40 PHE H 1.0 1.8 3.24 94 80 A 41 GLU H A 40 PHE HBy 1.0 1.8 3.88 95 81 A 41 GLU H A 40 PHE HBx 1.0 1.8 3.86 96 82 A 73 SER HA A 74 GLU H 1.0 1.8 3.22 97 83 A 74 GLU H A 73 SER HBx 1.0 1.8 4.08 98 83 A 73 SER HBy A 74 GLU H 1.0 1.8 4.08 99 84 A 32 GLN H A 31 SER H 1.0 1.8 3.39 100 85 A 31 SER H A 31 SER HBx 1.0 1.8 3.16 101 85 A 31 SER HBy A 31 SER H 1.0 1.8 3.16 102 86 A 30 ALA HB% A 31 SER H 1.0 1.8 3.45 103 87 A 16 ARG H A 17 ASP H 1.0 1.8 3.70 104 88 A 18 GLU H A 16 ARG H 1.0 1.8 4.38 105 89 A 19 TYR H A 16 ARG H 1.0 1.8 5.12 106 90 A 36 LEU H A 37 ARG H 1.0 1.8 3.55 107 91 A 37 ARG H A 33 CYS HA 1.0 1.8 3.59 108 92 A 37 ARG H A 22 CYS HBx 1.0 1.8 4.15 109 92 A 37 ARG H A 22 CYS HBy 1.0 1.8 4.15 110 93 A 37 ARG H A 36 LEU HBy 1.0 1.8 4.07 111 94 A 37 ARG H A 36 LEU HDy% 1.0 1.8 4.81 112 95 A 12 CYS HBx A 13 TRP H 1.0 1.8 4.34 113 96 A 51 TYR H A 52 PHE H 1.0 1.8 3.58 114 97 A 52 PHE H A 53 ASP HBy 1.0 1.8 5.12 115 98 A 28 GLU H A 27 LEU HA 1.0 1.8 3.54 116 99 A 28 GLU H A 28 GLU HGx 1.0 1.8 4.09 117 99 A 28 GLU H A 28 GLU HGy 1.0 1.8 4.09 118 100 A 28 GLU H A 28 GLU HBx 1.0 1.8 3.74 119 101 A 28 GLU H A 27 LEU HBy 1.0 1.8 4.35 120 102 A 20 TRP H A 18 GLU H 1.0 1.8 4.74 121 103 A 20 TRP H A 19 TYR HD% 1.0 1.8 4.42 122 104 A 52 PHE H A 53 ASP H 1.0 1.8 3.84 123 105 A 51 TYR H A 53 ASP H 1.0 1.8 4.48 124 106 A 53 ASP H A 52 PHE HBx 1.0 1.8 3.76 125 106 A 53 ASP H A 52 PHE HBy 1.0 1.8 3.76 126 107 A 53 ASP H A 53 ASP HBy 1.0 1.8 3.53 127 108 A 34 LYS H A 33 CYS HBx 1.0 1.8 3.71 128 108 A 33 CYS HBy A 34 LYS H 1.0 1.8 3.71 129 109 A 12 CYS HBx A 12 CYS H 1.0 1.8 3.84 130 110 A 12 CYS H A 12 CYS HBy 1.0 1.8 3.79 131 111 A 69 GLN HE2y A 69 GLN HGx 1.0 1.8 3.82 132 111 A 69 GLN HGy A 69 GLN HE2y 1.0 1.8 3.82 133 112 A 47 GLN H A 46 GLN HGx 1.0 1.8 4.27 134 112 A 46 GLN HGy A 47 GLN H 1.0 1.8 4.27 135 113 A 47 GLN H A 47 GLN HBx 1.0 1.8 3.86 136 113 A 47 GLN H A 47 GLN HBy 1.0 1.8 3.86 137 114 A 43 SER H A 44 CYS H 1.0 1.8 3.09 138 115 A 44 CYS H A 43 SER HBx 1.0 1.8 3.54 139 115 A 43 SER HBy A 44 CYS H 1.0 1.8 3.54 140 116 A 44 CYS H A 44 CYS HBy 1.0 1.8 3.97 141 117 A 44 CYS H A 44 CYS HBx 1.0 1.8 3.97 142 118 A 44 CYS H A 45 PRO HGx 1.0 1.8 4.58 143 118 A 44 CYS H A 45 PRO HGy 1.0 1.8 4.58 144 119 A 51 TYR H A 46 GLN HA 1.0 1.8 5.34 145 120 A 51 TYR H A 50 LYS H 1.0 1.8 3.78 146 121 A 50 LYS H A 50 LYS HDx 1.0 1.8 4.60 147 121 A 50 LYS H A 50 LYS HDy 1.0 1.8 4.60 148 122 A 36 LEU H A 38 SER H 1.0 1.8 4.44 149 123 A 39 SER H A 40 PHE HBx 1.0 1.8 4.50 150 124 A 39 SER H A 37 ARG HBx 1.0 1.8 5.07 151 124 A 39 SER H A 37 ARG HBy 1.0 1.8 5.07 152 125 A 49 ILE HG1x A 42 SER H 1.0 1.8 4.79 153 126 A 10 GLN H A 10 GLN HGx 1.0 1.8 4.13 154 126 A 10 GLN H A 10 GLN HGy 1.0 1.8 4.13 155 127 A 10 GLN H A 11 VAL HG2% 1.0 1.8 4.77 156 128 A 38 SER H A 22 CYS HBx 1.0 1.8 5.43 157 128 A 38 SER H A 22 CYS HBy 1.0 1.8 5.43 158 129 A 2 ALA HB% A 3 ALA H 1.0 1.8 4.99 159 130 A 15 ALA HB% A 41 GLU H 1.0 1.8 4.43 160 131 A 13 TRP H A 12 CYS HBy 1.0 1.8 4.18 161 132 A 52 PHE H A 53 ASP HBx 1.0 1.8 5.12 162 133 A 9 ARG H A 11 VAL H 1.0 1.8 4.94 163 134 A 14 GLY H A 11 VAL H 1.0 1.8 5.37 164 135 A 11 VAL H A 11 VAL HB 1.0 1.8 3.36 165 136 A 58 TYR H A 57 ASP HBy 1.0 1.8 4.73 166 137 A 58 TYR H A 57 ASP HBx 1.0 1.8 4.73 167 138 A 67 ALA HB% A 69 GLN H 1.0 1.8 4.75 168 139 A 39 SER H A 37 ARG H 1.0 1.8 4.72 169 140 A 39 SER H A 37 ARG HA 1.0 1.8 4.87 170 141 A 42 SER H A 40 PHE HBy 1.0 1.8 4.79 171 142 A 15 ALA HB% A 42 SER H 1.0 1.8 5.38 172 143 A 49 ILE HG1x A 40 PHE H 1.0 1.8 5.28 173 144 A 40 PHE H A 49 ILE HD1% 1.0 1.8 5.75 174 145 A 20 TRP H A 17 ASP H 1.0 1.8 6.00 175 146 A 30 ALA H A 32 GLN H 1.0 1.8 4.75 176 147 A 41 GLU H A 49 ILE HG2% 1.0 1.8 4.95 177 148 A 15 ALA H A 13 TRP H 1.0 1.8 4.80 178 149 A 13 TRP H A 11 VAL HB 1.0 1.8 5.29 179 150 A 15 ALA HB% A 13 TRP H 1.0 1.8 5.18 180 151 A 74 GLU H A 74 GLU HGx 1.0 1.8 4.12 181 151 A 74 GLU H A 74 GLU HGy 1.0 1.8 4.12 182 152 A 75 THR H A 74 GLU HA 1.0 1.8 3.31 183 153 A 59 LEU H A 59 LEU HDx% 1.0 1.8 4.24 184 154 A 59 LEU H A 58 TYR HBy 1.0 1.8 3.83 185 155 A 53 ASP H A 54 LYS H 1.0 1.8 3.73 186 156 A 53 ASP H A 50 LYS HA 1.0 1.8 3.98 187 157 A 53 ASP H A 50 LYS HDx 1.0 1.8 5.49 188 157 A 53 ASP H A 50 LYS HDy 1.0 1.8 5.49 189 158 A 52 PHE H A 48 TRP HA 1.0 1.8 4.42 190 159 A 51 TYR H A 51 TYR HBy 1.0 1.8 3.78 191 160 A 29 ASP H A 30 ALA HB% 1.0 1.8 4.61 192 161 A 29 ASP H A 27 LEU HA 1.0 1.8 4.08 193 162 A 26 ASN H A 26 ASN HBy 1.0 1.8 3.63 194 163 A 26 ASN H A 25 GLU HBx 1.0 1.8 3.42 195 163 A 26 ASN H A 25 GLU HBy 1.0 1.8 3.42 196 164 A 26 ASN H A 59 LEU HBx 1.0 1.8 4.04 197 165 A 50 LYS H A 49 ILE HG1y 1.0 1.8 4.82 198 166 A 49 ILE H A 49 ILE HB 1.0 1.8 3.40 199 167 A 33 CYS H A 33 CYS HBx 1.0 1.8 2.83 200 167 A 33 CYS HBy A 33 CYS H 1.0 1.8 2.83 201 168 A 49 ILE H A 48 TRP H 1.0 1.8 4.26 202 169 A 25 GLU H A 24 ASP HBy 1.0 1.8 4.19 203 170 A 44 CYS H A 49 ILE HD1% 1.0 1.8 3.64 204 171 A 49 ILE HG1y A 44 CYS H 1.0 1.8 4.51 205 172 A 43 SER H A 41 GLU HBx 1.0 1.8 4.93 206 172 A 43 SER H A 41 GLU HBy 1.0 1.8 4.93 207 173 A 43 SER H A 41 GLU HA 1.0 1.8 4.35 208 174 A 42 SER H A 41 GLU HGy 1.0 1.8 4.62 209 175 A 44 CYS HA A 42 SER H 1.0 1.8 6.00 210 176 A 41 GLU H A 42 SER HBx 1.0 1.8 4.29 211 176 A 42 SER HBy A 41 GLU H 1.0 1.8 4.29 212 177 A 40 PHE H A 39 SER HBx 1.0 1.8 3.23 213 177 A 39 SER HBy A 40 PHE H 1.0 1.8 3.23 214 178 A 15 ALA H A 16 ARG HBx 1.0 1.8 4.44 215 178 A 15 ALA H A 16 ARG HBy 1.0 1.8 4.44 216 179 A 36 LEU H A 38 SER HBx 1.0 1.8 4.99 217 179 A 36 LEU H A 38 SER HBy 1.0 1.8 4.99 218 180 A 36 LEU H A 36 LEU HBy 1.0 1.8 3.63 219 181 A 34 LYS H A 33 CYS H 1.0 1.8 3.15 220 182 A 32 GLN H A 33 CYS HA 1.0 1.8 4.74 221 183 A 30 ALA H A 29 ASP HA 1.0 1.8 3.07 222 184 A 30 ALA H A 29 ASP HBy 1.0 1.8 4.85 223 185 A 29 ASP H A 27 LEU H 1.0 1.8 4.58 224 186 A 28 GLU H A 59 LEU HG 1.0 1.8 4.33 225 187 A 28 GLU H A 28 GLU HBy 1.0 1.8 3.74 226 188 A 27 LEU H A 59 LEU HG 1.0 1.8 4.13 227 189 A 27 LEU HDx% A 27 LEU H 1.0 1.8 3.13 228 190 A 24 ASP H A 23 LEU H 1.0 1.8 3.79 229 191 A 9 ARG H A 10 GLN HBx 1.0 1.8 4.52 230 191 A 9 ARG H A 10 GLN HBy 1.0 1.8 4.52 231 192 A 20 TRP H A 18 GLU HA 1.0 1.8 3.84 232 193 A 19 TYR H A 19 TYR HBy 1.0 1.8 3.46 233 194 A 19 TYR H A 19 TYR HBx 1.0 1.8 3.46 234 195 A 19 TYR H A 16 ARG HA 1.0 1.8 4.14 235 196 A 16 ARG H A 16 ARG HE 1.0 1.8 4.77 236 197 A 17 ASP H A 16 ARG HGy 1.0 1.8 4.95 237 198 A 17 ASP H A 16 ARG HGx 1.0 1.8 4.95 238 199 A 17 ASP H A 16 ARG HBx 1.0 1.8 3.88 239 199 A 17 ASP H A 16 ARG HBy 1.0 1.8 3.88 240 200 A 16 ARG H A 16 ARG HGx 1.0 1.8 4.87 241 201 A 16 ARG H A 16 ARG HGy 1.0 1.8 4.87 242 202 A 15 ALA HB% A 16 ARG H 1.0 1.8 3.50 243 203 A 16 ARG H A 16 ARG HBx 1.0 1.8 3.71 244 203 A 16 ARG H A 16 ARG HBy 1.0 1.8 3.71 245 204 A 14 GLY H A 13 TRP HBx 1.0 1.8 3.73 246 204 A 14 GLY H A 13 TRP HBy 1.0 1.8 3.73 247 205 A 15 ALA HB% A 14 GLY H 1.0 1.8 4.52 248 206 A 12 CYS H A 11 VAL H 1.0 1.8 4.05 249 207 A 12 CYS H A 11 VAL HB 1.0 1.8 3.37 250 208 A 10 GLN H A 9 ARG H 1.0 1.8 4.25 251 209 A 29 ASP HBx A 59 LEU H 1.0 1.8 4.96 252 210 A 36 LEU HBx A 59 LEU H 1.0 1.8 5.20 253 211 A 50 LYS HBy A 52 PHE H 1.0 1.8 5.73 254 212 A 52 PHE H A 48 TRP HD1 1.0 1.8 4.80 255 213 A 11 VAL HG1% A 44 CYS H 1.0 1.8 4.96 256 214 A 43 SER H A 40 PHE HBy 1.0 1.8 6.00 257 215 A 41 GLU H A 49 ILE HD1% 1.0 1.8 4.90 258 216 A 40 PHE H A 41 GLU HA 1.0 1.8 5.52 259 217 A 15 ALA H A 18 GLU HBx 1.0 1.8 4.52 260 217 A 18 GLU HBy A 15 ALA H 1.0 1.8 4.52 261 218 A 38 SER H A 37 ARG HBx 1.0 1.8 3.57 262 218 A 38 SER H A 37 ARG HBy 1.0 1.8 3.57 263 219 A 37 ARG H A 33 CYS HBx 1.0 1.8 4.02 264 219 A 33 CYS HBy A 37 ARG H 1.0 1.8 4.02 265 220 A 37 ARG H A 37 ARG HBx 1.0 1.8 3.58 266 220 A 37 ARG H A 37 ARG HBy 1.0 1.8 3.58 267 221 A 37 ARG H A 37 ARG HGx 1.0 1.8 4.42 268 221 A 37 ARG H A 37 ARG HGy 1.0 1.8 4.42 269 222 A 60 LYS H A 61 PHE H 1.0 1.8 4.53 270 223 A 23 LEU H A 22 CYS HBx 1.0 1.8 4.08 271 223 A 22 CYS HBy A 23 LEU H 1.0 1.8 4.08 272 224 A 36 LEU HBy A 33 CYS H 1.0 1.8 5.26 273 225 A 13 TRP HE1 A 13 TRP HBx 1.0 1.8 5.03 274 225 A 13 TRP HBy A 13 TRP HE1 1.0 1.8 5.03 275 226 A 11 VAL HG1% A 13 TRP H 1.0 1.8 5.27 276 227 A 14 GLY H A 11 VAL HG2% 1.0 1.8 5.45 277 228 A 14 GLY H A 13 TRP H 1.0 1.8 4.15 278 229 A 26 ASN HD2x A 25 GLU HBx 1.0 1.8 4.13 279 229 A 26 ASN HD2x A 25 GLU HBy 1.0 1.8 4.13 280 230 A 61 PHE H A 61 PHE HBx 1.0 1.8 3.64 281 230 A 61 PHE H A 61 PHE HBy 1.0 1.8 3.64 282 231 A 59 LEU H A 60 LYS H 1.0 1.8 3.28 283 232 A 58 TYR H A 60 LYS H 1.0 1.8 4.19 284 233 A 60 LYS H A 59 LEU HDx% 1.0 1.8 4.70 285 234 A 59 LEU HBy A 60 LYS H 1.0 1.8 3.84 286 235 A 59 LEU HBx A 60 LYS H 1.0 1.8 3.69 287 236 A 22 CYS H A 37 ARG HGx 1.0 1.8 4.98 288 236 A 37 ARG HGy A 22 CYS H 1.0 1.8 4.98 289 237 A 60 LYS H A 60 LYS HEx 1.0 1.8 3.54 290 237 A 60 LYS H A 60 LYS HEy 1.0 1.8 3.54 291 238 A 22 CYS H A 22 CYS HBx 1.0 1.8 3.59 292 238 A 22 CYS HBy A 22 CYS H 1.0 1.8 3.59 293 239 A 61 PHE H A 60 LYS HEx 1.0 1.8 5.36 294 239 A 61 PHE H A 60 LYS HEy 1.0 1.8 5.36 295 240 A 54 LYS H A 55 ARG H 1.0 1.8 4.27 296 241 A 65 PHE H A 64 LYS HBx 1.0 1.8 4.27 297 241 A 64 LYS HBy A 65 PHE H 1.0 1.8 4.27 298 242 A 69 GLN H A 68 GLY H 1.0 1.8 3.86 299 243 A 53 ASP H A 53 ASP HBx 1.0 1.8 3.53 300 244 A 43 SER H A 41 GLU H 1.0 1.8 5.01 301 245 A 64 LYS H A 62 LYS HGx 1.0 1.8 4.64 302 245 A 62 LYS HGy A 64 LYS H 1.0 1.8 4.64 303 246 A 60 LYS H A 61 PHE HD% 1.0 1.8 4.85 304 247 A 29 ASP H A 59 LEU HG 1.0 1.8 4.78 305 248 A 41 GLU H A 42 SER HA 1.0 1.8 4.96 306 249 A 19 TYR H A 17 ASP H 1.0 1.8 5.17 307 250 A 42 SER H A 49 ILE HD1% 1.0 1.8 4.69 308 251 A 49 ILE H A 49 ILE HD1% 1.0 1.8 3.66 309 252 A 40 PHE HBy A 49 ILE HD1% 1.0 1.8 4.40 310 253 A 49 ILE HD1% A 44 CYS HBy 1.0 1.8 4.53 311 254 A 49 ILE HD1% A 46 GLN HGx 1.0 1.8 4.45 312 254 A 46 GLN HGy A 49 ILE HD1% 1.0 1.8 4.45 313 255 A 49 ILE HB A 49 ILE HD1% 1.0 1.8 3.16 314 256 A 15 ALA HB% A 49 ILE HD1% 1.0 1.8 4.15 315 257 A 49 ILE HD1% A 49 ILE HG2% 1.0 1.8 2.95 316 258 A 28 GLU H A 59 LEU HDx% 1.0 1.8 4.79 317 259 A 59 LEU HA A 59 LEU HDx% 1.0 1.8 4.10 318 260 A 59 LEU HBx A 59 LEU HDx% 1.0 1.8 3.58 319 261 A 60 LYS H A 59 LEU HDy% 1.0 1.8 4.70 320 262 A 59 LEU H A 59 LEU HDy% 1.0 1.8 4.24 321 263 A 59 LEU HA A 59 LEU HDy% 1.0 1.8 4.10 322 264 A 59 LEU HBx A 59 LEU HDy% 1.0 1.8 3.58 323 265 A 49 ILE H A 49 ILE HG2% 1.0 1.8 3.77 324 266 A 50 LYS H A 49 ILE HG2% 1.0 1.8 3.63 325 267 A 49 ILE HG2% A 49 ILE HA 1.0 1.8 3.28 326 268 A 49 ILE HG2% A 53 ASP HBy 1.0 1.8 4.64 327 269 A 49 ILE HG2% A 46 GLN HBx 1.0 1.8 4.64 328 269 A 49 ILE HG2% A 46 GLN HBy 1.0 1.8 4.64 329 270 A 49 ILE HG2% A 60 LYS HGx 1.0 1.8 4.29 330 270 A 49 ILE HG2% A 60 LYS HGy 1.0 1.8 4.29 331 271 A 49 ILE HG1y A 49 ILE HG2% 1.0 1.8 3.61 332 272 A 49 ILE HG1x A 49 ILE HG2% 1.0 1.8 3.24 333 273 A 28 GLU H A 27 LEU HDx% 1.0 1.8 4.47 334 274 A 27 LEU HDx% A 26 ASN HA 1.0 1.8 4.24 335 275 A 27 LEU HDx% A 24 ASP HA 1.0 1.8 3.82 336 276 A 27 LEU HDx% A 25 GLU HBx 1.0 1.8 4.17 337 276 A 27 LEU HDx% A 25 GLU HBy 1.0 1.8 4.17 338 277 A 27 LEU HDx% A 27 LEU HBx 1.0 1.8 3.21 339 278 A 27 LEU HBy A 27 LEU HDx% 1.0 1.8 2.70 340 279 A 27 LEU H A 27 LEU HDy% 1.0 1.8 4.76 341 280 A 24 ASP HA A 27 LEU HDy% 1.0 1.8 4.50 342 281 A 27 LEU HBx A 27 LEU HDy% 1.0 1.8 3.05 343 282 A 59 LEU H A 36 LEU HDy% 1.0 1.8 4.26 344 283 A 36 LEU H A 36 LEU HDy% 1.0 1.8 4.09 345 284 A 58 TYR HD% A 36 LEU HDy% 1.0 1.8 5.26 346 285 A 58 TYR HBx A 36 LEU HDy% 1.0 1.8 4.34 347 286 A 60 LYS HEy A 36 LEU HDy% 1.0 1.8 4.37 348 286 A 36 LEU HDy% A 60 LYS HEx 1.0 1.8 4.37 349 287 A 36 LEU HBx A 36 LEU HDy% 1.0 1.8 3.36 350 288 A 36 LEU HBy A 36 LEU HDy% 1.0 1.8 3.28 351 289 A 14 GLY H A 11 VAL HG1% 1.0 1.8 5.40 352 290 A 11 VAL HG1% A 11 VAL H 1.0 1.8 3.95 353 291 A 11 VAL HG1% A 12 CYS H 1.0 1.8 3.92 354 292 A 50 LYS H A 11 VAL HG1% 1.0 1.8 4.43 355 293 A 44 CYS HA A 11 VAL HG1% 1.0 1.8 4.70 356 294 A 11 VAL HG1% A 12 CYS HA 1.0 1.8 3.78 357 295 A 11 VAL HG1% A 11 VAL HA 1.0 1.8 2.96 358 296 A 11 VAL HG1% A 12 CYS HBy 1.0 1.8 4.40 359 297 A 50 LYS HBy A 11 VAL HG1% 1.0 1.8 5.19 360 298 A 15 ALA HB% A 11 VAL HG1% 1.0 1.8 3.54 361 299 A 36 LEU H A 36 LEU HDx% 1.0 1.8 4.09 362 300 A 58 TYR HBx A 36 LEU HDx% 1.0 1.8 4.34 363 301 A 60 LYS HEy A 36 LEU HDx% 1.0 1.8 4.37 364 301 A 36 LEU HDx% A 60 LYS HEx 1.0 1.8 4.37 365 302 A 36 LEU HBx A 36 LEU HDx% 1.0 1.8 3.36 366 303 A 36 LEU HBy A 36 LEU HDx% 1.0 1.8 3.28 367 304 A 11 VAL HG2% A 11 VAL H 1.0 1.8 3.20 368 305 A 12 CYS H A 11 VAL HG2% 1.0 1.8 3.91 369 306 A 11 VAL HG2% A 11 VAL HA 1.0 1.8 2.88 370 307 A 11 VAL HG2% A 10 GLN HGx 1.0 1.8 4.16 371 307 A 10 GLN HGy A 11 VAL HG2% 1.0 1.8 4.16 372 308 A 50 LYS HBy A 11 VAL HG2% 1.0 1.8 4.92 373 309 A 11 VAL HG2% A 60 LYS HDx 1.0 1.8 4.35 374 309 A 11 VAL HG2% A 60 LYS HDy 1.0 1.8 4.35 375 310 A 76 THR HG2% A 77 ALA H 1.0 1.8 4.66 376 311 A 75 THR HG2% A 78 LYS H 1.0 1.8 5.17 377 312 A 75 THR HG2% A 75 THR HA 1.0 1.8 3.58 378 313 A 76 THR HG2% A 76 THR HA 1.0 1.8 3.86 379 314 A 75 THR HG2% A 78 LYS HBy 1.0 1.8 4.27 380 315 A 75 THR HG2% A 78 LYS HBx 1.0 1.8 4.27 381 316 A 75 THR HG2% A 78 LYS HGx 1.0 1.8 3.07 382 316 A 75 THR HG2% A 78 LYS HGy 1.0 1.8 3.07 383 317 A 51 TYR H A 49 ILE HG1y 1.0 1.8 5.97 384 318 A 67 ALA HB% A 67 ALA H 1.0 1.8 3.35 385 319 A 67 ALA HB% A 68 GLY H 1.0 1.8 3.87 386 320 A 38 SER H A 37 ARG HGx 1.0 1.8 4.16 387 320 A 38 SER H A 37 ARG HGy 1.0 1.8 4.16 388 321 A 49 ILE HG2% A 50 LYS HGx 1.0 1.8 4.54 389 321 A 49 ILE HG2% A 50 LYS HGy 1.0 1.8 4.54 390 322 A 30 ALA H A 30 ALA HB% 1.0 1.8 2.99 391 323 A 30 ALA HB% A 33 CYS H 1.0 1.8 4.60 392 324 A 60 LYS HEx A 60 LYS HGx 1.0 1.8 3.36 393 324 A 60 LYS HEy A 60 LYS HGx 1.0 1.8 3.36 394 324 A 60 LYS HGy A 60 LYS HEx 1.0 1.8 3.36 395 324 A 60 LYS HEy A 60 LYS HGy 1.0 1.8 3.36 396 325 A 60 LYS HBy A 60 LYS HGx 1.0 1.8 2.79 397 325 A 60 LYS HBx A 60 LYS HGx 1.0 1.8 2.79 398 325 A 60 LYS HGy A 60 LYS HBx 1.0 1.8 2.79 399 325 A 60 LYS HGy A 60 LYS HBy 1.0 1.8 2.79 400 326 A 11 VAL HG1% A 60 LYS HGx 1.0 1.8 5.08 401 326 A 11 VAL HG1% A 60 LYS HGy 1.0 1.8 5.08 402 327 A 15 ALA HB% A 17 ASP H 1.0 1.8 5.47 403 328 A 44 CYS HA A 15 ALA HB% 1.0 1.8 4.48 404 329 A 15 ALA HB% A 16 ARG HA 1.0 1.8 4.39 405 330 A 36 LEU HBy A 39 SER HBx 1.0 1.8 5.75 406 330 A 39 SER HBy A 36 LEU HBy 1.0 1.8 5.75 407 331 A 23 LEU HBx A 33 CYS HBx 1.0 1.8 4.25 408 331 A 33 CYS HBy A 23 LEU HBx 1.0 1.8 4.25 409 331 A 33 CYS HBy A 23 LEU HBy 1.0 1.8 4.25 410 331 A 23 LEU HBy A 33 CYS HBx 1.0 1.8 4.25 411 332 A 78 LYS H A 78 LYS HDx 1.0 1.8 4.54 412 332 A 78 LYS H A 78 LYS HDy 1.0 1.8 4.54 413 333 A 36 LEU H A 35 LYS HDx 1.0 1.8 4.96 414 333 A 36 LEU H A 35 LYS HDy 1.0 1.8 4.96 415 334 A 51 TYR H A 50 LYS HDx 1.0 1.8 6.00 416 334 A 51 TYR H A 50 LYS HDy 1.0 1.8 6.00 417 335 A 78 LYS HA A 78 LYS HDx 1.0 1.8 4.40 418 335 A 78 LYS HDy A 78 LYS HA 1.0 1.8 4.40 419 336 A 50 LYS HDx A 50 LYS HEx 1.0 1.8 2.71 420 336 A 50 LYS HDy A 50 LYS HEx 1.0 1.8 2.71 421 336 A 50 LYS HEy A 50 LYS HDx 1.0 1.8 2.71 422 336 A 50 LYS HDy A 50 LYS HEy 1.0 1.8 2.71 423 337 A 25 GLU HBx A 60 LYS HDx 1.0 1.8 4.02 424 337 A 25 GLU HBy A 60 LYS HDx 1.0 1.8 4.02 425 337 A 60 LYS HDy A 25 GLU HBx 1.0 1.8 4.02 426 337 A 25 GLU HBy A 60 LYS HDy 1.0 1.8 4.02 427 338 A 50 LYS HDx A 50 LYS HGx 1.0 1.8 2.57 428 338 A 50 LYS HDy A 50 LYS HGx 1.0 1.8 2.57 429 338 A 50 LYS HGy A 50 LYS HDx 1.0 1.8 2.57 430 338 A 50 LYS HDy A 50 LYS HGy 1.0 1.8 2.57 431 339 A 78 LYS HDy A 78 LYS HGx 1.0 1.8 2.77 432 339 A 78 LYS HDx A 78 LYS HGx 1.0 1.8 2.77 433 339 A 78 LYS HGy A 78 LYS HDx 1.0 1.8 2.77 434 339 A 78 LYS HGy A 78 LYS HDy 1.0 1.8 2.77 435 340 A 34 LYS HBy A 34 LYS HDx 1.0 1.8 2.75 436 340 A 34 LYS HBx A 34 LYS HDx 1.0 1.8 2.75 437 340 A 34 LYS HDy A 34 LYS HBx 1.0 1.8 2.75 438 340 A 34 LYS HBy A 34 LYS HDy 1.0 1.8 2.75 439 341 A 35 LYS HBx A 35 LYS HDx 1.0 1.8 3.00 440 341 A 35 LYS HBy A 35 LYS HDx 1.0 1.8 3.00 441 341 A 35 LYS HDy A 35 LYS HBx 1.0 1.8 3.00 442 341 A 35 LYS HBy A 35 LYS HDy 1.0 1.8 3.00 443 342 A 51 TYR H A 50 LYS HBy 1.0 1.8 3.93 444 343 A 36 LEU HG A 36 LEU HA 1.0 1.8 3.80 445 344 A 51 TYR H A 49 ILE HB 1.0 1.8 4.68 446 345 A 49 ILE HB A 50 LYS HA 1.0 1.8 4.70 447 346 A 49 ILE HD1% A 41 GLU HBx 1.0 1.8 5.65 448 346 A 41 GLU HBy A 49 ILE HD1% 1.0 1.8 5.65 449 347 A 16 ARG H A 18 GLU HBx 1.0 1.8 4.69 450 347 A 18 GLU HBy A 16 ARG H 1.0 1.8 4.69 451 348 A 25 GLU H A 25 GLU HGx 1.0 1.8 3.87 452 349 A 48 TRP H A 47 GLN HGx 1.0 1.8 4.31 453 349 A 48 TRP H A 47 GLN HGy 1.0 1.8 4.31 454 350 A 74 GLU HA A 74 GLU HGx 1.0 1.8 3.66 455 350 A 74 GLU HGy A 74 GLU HA 1.0 1.8 3.66 456 351 A 47 GLN HA A 47 GLN HGx 1.0 1.8 3.30 457 351 A 47 GLN HGy A 47 GLN HA 1.0 1.8 3.30 458 352 A 25 GLU H A 25 GLU HGy 1.0 1.8 3.87 459 353 A 26 ASN H A 25 GLU HGy 1.0 1.8 4.42 460 354 A 18 GLU HA A 18 GLU HGy 1.0 1.8 3.36 461 355 A 46 GLN HBy A 46 GLN HGx 1.0 1.8 2.70 462 355 A 46 GLN HBx A 46 GLN HGx 1.0 1.8 2.70 463 355 A 46 GLN HGy A 46 GLN HBx 1.0 1.8 2.70 464 355 A 46 GLN HGy A 46 GLN HBy 1.0 1.8 2.70 465 356 A 11 VAL HG2% A 46 GLN HGx 1.0 1.8 4.65 466 356 A 46 GLN HGy A 11 VAL HG2% 1.0 1.8 4.65 467 357 A 49 ILE HD1% A 44 CYS HBx 1.0 1.8 4.53 468 358 A 25 GLU H A 24 ASP HBx 1.0 1.8 4.19 469 359 A 36 LEU HBx A 60 LYS HEx 1.0 1.8 3.97 470 359 A 36 LEU HBx A 60 LYS HEy 1.0 1.8 3.97 471 360 A 60 LYS HBy A 60 LYS HEx 1.0 1.8 3.29 472 360 A 60 LYS HBx A 60 LYS HEx 1.0 1.8 3.29 473 360 A 60 LYS HEy A 60 LYS HBx 1.0 1.8 3.29 474 360 A 60 LYS HEy A 60 LYS HBy 1.0 1.8 3.29 475 361 A 60 LYS HDy A 60 LYS HEx 1.0 1.8 2.40 476 361 A 60 LYS HDx A 60 LYS HEx 1.0 1.8 2.40 477 361 A 60 LYS HEy A 60 LYS HDx 1.0 1.8 2.40 478 361 A 60 LYS HEy A 60 LYS HDy 1.0 1.8 2.40 479 362 A 34 LYS HBy A 34 LYS HEx 1.0 1.8 3.60 480 362 A 34 LYS HBx A 34 LYS HEx 1.0 1.8 3.60 481 362 A 34 LYS HEy A 34 LYS HBx 1.0 1.8 3.60 482 362 A 34 LYS HBy A 34 LYS HEy 1.0 1.8 3.60 483 363 A 59 LEU H A 58 TYR HBx 1.0 1.8 4.68 484 364 A 28 GLU HA A 28 GLU HGx 1.0 1.8 4.13 485 364 A 28 GLU HGy A 28 GLU HA 1.0 1.8 4.13 486 365 A 50 LYS HA A 49 ILE HA 1.0 1.8 4.81 487 366 A 49 ILE HG1y A 49 ILE HA 1.0 1.8 4.07 488 367 A 49 ILE HG1x A 49 ILE HA 1.0 1.8 3.52 489 368 A 15 ALA HB% A 11 VAL HA 1.0 1.8 4.60 490 369 A 67 ALA HA A 68 GLY HAx 1.0 1.8 4.58 491 369 A 67 ALA HA A 68 GLY HAy 1.0 1.8 4.58 492 370 A 69 GLN HA A 68 GLY HAx 1.0 1.8 4.89 493 370 A 68 GLY HAy A 69 GLN HA 1.0 1.8 4.89 494 371 A 72 PRO HA A 73 SER HBx 1.0 1.8 3.88 495 371 A 72 PRO HA A 73 SER HBy 1.0 1.8 3.88 496 372 A 49 ILE H A 46 GLN HA 1.0 1.8 3.82 497 373 A 50 LYS H A 46 GLN HA 1.0 1.8 4.17 498 374 A 46 GLN HA A 46 GLN HGx 1.0 1.8 3.49 499 374 A 46 GLN HGy A 46 GLN HA 1.0 1.8 3.49 500 375 A 49 ILE HB A 46 GLN HA 1.0 1.8 3.40 501 376 A 49 ILE HG1y A 46 GLN HA 1.0 1.8 4.42 502 377 A 46 GLN HA A 49 ILE HG2% 1.0 1.8 4.01 503 378 A 46 GLN HA A 49 ILE HD1% 1.0 1.8 3.20 504 379 A 13 TRP HBx A 14 GLY HAx 1.0 1.8 4.52 505 379 A 13 TRP HBy A 14 GLY HAx 1.0 1.8 4.52 506 379 A 14 GLY HAy A 13 TRP HBx 1.0 1.8 4.52 507 379 A 13 TRP HBy A 14 GLY HAy 1.0 1.8 4.52 508 380 A 10 GLN HA A 10 GLN HGx 1.0 1.8 3.41 509 380 A 10 GLN HGy A 10 GLN HA 1.0 1.8 3.41 510 381 A 18 GLU HA A 18 GLU HGx 1.0 1.8 3.36 511 382 A 18 GLU HA A 18 GLU HBx 1.0 1.8 2.91 512 382 A 18 GLU HBy A 18 GLU HA 1.0 1.8 2.91 513 383 A 27 LEU HA A 28 GLU HA 1.0 1.8 4.68 514 384 A 27 LEU HA A 27 LEU HG 1.0 1.8 3.56 515 385 A 25 GLU HA A 25 GLU HBx 1.0 1.8 2.72 516 385 A 25 GLU HBy A 25 GLU HA 1.0 1.8 2.72 517 386 A 33 CYS HA A 33 CYS HBx 1.0 1.8 2.69 518 386 A 33 CYS HBy A 33 CYS HA 1.0 1.8 2.69 519 387 A 50 LYS HBy A 50 LYS HA 1.0 1.8 3.00 520 388 A 50 LYS HA A 50 LYS HDx 1.0 1.8 2.78 521 388 A 50 LYS HDy A 50 LYS HA 1.0 1.8 2.78 522 389 A 17 ASP H A 15 ALA HA 1.0 1.8 4.69 523 390 A 18 GLU H A 15 ALA HA 1.0 1.8 3.97 524 391 A 11 VAL HG1% A 15 ALA HA 1.0 1.8 5.31 525 392 A 31 SER HA A 31 SER HBx 1.0 1.8 2.67 526 392 A 31 SER HBy A 31 SER HA 1.0 1.8 2.67 527 393 A 40 PHE HA A 40 PHE HD% 1.0 1.8 3.92 528 394 A 36 LEU HA A 39 SER HBx 1.0 1.8 3.42 529 394 A 39 SER HBy A 36 LEU HA 1.0 1.8 3.42 530 395 A 73 SER HA A 73 SER HBx 1.0 1.8 2.70 531 395 A 73 SER HBy A 73 SER HA 1.0 1.8 2.70 532 396 A 49 ILE HD1% A 49 ILE HA 1.0 1.8 3.90 533 397 A 58 TYR HE% A 59 LEU HDy% 1.0 1.8 4.86 534 398 A 49 ILE HG2% A 50 LYS HA 1.0 1.8 3.85 535 399 A 49 ILE HG2% A 50 LYS HDx 1.0 1.8 4.88 536 399 A 50 LYS HDy A 49 ILE HG2% 1.0 1.8 4.88 537 400 A 49 ILE HG2% A 60 LYS HDx 1.0 1.8 5.51 538 400 A 49 ILE HG2% A 60 LYS HDy 1.0 1.8 5.51 539 401 A 23 LEU HDx% A 23 LEU HBx 1.0 1.8 3.36 540 401 A 23 LEU HBy A 23 LEU HDx% 1.0 1.8 3.36 541 402 A 27 LEU HA A 27 LEU HDy% 1.0 1.8 3.86 542 403 A 57 ASP HA A 36 LEU HDx% 1.0 1.8 4.52 543 404 A 58 TYR HBy A 36 LEU HDx% 1.0 1.8 4.30 544 405 A 23 LEU H A 37 ARG HGx 1.0 1.8 4.44 545 405 A 23 LEU H A 37 ARG HGy 1.0 1.8 4.44 546 406 A 22 CYS HBy A 37 ARG HGx 1.0 1.8 4.08 547 406 A 37 ARG HGy A 22 CYS HBx 1.0 1.8 4.08 548 406 A 22 CYS HBy A 37 ARG HGy 1.0 1.8 4.08 549 406 A 22 CYS HBx A 37 ARG HGx 1.0 1.8 4.08 550 407 A 11 VAL HG1% A 50 LYS HGx 1.0 1.8 4.34 551 407 A 11 VAL HG1% A 50 LYS HGy 1.0 1.8 4.34 552 408 A 34 LYS HA A 34 LYS HGx 1.0 1.8 3.99 553 409 A 60 LYS HA A 60 LYS HGx 1.0 1.8 3.89 554 409 A 60 LYS HGy A 60 LYS HA 1.0 1.8 3.89 555 410 A 18 GLU H A 15 ALA HB% 1.0 1.8 4.66 556 411 A 15 ALA HB% A 40 PHE HBy 1.0 1.8 4.21 557 412 A 34 LYS HA A 34 LYS HGy 1.0 1.8 3.99 558 413 A 46 GLN HGy A 50 LYS HDx 1.0 1.8 3.76 559 413 A 46 GLN HGx A 50 LYS HDx 1.0 1.8 3.76 560 413 A 50 LYS HDy A 46 GLN HGx 1.0 1.8 3.76 561 413 A 46 GLN HGy A 50 LYS HDy 1.0 1.8 3.76 562 414 A 11 VAL H A 10 GLN HGx 1.0 1.8 4.80 563 414 A 10 GLN HGy A 11 VAL H 1.0 1.8 4.80 564 415 A 50 LYS HA A 46 GLN HGx 1.0 1.8 4.22 565 415 A 46 GLN HGy A 50 LYS HA 1.0 1.8 4.22 566 416 A 49 ILE HB A 46 GLN HGx 1.0 1.8 3.61 567 416 A 49 ILE HB A 46 GLN HGy 1.0 1.8 3.61 568 417 A 71 GLU H A 70 PHE HBx 1.0 1.8 4.11 569 418 A 58 TYR HBy A 61 PHE HD% 1.0 1.8 4.79 570 419 A 66 GLU H A 66 GLU HGx 1.0 1.8 4.83 571 419 A 66 GLU H A 66 GLU HGy 1.0 1.8 4.83 572 420 A 37 ARG HA A 22 CYS HBx 1.0 1.8 4.70 573 420 A 22 CYS HBy A 37 ARG HA 1.0 1.8 4.70 574 421 A 51 TYR H A 52 PHE HBx 1.0 1.8 4.95 575 421 A 51 TYR H A 52 PHE HBy 1.0 1.8 4.95 576 422 A 61 PHE HD% A 59 LEU HA 1.0 1.8 4.73 577 423 A 59 LEU HA A 23 LEU HDx% 1.0 1.8 5.51 578 424 A 59 LEU HA A 23 LEU HDy% 1.0 1.8 5.51 579 425 A 32 GLN H A 30 ALA HA 1.0 1.8 4.03 580 426 A 30 ALA HA A 31 SER HBx 1.0 1.8 5.26 581 426 A 31 SER HBy A 30 ALA HA 1.0 1.8 5.26 582 427 A 43 SER HBx A 45 PRO HGx 1.0 1.8 4.21 583 427 A 43 SER HBy A 45 PRO HGx 1.0 1.8 4.21 584 427 A 45 PRO HGy A 43 SER HBx 1.0 1.8 4.21 585 427 A 43 SER HBy A 45 PRO HGy 1.0 1.8 4.21 586 428 A 27 LEU HDx% A 27 LEU HA 1.0 1.8 3.18 587 429 A 50 LYS HA A 50 LYS HEx 1.0 1.8 3.59 588 429 A 50 LYS HA A 50 LYS HEy 1.0 1.8 3.59 589 430 A 61 PHE HD% A 58 TYR HA 1.0 1.8 3.27 590 431 A 59 LEU HA A 58 TYR HA 1.0 1.8 4.68 591 432 A 39 SER HA A 39 SER HBx 1.0 1.8 2.94 592 432 A 39 SER HBy A 39 SER HA 1.0 1.8 2.94 593 433 A 36 LEU HG A 57 ASP HA 1.0 1.8 4.07 594 434 A 11 VAL H A 10 GLN HBx 1.0 1.8 4.17 595 434 A 11 VAL H A 10 GLN HBy 1.0 1.8 4.17 596 435 A 60 LYS H A 23 LEU HDy% 1.0 1.8 5.06 597 436 A 23 LEU HBx A 23 LEU HDy% 1.0 1.8 3.36 598 436 A 23 LEU HBy A 23 LEU HDy% 1.0 1.8 3.36 599 437 A 49 ILE HD1% A 50 LYS HGx 1.0 1.8 5.38 600 437 A 49 ILE HD1% A 50 LYS HGy 1.0 1.8 5.38 601 438 A 28 GLU H A 59 LEU HDy% 1.0 1.8 4.79 602 439 A 49 ILE HG2% A 53 ASP HBx 1.0 1.8 4.64 603 440 A 60 LYS H A 23 LEU HDx% 1.0 1.8 5.06 604 441 A 40 PHE H A 49 ILE HG2% 1.0 1.8 4.44 605 442 A 58 TYR HE% A 59 LEU HDx% 1.0 1.8 4.86 606 443 A 40 PHE HBy A 49 ILE HG2% 1.0 1.8 4.86 607 444 A 27 LEU H A 23 LEU HDx% 1.0 1.8 5.52 608 445 A 27 LEU HDx% A 26 ASN HBy 1.0 1.8 4.64 609 446 A 57 ASP HA A 36 LEU HDy% 1.0 1.8 4.52 610 447 A 58 TYR HBy A 36 LEU HDy% 1.0 1.8 4.30 611 448 A 58 TYR HD% A 36 LEU HDx% 1.0 1.8 5.26 612 449 A 75 THR HG2% A 78 LYS HEx 1.0 1.8 4.76 613 449 A 75 THR HG2% A 78 LYS HEy 1.0 1.8 4.76 614 450 A 37 ARG H A 36 LEU HDx% 1.0 1.8 4.81 615 451 A 17 ASP HA A 16 ARG HBx 1.0 1.8 4.67 616 451 A 16 ARG HBy A 17 ASP HA 1.0 1.8 4.67 617 452 A 36 LEU HG A 58 TYR HD% 1.0 1.8 5.83 618 453 A 36 LEU HG A 37 ARG H 1.0 1.8 5.11 619 454 A 12 CYS H A 10 GLN HGx 1.0 1.8 5.93 620 454 A 12 CYS H A 10 GLN HGy 1.0 1.8 5.93 621 455 A 61 PHE HD% A 58 TYR HBx 1.0 1.8 5.16 622 456 A 49 ILE HG1x A 43 SER HBx 1.0 1.8 5.13 623 456 A 43 SER HBy A 49 ILE HG1x 1.0 1.8 5.13 624 457 A 29 ASP H A 59 LEU HDy% 1.0 1.8 5.08 625 458 A 27 LEU H A 23 LEU HDy% 1.0 1.8 5.52 626 459 A 1 MET HE% A 1 MET HGx 1.0 1.8 3.31 627 459 A 1 MET HGy A 1 MET HE% 1.0 1.8 3.31 628 460 A 25 GLU HA A 10 GLN HE2y 1.0 1.8 5.04 629 460 A 25 GLU HA A 10 GLN HE2x 1.0 1.8 5.04 630 461 A 10 GLN HE2y A 25 GLU HBx 1.0 1.8 5.28 631 461 A 10 GLN HE2x A 25 GLU HBx 1.0 1.8 5.28 632 461 A 25 GLU HBy A 10 GLN HE2y 1.0 1.8 5.28 633 461 A 25 GLU HBy A 10 GLN HE2x 1.0 1.8 5.28 634 462 A 10 GLN HE2x A 25 GLU HGy 1.0 1.8 5.27 635 462 A 10 GLN HE2y A 25 GLU HGy 1.0 1.8 5.27 636 462 A 25 GLU HGx A 10 GLN HE2y 1.0 1.8 5.27 637 462 A 10 GLN HE2x A 25 GLU HGx 1.0 1.8 5.27 638 463 A 10 GLN HE2x A 60 LYS HGx 1.0 1.8 5.49 639 463 A 10 GLN HE2y A 60 LYS HGx 1.0 1.8 5.49 640 463 A 60 LYS HGy A 10 GLN HE2y 1.0 1.8 5.49 641 463 A 60 LYS HGy A 10 GLN HE2x 1.0 1.8 5.49 642 464 A 10 GLN HE2y A 60 LYS HDx 1.0 1.8 4.73 643 464 A 10 GLN HE2x A 60 LYS HDx 1.0 1.8 4.73 644 464 A 60 LYS HDy A 10 GLN HE2y 1.0 1.8 4.73 645 464 A 60 LYS HDy A 10 GLN HE2x 1.0 1.8 4.73 646 465 A 11 VAL HG1% A 45 PRO HDx 1.0 1.8 5.74 647 465 A 11 VAL HG1% A 45 PRO HDy 1.0 1.8 5.74 648 466 A 15 ALA HA A 18 GLU HGx 1.0 1.8 4.08 649 466 A 15 ALA HA A 18 GLU HGy 1.0 1.8 4.08 650 467 A 16 ARG HBx A 17 ASP HBy 1.0 1.8 4.68 651 467 A 16 ARG HBy A 17 ASP HBy 1.0 1.8 4.68 652 467 A 17 ASP HBx A 16 ARG HBx 1.0 1.8 4.68 653 467 A 16 ARG HBy A 17 ASP HBx 1.0 1.8 4.68 654 468 A 17 ASP H A 16 ARG HGy 1.0 1.8 4.34 655 468 A 17 ASP H A 16 ARG HGx 1.0 1.8 4.34 656 469 A 18 GLU H A 17 ASP HBy 1.0 1.8 3.39 657 469 A 18 GLU H A 17 ASP HBx 1.0 1.8 3.39 658 470 A 18 GLU HA A 17 ASP HBy 1.0 1.8 4.16 659 470 A 18 GLU HA A 17 ASP HBx 1.0 1.8 4.16 660 471 A 17 ASP HBy A 18 GLU HGx 1.0 1.8 4.09 661 471 A 17 ASP HBx A 18 GLU HGx 1.0 1.8 4.09 662 471 A 18 GLU HGy A 17 ASP HBy 1.0 1.8 4.09 663 471 A 18 GLU HGy A 17 ASP HBx 1.0 1.8 4.09 664 472 A 18 GLU H A 18 GLU HGx 1.0 1.8 3.34 665 472 A 18 GLU H A 18 GLU HGy 1.0 1.8 3.34 666 473 A 18 GLU HGy A 24 ASP HBy 1.0 1.8 3.30 667 473 A 18 GLU HGx A 24 ASP HBy 1.0 1.8 3.30 668 473 A 24 ASP HBx A 18 GLU HGx 1.0 1.8 3.30 669 473 A 18 GLU HGy A 24 ASP HBx 1.0 1.8 3.30 670 474 A 20 TRP H A 19 TYR HBy 1.0 1.8 4.01 671 474 A 20 TRP H A 19 TYR HBx 1.0 1.8 4.01 672 475 A 20 TRP H A 20 TRP HBy 1.0 1.8 3.29 673 475 A 20 TRP H A 20 TRP HBx 1.0 1.8 3.29 674 476 A 23 LEU HBx A 23 LEU HDy% 1.0 1.8 2.80 675 476 A 23 LEU HBy A 23 LEU HDy% 1.0 1.8 2.80 676 476 A 23 LEU HDx% A 23 LEU HBx 1.0 1.8 2.80 677 476 A 23 LEU HBy A 23 LEU HDx% 1.0 1.8 2.80 678 477 A 27 LEU H A 23 LEU HDy% 1.0 1.8 4.54 679 477 A 27 LEU H A 23 LEU HDx% 1.0 1.8 4.54 680 478 A 23 LEU HDy% A 33 CYS HBx 1.0 1.8 3.97 681 478 A 23 LEU HDx% A 33 CYS HBx 1.0 1.8 3.97 682 478 A 33 CYS HBy A 23 LEU HDy% 1.0 1.8 3.97 683 478 A 33 CYS HBy A 23 LEU HDx% 1.0 1.8 3.97 684 479 A 23 LEU HDy% A 36 LEU HDy% 1.0 1.8 3.93 685 479 A 23 LEU HDx% A 36 LEU HDy% 1.0 1.8 3.93 686 479 A 36 LEU HDx% A 23 LEU HDy% 1.0 1.8 3.93 687 479 A 23 LEU HDx% A 36 LEU HDx% 1.0 1.8 3.93 688 480 A 58 TYR HBx A 23 LEU HDy% 1.0 1.8 3.93 689 480 A 58 TYR HBx A 23 LEU HDx% 1.0 1.8 3.93 690 481 A 58 TYR HE% A 23 LEU HDy% 1.0 1.8 5.60 691 481 A 58 TYR HE% A 23 LEU HDx% 1.0 1.8 5.60 692 482 A 59 LEU HA A 23 LEU HDy% 1.0 1.8 4.72 693 482 A 59 LEU HA A 23 LEU HDx% 1.0 1.8 4.72 694 483 A 59 LEU HBy A 23 LEU HDy% 1.0 1.8 3.37 695 483 A 59 LEU HBy A 23 LEU HDx% 1.0 1.8 3.37 696 484 A 23 LEU HDy% A 59 LEU HDy% 1.0 1.8 4.16 697 484 A 59 LEU HDx% A 23 LEU HDy% 1.0 1.8 4.16 698 484 A 23 LEU HDx% A 59 LEU HDx% 1.0 1.8 4.16 699 484 A 23 LEU HDx% A 59 LEU HDy% 1.0 1.8 4.16 700 485 A 60 LYS H A 23 LEU HDy% 1.0 1.8 4.10 701 485 A 60 LYS H A 23 LEU HDx% 1.0 1.8 4.10 702 486 A 23 LEU HDx% A 60 LYS HEx 1.0 1.8 3.89 703 486 A 23 LEU HDy% A 60 LYS HEx 1.0 1.8 3.89 704 486 A 60 LYS HEy A 23 LEU HDy% 1.0 1.8 3.89 705 486 A 60 LYS HEy A 23 LEU HDx% 1.0 1.8 3.89 706 487 A 25 GLU H A 24 ASP HBy 1.0 1.8 3.55 707 487 A 25 GLU H A 24 ASP HBx 1.0 1.8 3.55 708 488 A 25 GLU H A 25 GLU HGy 1.0 1.8 3.18 709 488 A 25 GLU H A 25 GLU HGx 1.0 1.8 3.18 710 489 A 25 GLU HBy A 59 LEU HDy% 1.0 1.8 4.93 711 489 A 25 GLU HBx A 59 LEU HDy% 1.0 1.8 4.93 712 489 A 59 LEU HDx% A 25 GLU HBx 1.0 1.8 4.93 713 489 A 25 GLU HBy A 59 LEU HDx% 1.0 1.8 4.93 714 490 A 26 ASN HD2y A 25 GLU HGy 1.0 1.8 4.10 715 490 A 25 GLU HGx A 26 ASN HD2y 1.0 1.8 4.10 716 491 A 26 ASN HD2x A 25 GLU HGy 1.0 1.8 4.78 717 491 A 26 ASN HD2x A 25 GLU HGx 1.0 1.8 4.78 718 492 A 25 GLU HGx A 60 LYS HDx 1.0 1.8 3.43 719 492 A 25 GLU HGy A 60 LYS HDx 1.0 1.8 3.43 720 492 A 60 LYS HDy A 25 GLU HGy 1.0 1.8 3.43 721 492 A 60 LYS HDy A 25 GLU HGx 1.0 1.8 3.43 722 493 A 25 GLU HGy A 60 LYS HEx 1.0 1.8 4.37 723 493 A 25 GLU HGx A 60 LYS HEx 1.0 1.8 4.37 724 493 A 60 LYS HEy A 25 GLU HGy 1.0 1.8 4.37 725 493 A 60 LYS HEy A 25 GLU HGx 1.0 1.8 4.37 726 494 A 26 ASN H A 59 LEU HDy% 1.0 1.8 4.93 727 494 A 26 ASN H A 59 LEU HDx% 1.0 1.8 4.93 728 495 A 26 ASN HBy A 59 LEU HDy% 1.0 1.8 4.40 729 495 A 26 ASN HBy A 59 LEU HDx% 1.0 1.8 4.40 730 496 A 26 ASN HD2y A 59 LEU HDy% 1.0 1.8 5.14 731 496 A 59 LEU HDx% A 26 ASN HD2y 1.0 1.8 5.14 732 497 A 27 LEU H A 59 LEU HDy% 1.0 1.8 4.46 733 497 A 27 LEU H A 59 LEU HDx% 1.0 1.8 4.46 734 498 A 28 GLU H A 28 GLU HBy 1.0 1.8 3.28 735 498 A 28 GLU H A 28 GLU HBx 1.0 1.8 3.28 736 499 A 28 GLU H A 59 LEU HDy% 1.0 1.8 3.86 737 499 A 28 GLU H A 59 LEU HDx% 1.0 1.8 3.86 738 500 A 28 GLU HA A 59 LEU HDy% 1.0 1.8 4.33 739 500 A 28 GLU HA A 59 LEU HDx% 1.0 1.8 4.33 740 501 A 28 GLU HBy A 28 GLU HGx 1.0 1.8 2.31 741 501 A 28 GLU HGy A 28 GLU HBy 1.0 1.8 2.31 742 501 A 28 GLU HGy A 28 GLU HBx 1.0 1.8 2.31 743 501 A 28 GLU HBx A 28 GLU HGx 1.0 1.8 2.31 744 502 A 29 ASP H A 28 GLU HBy 1.0 1.8 4.27 745 502 A 29 ASP H A 28 GLU HBx 1.0 1.8 4.27 746 503 A 28 GLU HBx A 59 LEU HDy% 1.0 1.8 3.76 747 503 A 28 GLU HBy A 59 LEU HDy% 1.0 1.8 3.76 748 503 A 59 LEU HDx% A 28 GLU HBy 1.0 1.8 3.76 749 503 A 59 LEU HDx% A 28 GLU HBx 1.0 1.8 3.76 750 504 A 29 ASP H A 59 LEU HDy% 1.0 1.8 3.97 751 504 A 29 ASP H A 59 LEU HDx% 1.0 1.8 3.97 752 505 A 29 ASP HBy A 59 LEU HDy% 1.0 1.8 4.54 753 505 A 29 ASP HBy A 59 LEU HDx% 1.0 1.8 4.54 754 506 A 29 ASP HBx A 59 LEU HDy% 1.0 1.8 3.78 755 506 A 29 ASP HBx A 59 LEU HDx% 1.0 1.8 3.78 756 507 A 30 ALA H A 59 LEU HDy% 1.0 1.8 3.96 757 507 A 30 ALA H A 59 LEU HDx% 1.0 1.8 3.96 758 508 A 30 ALA HA A 59 LEU HDy% 1.0 1.8 3.62 759 508 A 30 ALA HA A 59 LEU HDx% 1.0 1.8 3.62 760 509 A 34 LYS H A 34 LYS HGx 1.0 1.8 4.64 761 509 A 34 LYS H A 34 LYS HGy 1.0 1.8 4.64 762 510 A 34 LYS HA A 34 LYS HGx 1.0 1.8 3.44 763 510 A 34 LYS HA A 34 LYS HGy 1.0 1.8 3.44 764 511 A 35 LYS HBx A 36 LEU HDy% 1.0 1.8 4.90 765 511 A 35 LYS HBy A 36 LEU HDy% 1.0 1.8 4.90 766 511 A 36 LEU HDx% A 35 LYS HBx 1.0 1.8 4.90 767 511 A 35 LYS HBy A 36 LEU HDx% 1.0 1.8 4.90 768 512 A 36 LEU H A 36 LEU HDy% 1.0 1.8 3.55 769 512 A 36 LEU H A 36 LEU HDx% 1.0 1.8 3.55 770 513 A 36 LEU HA A 36 LEU HDy% 1.0 1.8 2.85 771 513 A 36 LEU HA A 36 LEU HDx% 1.0 1.8 2.85 772 514 A 36 LEU HBx A 36 LEU HDy% 1.0 1.8 2.76 773 514 A 36 LEU HBx A 36 LEU HDx% 1.0 1.8 2.76 774 515 A 39 SER H A 36 LEU HDy% 1.0 1.8 5.46 775 515 A 39 SER H A 36 LEU HDx% 1.0 1.8 5.46 776 516 A 36 LEU HDx% A 39 SER HBx 1.0 1.8 4.24 777 516 A 36 LEU HDy% A 39 SER HBx 1.0 1.8 4.24 778 516 A 39 SER HBy A 36 LEU HDy% 1.0 1.8 4.24 779 516 A 39 SER HBy A 36 LEU HDx% 1.0 1.8 4.24 780 517 A 57 ASP HA A 36 LEU HDy% 1.0 1.8 3.80 781 517 A 57 ASP HA A 36 LEU HDx% 1.0 1.8 3.80 782 518 A 58 TYR HBy A 36 LEU HDy% 1.0 1.8 3.17 783 518 A 58 TYR HBy A 36 LEU HDx% 1.0 1.8 3.17 784 519 A 58 TYR HBx A 36 LEU HDy% 1.0 1.8 3.28 785 519 A 58 TYR HBx A 36 LEU HDx% 1.0 1.8 3.28 786 520 A 58 TYR HD% A 36 LEU HDy% 1.0 1.8 4.12 787 520 A 58 TYR HD% A 36 LEU HDx% 1.0 1.8 4.12 788 521 A 59 LEU H A 36 LEU HDy% 1.0 1.8 3.31 789 521 A 59 LEU H A 36 LEU HDx% 1.0 1.8 3.31 790 522 A 36 LEU HDy% A 60 LYS HEx 1.0 1.8 3.77 791 522 A 36 LEU HDx% A 60 LYS HEx 1.0 1.8 3.77 792 522 A 60 LYS HEy A 36 LEU HDy% 1.0 1.8 3.77 793 522 A 60 LYS HEy A 36 LEU HDx% 1.0 1.8 3.77 794 523 A 61 PHE HD% A 36 LEU HDy% 1.0 1.8 5.47 795 523 A 61 PHE HD% A 36 LEU HDx% 1.0 1.8 5.47 796 524 A 40 PHE H A 41 GLU HGy 1.0 1.8 5.20 797 524 A 40 PHE H A 41 GLU HGx 1.0 1.8 5.20 798 525 A 41 GLU H A 41 GLU HGy 1.0 1.8 3.08 799 525 A 41 GLU H A 41 GLU HGx 1.0 1.8 3.08 800 526 A 41 GLU HA A 41 GLU HGy 1.0 1.8 3.52 801 526 A 41 GLU HA A 41 GLU HGx 1.0 1.8 3.52 802 527 A 42 SER H A 41 GLU HGy 1.0 1.8 4.04 803 527 A 42 SER H A 41 GLU HGx 1.0 1.8 4.04 804 528 A 43 SER H A 44 CYS HBy 1.0 1.8 5.29 805 528 A 43 SER H A 44 CYS HBx 1.0 1.8 5.29 806 529 A 44 CYS H A 44 CYS HBy 1.0 1.8 3.24 807 529 A 44 CYS H A 44 CYS HBx 1.0 1.8 3.24 808 530 A 49 ILE HD1% A 45 PRO HDx 1.0 1.8 4.63 809 530 A 49 ILE HD1% A 45 PRO HDy 1.0 1.8 4.63 810 531 A 49 ILE HG2% A 46 GLN HE2y 1.0 1.8 4.62 811 531 A 49 ILE HG2% A 46 GLN HE2x 1.0 1.8 4.62 812 532 A 46 GLN HE2x A 50 LYS HDx 1.0 1.8 4.62 813 532 A 46 GLN HE2y A 50 LYS HDx 1.0 1.8 4.62 814 532 A 50 LYS HDy A 46 GLN HE2y 1.0 1.8 4.62 815 532 A 50 LYS HDy A 46 GLN HE2x 1.0 1.8 4.62 816 533 A 49 ILE HG2% A 53 ASP HBy 1.0 1.8 3.86 817 533 A 49 ILE HG2% A 53 ASP HBx 1.0 1.8 3.86 818 534 A 50 LYS H A 53 ASP HBy 1.0 1.8 5.02 819 534 A 50 LYS H A 53 ASP HBx 1.0 1.8 5.02 820 535 A 50 LYS HA A 53 ASP HBy 1.0 1.8 3.93 821 535 A 50 LYS HA A 53 ASP HBx 1.0 1.8 3.93 822 536 A 52 PHE H A 51 TYR HBy 1.0 1.8 4.24 823 536 A 52 PHE H A 51 TYR HBx 1.0 1.8 4.24 824 537 A 57 ASP H A 56 ARG HBy 1.0 1.8 4.09 825 537 A 57 ASP H A 56 ARG HBx 1.0 1.8 4.09 826 538 A 58 TYR H A 56 ARG HBy 1.0 1.8 5.58 827 538 A 58 TYR H A 56 ARG HBx 1.0 1.8 5.58 828 539 A 57 ASP H A 57 ASP HBy 1.0 1.8 3.52 829 539 A 57 ASP H A 57 ASP HBx 1.0 1.8 3.52 830 540 A 58 TYR HA A 59 LEU HDy% 1.0 1.8 4.71 831 540 A 58 TYR HA A 59 LEU HDx% 1.0 1.8 4.71 832 541 A 58 TYR HBy A 59 LEU HDy% 1.0 1.8 4.35 833 541 A 58 TYR HBy A 59 LEU HDx% 1.0 1.8 4.35 834 542 A 58 TYR HD% A 59 LEU HDy% 1.0 1.8 4.47 835 542 A 58 TYR HD% A 59 LEU HDx% 1.0 1.8 4.47 836 543 A 58 TYR HE% A 59 LEU HDy% 1.0 1.8 4.11 837 543 A 58 TYR HE% A 59 LEU HDx% 1.0 1.8 4.11 838 544 A 59 LEU H A 59 LEU HDy% 1.0 1.8 3.17 839 544 A 59 LEU H A 59 LEU HDx% 1.0 1.8 3.17 840 545 A 59 LEU HA A 59 LEU HDy% 1.0 1.8 2.86 841 545 A 59 LEU HA A 59 LEU HDx% 1.0 1.8 2.86 842 546 A 60 LYS H A 59 LEU HDy% 1.0 1.8 3.95 843 546 A 60 LYS H A 59 LEU HDx% 1.0 1.8 3.95 844 547 A 69 GLN HE2x A 69 GLN HBy 1.0 1.8 4.35 845 547 A 69 GLN HE2y A 69 GLN HBx 1.0 1.8 4.35 846 547 A 69 GLN HE2y A 69 GLN HBy 1.0 1.8 4.35 847 547 A 69 GLN HE2x A 69 GLN HBx 1.0 1.8 4.35 848 548 A 69 GLN HE2y A 69 GLN HGx 1.0 1.8 3.34 849 548 A 69 GLN HGy A 69 GLN HE2y 1.0 1.8 3.34 850 548 A 69 GLN HGy A 69 GLN HE2x 1.0 1.8 3.34 851 548 A 69 GLN HE2x A 69 GLN HGx 1.0 1.8 3.34 852 549 A 71 GLU H A 70 PHE HBx 1.0 1.8 3.32 853 549 A 71 GLU H A 70 PHE HBy 1.0 1.8 3.32 854 550 A 73 SER H A 72 PRO HBx 1.0 1.8 3.69 855 550 A 73 SER H A 72 PRO HBy 1.0 1.8 3.69 856 551 A 74 GLU H A 74 GLU HBy 1.0 1.8 3.48 857 551 A 74 GLU H A 74 GLU HBx 1.0 1.8 3.48 858 552 A 74 GLU HBy A 74 GLU HGx 1.0 1.8 2.40 859 552 A 74 GLU HBx A 74 GLU HGx 1.0 1.8 2.40 860 552 A 74 GLU HGy A 74 GLU HBy 1.0 1.8 2.40 861 552 A 74 GLU HGy A 74 GLU HBx 1.0 1.8 2.40 862 553 A 75 THR HG2% A 78 LYS HBx 1.0 1.8 3.63 863 553 A 75 THR HG2% A 78 LYS HBy 1.0 1.8 3.63 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 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 14 GLY H A 10 GLN O 1.0 1.8 2.22 2 2 A 10 GLN O A 14 GLY N 1.0 1.8 3.13 3 3 A 15 ALA H A 11 VAL O 1.0 1.8 2.22 4 4 A 11 VAL O A 15 ALA N 1.0 1.8 3.13 5 5 A 16 ARG H A 12 CYS O 1.0 1.8 2.22 6 6 A 12 CYS O A 16 ARG N 1.0 1.8 3.13 7 7 A 17 ASP H A 13 TRP O 1.0 1.8 2.22 8 8 A 13 TRP O A 17 ASP N 1.0 1.8 3.13 9 9 A 18 GLU H A 14 GLY O 1.0 1.8 2.22 10 10 A 14 GLY O A 18 GLU N 1.0 1.8 3.13 11 11 A 19 TYR H A 15 ALA O 1.0 1.8 2.22 12 12 A 15 ALA O A 19 TYR N 1.0 1.8 3.13 13 13 A 36 LEU H A 32 GLN O 1.0 1.8 2.22 14 14 A 32 GLN O A 36 LEU N 1.0 1.8 3.13 15 15 A 37 ARG H A 33 CYS O 1.0 1.8 2.22 16 16 A 33 CYS O A 37 ARG N 1.0 1.8 3.13 17 17 A 38 SER H A 34 LYS O 1.0 1.8 2.22 18 18 A 34 LYS O A 38 SER N 1.0 1.8 3.13 19 19 A 39 SER H A 35 LYS O 1.0 1.8 2.22 20 20 A 35 LYS O A 39 SER N 1.0 1.8 3.13 21 21 A 40 PHE H A 36 LEU O 1.0 1.8 2.22 22 22 A 36 LEU O A 40 PHE N 1.0 1.8 3.13 23 23 A 41 GLU H A 37 ARG O 1.0 1.8 2.22 24 24 A 37 ARG O A 41 GLU N 1.0 1.8 3.13 25 25 A 51 TYR H A 47 GLN O 1.0 1.8 2.22 26 26 A 47 GLN O A 51 TYR N 1.0 1.8 3.13 27 27 A 52 PHE H A 48 TRP O 1.0 1.8 2.22 28 28 A 48 TRP O A 52 PHE N 1.0 1.8 3.13 29 29 A 53 ASP H A 49 ILE O 1.0 1.8 2.22 30 30 A 49 ILE O A 53 ASP N 1.0 1.8 3.13 31 31 A 54 LYS H A 50 LYS O 1.0 1.8 2.22 32 32 A 50 LYS O A 54 LYS N 1.0 1.8 3.13 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 8 GLU C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -79.9 -42.5 PHI 2 2 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 GLN N 1.0 -62.1 -31.2 PSI 3 3 A 9 ARG C A 10 GLN N A 10 GLN CA A 10 GLN C 1.0 -75.5 -55.5 PHI 4 4 A 10 GLN N A 10 GLN CA A 10 GLN C A 11 VAL N 1.0 -55.4 -23.4 PSI 5 5 A 10 GLN C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -81.5 -53.0 PHI 6 6 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 CYS N 1.0 -54.8 -22.7 PSI 7 7 A 11 VAL C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -103.9 -39.8 PHI 8 8 A 12 CYS N A 12 CYS CA A 12 CYS C A 13 TRP N 1.0 -58.2 10.6 PSI 9 9 A 12 CYS C A 13 TRP N A 13 TRP CA A 13 TRP C 1.0 -70.8 -50.8 PHI 10 10 A 13 TRP N A 13 TRP CA A 13 TRP C A 14 GLY N 1.0 -60.5 -17.8 PSI 11 11 A 13 TRP C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 -72.1 -49.7 PHI 12 12 A 14 GLY N A 14 GLY CA A 14 GLY C A 15 ALA N 1.0 -55.2 -35.2 PSI 13 13 A 14 GLY C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -76.6 -56.3 PHI 14 14 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 ARG N 1.0 -47.9 -27.9 PSI 15 15 A 15 ALA C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -74.4 -54.4 PHI 16 16 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 ASP N 1.0 -53.4 -33.4 PSI 17 17 A 16 ARG C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -74.4 -50.0 PHI 18 18 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 GLU N 1.0 -50.5 -30.5 PSI 19 19 A 17 ASP C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -77.7 -54.5 PHI 20 20 A 18 GLU N A 18 GLU CA A 18 GLU C A 19 TYR N 1.0 -53.3 -21.9 PSI 21 21 A 18 GLU C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -75.3 -55.3 PHI 22 22 A 19 TYR N A 19 TYR CA A 19 TYR C A 20 TRP N 1.0 -58.4 -15.2 PSI 23 23 A 19 TYR C A 20 TRP N A 20 TRP CA A 20 TRP C 1.0 -80.0 -60.0 PHI 24 24 A 20 TRP N A 20 TRP CA A 20 TRP C A 21 LYS N 1.0 -63.1 3.7 PSI 25 25 A 21 LYS C A 22 CYS N A 22 CYS CA A 22 CYS C 1.0 -159.5 -53.8 PHI 26 26 A 22 CYS N A 22 CYS CA A 22 CYS C A 23 LEU N 1.0 145.8 186.8 PSI 27 27 A 23 LEU C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -73.5 -53.5 PHI 28 28 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 GLU N 1.0 -57.9 -17.8 PSI 29 29 A 24 ASP C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -77.9 -51.9 PHI 30 30 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 ASN N 1.0 -58.7 -1.1 PSI 31 31 A 25 GLU C A 26 ASN N A 26 ASN CA A 26 ASN C 1.0 -135.8 -74.2 PHI 32 32 A 26 ASN N A 26 ASN CA A 26 ASN C A 27 LEU N 1.0 -24.7 25.6 PSI 33 33 A 27 LEU C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -119.6 -54.8 PHI 34 34 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 ASP N 1.0 -42.4 29.2 PSI 35 35 A 28 GLU C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -182.7 -44.4 PHI 36 36 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 ALA N 1.0 30.8 153.7 PSI 37 37 A 29 ASP C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -67.8 -47.8 PHI 38 38 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 SER N 1.0 -51.8 -12.7 PSI 39 39 A 30 ALA C A 31 SER N A 31 SER CA A 31 SER C 1.0 -86.6 -46.0 PHI 40 40 A 31 SER N A 31 SER CA A 31 SER C A 32 GLN N 1.0 -52.9 -6.3 PSI 41 41 A 31 SER C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -95.5 -50.6 PHI 42 42 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 CYS N 1.0 -67.3 1.8 PSI 43 43 A 32 GLN C A 33 CYS N A 33 CYS CA A 33 CYS C 1.0 -86.3 -46.6 PHI 44 44 A 33 CYS N A 33 CYS CA A 33 CYS C A 34 LYS N 1.0 -58.0 -21.9 PSI 45 45 A 33 CYS C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -72.8 -51.3 PHI 46 46 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 LYS N 1.0 -56.8 -24.0 PSI 47 47 A 34 LYS C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -74.9 -49.6 PHI 48 48 A 35 LYS N A 35 LYS CA A 35 LYS C A 36 LEU N 1.0 -59.2 -31.5 PSI 49 49 A 35 LYS C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -79.0 -54.4 PHI 50 50 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 ARG N 1.0 -51.8 -24.2 PSI 51 51 A 36 LEU C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 -78.5 -52.6 PHI 52 52 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 SER N 1.0 -54.0 -27.6 PSI 53 53 A 37 ARG C A 38 SER N A 38 SER CA A 38 SER C 1.0 -77.5 -50.6 PHI 54 54 A 38 SER N A 38 SER CA A 38 SER C A 39 SER N 1.0 -51.5 -31.5 PSI 55 55 A 38 SER C A 39 SER N A 39 SER CA A 39 SER C 1.0 -84.6 -50.2 PHI 56 56 A 39 SER N A 39 SER CA A 39 SER C A 40 PHE N 1.0 -50.8 -24.8 PSI 57 57 A 39 SER C A 40 PHE N A 40 PHE CA A 40 PHE C 1.0 -73.0 -53.0 PHI 58 58 A 40 PHE N A 40 PHE CA A 40 PHE C A 41 GLU N 1.0 -59.1 -21.3 PSI 59 59 A 40 PHE C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -84.6 -47.1 PHI 60 60 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 SER N 1.0 -55.9 -5.2 PSI 61 61 A 41 GLU C A 42 SER N A 42 SER CA A 42 SER C 1.0 -113.1 -48.2 PHI 62 62 A 42 SER N A 42 SER CA A 42 SER C A 43 SER N 1.0 -65.7 14.4 PSI 63 63 A 42 SER C A 43 SER N A 43 SER CA A 43 SER C 1.0 -148.4 -55.4 PHI 64 64 A 43 SER N A 43 SER CA A 43 SER C A 44 CYS N 1.0 -81.9 29.2 PSI 65 65 A 45 PRO C A 46 GLN N A 46 GLN CA A 46 GLN C 1.0 -70.7 -31.4 PHI 66 66 A 46 GLN N A 46 GLN CA A 46 GLN C A 47 GLN N 1.0 -63.9 -23.0 PSI 67 67 A 46 GLN C A 47 GLN N A 47 GLN CA A 47 GLN C 1.0 -84.8 -46.3 PHI 68 68 A 47 GLN N A 47 GLN CA A 47 GLN C A 48 TRP N 1.0 -62.9 -14.8 PSI 69 69 A 47 GLN C A 48 TRP N A 48 TRP CA A 48 TRP C 1.0 -77.0 -54.4 PHI 70 70 A 48 TRP N A 48 TRP CA A 48 TRP C A 49 ILE N 1.0 -57.3 -21.7 PSI 71 71 A 48 TRP C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -75.3 -54.0 PHI 72 72 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 LYS N 1.0 -60.3 -30.1 PSI 73 73 A 49 ILE C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -77.2 -45.9 PHI 74 74 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 TYR N 1.0 -54.0 -25.2 PSI 75 75 A 50 LYS C A 51 TYR N A 51 TYR CA A 51 TYR C 1.0 -77.5 -52.2 PHI 76 76 A 51 TYR N A 51 TYR CA A 51 TYR C A 52 PHE N 1.0 -50.6 -30.6 PSI 77 77 A 51 TYR C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -73.3 -51.1 PHI 78 78 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 ASP N 1.0 -55.8 -29.7 PSI 79 79 A 52 PHE C A 53 ASP N A 53 ASP CA A 53 ASP C 1.0 -77.0 -48.4 PHI 80 80 A 53 ASP N A 53 ASP CA A 53 ASP C A 54 LYS N 1.0 -52.9 -27.0 PSI 81 81 A 53 ASP C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -82.6 -51.6 PHI 82 82 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 ARG N 1.0 -63.2 -16.7 PSI 83 83 A 54 LYS C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -88.5 -50.2 PHI 84 84 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 ARG N 1.0 -53.2 -4.3 PSI 85 85 A 55 ARG C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -104.5 -48.2 PHI 86 86 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 ASP N 1.0 -54.1 17.3 PSI 87 87 A 57 ASP C A 58 TYR N A 58 TYR CA A 58 TYR C 1.0 -114.6 -29.8 PHI 88 88 A 58 TYR N A 58 TYR CA A 58 TYR C A 59 LEU N 1.0 -62.2 -15.5 PSI 89 89 A 58 TYR C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -77.8 -53.9 PHI 90 90 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 LYS N 1.0 -51.8 -30.2 PSI 91 91 A 59 LEU C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -82.7 -54.0 PHI 92 92 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 PHE N 1.0 -49.4 -27.1 PSI 93 93 A 60 LYS C A 61 PHE N A 61 PHE CA A 61 PHE C 1.0 -103.9 -33.4 PHI 94 94 A 61 PHE N A 61 PHE CA A 61 PHE C A 62 LYS N 1.0 -62.4 -14.5 PSI 95 95 A 61 PHE C A 62 LYS N A 62 LYS CA A 62 LYS C 1.0 -73.6 -53.6 PHI 96 96 A 62 LYS N A 62 LYS CA A 62 LYS C A 63 GLU N 1.0 -59.5 -16.0 PSI 97 97 A 62 LYS C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -111.7 -75.9 PHI 98 98 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 LYS N 1.0 -11.6 19.8 PSI 99 99 A 63 GLU C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 40.5 79.5 PHI 100 100 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 PHE N 1.0 16.3 56.0 PSI 101 101 A 64 LYS C A 65 PHE N A 65 PHE CA A 65 PHE C 1.0 -143.6 -51.6 PHI 102 102 A 65 PHE N A 65 PHE CA A 65 PHE C A 66 GLU N 1.0 109.8 201.9 PSI 103 103 A 67 ALA C A 68 GLY N A 68 GLY CA A 68 GLY C 1.0 67.2 107.5 PHI 104 104 A 68 GLY N A 68 GLY CA A 68 GLY C A 69 GLN N 1.0 -31.6 33.3 PSI 105 105 A 69 GLN C A 70 PHE N A 70 PHE CA A 70 PHE C 1.0 -165.3 -59.0 PHI 106 106 A 70 PHE N A 70 PHE CA A 70 PHE C A 71 GLU N 1.0 136.7 173.9 PSI 107 107 A 70 PHE C A 71 GLU N A 71 GLU CA A 71 GLU C 1.0 -160.9 -24.0 PHI 108 108 A 71 GLU N A 71 GLU CA A 71 GLU C A 72 PRO N 1.0 63.7 187.3 PSI stop_ save_