data_nef_c19666_2mi5 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MI5 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 13 CYS SG 1 26 CYS SG 1 20 CYS SG 1 40 CYS SG 1 25 CYS SG 1 54 CYS SG 1 42 CYS SG 1 52 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 SER start . . 2 A 2 ALA middle . . 3 A 3 LYS middle . . 4 A 4 ASP middle . . 5 A 5 GLY middle . false 6 A 6 ASP middle . . 7 A 7 VAL middle . . 8 A 8 GLU middle . . 9 A 9 GLY middle . false 10 A 10 PRO middle . false 11 A 11 ALA middle . . 12 A 12 GLY middle . false 13 A 13 CYS middle -HG . 14 A 14 LYS middle . . 15 A 15 LYS middle . . 16 A 16 TYR middle . . 17 A 17 ASP middle . . 18 A 18 VAL middle . . 19 A 19 GLU middle . . 20 A 20 CYS middle -HG . 21 A 21 ASP middle . . 22 A 22 SER middle . . 23 A 23 GLY middle . false 24 A 24 GLU middle . . 25 A 25 CYS middle -HG . 26 A 26 CYS middle -HG . 27 A 27 GLN middle . . 28 A 28 LYS middle . . 29 A 29 GLN middle . . 30 A 30 TYR middle . . 31 A 31 LEU middle . . 32 A 32 TRP middle . . 33 A 33 TYR middle . . 34 A 34 LYS middle . . 35 A 35 TRP middle . . 36 A 36 ARG middle . . 37 A 37 PRO middle . false 38 A 38 LEU middle . . 39 A 39 ASP middle . . 40 A 40 CYS middle -HG . 41 A 41 ARG middle . . 42 A 42 CYS middle -HG . 43 A 43 LEU middle . . 44 A 44 LYS middle . . 45 A 45 SER middle . . 46 A 46 GLY middle . false 47 A 47 PHE middle . . 48 A 48 PHE middle . . 49 A 49 SER middle . . 50 A 50 SER middle . . 51 A 51 LYS middle . . 52 A 52 CYS middle -HG . 53 A 53 VAL middle . . 54 A 54 CYS middle -HG . 55 A 55 ARG middle . . 56 A 56 ASP middle . . 57 A 57 VAL end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 SER HA H 1 4.127 0.03 A 1 SER HBy H 1 3.967 0.03 A 1 SER HBx H 1 3.926 0.03 A 1 SER C C 13 170.428 0.30 A 1 SER CA C 13 57.404 0.30 A 1 SER CB C 13 63.183 0.30 A 2 ALA H H 1 8.421 0.03 A 2 ALA HA H 1 4.227 0.03 A 2 ALA HB% H 1 0.757 0.03 A 2 ALA C C 13 176.106 0.30 A 2 ALA CA C 13 52.504 0.30 A 2 ALA CB C 13 19.016 0.30 A 2 ALA N N 15 124.746 0.30 A 3 LYS H H 1 8.275 0.03 A 3 LYS HA H 1 4.336 0.03 A 3 LYS HB2 H 1 1.701 0.03 A 3 LYS HB3 H 1 1.701 0.03 A 3 LYS HD2 H 1 1.639 0.03 A 3 LYS HD3 H 1 1.639 0.03 A 3 LYS HE2 H 1 2.995 0.03 A 3 LYS HE3 H 1 2.995 0.03 A 3 LYS HGy H 1 1.394 0.03 A 3 LYS HGx H 1 1.327 0.03 A 3 LYS C C 13 175.343 0.30 A 3 LYS CA C 13 54.848 0.30 A 3 LYS CB C 13 34.392 0.30 A 3 LYS CD C 13 29.210 0.30 A 3 LYS CE C 13 42.113 0.30 A 3 LYS CG C 13 24.055 0.30 A 3 LYS N N 15 120.527 0.30 A 4 ASP H H 1 8.288 0.03 A 4 ASP HA H 1 4.377 0.03 A 4 ASP HB2 H 1 2.548 0.03 A 4 ASP HB3 H 1 2.548 0.03 A 4 ASP C C 13 177.084 0.30 A 4 ASP CA C 13 55.908 0.30 A 4 ASP CB C 13 41.206 0.30 A 4 ASP N N 15 120.351 0.30 A 5 GLY H H 1 8.823 0.03 A 5 GLY HAy H 1 4.249 0.03 A 5 GLY HAx H 1 3.644 0.03 A 5 GLY C C 13 174.205 0.30 A 5 GLY CA C 13 45.496 0.30 A 5 GLY N N 15 113.320 0.30 A 6 ASP H H 1 8.291 0.03 A 6 ASP HA H 1 4.641 0.03 A 6 ASP HBy H 1 2.810 0.03 A 6 ASP HBx H 1 2.657 0.03 A 6 ASP C C 13 175.139 0.30 A 6 ASP CA C 13 55.022 0.30 A 6 ASP CB C 13 41.095 0.30 A 6 ASP N N 15 121.054 0.30 A 7 VAL H H 1 8.242 0.03 A 7 VAL HA H 1 5.505 0.03 A 7 VAL HB H 1 2.113 0.03 A 7 VAL HG1% H 1 0.943 0.03 A 7 VAL HG2% H 1 0.886 0.03 A 7 VAL C C 13 175.917 0.30 A 7 VAL CA C 13 59.486 0.30 A 7 VAL CB C 13 37.503 0.30 A 7 VAL CG1 C 13 22.387 0.30 A 7 VAL CG2 C 13 17.855 0.30 A 7 VAL N N 15 110.156 0.30 A 8 GLU H H 1 8.428 0.03 A 8 GLU HA H 1 4.708 0.03 A 8 GLU HBy H 1 1.820 0.03 A 8 GLU HBx H 1 1.537 0.03 A 8 GLU HG2 H 1 1.932 0.03 A 8 GLU HG3 H 1 1.932 0.03 A 8 GLU C C 13 175.138 0.30 A 8 GLU CA C 13 55.018 0.30 A 8 GLU CB C 13 32.660 0.30 A 8 GLU CG C 13 35.205 0.30 A 8 GLU N N 15 119.824 0.30 A 9 GLY H H 1 8.498 0.03 A 9 GLY HA2 H 1 4.051 0.03 A 9 GLY HA3 H 1 4.051 0.03 A 9 GLY CA C 13 44.687 0.30 A 9 GLY N N 15 112.265 0.30 A 10 PRO HA H 1 4.453 0.03 A 10 PRO HBy H 1 2.289 0.03 A 10 PRO HBx H 1 1.894 0.03 A 10 PRO HD2 H 1 3.654 0.03 A 10 PRO HD3 H 1 3.654 0.03 A 10 PRO HGy H 1 2.020 0.03 A 10 PRO HGx H 1 1.931 0.03 A 10 PRO C C 13 175.902 0.30 A 10 PRO CA C 13 62.256 0.30 A 10 PRO CB C 13 32.312 0.30 A 10 PRO CD C 13 49.584 0.30 A 10 PRO CG C 13 27.345 0.30 A 11 ALA H H 1 8.424 0.03 A 11 ALA HA H 1 4.161 0.03 A 11 ALA HB% H 1 1.366 0.03 A 11 ALA C C 13 179.442 0.30 A 11 ALA CA C 13 53.666 0.30 A 11 ALA CB C 13 17.902 0.30 A 11 ALA N N 15 123.340 0.30 A 12 GLY H H 1 8.795 0.03 A 12 GLY HAy H 1 4.168 0.03 A 12 GLY HAx H 1 3.691 0.03 A 12 GLY C C 13 174.908 0.30 A 12 GLY CA C 13 45.155 0.30 A 12 GLY N N 15 111.386 0.30 A 13 CYS H H 1 8.051 0.03 A 13 CYS HA H 1 4.575 0.03 A 13 CYS HBy H 1 3.162 0.03 A 13 CYS HBx H 1 3.135 0.03 A 13 CYS C C 13 173.390 0.30 A 13 CYS CA C 13 55.412 0.30 A 13 CYS CB C 13 40.858 0.30 A 13 CYS N N 15 118.593 0.30 A 14 LYS H H 1 8.661 0.03 A 14 LYS HA H 1 4.413 0.03 A 14 LYS HBy H 1 1.715 0.03 A 14 LYS HBx H 1 1.595 0.03 A 14 LYS HDy H 1 1.819 0.03 A 14 LYS HDx H 1 1.571 0.03 A 14 LYS HEy H 1 2.974 0.03 A 14 LYS HEx H 1 2.924 0.03 A 14 LYS HGy H 1 1.629 0.03 A 14 LYS HGx H 1 1.332 0.03 A 14 LYS C C 13 174.523 0.30 A 14 LYS CA C 13 56.695 0.30 A 14 LYS CB C 13 34.840 0.30 A 14 LYS CD C 13 28.750 0.30 A 14 LYS CE C 13 42.812 0.30 A 14 LYS CG C 13 26.406 0.30 A 14 LYS N N 15 120.527 0.30 A 15 LYS H H 1 7.335 0.03 A 15 LYS HA H 1 4.045 0.03 A 15 LYS HBy H 1 2.136 0.03 A 15 LYS HBx H 1 1.555 0.03 A 15 LYS HDy H 1 1.686 0.03 A 15 LYS HDx H 1 1.596 0.03 A 15 LYS HE2 H 1 2.952 0.03 A 15 LYS HE3 H 1 2.952 0.03 A 15 LYS HGy H 1 1.615 0.03 A 15 LYS HGx H 1 1.143 0.03 A 15 LYS C C 13 174.446 0.30 A 15 LYS CA C 13 55.806 0.30 A 15 LYS CB C 13 34.975 0.30 A 15 LYS CD C 13 29.724 0.30 A 15 LYS CE C 13 42.349 0.30 A 15 LYS CG C 13 26.930 0.30 A 15 LYS N N 15 120.000 0.30 A 16 TYR H H 1 9.183 0.03 A 16 TYR HA H 1 3.609 0.03 A 16 TYR HBy H 1 2.748 0.03 A 16 TYR HBx H 1 2.602 0.03 A 16 TYR HD1 H 1 6.809 0.03 A 16 TYR HD2 H 1 6.809 0.03 A 16 TYR HE1 H 1 7.121 0.03 A 16 TYR HE2 H 1 7.121 0.03 A 16 TYR C C 13 176.146 0.30 A 16 TYR CA C 13 59.985 0.30 A 16 TYR CB C 13 39.182 0.30 A 16 TYR CD1 C 13 133.203 0.30 A 16 TYR CD2 C 13 133.203 0.30 A 16 TYR CE1 C 13 118.160 0.30 A 16 TYR CE2 C 13 118.160 0.30 A 16 TYR N N 15 118.242 0.30 A 17 ASP H H 1 9.185 0.03 A 17 ASP HA H 1 4.089 0.03 A 17 ASP HBy H 1 2.911 0.03 A 17 ASP HBx H 1 2.510 0.03 A 17 ASP C C 13 174.793 0.30 A 17 ASP CA C 13 55.382 0.30 A 17 ASP CB C 13 39.934 0.30 A 17 ASP N N 15 123.164 0.30 A 18 VAL H H 1 7.873 0.03 A 18 VAL HA H 1 3.969 0.03 A 18 VAL HB H 1 2.278 0.03 A 18 VAL HGx% H 1 0.825 0.03 A 18 VAL HGy% H 1 1.157 0.03 A 18 VAL C C 13 175.615 0.30 A 18 VAL CA C 13 62.527 0.30 A 18 VAL CB C 13 31.705 0.30 A 18 VAL CG1 C 13 22.655 0.30 A 18 VAL CG2 C 13 21.259 0.30 A 18 VAL N N 15 121.230 0.30 A 19 GLU H H 1 8.437 0.03 A 19 GLU HA H 1 4.851 0.03 A 19 GLU HBy H 1 2.030 0.03 A 19 GLU HBx H 1 1.989 0.03 A 19 GLU HGy H 1 2.480 0.03 A 19 GLU HGx H 1 2.298 0.03 A 19 GLU C C 13 175.883 0.30 A 19 GLU CA C 13 57.427 0.30 A 19 GLU CB C 13 29.543 0.30 A 19 GLU CG C 13 36.243 0.30 A 19 GLU N N 15 126.328 0.30 A 20 CYS H H 1 8.357 0.03 A 20 CYS HA H 1 4.920 0.03 A 20 CYS HBy H 1 3.303 0.03 A 20 CYS HBx H 1 2.938 0.03 A 20 CYS C C 13 172.746 0.30 A 20 CYS CA C 13 53.849 0.30 A 20 CYS CB C 13 45.604 0.30 A 20 CYS N N 15 117.715 0.30 A 21 ASP H H 1 8.077 0.03 A 21 ASP HA H 1 4.780 0.03 A 21 ASP HBy H 1 2.926 0.03 A 21 ASP HBx H 1 2.685 0.03 A 21 ASP C C 13 175.903 0.30 A 21 ASP CA C 13 53.839 0.30 A 21 ASP N N 15 119.297 0.30 A 22 SER H H 1 8.477 0.03 A 22 SER HA H 1 4.066 0.03 A 22 SER HBy H 1 3.823 0.03 A 22 SER HBx H 1 3.808 0.03 A 22 SER C C 13 175.610 0.30 A 22 SER CA C 13 59.986 0.30 A 22 SER CB C 13 63.377 0.30 A 22 SER N N 15 113.751 0.30 A 23 GLY H H 1 8.666 0.03 A 23 GLY HAy H 1 4.188 0.03 A 23 GLY HAx H 1 3.897 0.03 A 23 GLY C C 13 175.341 0.30 A 23 GLY CA C 13 45.625 0.30 A 23 GLY N N 15 112.441 0.30 A 24 GLU H H 1 7.852 0.03 A 24 GLU HA H 1 4.320 0.03 A 24 GLU HB2 H 1 2.180 0.03 A 24 GLU HB3 H 1 2.180 0.03 A 24 GLU HGy H 1 2.262 0.03 A 24 GLU HGx H 1 2.203 0.03 A 24 GLU CA C 13 56.875 0.30 A 24 GLU CB C 13 32.969 0.30 A 24 GLU CG C 13 36.719 0.30 A 24 GLU N N 15 115.429 0.30 A 25 CYS HA H 1 4.880 0.03 A 25 CYS HBy H 1 2.923 0.03 A 25 CYS HBx H 1 2.865 0.03 A 25 CYS C C 13 175.605 0.30 A 25 CYS CA C 13 56.417 0.30 A 25 CYS CB C 13 40.007 0.30 A 26 CYS H H 1 9.987 0.03 A 26 CYS HA H 1 4.569 0.03 A 26 CYS HBy H 1 3.473 0.03 A 26 CYS HBx H 1 2.275 0.03 A 26 CYS C C 13 172.335 0.30 A 26 CYS CA C 13 55.441 0.30 A 26 CYS CB C 13 38.977 0.30 A 26 CYS N N 15 122.988 0.30 A 27 GLN H H 1 8.129 0.03 A 27 GLN HA H 1 4.156 0.03 A 27 GLN HBy H 1 2.106 0.03 A 27 GLN HBx H 1 2.056 0.03 A 27 GLN HE2y H 1 7.753 0.03 A 27 GLN HE2x H 1 6.836 0.03 A 27 GLN HG2 H 1 2.546 0.03 A 27 GLN HG3 H 1 2.546 0.03 A 27 GLN C C 13 178.958 0.30 A 27 GLN CA C 13 59.397 0.30 A 27 GLN CB C 13 29.134 0.30 A 27 GLN CG C 13 34.519 0.30 A 27 GLN N N 15 119.472 0.30 A 27 GLN NE2 N 15 112.265 0.30 A 28 LYS H H 1 7.945 0.03 A 28 LYS HA H 1 5.398 0.03 A 28 LYS HBy H 1 1.916 0.03 A 28 LYS HBx H 1 1.596 0.03 A 28 LYS HDx H 1 1.340 0.03 A 28 LYS HDy H 1 1.421 0.03 A 28 LYS HEy H 1 2.779 0.03 A 28 LYS HEx H 1 2.630 0.03 A 28 LYS HG2 H 1 1.327 0.03 A 28 LYS HG3 H 1 1.327 0.03 A 28 LYS C C 13 174.506 0.30 A 28 LYS CA C 13 54.717 0.30 A 28 LYS CB C 13 40.222 0.30 A 28 LYS CD C 13 30.169 0.30 A 28 LYS CE C 13 41.872 0.30 A 28 LYS CG C 13 25.475 0.30 A 28 LYS N N 15 111.211 0.30 A 29 GLN H H 1 9.096 0.03 A 29 GLN HA H 1 5.273 0.03 A 29 GLN HBy H 1 2.198 0.03 A 29 GLN HBx H 1 1.429 0.03 A 29 GLN HE2y H 1 7.334 0.03 A 29 GLN HE2x H 1 6.970 0.03 A 29 GLN HGy H 1 2.437 0.03 A 29 GLN HGx H 1 1.820 0.03 A 29 GLN C C 13 173.392 0.30 A 29 GLN CA C 13 54.499 0.30 A 29 GLN CB C 13 32.993 0.30 A 29 GLN CG C 13 32.969 0.30 A 29 GLN N N 15 120.527 0.30 A 29 GLN NE2 N 15 107.578 0.30 A 30 TYR H H 1 8.378 0.03 A 30 TYR HA H 1 3.824 0.03 A 30 TYR HBy H 1 2.350 0.03 A 30 TYR HBx H 1 0.279 0.03 A 30 TYR HD1 H 1 5.519 0.03 A 30 TYR HD2 H 1 5.519 0.03 A 30 TYR HE1 H 1 6.301 0.03 A 30 TYR HE2 H 1 6.301 0.03 A 30 TYR C C 13 173.213 0.30 A 30 TYR CA C 13 58.018 0.30 A 30 TYR CB C 13 35.574 0.30 A 30 TYR CD1 C 13 132.383 0.30 A 30 TYR CD2 C 13 132.383 0.30 A 30 TYR CE1 C 13 116.797 0.30 A 30 TYR CE2 C 13 116.797 0.30 A 30 TYR N N 15 130.371 0.30 A 31 LEU H H 1 8.015 0.03 A 31 LEU HA H 1 3.855 0.03 A 31 LEU HBy H 1 0.545 0.03 A 31 LEU HBx H 1 0.142 0.03 A 31 LEU HD1% H 1 -0.049 0.03 A 31 LEU HD2% H 1 -0.285 0.03 A 31 LEU HG H 1 0.234 0.03 A 31 LEU C C 13 174.716 0.30 A 31 LEU CA C 13 52.890 0.30 A 31 LEU CB C 13 46.322 0.30 A 31 LEU CD1 C 13 24.531 0.30 A 31 LEU CD2 C 13 23.594 0.30 A 31 LEU CG C 13 25.938 0.30 A 31 LEU N N 15 132.129 0.30 A 32 TRP H H 1 8.835 0.03 A 32 TRP HA H 1 3.674 0.03 A 32 TRP HBy H 1 3.239 0.03 A 32 TRP HBx H 1 2.922 0.03 A 32 TRP HD1 H 1 6.982 0.03 A 32 TRP HE1 H 1 9.916 0.03 A 32 TRP HE3 H 1 7.007 0.03 A 32 TRP HH2 H 1 6.870 0.03 A 32 TRP HZ2 H 1 7.124 0.03 A 32 TRP HZ3 H 1 6.764 0.03 A 32 TRP C C 13 176.444 0.30 A 32 TRP CA C 13 57.808 0.30 A 32 TRP CB C 13 24.551 0.30 A 32 TRP CD1 C 13 125.963 0.30 A 32 TRP CE3 C 13 120.004 0.30 A 32 TRP CH2 C 13 118.252 0.30 A 32 TRP CZ2 C 13 114.077 0.30 A 32 TRP CZ3 C 13 121.607 0.30 A 32 TRP N N 15 126.855 0.30 A 32 TRP NE1 N 15 129.375 0.30 A 33 TYR H H 1 8.021 0.03 A 33 TYR HA H 1 3.441 0.03 A 33 TYR HBy H 1 3.259 0.03 A 33 TYR HBx H 1 3.115 0.03 A 33 TYR HD1 H 1 7.029 0.03 A 33 TYR HD2 H 1 7.029 0.03 A 33 TYR HE1 H 1 6.812 0.03 A 33 TYR HE2 H 1 6.812 0.03 A 33 TYR C C 13 173.802 0.30 A 33 TYR CA C 13 59.804 0.30 A 33 TYR CB C 13 35.213 0.30 A 33 TYR CD1 C 13 133.223 0.30 A 33 TYR CD2 C 13 133.223 0.30 A 33 TYR CE1 C 13 117.891 0.30 A 33 TYR CE2 C 13 117.891 0.30 A 33 TYR N N 15 109.453 0.30 A 34 LYS H H 1 6.799 0.03 A 34 LYS HA H 1 4.415 0.03 A 34 LYS HBy H 1 1.705 0.03 A 34 LYS HBx H 1 1.563 0.03 A 34 LYS HD2 H 1 1.689 0.03 A 34 LYS HD3 H 1 1.689 0.03 A 34 LYS HE2 H 1 3.072 0.03 A 34 LYS HE3 H 1 3.072 0.03 A 34 LYS HG2 H 1 1.428 0.03 A 34 LYS HG3 H 1 1.428 0.03 A 34 LYS C C 13 174.545 0.30 A 34 LYS CA C 13 55.268 0.30 A 34 LYS CB C 13 37.142 0.30 A 34 LYS CD C 13 29.681 0.30 A 34 LYS CE C 13 42.274 0.30 A 34 LYS CG C 13 25.000 0.30 A 34 LYS N N 15 116.660 0.30 A 35 TRP H H 1 8.786 0.03 A 35 TRP HA H 1 4.565 0.03 A 35 TRP HBy H 1 3.210 0.03 A 35 TRP HBx H 1 2.882 0.03 A 35 TRP HD1 H 1 7.472 0.03 A 35 TRP HE1 H 1 10.121 0.03 A 35 TRP HE3 H 1 7.047 0.03 A 35 TRP HH2 H 1 6.915 0.03 A 35 TRP HZ2 H 1 7.425 0.03 A 35 TRP HZ3 H 1 6.660 0.03 A 35 TRP C C 13 176.720 0.30 A 35 TRP CA C 13 58.264 0.30 A 35 TRP CB C 13 29.346 0.30 A 35 TRP CD1 C 13 127.315 0.30 A 35 TRP CE3 C 13 118.711 0.30 A 35 TRP CH2 C 13 124.561 0.30 A 35 TRP CZ2 C 13 115.430 0.30 A 35 TRP CZ3 C 13 121.967 0.30 A 35 TRP N N 15 122.637 0.30 A 35 TRP NE1 N 15 130.078 0.30 A 36 ARG H H 1 9.128 0.03 A 36 ARG HA H 1 5.133 0.03 A 36 ARG HBy H 1 1.963 0.03 A 36 ARG HBx H 1 1.637 0.03 A 36 ARG HDy H 1 3.562 0.03 A 36 ARG HDx H 1 2.793 0.03 A 36 ARG HE H 1 7.398 0.03 A 36 ARG HGy H 1 1.750 0.03 A 36 ARG HGx H 1 1.617 0.03 A 36 ARG CA C 13 53.125 0.30 A 36 ARG CB C 13 31.094 0.30 A 36 ARG CD C 13 43.281 0.30 A 36 ARG CG C 13 28.750 0.30 A 36 ARG N N 15 125.976 0.30 A 36 ARG NE N 15 88.186 0.30 A 37 PRO HA H 1 5.364 0.03 A 37 PRO HBy H 1 2.380 0.03 A 37 PRO HBx H 1 1.979 0.03 A 37 PRO HDy H 1 4.022 0.03 A 37 PRO HDx H 1 3.922 0.03 A 37 PRO HGy H 1 2.335 0.03 A 37 PRO HGx H 1 1.986 0.03 A 37 PRO C C 13 175.961 0.30 A 37 PRO CA C 13 62.020 0.30 A 37 PRO CB C 13 32.149 0.30 A 37 PRO CD C 13 51.250 0.30 A 37 PRO CG C 13 27.813 0.30 A 38 LEU H H 1 7.047 0.03 A 38 LEU HA H 1 5.613 0.03 A 38 LEU HBy H 1 2.423 0.03 A 38 LEU HBx H 1 1.010 0.03 A 38 LEU HD1% H 1 0.941 0.03 A 38 LEU HD2% H 1 0.714 0.03 A 38 LEU HG H 1 1.514 0.03 A 38 LEU C C 13 177.828 0.30 A 38 LEU CA C 13 52.488 0.30 A 38 LEU CB C 13 45.969 0.30 A 38 LEU CD1 C 13 26.406 0.30 A 38 LEU CD2 C 13 23.125 0.30 A 38 LEU CG C 13 27.344 0.30 A 38 LEU N N 15 116.660 0.30 A 39 ASP H H 1 9.136 0.03 A 39 ASP HA H 1 4.665 0.03 A 39 ASP HBy H 1 2.740 0.03 A 39 ASP HBx H 1 2.388 0.03 A 39 ASP C C 13 173.855 0.30 A 39 ASP CA C 13 53.115 0.30 A 39 ASP CB C 13 44.870 0.30 A 39 ASP N N 15 117.187 0.30 A 40 CYS H H 1 8.704 0.03 A 40 CYS HA H 1 4.645 0.03 A 40 CYS HBy H 1 3.010 0.03 A 40 CYS HBx H 1 2.877 0.03 A 40 CYS C C 13 173.638 0.30 A 40 CYS CA C 13 56.149 0.30 A 40 CYS CB C 13 38.887 0.30 A 40 CYS N N 15 122.812 0.30 A 41 ARG H H 1 8.742 0.03 A 41 ARG HA H 1 4.686 0.03 A 41 ARG HBy H 1 1.826 0.03 A 41 ARG HBx H 1 1.731 0.03 A 41 ARG HDy H 1 3.211 0.03 A 41 ARG HDx H 1 3.139 0.03 A 41 ARG HE H 1 7.519 0.03 A 41 ARG HGy H 1 1.639 0.03 A 41 ARG HGx H 1 1.444 0.03 A 41 ARG C C 13 175.082 0.30 A 41 ARG CA C 13 54.050 0.30 A 41 ARG CB C 13 32.462 0.30 A 41 ARG CD C 13 42.809 0.30 A 41 ARG CG C 13 26.410 0.30 A 41 ARG N N 15 131.953 0.30 A 41 ARG NE N 15 84.436 0.30 A 42 CYS H H 1 8.945 0.03 A 42 CYS HA H 1 5.216 0.03 A 42 CYS HBy H 1 2.918 0.03 A 42 CYS HBx H 1 2.833 0.03 A 42 CYS C C 13 174.439 0.30 A 42 CYS CA C 13 55.531 0.30 A 42 CYS CB C 13 44.384 0.30 A 42 CYS N N 15 123.340 0.30 A 43 LEU H H 1 8.722 0.03 A 43 LEU HA H 1 4.544 0.03 A 43 LEU HBy H 1 1.755 0.03 A 43 LEU HBx H 1 1.591 0.03 A 43 LEU HDx% H 1 0.850 0.03 A 43 LEU HDy% H 1 0.843 0.03 A 43 LEU HG H 1 1.676 0.03 A 43 LEU C C 13 176.723 0.30 A 43 LEU CA C 13 54.458 0.30 A 43 LEU CB C 13 43.516 0.30 A 43 LEU CD1 C 13 25.072 0.30 A 43 LEU CD2 C 13 23.623 0.30 A 43 LEU CG C 13 26.912 0.30 A 43 LEU N N 15 125.976 0.30 A 44 LYS H H 1 8.577 0.03 A 44 LYS HA H 1 4.521 0.03 A 44 LYS HBy H 1 1.875 0.03 A 44 LYS HBx H 1 1.714 0.03 A 44 LYS HDy H 1 1.640 0.03 A 44 LYS HDx H 1 1.570 0.03 A 44 LYS HE2 H 1 2.948 0.03 A 44 LYS HE3 H 1 2.948 0.03 A 44 LYS HGy H 1 1.455 0.03 A 44 LYS HGx H 1 1.369 0.03 A 44 LYS C C 13 176.254 0.30 A 44 LYS CA C 13 56.395 0.30 A 44 LYS CB C 13 33.171 0.30 A 44 LYS CD C 13 29.176 0.30 A 44 LYS CE C 13 41.875 0.30 A 44 LYS CG C 13 24.961 0.30 A 44 LYS N N 15 122.285 0.30 A 45 SER H H 1 8.254 0.03 A 45 SER HA H 1 4.562 0.03 A 45 SER HBy H 1 3.811 0.03 A 45 SER HBx H 1 3.701 0.03 A 45 SER C C 13 174.264 0.30 A 45 SER CA C 13 57.318 0.30 A 45 SER CB C 13 64.221 0.30 A 45 SER N N 15 117.715 0.30 A 46 GLY H H 1 8.405 0.03 A 46 GLY HAy H 1 3.960 0.03 A 46 GLY HAx H 1 3.746 0.03 A 46 GLY C C 13 174.068 0.30 A 46 GLY CA C 13 45.310 0.30 A 46 GLY N N 15 111.386 0.30 A 47 PHE H H 1 8.362 0.03 A 47 PHE HA H 1 4.364 0.03 A 47 PHE HBy H 1 2.836 0.03 A 47 PHE HBx H 1 2.714 0.03 A 47 PHE HD1 H 1 7.008 0.03 A 47 PHE HD2 H 1 7.008 0.03 A 47 PHE HE1 H 1 7.390 0.03 A 47 PHE HE2 H 1 7.390 0.03 A 47 PHE HZ H 1 7.366 0.03 A 47 PHE C C 13 176.313 0.30 A 47 PHE CA C 13 58.892 0.30 A 47 PHE CB C 13 39.249 0.30 A 47 PHE CD1 C 13 133.323 0.30 A 47 PHE CD2 C 13 133.323 0.30 A 47 PHE CE1 C 13 131.621 0.30 A 47 PHE CE2 C 13 131.621 0.30 A 47 PHE CZ C 13 129.505 0.30 A 47 PHE N N 15 120.703 0.30 A 48 PHE H H 1 8.316 0.03 A 48 PHE HA H 1 4.670 0.03 A 48 PHE HBy H 1 3.336 0.03 A 48 PHE HBx H 1 3.007 0.03 A 48 PHE HD1 H 1 7.280 0.03 A 48 PHE HD2 H 1 7.280 0.03 A 48 PHE HE1 H 1 7.006 0.03 A 48 PHE HE2 H 1 7.006 0.03 A 48 PHE C C 13 175.325 0.30 A 48 PHE CA C 13 57.687 0.30 A 48 PHE CB C 13 39.669 0.30 A 48 PHE CD1 C 13 131.562 0.30 A 48 PHE CD2 C 13 131.562 0.30 A 48 PHE CE1 C 13 131.289 0.30 A 48 PHE CE2 C 13 131.289 0.30 A 48 PHE N N 15 117.363 0.30 A 49 SER H H 1 7.831 0.03 A 49 SER HA H 1 4.498 0.03 A 49 SER HBx H 1 3.822 0.03 A 49 SER HBy H 1 3.825 0.03 A 49 SER C C 13 174.190 0.30 A 49 SER CA C 13 58.441 0.30 A 49 SER CB C 13 64.234 0.30 A 49 SER N N 15 114.726 0.30 A 50 SER H H 1 8.396 0.03 A 50 SER HA H 1 4.682 0.03 A 50 SER HBy H 1 3.799 0.03 A 50 SER HBx H 1 3.770 0.03 A 50 SER C C 13 173.200 0.30 A 50 SER CA C 13 58.394 0.30 A 50 SER CB C 13 64.843 0.30 A 50 SER N N 15 117.363 0.30 A 51 LYS H H 1 8.453 0.03 A 51 LYS HA H 1 4.528 0.03 A 51 LYS HBy H 1 1.781 0.03 A 51 LYS HBx H 1 1.741 0.03 A 51 LYS HD2 H 1 1.565 0.03 A 51 LYS HD3 H 1 1.565 0.03 A 51 LYS HE2 H 1 2.838 0.03 A 51 LYS HE3 H 1 2.838 0.03 A 51 LYS HGy H 1 1.350 0.03 A 51 LYS HGx H 1 1.296 0.03 A 51 LYS C C 13 175.239 0.30 A 51 LYS CA C 13 55.759 0.30 A 51 LYS CB C 13 34.450 0.30 A 51 LYS CD C 13 29.219 0.30 A 51 LYS CE C 13 42.036 0.30 A 51 LYS CG C 13 24.538 0.30 A 51 LYS N N 15 122.812 0.30 A 52 CYS H H 1 8.828 0.03 A 52 CYS HA H 1 5.525 0.03 A 52 CYS HBy H 1 3.493 0.03 A 52 CYS HBx H 1 2.677 0.03 A 52 CYS C C 13 174.345 0.30 A 52 CYS CA C 13 55.786 0.30 A 52 CYS CB C 13 47.500 0.30 A 52 CYS N N 15 124.922 0.30 A 53 VAL H H 1 8.625 0.03 A 53 VAL HA H 1 5.011 0.03 A 53 VAL HB H 1 1.558 0.03 A 53 VAL HG1% H 1 0.617 0.03 A 53 VAL HG2% H 1 0.668 0.03 A 53 VAL C C 13 176.396 0.30 A 53 VAL CA C 13 59.190 0.30 A 53 VAL CB C 13 37.293 0.30 A 53 VAL CG1 C 13 21.935 0.30 A 53 VAL CG2 C 13 18.750 0.30 A 53 VAL N N 15 117.187 0.30 A 54 CYS H H 1 8.072 0.03 A 54 CYS HA H 1 5.012 0.03 A 54 CYS HBy H 1 3.416 0.03 A 54 CYS HBx H 1 2.515 0.03 A 54 CYS C C 13 175.637 0.30 A 54 CYS CA C 13 55.432 0.30 A 54 CYS CB C 13 40.268 0.30 A 54 CYS N N 15 120.703 0.30 A 55 ARG H H 1 9.378 0.03 A 55 ARG HA H 1 4.853 0.03 A 55 ARG HBy H 1 2.087 0.03 A 55 ARG HBx H 1 1.681 0.03 A 55 ARG HDy H 1 3.202 0.03 A 55 ARG HDx H 1 3.097 0.03 A 55 ARG HE H 1 7.228 0.03 A 55 ARG HGy H 1 1.707 0.03 A 55 ARG HGx H 1 1.640 0.03 A 55 ARG C C 13 174.029 0.30 A 55 ARG CA C 13 53.194 0.30 A 55 ARG CB C 13 35.049 0.30 A 55 ARG CD C 13 42.802 0.30 A 55 ARG CG C 13 26.416 0.30 A 55 ARG N N 15 124.922 0.30 A 55 ARG NE N 15 83.967 0.30 A 56 ASP H H 1 9.693 0.03 A 56 ASP HA H 1 5.244 0.03 A 56 ASP HBy H 1 2.747 0.03 A 56 ASP HBx H 1 2.303 0.03 A 56 ASP C C 13 175.192 0.30 A 56 ASP CA C 13 53.525 0.30 A 56 ASP CB C 13 39.655 0.30 A 56 ASP N N 15 117.011 0.30 A 57 VAL H H 1 7.849 0.03 A 57 VAL HA H 1 4.183 0.03 A 57 VAL HB H 1 2.149 0.03 A 57 VAL HGx% H 1 0.735 0.03 A 57 VAL HGy% H 1 0.872 0.03 A 57 VAL CA C 13 62.968 0.30 A 57 VAL CB C 13 33.906 0.30 A 57 VAL CG1 C 13 19.844 0.30 A 57 VAL CG2 C 13 22.188 0.30 A 57 VAL N N 15 123.164 0.30 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 ALA H A 1 SER HBy 1.0 . 4.86 2 2 A 2 ALA H A 1 SER HBx 1.0 . 4.86 3 3 A 6 ASP H A 6 ASP HBx 1.0 . 3.75 4 4 A 6 ASP H A 6 ASP HBy 1.0 . 3.17 5 5 A 6 ASP HA A 7 VAL H 1.0 . 3.02 6 6 A 7 VAL H A 7 VAL HG1% 1.0 . 3.71 7 7 A 7 VAL H A 7 VAL HG2% 1.0 . 2.78 8 8 A 11 ALA H A 11 ALA HB% 1.0 . 2.63 9 9 A 11 ALA HA A 12 GLY H 1.0 . 2.68 10 10 A 13 CYS H A 13 CYS HBx 1.0 . 3.11 11 11 A 13 CYS H A 13 CYS HBy 1.0 . 3.66 12 12 A 16 TYR H A 16 TYR HBx 1.0 . 3.24 13 13 A 16 TYR H A 16 TYR HBy 1.0 . 3.17 14 14 A 17 ASP H A 17 ASP HA 1.0 . 2.94 15 15 A 17 ASP H A 54 CYS HBx 1.0 . 4.75 16 16 A 18 VAL H A 18 VAL HB 1.0 . 3.46 17 17 A 18 VAL H A 18 VAL HGx% 1.0 . 3.98 18 18 A 18 VAL H A 18 VAL HGy% 1.0 . 3.98 19 19 A 19 GLU H A 19 GLU HBx 1.0 . 3.19 20 20 A 19 GLU H A 19 GLU HBy 1.0 . 3.11 21 21 A 20 CYS H A 20 CYS HBy 1.0 . 4.04 22 22 A 26 CYS H A 26 CYS HBx 1.0 . 3.61 23 23 A 26 CYS H A 26 CYS HBy 1.0 . 3.39 24 24 A 28 LYS H A 28 LYS HBy 1.0 . 3.45 25 25 A 28 LYS H A 28 LYS HBx 1.0 . 3.98 26 26 A 28 LYS H A 28 LYS HEy 1.0 . 5.50 27 27 A 28 LYS H A 28 LYS HEx 1.0 . 5.50 28 28 A 29 GLN H A 29 GLN HBx 1.0 . 3.79 29 29 A 29 GLN H A 35 TRP HE3 1.0 . 4.46 30 30 A 30 TYR H A 30 TYR HBx 1.0 . 3.17 31 31 A 30 TYR H A 30 TYR HBy 1.0 . 3.26 32 32 A 31 LEU H A 31 LEU HBy 1.0 . 3.42 33 33 A 31 LEU H A 31 LEU HBx 1.0 . 3.93 34 34 A 33 TYR H A 33 TYR HA 1.0 . 2.75 35 35 A 34 LYS H A 34 LYS HBx 1.0 . 3.86 36 36 A 35 TRP H A 35 TRP HBy 1.0 . 3.05 37 37 A 38 LEU H A 38 LEU HBy 1.0 . 3.13 38 38 A 39 ASP H A 39 ASP HBy 1.0 . 4.13 39 39 A 40 CYS H A 40 CYS HBx 1.0 . 3.61 40 40 A 41 ARG H A 41 ARG HBx 1.0 . 3.81 41 41 A 41 ARG H A 41 ARG HGy 1.0 . 4.63 42 42 A 41 ARG H A 41 ARG HGx 1.0 . 4.63 43 43 A 41 ARG H A 41 ARG HDy 1.0 . 5.50 44 44 A 42 CYS H A 42 CYS HBy 1.0 . 3.22 45 45 A 42 CYS H A 42 CYS HBx 1.0 . 3.79 46 46 A 43 LEU H A 43 LEU HBy 1.0 . 3.97 47 47 A 43 LEU H A 43 LEU HBx 1.0 . 3.97 48 48 A 43 LEU H A 43 LEU HG 1.0 . 4.13 49 49 A 43 LEU H A 43 LEU HDx% 1.0 . 4.49 50 50 A 43 LEU H A 43 LEU HDy% 1.0 . 4.49 51 51 A 44 LYS H A 44 LYS HBy 1.0 . 4.00 52 52 A 44 LYS H A 44 LYS HBx 1.0 . 4.00 53 53 A 44 LYS H A 44 LYS HGy 1.0 . 4.55 54 54 A 44 LYS H A 44 LYS HGx 1.0 . 4.55 55 55 A 45 SER H A 45 SER HBy 1.0 . 3.93 56 56 A 45 SER H A 45 SER HBx 1.0 . 3.93 57 57 A 47 PHE H A 47 PHE HBy 1.0 . 3.65 58 58 A 47 PHE H A 47 PHE HBx 1.0 . 3.65 59 59 A 48 PHE H A 48 PHE HBy 1.0 . 3.81 60 60 A 48 PHE H A 48 PHE HBx 1.0 . 3.81 61 61 A 49 SER H A 49 SER HBx 1.0 . 3.85 62 62 A 42 CYS HBx A 51 LYS H 1.0 . 5.50 63 63 A 53 VAL H A 53 VAL HB 1.0 . 4.12 64 64 A 53 VAL H A 53 VAL HG1% 1.0 . 3.82 65 65 A 54 CYS H A 54 CYS HBy 1.0 . 3.48 66 66 A 54 CYS HBx A 54 CYS H 1.0 . 3.88 67 67 A 55 ARG H A 55 ARG HBx 1.0 . 3.87 68 68 A 55 ARG H A 55 ARG HDy 1.0 . 5.06 69 69 A 55 ARG H A 55 ARG HDx 1.0 . 5.06 70 70 A 56 ASP H A 56 ASP HBy 1.0 . 3.72 71 71 A 56 ASP H A 56 ASP HBx 1.0 . 3.72 72 72 A 30 TYR HBx A 5 GLY H 1.0 . 4.20 73 73 A 5 GLY H A 4 ASP HA 1.0 . 2.77 74 74 A 6 ASP H A 5 GLY H 1.0 . 3.31 75 75 A 6 ASP H A 7 VAL HA 1.0 . 5.50 76 76 A 6 ASP HBy A 7 VAL H 1.0 . 4.50 77 77 A 6 ASP HBx A 7 VAL H 1.0 . 3.73 78 78 A 8 GLU HA A 9 GLY H 1.0 . 3.08 79 79 A 9 GLY H A 7 VAL HG2% 1.0 . 4.90 80 80 A 9 GLY H A 8 GLU HBx 1.0 . 4.38 81 81 A 9 GLY H A 8 GLU HBy 1.0 . 4.38 82 82 A 11 ALA H A 10 PRO HBy 1.0 . 3.56 83 83 A 11 ALA H A 10 PRO HBx 1.0 . 3.99 84 84 A 11 ALA H A 10 PRO HA 1.0 . 2.72 85 85 A 11 ALA H A 12 GLY H 1.0 . 4.65 86 86 A 11 ALA HB% A 12 GLY H 1.0 . 3.40 87 87 A 12 GLY H A 10 PRO HBy 1.0 . 5.50 88 88 A 11 ALA HB% A 13 CYS H 1.0 . 4.79 89 89 A 12 GLY H A 13 CYS H 1.0 . 3.09 90 90 A 14 LYS H A 14 LYS HGx 1.0 . 4.72 91 91 A 16 TYR H A 15 LYS HBy 1.0 . 3.67 92 92 A 16 TYR H A 18 VAL HB 1.0 . 5.50 93 93 A 16 TYR H A 15 LYS HBx 1.0 . 3.67 94 94 A 16 TYR H A 7 VAL HG1% 1.0 . 3.97 95 95 A 16 TYR H A 38 LEU HD2% 1.0 . 4.33 96 96 A 16 TYR H A 16 TYR HD1 1.0 . 4.92 97 97 A 16 TYR H A 29 GLN HE2x 1.0 . 3.88 98 98 A 16 TYR H A 29 GLN HE2y 1.0 . 3.88 99 99 A 16 TYR H A 17 ASP HBy 1.0 . 5.50 100 100 A 16 TYR H A 54 CYS HBy 1.0 . 5.19 101 101 A 16 TYR H A 15 LYS HA 1.0 . 3.15 102 102 A 17 ASP H A 53 VAL HB 1.0 . 3.90 103 103 A 17 ASP H A 16 TYR HBx 1.0 . 4.35 104 104 A 17 ASP H A 54 CYS HBy 1.0 . 3.88 105 105 A 17 ASP H A 16 TYR HA 1.0 . 2.90 106 106 A 17 ASP H A 54 CYS H 1.0 . 4.14 107 107 A 17 ASP H A 54 CYS HA 1.0 . 5.29 108 108 A 18 VAL H A 53 VAL HG2% 1.0 . 3.87 109 109 A 18 VAL H A 53 VAL HB 1.0 . 4.00 110 110 A 18 VAL H A 17 ASP HBx 1.0 . 4.78 111 111 A 54 CYS HBx A 18 VAL H 1.0 . 5.20 112 112 A 18 VAL H A 17 ASP HBy 1.0 . 4.51 113 113 A 18 VAL H A 54 CYS HBy 1.0 . 3.67 114 114 A 18 VAL H A 53 VAL HA 1.0 . 4.91 115 115 A 18 VAL H A 54 CYS H 1.0 . 3.92 116 116 A 17 ASP H A 18 VAL H 1.0 . 3.47 117 117 A 19 GLU H A 53 VAL HB 1.0 . 4.85 118 118 A 19 GLU H A 18 VAL HGy% 1.0 . 4.15 119 119 A 19 GLU H A 18 VAL HGx% 1.0 . 4.15 120 120 A 19 GLU H A 53 VAL HG1% 1.0 . 3.89 121 121 A 19 GLU H A 18 VAL HA 1.0 . 2.59 122 122 A 19 GLU H A 53 VAL HA 1.0 . 4.58 123 123 A 18 VAL H A 19 GLU H 1.0 . 4.35 124 124 A 20 CYS H A 19 GLU HGx 1.0 . 4.11 125 125 A 20 CYS H A 21 ASP H 1.0 . 4.48 126 126 A 20 CYS H A 19 GLU HGy 1.0 . 4.11 127 127 A 21 ASP H A 20 CYS HA 1.0 . 3.40 128 128 A 21 ASP H A 22 SER H 1.0 . 4.74 129 129 A 23 GLY H A 24 GLU H 1.0 . 3.91 130 130 A 26 CYS H A 14 LYS HBy 1.0 . 3.85 131 131 A 26 CYS H A 38 LEU HD1% 1.0 . 3.54 132 132 A 54 CYS HBx A 26 CYS H 1.0 . 5.01 133 133 A 26 CYS H A 25 CYS HA 1.0 . 3.32 134 134 A 26 CYS H A 14 LYS HA 1.0 . 5.50 135 135 A 26 CYS H A 14 LYS H 1.0 . 3.96 136 136 A 13 CYS HBx A 27 GLN H 1.0 . 5.50 137 137 A 28 LYS H A 7 VAL HG1% 1.0 . 5.38 138 138 A 28 LYS H A 38 LEU HD1% 1.0 . 5.50 139 139 A 28 LYS H A 26 CYS HA 1.0 . 5.06 140 140 A 28 LYS H A 27 GLN H 1.0 . 3.16 141 141 A 28 LYS H A 8 GLU H 1.0 . 3.48 142 142 A 29 GLN H A 7 VAL HG1% 1.0 . 5.28 143 143 A 29 GLN H A 38 LEU HD1% 1.0 . 5.50 144 144 A 29 GLN H A 38 LEU HD2% 1.0 . 4.63 145 145 A 28 LYS HBx A 29 GLN H 1.0 . 3.76 146 146 A 28 LYS HBy A 29 GLN H 1.0 . 3.91 147 147 A 30 TYR H A 7 VAL HG1% 1.0 . 3.78 148 148 A 29 GLN HBx A 30 TYR H 1.0 . 4.31 149 149 A 30 TYR H A 29 GLN HGx 1.0 . 3.59 150 150 A 30 TYR H A 29 GLN HBy 1.0 . 4.10 151 151 A 6 ASP HBy A 30 TYR H 1.0 . 4.73 152 152 A 6 ASP HBx A 30 TYR H 1.0 . 4.67 153 153 A 30 TYR H A 29 GLN HA 1.0 . 3.05 154 154 A 30 TYR H A 7 VAL HA 1.0 . 3.72 155 155 A 29 GLN H A 30 TYR H 1.0 . 4.42 156 156 A 31 LEU H A 31 LEU HD2% 1.0 . 4.76 157 157 A 31 LEU H A 36 ARG HGy 1.0 . 4.80 158 158 A 31 LEU H A 35 TRP HA 1.0 . 3.86 159 159 A 31 LEU H A 30 TYR HD1 1.0 . 3.97 160 160 A 31 LEU H A 36 ARG HE 1.0 . 4.64 161 161 A 31 LEU H A 32 TRP H 1.0 . 4.63 162 162 A 31 LEU H A 36 ARG H 1.0 . 4.03 163 163 A 31 LEU H A 31 LEU HD1% 1.0 . 4.76 164 164 A 31 LEU H A 36 ARG HGx 1.0 . 4.80 165 165 A 32 TRP H A 31 LEU HA 1.0 . 2.91 166 166 A 31 LEU HBx A 32 TRP H 1.0 . 3.91 167 167 A 31 LEU HBy A 32 TRP H 1.0 . 4.61 168 168 A 32 TRP H A 32 TRP HD1 1.0 . 4.01 169 169 A 33 TYR H A 32 TRP HA 1.0 . 3.05 170 170 A 33 TYR H A 31 LEU HA 1.0 . 4.14 171 171 A 33 TYR H A 30 TYR HE1 1.0 . 5.41 172 172 A 33 TYR H A 34 LYS H 1.0 . 3.47 173 173 A 33 TYR H A 33 TYR HD1 1.0 . 3.64 174 174 A 33 TYR H A 32 TRP H 1.0 . 3.41 175 175 A 34 LYS H A 32 TRP HBx 1.0 . 4.91 176 176 A 34 LYS H A 32 TRP HBy 1.0 . 4.91 177 177 A 33 TYR HA A 34 LYS H 1.0 . 3.51 178 178 A 34 LYS H A 30 TYR HA 1.0 . 4.69 179 179 A 34 LYS H A 31 LEU HA 1.0 . 5.14 180 180 A 34 LYS H A 30 TYR HD1 1.0 . 4.88 181 181 A 34 LYS H A 36 ARG HE 1.0 . 4.80 182 182 A 31 LEU H A 34 LYS H 1.0 . 3.56 183 183 A 34 LYS H A 35 TRP H 1.0 . 4.45 184 184 A 35 TRP H A 34 LYS HA 1.0 . 2.80 185 185 A 35 TRP H A 30 TYR HA 1.0 . 5.09 186 186 A 35 TRP H A 30 TYR HD1 1.0 . 4.10 187 187 A 35 TRP H A 30 TYR HE1 1.0 . 4.42 188 188 A 35 TRP H A 35 TRP HD1 1.0 . 3.53 189 189 A 30 TYR HD1 A 36 ARG H 1.0 . 5.12 190 190 A 36 ARG H A 37 PRO HA 1.0 . 5.30 191 191 A 36 ARG H A 30 TYR HA 1.0 . 3.88 192 192 A 36 ARG H A 36 ARG HBx 1.0 . 3.78 193 193 A 36 ARG H A 36 ARG HGy 1.0 . 4.13 194 194 A 38 LEU H A 37 PRO HGy 1.0 . 4.38 195 195 A 38 LEU H A 38 LEU HG 1.0 . 3.45 196 196 A 38 LEU H A 38 LEU HD2% 1.0 . 3.97 197 197 A 38 LEU H A 37 PRO HA 1.0 . 2.61 198 198 A 38 LEU H A 39 ASP H 1.0 . 4.60 199 199 A 39 ASP H A 55 ARG HBy 1.0 . 4.49 200 200 A 39 ASP H A 38 LEU HG 1.0 . 5.14 201 201 A 39 ASP H A 38 LEU HBx 1.0 . 3.29 202 202 A 39 ASP H A 38 LEU HD2% 1.0 . 3.29 203 203 A 39 ASP H A 54 CYS HA 1.0 . 4.27 204 204 A 39 ASP H A 56 ASP HA 1.0 . 4.43 205 205 A 39 ASP H A 38 LEU HA 1.0 . 2.77 206 206 A 39 ASP H A 57 VAL H 1.0 . 4.95 207 207 A 41 ARG H A 53 VAL HG2% 1.0 . 4.50 208 208 A 41 ARG H A 40 CYS HBx 1.0 . 4.69 209 209 A 42 CYS H A 41 ARG HBy 1.0 . 4.35 210 210 A 42 CYS H A 41 ARG HGy 1.0 . 5.03 211 211 A 42 CYS H A 41 ARG HA 1.0 . 3.39 212 212 A 42 CYS H A 52 CYS HA 1.0 . 4.68 213 213 A 43 LEU H A 42 CYS HA 1.0 . 2.85 214 214 A 43 LEU H A 52 CYS HA 1.0 . 3.80 215 215 A 45 SER H A 44 LYS HBy 1.0 . 4.35 216 216 A 45 SER H A 44 LYS HBx 1.0 . 4.35 217 217 A 45 SER HA A 46 GLY H 1.0 . 2.93 218 218 A 47 PHE H A 46 GLY HAx 1.0 . 3.56 219 219 A 47 PHE H A 46 GLY HAy 1.0 . 3.56 220 220 A 47 PHE H A 47 PHE HD1 1.0 . 4.66 221 221 A 48 PHE H A 47 PHE HBx 1.0 . 4.03 222 222 A 48 PHE H A 47 PHE HBy 1.0 . 4.03 223 223 A 48 PHE H A 47 PHE HA 1.0 . 3.35 224 224 A 48 PHE H A 48 PHE HD1 1.0 . 3.81 225 225 A 48 PHE H A 49 SER H 1.0 . 3.14 226 226 A 49 SER H A 48 PHE HBy 1.0 . 4.08 227 227 A 49 SER H A 48 PHE HBx 1.0 . 4.08 228 228 A 49 SER H A 50 SER H 1.0 . 4.32 229 229 A 51 LYS H A 50 SER HA 1.0 . 3.21 230 230 A 53 VAL HG1% A 52 CYS H 1.0 . 4.03 231 231 A 52 CYS H A 52 CYS HBy 1.0 . 3.39 232 232 A 52 CYS H A 51 LYS HA 1.0 . 2.63 233 233 A 42 CYS HA A 52 CYS H 1.0 . 4.64 234 234 A 51 LYS H A 52 CYS H 1.0 . 4.54 235 235 A 53 VAL H A 52 CYS HBx 1.0 . 3.78 236 236 A 53 VAL H A 52 CYS HBy 1.0 . 4.33 237 237 A 53 VAL H A 42 CYS HA 1.0 . 3.73 238 238 A 53 VAL H A 52 CYS HA 1.0 . 2.90 239 239 A 53 VAL HB A 54 CYS H 1.0 . 3.39 240 240 A 54 CYS HBx A 55 ARG H 1.0 . 3.70 241 241 A 55 ARG H A 41 ARG HGx 1.0 . 5.50 242 242 A 55 ARG H A 38 LEU HD2% 1.0 . 4.03 243 243 A 55 ARG H A 39 ASP HA 1.0 . 4.67 244 244 A 55 ARG H A 54 CYS HA 1.0 . 2.89 245 245 A 55 ARG H A 38 LEU HA 1.0 . 4.31 246 246 A 54 CYS HBy A 55 ARG H 1.0 . 4.54 247 247 A 39 ASP H A 55 ARG H 1.0 . 3.37 248 248 A 41 ARG H A 55 ARG H 1.0 . 3.92 249 249 A 54 CYS H A 55 ARG H 1.0 . 4.83 250 250 A 55 ARG HBx A 56 ASP H 1.0 . 3.22 251 251 A 56 ASP H A 38 LEU HD2% 1.0 . 3.84 252 252 A 56 ASP H A 16 TYR HD1 1.0 . 3.59 253 253 A 56 ASP H A 16 TYR HE1 1.0 . 3.12 254 254 A 38 LEU HA A 57 VAL H 1.0 . 3.87 255 255 A 56 ASP HA A 57 VAL H 1.0 . 2.83 256 256 A 57 VAL H A 57 VAL HB 1.0 . 3.92 257 257 A 57 VAL H A 57 VAL HGx% 1.0 . 3.91 258 258 A 57 VAL H A 57 VAL HGy% 1.0 . 2.98 259 259 A 37 PRO HGy A 57 VAL H 1.0 . 3.93 260 260 A 56 ASP H A 57 VAL H 1.0 . 4.60 261 261 A 2 ALA H A 2 ALA HB% 1.0 . 3.56 262 262 A 28 LYS H A 8 GLU HBy 1.0 . 4.17 263 263 A 31 LEU H A 30 TYR HA 1.0 . 2.84 264 264 A 41 ARG H A 40 CYS HA 1.0 . 3.13 265 265 A 44 LYS H A 43 LEU HA 1.0 . 2.63 266 266 A 6 ASP H A 30 TYR HBx 1.0 . 4.03 267 267 A 53 VAL HG1% A 54 CYS H 1.0 . 3.84 268 268 A 39 ASP H A 40 CYS H 1.0 . 4.50 269 269 A 30 TYR H A 29 GLN HGy 1.0 . 3.59 270 270 A 29 GLN HE2x A 16 TYR HBx 1.0 . 3.93 271 271 A 29 GLN HE2x A 31 LEU HD1% 1.0 . 4.67 272 272 A 30 TYR HE1 A 35 TRP HE1 1.0 . 4.14 273 273 A 30 TYR HD1 A 35 TRP HE1 1.0 . 4.05 274 274 A 35 TRP HBy A 35 TRP HE1 1.0 . 4.88 275 275 A 2 ALA HB% A 35 TRP HE1 1.0 . 3.45 276 276 A 35 TRP H A 36 ARG H 1.0 . 4.52 277 277 A 36 ARG H A 35 TRP HBx 1.0 . 3.89 278 278 A 6 ASP H A 30 TYR HBy 1.0 . 4.39 279 279 A 5 GLY H A 4 ASP H 1.0 . 4.64 280 280 A 7 VAL H A 35 TRP HH2 1.0 . 4.59 281 281 A 19 GLU HBx A 20 CYS H 1.0 . 3.94 282 282 A 19 GLU HBy A 20 CYS H 1.0 . 4.08 283 283 A 26 CYS HBx A 28 LYS H 1.0 . 3.79 284 284 A 30 TYR HBx A 31 LEU H 1.0 . 4.46 285 285 A 30 TYR HBy A 31 LEU H 1.0 . 4.75 286 286 A 32 TRP H A 31 LEU HG 1.0 . 4.81 287 287 A 35 TRP HBy A 36 ARG H 1.0 . 4.56 288 288 A 34 LYS H A 34 LYS HBy 1.0 . 3.86 289 289 A 38 LEU H A 37 PRO HGx 1.0 . 5.50 290 290 A 38 LEU H A 37 PRO HDy 1.0 . 5.50 291 291 A 38 LEU H A 37 PRO HDx 1.0 . 5.50 292 292 A 40 CYS H A 39 ASP HA 1.0 . 3.22 293 293 A 41 ARG H A 40 CYS HBy 1.0 . 4.69 294 294 A 41 ARG H A 41 ARG HDx 1.0 . 5.50 295 295 A 45 SER H A 44 LYS HA 1.0 . 2.63 296 296 A 50 SER H A 49 SER HA 1.0 . 2.65 297 297 A 42 CYS H A 41 ARG HBx 1.0 . 4.35 298 298 A 42 CYS H A 41 ARG HGx 1.0 . 5.03 299 299 A 44 LYS H A 44 LYS HDy 1.0 . 5.50 300 300 A 44 LYS H A 44 LYS HDx 1.0 . 5.50 301 301 A 55 ARG H A 57 VAL HGx% 1.0 . 4.85 302 302 A 56 ASP H A 55 ARG HGy 1.0 . 5.50 303 303 A 56 ASP H A 55 ARG HGx 1.0 . 5.50 304 304 A 51 LYS H A 51 LYS HGy 1.0 . 5.50 305 305 A 51 LYS H A 51 LYS HGx 1.0 . 5.50 306 306 A 52 CYS H A 51 LYS HBx 1.0 . 5.50 307 307 A 51 LYS H A 50 SER HBx 1.0 . 5.50 308 308 A 39 ASP H A 38 LEU HD1% 1.0 . 5.50 309 309 A 7 VAL HA A 7 VAL HG1% 1.0 . 3.16 310 310 A 7 VAL HA A 7 VAL HG2% 1.0 . 3.48 311 311 A 15 LYS HA A 15 LYS HDy 1.0 . 4.86 312 312 A 15 LYS HA A 15 LYS HDx 1.0 . 4.86 313 313 A 18 VAL HA A 18 VAL HGx% 1.0 . 2.99 314 314 A 18 VAL HA A 18 VAL HGy% 1.0 . 2.99 315 315 A 28 LYS HA A 28 LYS HDx 1.0 . 4.71 316 316 A 28 LYS HBy A 28 LYS HDx 1.0 . 3.75 317 317 A 28 LYS HA A 28 LYS HDy 1.0 . 4.71 318 318 A 28 LYS HBy A 28 LYS HDy 1.0 . 3.75 319 319 A 29 GLN HA A 29 GLN HGx 1.0 . 3.85 320 320 A 41 ARG HA A 41 ARG HDy 1.0 . 3.86 321 321 A 41 ARG HA A 41 ARG HDx 1.0 . 3.86 322 322 A 43 LEU HA A 43 LEU HDx% 1.0 . 4.11 323 323 A 43 LEU HA A 43 LEU HDy% 1.0 . 4.11 324 324 A 53 VAL HG1% A 53 VAL HA 1.0 . 3.23 325 325 A 53 VAL HG2% A 53 VAL HA 1.0 . 3.59 326 326 A 55 ARG HA A 55 ARG HDy 1.0 . 3.61 327 327 A 55 ARG HBx A 55 ARG HDy 1.0 . 3.93 328 328 A 55 ARG HA A 55 ARG HDx 1.0 . 3.61 329 329 A 55 ARG HBx A 55 ARG HDx 1.0 . 3.93 330 330 A 2 ALA HB% A 1 SER HA 1.0 . 4.51 331 331 A 2 ALA HA A 3 LYS H 1.0 . 2.80 332 332 A 30 TYR HD1 A 2 ALA HB% 1.0 . 4.29 333 333 A 30 TYR HE1 A 2 ALA HB% 1.0 . 4.65 334 334 A 2 ALA HB% A 3 LYS H 1.0 . 3.49 335 335 A 30 TYR H A 2 ALA HB% 1.0 . 5.02 336 336 A 4 ASP H A 3 LYS HA 1.0 . 2.78 337 337 A 3 LYS H A 3 LYS HGx 1.0 . 4.85 338 338 A 4 ASP H A 3 LYS HGx 1.0 . 5.26 339 339 A 30 TYR HBx A 4 ASP HA 1.0 . 4.31 340 340 A 4 ASP HA A 5 GLY HAy 1.0 . 4.65 341 341 A 29 GLN HE2x A 5 GLY HAy 1.0 . 4.41 342 342 A 29 GLN HE2y A 5 GLY HAy 1.0 . 4.41 343 343 A 6 ASP HBy A 35 TRP HH2 1.0 . 4.44 344 344 A 6 ASP HBy A 30 TYR HBx 1.0 . 3.72 345 345 A 7 VAL HA A 29 GLN HBy 1.0 . 4.35 346 346 A 7 VAL HA A 8 GLU H 1.0 . 3.07 347 347 A 8 GLU H A 7 VAL HB 1.0 . 3.19 348 348 A 7 VAL HG1% A 15 LYS HGx 1.0 . 3.19 349 349 A 29 GLN HBx A 7 VAL HG1% 1.0 . 4.11 350 350 A 7 VAL HG1% A 15 LYS HGy 1.0 . 3.19 351 351 A 7 VAL HG1% A 29 GLN HGx 1.0 . 3.69 352 352 A 29 GLN HBy A 7 VAL HG1% 1.0 . 3.41 353 353 A 7 VAL HG1% A 29 GLN HGy 1.0 . 3.69 354 354 A 29 GLN HE2x A 7 VAL HG1% 1.0 . 4.54 355 355 A 29 GLN HE2y A 7 VAL HG1% 1.0 . 4.54 356 356 A 26 CYS HBx A 7 VAL HG2% 1.0 . 4.61 357 357 A 6 ASP HA A 7 VAL HG2% 1.0 . 3.88 358 358 A 8 GLU H A 7 VAL HG2% 1.0 . 3.87 359 359 A 28 LYS H A 8 GLU HBx 1.0 . 4.17 360 360 A 8 GLU H A 8 GLU HBx 1.0 . 3.93 361 361 A 11 ALA HB% A 10 PRO HA 1.0 . 4.18 362 362 A 13 CYS HBy A 10 PRO HGx 1.0 . 5.22 363 363 A 11 ALA HA A 13 CYS H 1.0 . 3.81 364 364 A 11 ALA HB% A 12 GLY HAy 1.0 . 4.67 365 365 A 11 ALA HB% A 12 GLY HAx 1.0 . 4.67 366 366 A 14 LYS H A 13 CYS HA 1.0 . 3.11 367 367 A 27 GLN H A 26 CYS HA 1.0 . 2.95 368 368 A 13 CYS HBx A 14 LYS H 1.0 . 4.21 369 369 A 14 LYS HA A 14 LYS HGx 1.0 . 4.04 370 370 A 14 LYS HA A 18 VAL HGx% 1.0 . 4.39 371 371 A 18 VAL HB A 14 LYS HA 1.0 . 4.57 372 372 A 14 LYS HA A 15 LYS H 1.0 . 2.87 373 373 A 15 LYS HA A 7 VAL HG1% 1.0 . 3.24 374 374 A 15 LYS H A 15 LYS HBy 1.0 . 3.76 375 375 A 7 VAL HG1% A 15 LYS HDy 1.0 . 4.56 376 376 A 7 VAL HG1% A 15 LYS HDx 1.0 . 4.56 377 377 A 54 CYS HBy A 16 TYR HA 1.0 . 3.70 378 378 A 53 VAL HB A 16 TYR HA 1.0 . 5.50 379 379 A 18 VAL H A 16 TYR HA 1.0 . 4.09 380 380 A 16 TYR HA A 54 CYS HA 1.0 . 5.40 381 381 A 38 LEU HD2% A 16 TYR HBx 1.0 . 4.69 382 382 A 31 LEU HD1% A 16 TYR HBx 1.0 . 4.61 383 383 A 16 TYR HBx A 31 LEU HD2% 1.0 . 4.61 384 384 A 29 GLN HE2y A 16 TYR HBx 1.0 . 3.93 385 385 A 16 TYR HD1 A 16 TYR HBy 1.0 . 3.36 386 386 A 38 LEU HD1% A 16 TYR HBy 1.0 . 3.94 387 387 A 38 LEU HD2% A 16 TYR HBy 1.0 . 3.85 388 388 A 17 ASP HA A 16 TYR HA 1.0 . 4.55 389 389 A 17 ASP HA A 53 VAL HB 1.0 . 3.24 390 390 A 53 VAL HG2% A 18 VAL HA 1.0 . 5.10 391 391 A 53 VAL HB A 18 VAL HA 1.0 . 4.50 392 392 A 19 GLU HBy A 18 VAL HA 1.0 . 4.36 393 393 A 17 ASP HBx A 18 VAL HA 1.0 . 4.85 394 394 A 18 VAL HB A 15 LYS H 1.0 . 4.10 395 395 A 18 VAL HB A 19 GLU H 1.0 . 4.21 396 396 A 15 LYS H A 18 VAL HGx% 1.0 . 4.01 397 397 A 15 LYS H A 18 VAL HGy% 1.0 . 4.01 398 398 A 19 GLU HBx A 18 VAL HA 1.0 . 5.50 399 399 A 53 VAL HG1% A 19 GLU HGy 1.0 . 4.08 400 400 A 19 GLU H A 19 GLU HGy 1.0 . 4.38 401 401 A 53 VAL HG1% A 19 GLU HGx 1.0 . 4.08 402 402 A 19 GLU H A 19 GLU HGx 1.0 . 4.38 403 403 A 14 LYS HBy A 20 CYS HBx 1.0 . 4.36 404 404 A 21 ASP H A 20 CYS HBx 1.0 . 4.00 405 405 A 20 CYS H A 20 CYS HBx 1.0 . 4.15 406 406 A 20 CYS HBy A 14 LYS HBy 1.0 . 4.68 407 407 A 20 CYS HBy A 21 ASP H 1.0 . 3.73 408 408 A 20 CYS HBy A 21 ASP HA 1.0 . 4.80 409 409 A 23 GLY H A 22 SER HA 1.0 . 3.14 410 410 A 23 GLY H A 22 SER HBy 1.0 . 5.32 411 411 A 23 GLY H A 22 SER HBx 1.0 . 5.32 412 412 A 38 LEU HD1% A 26 CYS HA 1.0 . 5.22 413 413 A 26 CYS HBx A 7 VAL HB 1.0 . 3.28 414 414 A 13 CYS HBy A 26 CYS HBx 1.0 . 4.86 415 415 A 26 CYS HBx A 27 GLN H 1.0 . 3.52 416 416 A 26 CYS HBx A 8 GLU H 1.0 . 3.85 417 417 A 26 CYS HBx A 38 LEU HD1% 1.0 . 3.41 418 418 A 26 CYS HBy A 38 LEU HD1% 1.0 . 3.11 419 419 A 26 CYS HBy A 7 VAL HB 1.0 . 4.08 420 420 A 26 CYS HBy A 28 LYS H 1.0 . 5.17 421 421 A 26 CYS HBy A 27 GLN H 1.0 . 4.03 422 422 A 26 CYS HBy A 8 GLU H 1.0 . 5.41 423 423 A 38 LEU HD1% A 28 LYS HA 1.0 . 4.60 424 424 A 28 LYS HA A 37 PRO HBx 1.0 . 4.55 425 425 A 35 TRP HE3 A 28 LYS HA 1.0 . 4.81 426 426 A 38 LEU H A 28 LYS HA 1.0 . 5.02 427 427 A 29 GLN H A 28 LYS HA 1.0 . 3.09 428 428 A 28 LYS HBx A 35 TRP HE3 1.0 . 4.21 429 429 A 30 TYR HBy A 29 GLN HA 1.0 . 4.45 430 430 A 29 GLN HA A 7 VAL HG1% 1.0 . 3.23 431 431 A 29 GLN HA A 29 GLN HGy 1.0 . 3.85 432 432 A 7 VAL HA A 29 GLN HA 1.0 . 3.11 433 433 A 29 GLN HBx A 38 LEU HD1% 1.0 . 3.60 434 434 A 29 GLN HBx A 38 LEU HD2% 1.0 . 4.40 435 435 A 31 LEU HBy A 30 TYR HA 1.0 . 4.96 436 436 A 30 TYR HD1 A 30 TYR HA 1.0 . 3.42 437 437 A 6 ASP HBx A 30 TYR HBx 1.0 . 4.53 438 438 A 30 TYR HBy A 2 ALA HB% 1.0 . 4.30 439 439 A 30 TYR HBy A 30 TYR HD1 1.0 . 3.54 440 440 A 31 LEU HA A 31 LEU HD1% 1.0 . 3.96 441 441 A 31 LEU HA A 32 TRP HA 1.0 . 4.53 442 442 A 32 TRP HD1 A 32 TRP HA 1.0 . 3.43 443 443 A 34 LYS H A 32 TRP HA 1.0 . 4.62 444 444 A 32 TRP HE3 A 32 TRP HBx 1.0 . 3.95 445 445 A 33 TYR HA A 30 TYR HE1 1.0 . 3.97 446 446 A 33 TYR HA A 33 TYR HD1 1.0 . 3.76 447 447 A 30 TYR HE1 A 34 LYS HA 1.0 . 3.91 448 448 A 36 ARG HE A 34 LYS HBy 1.0 . 4.51 449 449 A 35 TRP HA A 30 TYR HD1 1.0 . 4.03 450 450 A 35 TRP HE3 A 35 TRP HA 1.0 . 3.70 451 451 A 35 TRP HA A 36 ARG H 1.0 . 2.86 452 452 A 35 TRP HBx A 28 LYS HDy 1.0 . 4.09 453 453 A 35 TRP HE3 A 35 TRP HBx 1.0 . 3.78 454 454 A 35 TRP H A 35 TRP HBx 1.0 . 3.69 455 455 A 29 GLN H A 35 TRP HBx 1.0 . 4.80 456 456 A 38 LEU HD2% A 37 PRO HA 1.0 . 4.94 457 457 A 37 PRO HA A 57 VAL HGy% 1.0 . 5.44 458 458 A 29 GLN H A 37 PRO HA 1.0 . 4.09 459 459 A 57 VAL HGy% A 37 PRO HBx 1.0 . 4.47 460 460 A 38 LEU H A 37 PRO HBx 1.0 . 3.89 461 461 A 37 PRO HBx A 36 ARG HA 1.0 . 4.99 462 462 A 57 VAL HGy% A 37 PRO HBy 1.0 . 3.30 463 463 A 38 LEU H A 37 PRO HBy 1.0 . 3.96 464 464 A 37 PRO HDy A 36 ARG HBy 1.0 . 3.98 465 465 A 37 PRO HDx A 36 ARG HBy 1.0 . 4.47 466 466 A 38 LEU HG A 38 LEU HA 1.0 . 4.08 467 467 A 38 LEU HBy A 39 ASP H 1.0 . 4.05 468 468 A 57 VAL HGx% A 39 ASP HBy 1.0 . 3.62 469 469 A 40 CYS H A 39 ASP HBy 1.0 . 4.32 470 470 A 57 VAL HGx% A 39 ASP HBx 1.0 . 3.62 471 471 A 57 VAL HGy% A 39 ASP HBx 1.0 . 3.61 472 472 A 40 CYS H A 39 ASP HBx 1.0 . 4.32 473 473 A 39 ASP H A 39 ASP HBx 1.0 . 4.13 474 474 A 40 CYS H A 40 CYS HBy 1.0 . 3.61 475 475 A 16 TYR HE1 A 55 ARG HDy 1.0 . 3.97 476 476 A 42 CYS HA A 52 CYS HBy 1.0 . 4.88 477 477 A 42 CYS HA A 52 CYS HBx 1.0 . 4.03 478 478 A 53 VAL HG2% A 42 CYS HA 1.0 . 4.93 479 479 A 52 CYS HA A 42 CYS HA 1.0 . 2.87 480 480 A 42 CYS HBx A 43 LEU HA 1.0 . 4.93 481 481 A 42 CYS HBx A 43 LEU H 1.0 . 3.97 482 482 A 47 PHE HD1 A 47 PHE HA 1.0 . 3.60 483 483 A 53 VAL HG1% A 51 LYS HGx 1.0 . 3.92 484 484 A 19 GLU HBy A 53 VAL HG1% 1.0 . 4.20 485 485 A 17 ASP HA A 53 VAL HG1% 1.0 . 4.07 486 486 A 53 VAL HG1% A 51 LYS HGy 1.0 . 3.92 487 487 A 53 VAL HG1% A 19 GLU HA 1.0 . 3.52 488 488 A 53 VAL HG2% A 17 ASP HBx 1.0 . 4.86 489 489 A 53 VAL HG2% A 55 ARG HDx 1.0 . 4.38 490 490 A 17 ASP HA A 53 VAL HG2% 1.0 . 3.63 491 491 A 53 VAL HG2% A 19 GLU HA 1.0 . 5.40 492 492 A 54 CYS H A 53 VAL HG2% 1.0 . 4.18 493 493 A 53 VAL H A 53 VAL HG2% 1.0 . 3.39 494 494 A 17 ASP H A 53 VAL HG2% 1.0 . 4.15 495 495 A 43 LEU H A 53 VAL HG2% 1.0 . 5.25 496 496 A 54 CYS HA A 55 ARG HBy 1.0 . 4.79 497 497 A 54 CYS HA A 53 VAL HG2% 1.0 . 4.52 498 498 A 41 ARG H A 54 CYS HA 1.0 . 3.83 499 499 A 38 LEU HD2% A 56 ASP HA 1.0 . 3.04 500 500 A 36 ARG HBx A 56 ASP HA 1.0 . 5.50 501 501 A 37 PRO HGy A 56 ASP HA 1.0 . 5.50 502 502 A 56 ASP HA A 36 ARG HBy 1.0 . 4.40 503 503 A 56 ASP HA A 38 LEU HA 1.0 . 3.25 504 504 A 31 LEU HD1% A 56 ASP HBy 1.0 . 5.87 505 505 A 38 LEU HD2% A 56 ASP HBy 1.0 . 4.25 506 506 A 8 GLU H A 8 GLU HBy 1.0 . 3.93 507 507 A 41 ARG H A 41 ARG HBy 1.0 . 3.81 508 508 A 13 CYS HBy A 14 LYS H 1.0 . 3.86 509 509 A 54 CYS HA A 40 CYS HA 1.0 . 4.14 510 510 A 54 CYS HBx A 16 TYR HA 1.0 . 3.65 511 511 A 3 LYS H A 3 LYS HGy 1.0 . 4.85 512 512 A 4 ASP H A 3 LYS HGy 1.0 . 5.26 513 513 A 15 LYS H A 15 LYS HBx 1.0 . 3.76 514 514 A 28 LYS HBy A 35 TRP HE3 1.0 . 4.10 515 515 A 42 CYS HBy A 43 LEU H 1.0 . 4.65 516 516 A 49 SER H A 49 SER HBy 1.0 . 3.85 517 517 A 54 CYS H A 53 VAL HA 1.0 . 2.95 518 518 A 38 LEU HD2% A 56 ASP HBx 1.0 . 4.25 519 519 A 31 LEU HBx A 31 LEU HD1% 1.0 . 3.39 520 520 A 31 LEU HBy A 31 LEU HD1% 1.0 . 3.58 521 521 A 31 LEU HBx A 31 LEU HD2% 1.0 . 3.39 522 522 A 31 LEU HBy A 31 LEU HD2% 1.0 . 3.58 523 523 A 31 LEU HA A 31 LEU HG 1.0 . 3.93 524 524 A 29 GLN HBx A 31 LEU HG 1.0 . 4.17 525 525 A 29 GLN HBx A 31 LEU HD1% 1.0 . 4.49 526 526 A 29 GLN HBx A 31 LEU HD2% 1.0 . 4.49 527 527 A 36 ARG HBy A 31 LEU HD1% 1.0 . 5.50 528 528 A 16 TYR HBy A 31 LEU HD1% 1.0 . 3.71 529 529 A 36 ARG HBy A 31 LEU HD2% 1.0 . 5.50 530 530 A 31 LEU HD2% A 56 ASP HBx 1.0 . 5.87 531 531 A 16 TYR HBy A 31 LEU HD2% 1.0 . 3.71 532 532 A 31 LEU HG A 29 GLN HGx 1.0 . 4.26 533 533 A 31 LEU HG A 29 GLN HGy 1.0 . 4.26 534 534 A 31 LEU HA A 31 LEU HD2% 1.0 . 3.96 535 535 A 31 LEU H A 31 LEU HG 1.0 . 4.21 536 536 A 16 TYR HE1 A 31 LEU HD1% 1.0 . 4.36 537 537 A 29 GLN HE2y A 31 LEU HD1% 1.0 . 4.67 538 538 A 32 TRP H A 31 LEU HD1% 1.0 . 5.33 539 539 A 16 TYR HD1 A 31 LEU HD2% 1.0 . 3.73 540 540 A 29 GLN HE2x A 31 LEU HD2% 1.0 . 4.67 541 541 A 16 TYR HE1 A 31 LEU HD2% 1.0 . 4.36 542 542 A 29 GLN HE2y A 31 LEU HD2% 1.0 . 4.67 543 543 A 32 TRP H A 31 LEU HD2% 1.0 . 5.33 544 544 A 36 ARG HBx A 36 ARG HDx 1.0 . 3.82 545 545 A 36 ARG HBx A 36 ARG HDy 1.0 . 3.82 546 546 A 36 ARG HBx A 37 PRO HDy 1.0 . 4.13 547 547 A 36 ARG HBy A 36 ARG HDx 1.0 . 3.95 548 548 A 36 ARG HBy A 36 ARG HDy 1.0 . 3.95 549 549 A 36 ARG H A 36 ARG HBy 1.0 . 3.80 550 550 A 37 PRO HDy A 36 ARG HA 1.0 . 2.96 551 551 A 37 PRO HDx A 36 ARG HA 1.0 . 3.00 552 552 A 37 PRO HGx A 36 ARG HA 1.0 . 4.55 553 553 A 36 ARG HA A 36 ARG HGy 1.0 . 3.95 554 554 A 36 ARG HA A 36 ARG HGx 1.0 . 3.95 555 555 A 36 ARG H A 36 ARG HGx 1.0 . 4.13 556 556 A 27 GLN H A 10 PRO HD2 1.0 . 4.19 557 557 A 38 LEU HD2% A 38 LEU HBx 1.0 . 3.27 558 558 A 38 LEU HBy A 38 LEU HD2% 1.0 . 3.32 559 559 A 38 LEU HD2% A 16 TYR HA 1.0 . 4.01 560 560 A 38 LEU HD2% A 38 LEU HA 1.0 . 3.09 561 561 A 38 LEU HD2% A 16 TYR HD1 1.0 . 3.34 562 562 A 38 LEU HD2% A 57 VAL H 1.0 . 4.58 563 563 A 38 LEU HD2% A 31 LEU HD1% 1.0 . 4.08 564 564 A 38 LEU HD2% A 31 LEU HD2% 1.0 . 4.08 565 565 A 54 CYS HBy A 38 LEU HD2% 1.0 . 4.46 566 566 A 38 LEU HD2% A 15 LYS HA 1.0 . 5.50 567 567 A 38 LEU HD2% A 37 PRO HDy 1.0 . 5.50 568 568 A 38 LEU HD2% A 28 LYS HA 1.0 . 5.09 569 569 A 6 ASP HBy A 30 TYR HBy 1.0 . 3.97 570 570 A 6 ASP HBy A 2 ALA HB% 1.0 . 4.38 571 571 A 6 ASP HBx A 2 ALA HB% 1.0 . 4.36 572 572 A 26 CYS HBx A 7 VAL HG1% 1.0 . 4.03 573 573 A 13 CYS HBy A 26 CYS H 1.0 . 4.51 574 574 A 13 CYS HBx A 10 PRO HD2 1.0 . 3.40 575 575 A 13 CYS HBy A 10 PRO HD2 1.0 . 4.04 576 576 A 13 CYS HBx A 10 PRO HGy 1.0 . 3.36 577 577 A 13 CYS HBy A 10 PRO HGy 1.0 . 3.78 578 578 A 13 CYS HBx A 10 PRO HBx 1.0 . 5.50 579 579 A 13 CYS HBx A 26 CYS HBy 1.0 . 5.50 580 580 A 13 CYS HBy A 26 CYS HBy 1.0 . 4.30 581 581 A 38 LEU HD1% A 16 TYR HBx 1.0 . 4.56 582 582 A 24 GLU HA A 24 GLU HGy 1.0 . 3.78 583 583 A 24 GLU HA A 24 GLU HGx 1.0 . 3.78 584 584 A 24 GLU H A 24 GLU HGy 1.0 . 4.91 585 585 A 24 GLU H A 24 GLU HGx 1.0 . 4.91 586 586 A 28 LYS H A 27 GLN HBy 1.0 . 3.71 587 587 A 27 GLN H A 27 GLN HBy 1.0 . 3.72 588 588 A 28 LYS H A 27 GLN HBx 1.0 . 3.71 589 589 A 27 GLN H A 27 GLN HBx 1.0 . 3.72 590 590 A 38 LEU HD1% A 29 GLN HBy 1.0 . 3.77 591 591 A 6 ASP HBx A 30 TYR HBy 1.0 . 4.23 592 592 A 28 LYS HBx A 35 TRP HBy 1.0 . 4.95 593 593 A 28 LYS HBx A 35 TRP HBx 1.0 . 3.95 594 594 A 28 LYS HBy A 35 TRP HBx 1.0 . 4.21 595 595 A 28 LYS HBy A 35 TRP HBy 1.0 . 5.50 596 596 A 35 TRP HBx A 28 LYS HDx 1.0 . 4.09 597 597 A 35 TRP HBy A 34 LYS HA 1.0 . 4.63 598 598 A 31 LEU HBy A 36 ARG HDx 1.0 . 4.56 599 599 A 31 LEU HBy A 36 ARG HDy 1.0 . 4.56 600 600 A 57 VAL HGy% A 37 PRO HDy 1.0 . 4.44 601 601 A 37 PRO HGy A 57 VAL HGy% 1.0 . 3.21 602 602 A 57 VAL HGy% A 39 ASP HBy 1.0 . 3.61 603 603 A 56 ASP HA A 57 VAL HGy% 1.0 . 4.09 604 604 A 38 LEU HA A 57 VAL HGy% 1.0 . 4.02 605 605 A 39 ASP H A 57 VAL HGy% 1.0 . 4.33 606 606 A 57 VAL HGy% A 37 PRO HGx 1.0 . 3.32 607 607 A 57 VAL HGx% A 57 VAL HA 1.0 . 3.20 608 608 A 57 VAL HGy% A 57 VAL HA 1.0 . 3.49 609 609 A 56 ASP HA A 57 VAL HA 1.0 . 4.56 610 610 A 39 ASP H A 57 VAL HGx% 1.0 . 4.05 611 611 A 38 LEU HG A 28 LYS HA 1.0 . 3.98 612 612 A 29 GLN H A 38 LEU HG 1.0 . 4.27 613 613 A 54 CYS HBy A 38 LEU HD1% 1.0 . 3.80 614 614 A 16 TYR HA A 38 LEU HD1% 1.0 . 3.93 615 615 A 15 LYS HA A 38 LEU HD1% 1.0 . 3.63 616 616 A 16 TYR H A 38 LEU HD1% 1.0 . 3.52 617 617 A 38 LEU H A 38 LEU HD1% 1.0 . 4.54 618 618 A 16 TYR HD1 A 38 LEU HD1% 1.0 . 4.34 619 619 A 38 LEU HD1% A 38 LEU HA 1.0 . 4.31 620 620 A 42 CYS HBy A 52 CYS HA 1.0 . 4.85 621 621 A 27 GLN H A 9 GLY HA3 1.0 . 3.76 622 622 A 10 PRO HD2 A 9 GLY HA3 1.0 . 2.75 623 623 A 10 PRO HGy A 9 GLY HA3 1.0 . 4.20 624 624 A 14 LYS HA A 14 LYS HGy 1.0 . 4.04 625 625 A 14 LYS H A 14 LYS HGy 1.0 . 4.72 626 626 A 15 LYS H A 14 LYS HBx 1.0 . 3.93 627 627 A 14 LYS H A 14 LYS HBx 1.0 . 3.85 628 628 A 14 LYS HBx A 14 LYS HEy 1.0 . 5.50 629 629 A 14 LYS HA A 14 LYS HEx 1.0 . 5.50 630 630 A 14 LYS HA A 14 LYS HEy 1.0 . 5.50 631 631 A 14 LYS HBx A 14 LYS HEx 1.0 . 5.50 632 632 A 20 CYS HBy A 14 LYS HBx 1.0 . 5.50 633 633 A 14 LYS HBy A 14 LYS HEy 1.0 . 5.50 634 634 A 14 LYS HBy A 14 LYS HEx 1.0 . 5.50 635 635 A 20 CYS HA A 14 LYS HDy 1.0 . 4.81 636 636 A 20 CYS HA A 14 LYS HDx 1.0 . 4.81 637 637 A 14 LYS HA A 18 VAL HGy% 1.0 . 4.39 638 638 A 18 VAL HB A 14 LYS HBx 1.0 . 4.24 639 639 A 29 GLN HBx A 28 LYS HA 1.0 . 5.50 640 640 A 52 CYS H A 51 LYS HBy 1.0 . 5.50 641 641 A 55 ARG H A 55 ARG HBy 1.0 . 4.05 642 642 A 56 ASP H A 55 ARG HBy 1.0 . 4.15 643 643 A 51 LYS H A 50 SER HBy 1.0 . 5.50 644 644 A 52 CYS H A 52 CYS HBx 1.0 . 3.71 645 645 A 53 VAL HG2% A 52 CYS HA 1.0 . 3.84 646 646 A 36 ARG HE A 34 LYS HBx 1.0 . 4.51 647 647 A 54 CYS HBx A 38 LEU HD1% 1.0 . 3.77 648 648 A 53 VAL HG2% A 55 ARG HDy 1.0 . 4.38 649 649 A 55 ARG H A 41 ARG HGy 1.0 . 5.50 650 650 A 55 ARG H A 55 ARG HGx 1.0 . 5.50 651 651 A 55 ARG H A 55 ARG HGy 1.0 . 5.50 652 652 A 44 LYS HA A 44 LYS HDx 1.0 . 5.50 653 653 A 44 LYS HA A 44 LYS HDy 1.0 . 5.50 654 654 A 32 TRP HE3 A 32 TRP HBy 1.0 . 3.95 655 655 A 35 TRP HBy A 35 TRP HD1 1.0 . 3.48 656 656 A 6 ASP HBx A 35 TRP HZ2 1.0 . 4.16 657 657 A 2 ALA HB% A 35 TRP HZ2 1.0 . 3.47 658 658 A 16 TYR HE1 A 55 ARG HA 1.0 . 3.62 659 659 A 16 TYR HE1 A 55 ARG HDx 1.0 . 3.97 660 660 A 35 TRP HE3 A 36 ARG H 1.0 . 4.34 661 661 A 30 TYR H A 35 TRP HZ3 1.0 . 3.66 662 662 A 7 VAL HA A 35 TRP HZ3 1.0 . 3.28 663 663 A 30 TYR H A 35 TRP HH2 1.0 . 4.35 664 664 A 7 VAL HA A 35 TRP HH2 1.0 . 4.26 665 665 A 6 ASP HBx A 35 TRP HH2 1.0 . 3.40 666 666 A 2 ALA HB% A 35 TRP HH2 1.0 . 3.99 667 667 A 30 TYR HE1 A 34 LYS HA 1.0 . 3.55 668 667 A 34 LYS HA A 30 TYR HE2 1.0 . 3.55 669 668 A 30 TYR HE1 A 2 ALA HB% 1.0 . 4.10 670 668 A 2 ALA HB% A 30 TYR HE2 1.0 . 4.10 671 669 A 35 TRP H A 30 TYR HE1 1.0 . 4.78 672 669 A 35 TRP H A 30 TYR HE2 1.0 . 4.78 673 670 A 30 TYR HD1 A 34 LYS HA 1.0 . 3.86 674 670 A 34 LYS HA A 30 TYR HD2 1.0 . 3.86 675 671 A 30 TYR HD1 A 35 TRP HD1 1.0 . 4.74 676 671 A 35 TRP HD1 A 30 TYR HD2 1.0 . 4.74 677 672 A 30 TYR H A 30 TYR HD1 1.0 . 4.28 678 672 A 30 TYR H A 30 TYR HD2 1.0 . 4.28 679 673 A 38 LEU HD2% A 16 TYR HE1 1.0 . 4.35 680 674 A 16 TYR HE1 A 16 TYR HBx 1.0 . 4.61 681 674 A 16 TYR HE1 A 16 TYR HBy 1.0 . 4.61 682 675 A 17 ASP H A 16 TYR HD1 1.0 . 4.03 683 676 A 16 TYR HD1 A 55 ARG HA 1.0 . 3.46 684 677 A 16 TYR HD1 A 16 TYR HA 1.0 . 3.74 685 678 A 16 TYR HD1 A 16 TYR HBx 1.0 . 2.77 686 678 A 16 TYR HD1 A 16 TYR HBy 1.0 . 2.77 687 679 A 16 TYR HD1 A 31 LEU HD1% 1.0 . 3.73 688 680 A 35 TRP HZ3 A 7 VAL HG2% 1.0 . 4.05 689 680 A 35 TRP HZ3 A 7 VAL HG1% 1.0 . 4.05 690 681 A 2 ALA H A 1 SER HBx 1.0 . 4.27 691 681 A 2 ALA H A 1 SER HBy 1.0 . 4.27 692 682 A 3 LYS H A 3 LYS HD2 1.0 . 5.34 693 682 A 3 LYS H A 3 LYS HD3 1.0 . 5.34 694 683 A 3 LYS H A 3 LYS HE2 1.0 . 5.34 695 683 A 3 LYS H A 3 LYS HE3 1.0 . 5.34 696 684 A 3 LYS HA A 4 ASP HB2 1.0 . 4.78 697 684 A 3 LYS HA A 4 ASP HB3 1.0 . 4.78 698 685 A 3 LYS HB3 A 3 LYS HE2 1.0 . 5.18 699 685 A 3 LYS HB2 A 3 LYS HE2 1.0 . 5.18 700 685 A 3 LYS HE3 A 3 LYS HB2 1.0 . 5.18 701 685 A 3 LYS HE3 A 3 LYS HB3 1.0 . 5.18 702 686 A 4 ASP H A 3 LYS HB2 1.0 . 3.27 703 686 A 4 ASP H A 3 LYS HB3 1.0 . 3.27 704 687 A 3 LYS HB3 A 4 ASP HB2 1.0 . 4.69 705 687 A 3 LYS HB2 A 4 ASP HB2 1.0 . 4.69 706 687 A 4 ASP HB3 A 3 LYS HB2 1.0 . 4.69 707 687 A 4 ASP HB3 A 3 LYS HB3 1.0 . 4.69 708 688 A 4 ASP H A 3 LYS HD2 1.0 . 5.34 709 688 A 4 ASP H A 3 LYS HD3 1.0 . 5.34 710 689 A 4 ASP H A 3 LYS HE2 1.0 . 5.34 711 689 A 4 ASP H A 3 LYS HE3 1.0 . 5.34 712 690 A 4 ASP H A 4 ASP HB2 1.0 . 2.85 713 690 A 4 ASP H A 4 ASP HB3 1.0 . 2.85 714 691 A 5 GLY H A 4 ASP HB2 1.0 . 4.38 715 691 A 5 GLY H A 4 ASP HB3 1.0 . 4.38 716 692 A 29 GLN HE2y A 5 GLY HAy 1.0 . 3.79 717 692 A 29 GLN HE2x A 5 GLY HAy 1.0 . 3.79 718 693 A 29 GLN HE2y A 5 GLY HAx 1.0 . 4.83 719 693 A 29 GLN HE2x A 5 GLY HAx 1.0 . 4.83 720 694 A 7 VAL H A 15 LYS HE2 1.0 . 4.74 721 694 A 7 VAL H A 15 LYS HE3 1.0 . 4.74 722 695 A 7 VAL HA A 29 GLN HGx 1.0 . 4.37 723 695 A 7 VAL HA A 29 GLN HGy 1.0 . 4.37 724 696 A 7 VAL HG1% A 15 LYS HDy 1.0 . 3.97 725 696 A 7 VAL HG1% A 15 LYS HDx 1.0 . 3.97 726 697 A 7 VAL HG1% A 15 LYS HE3 1.0 . 3.38 727 697 A 7 VAL HG1% A 15 LYS HE2 1.0 . 3.38 728 698 A 7 VAL HG1% A 29 GLN HGy 1.0 . 3.16 729 698 A 7 VAL HG1% A 29 GLN HGx 1.0 . 3.16 730 699 A 29 GLN HE2y A 7 VAL HG1% 1.0 . 3.86 731 699 A 29 GLN HE2x A 7 VAL HG1% 1.0 . 3.86 732 700 A 15 LYS HGy A 7 VAL HG2% 1.0 . 4.02 733 700 A 7 VAL HG2% A 15 LYS HGx 1.0 . 4.02 734 701 A 15 LYS HE3 A 7 VAL HG2% 1.0 . 3.49 735 701 A 7 VAL HG2% A 15 LYS HE2 1.0 . 3.49 736 702 A 8 GLU H A 8 GLU HG2 1.0 . 4.39 737 702 A 8 GLU H A 8 GLU HG3 1.0 . 4.39 738 703 A 9 GLY H A 8 GLU HBx 1.0 . 3.77 739 703 A 9 GLY H A 8 GLU HBy 1.0 . 3.77 740 704 A 28 LYS H A 8 GLU HBx 1.0 . 3.60 741 704 A 28 LYS H A 8 GLU HBy 1.0 . 3.60 742 705 A 9 GLY H A 8 GLU HG2 1.0 . 3.65 743 705 A 9 GLY H A 8 GLU HG3 1.0 . 3.65 744 706 A 9 GLY HA3 A 27 GLN HG2 1.0 . 3.69 745 706 A 9 GLY HA3 A 27 GLN HG3 1.0 . 3.69 746 707 A 10 PRO HD2 A 27 GLN HG2 1.0 . 3.83 747 707 A 10 PRO HD2 A 27 GLN HG3 1.0 . 3.83 748 708 A 11 ALA HA A 12 GLY HAy 1.0 . 4.37 749 708 A 11 ALA HA A 12 GLY HAx 1.0 . 4.37 750 709 A 11 ALA HB% A 12 GLY HAy 1.0 . 3.86 751 709 A 11 ALA HB% A 12 GLY HAx 1.0 . 3.86 752 710 A 13 CYS H A 12 GLY HAy 1.0 . 2.97 753 710 A 13 CYS H A 12 GLY HAx 1.0 . 2.97 754 711 A 14 LYS H A 14 LYS HGx 1.0 . 4.02 755 711 A 14 LYS H A 14 LYS HGy 1.0 . 4.02 756 712 A 14 LYS HA A 14 LYS HGx 1.0 . 3.23 757 712 A 14 LYS HA A 14 LYS HGy 1.0 . 3.23 758 713 A 14 LYS HA A 14 LYS HDx 1.0 . 3.99 759 713 A 14 LYS HA A 14 LYS HDy 1.0 . 3.99 760 714 A 14 LYS HA A 18 VAL HGy% 1.0 . 3.50 761 714 A 14 LYS HA A 18 VAL HGx% 1.0 . 3.50 762 715 A 14 LYS HBy A 18 VAL HGy% 1.0 . 4.49 763 715 A 14 LYS HBy A 18 VAL HGx% 1.0 . 4.49 764 716 A 14 LYS HGy A 18 VAL HGy% 1.0 . 3.79 765 716 A 18 VAL HGx% A 14 LYS HGx 1.0 . 3.79 766 716 A 14 LYS HGy A 18 VAL HGx% 1.0 . 3.79 767 716 A 14 LYS HGx A 18 VAL HGy% 1.0 . 3.79 768 717 A 20 CYS HBy A 14 LYS HGx 1.0 . 5.34 769 717 A 20 CYS HBy A 14 LYS HGy 1.0 . 5.34 770 718 A 20 CYS HBx A 14 LYS HGx 1.0 . 4.41 771 718 A 20 CYS HBx A 14 LYS HGy 1.0 . 4.41 772 719 A 14 LYS HDy A 18 VAL HGy% 1.0 . 3.08 773 719 A 18 VAL HGx% A 14 LYS HDx 1.0 . 3.08 774 719 A 14 LYS HDy A 18 VAL HGx% 1.0 . 3.08 775 719 A 14 LYS HDx A 18 VAL HGy% 1.0 . 3.08 776 720 A 20 CYS HA A 14 LYS HDx 1.0 . 4.01 777 720 A 20 CYS HA A 14 LYS HDy 1.0 . 4.01 778 721 A 20 CYS HBy A 14 LYS HDx 1.0 . 4.84 779 721 A 20 CYS HBy A 14 LYS HDy 1.0 . 4.84 780 722 A 20 CYS HBx A 14 LYS HDx 1.0 . 4.43 781 722 A 20 CYS HBx A 14 LYS HDy 1.0 . 4.43 782 723 A 14 LYS HEy A 18 VAL HGy% 1.0 . 4.01 783 723 A 18 VAL HGx% A 14 LYS HEx 1.0 . 4.01 784 723 A 18 VAL HGx% A 14 LYS HEy 1.0 . 4.01 785 723 A 14 LYS HEx A 18 VAL HGy% 1.0 . 4.01 786 724 A 15 LYS H A 15 LYS HBx 1.0 . 3.25 787 724 A 15 LYS H A 15 LYS HBy 1.0 . 3.25 788 725 A 15 LYS H A 15 LYS HGx 1.0 . 3.79 789 725 A 15 LYS H A 15 LYS HGy 1.0 . 3.79 790 726 A 15 LYS H A 15 LYS HDx 1.0 . 3.92 791 726 A 15 LYS H A 15 LYS HDy 1.0 . 3.92 792 727 A 15 LYS H A 15 LYS HE2 1.0 . 5.34 793 727 A 15 LYS H A 15 LYS HE3 1.0 . 5.34 794 728 A 15 LYS H A 18 VAL HGy% 1.0 . 3.21 795 728 A 15 LYS H A 18 VAL HGx% 1.0 . 3.21 796 729 A 15 LYS HA A 15 LYS HGx 1.0 . 3.11 797 729 A 15 LYS HA A 15 LYS HGy 1.0 . 3.11 798 730 A 15 LYS HA A 15 LYS HDx 1.0 . 4.10 799 730 A 15 LYS HA A 15 LYS HDy 1.0 . 4.10 800 731 A 15 LYS HA A 15 LYS HE2 1.0 . 5.07 801 731 A 15 LYS HA A 15 LYS HE3 1.0 . 5.07 802 732 A 15 LYS HBy A 15 LYS HDx 1.0 . 3.10 803 732 A 15 LYS HBx A 15 LYS HDx 1.0 . 3.10 804 732 A 15 LYS HDy A 15 LYS HBx 1.0 . 3.10 805 732 A 15 LYS HDy A 15 LYS HBy 1.0 . 3.10 806 733 A 15 LYS HBy A 15 LYS HE2 1.0 . 4.14 807 733 A 15 LYS HBx A 15 LYS HE2 1.0 . 4.14 808 733 A 15 LYS HE3 A 15 LYS HBx 1.0 . 4.14 809 733 A 15 LYS HE3 A 15 LYS HBy 1.0 . 4.14 810 734 A 16 TYR H A 15 LYS HBx 1.0 . 3.07 811 734 A 16 TYR H A 15 LYS HBy 1.0 . 3.07 812 735 A 16 TYR HA A 15 LYS HBx 1.0 . 5.34 813 735 A 16 TYR HA A 15 LYS HBy 1.0 . 5.34 814 736 A 29 GLN HE2y A 15 LYS HBy 1.0 . 3.91 815 736 A 29 GLN HE2y A 15 LYS HBx 1.0 . 3.91 816 736 A 29 GLN HE2x A 15 LYS HBx 1.0 . 3.91 817 736 A 29 GLN HE2x A 15 LYS HBy 1.0 . 3.91 818 737 A 15 LYS HE3 A 15 LYS HGx 1.0 . 2.91 819 737 A 15 LYS HE2 A 15 LYS HGx 1.0 . 2.91 820 737 A 15 LYS HGy A 15 LYS HE2 1.0 . 2.91 821 737 A 15 LYS HE3 A 15 LYS HGy 1.0 . 2.91 822 738 A 16 TYR H A 15 LYS HGx 1.0 . 4.11 823 738 A 16 TYR H A 15 LYS HGy 1.0 . 4.11 824 739 A 29 GLN HE2x A 15 LYS HGx 1.0 . 3.87 825 739 A 29 GLN HE2y A 15 LYS HGy 1.0 . 3.87 826 739 A 29 GLN HE2x A 15 LYS HGy 1.0 . 3.87 827 739 A 29 GLN HE2y A 15 LYS HGx 1.0 . 3.87 828 740 A 16 TYR H A 18 VAL HGy% 1.0 . 4.96 829 740 A 16 TYR H A 18 VAL HGx% 1.0 . 4.96 830 741 A 16 TYR H A 31 LEU HD2% 1.0 . 5.26 831 741 A 16 TYR H A 31 LEU HD1% 1.0 . 5.26 832 742 A 16 TYR HA A 31 LEU HD2% 1.0 . 4.98 833 742 A 16 TYR HA A 31 LEU HD1% 1.0 . 4.98 834 743 A 29 GLN HE2y A 16 TYR HBy 1.0 . 4.34 835 743 A 29 GLN HE2x A 16 TYR HBy 1.0 . 4.34 836 744 A 31 LEU HD1% A 16 TYR HBx 1.0 . 3.67 837 744 A 16 TYR HBx A 31 LEU HD2% 1.0 . 3.67 838 745 A 16 TYR HD1 A 29 GLN HE2y 1.0 . 5.34 839 745 A 16 TYR HD1 A 29 GLN HE2x 1.0 . 5.34 840 746 A 16 TYR HD1 A 31 LEU HD2% 1.0 . 3.09 841 746 A 16 TYR HD1 A 31 LEU HD1% 1.0 . 3.09 842 747 A 16 TYR HE1 A 55 ARG HGy 1.0 . 5.00 843 747 A 16 TYR HE1 A 55 ARG HGx 1.0 . 5.00 844 748 A 16 TYR HE1 A 55 ARG HDx 1.0 . 3.40 845 748 A 16 TYR HE1 A 55 ARG HDy 1.0 . 3.40 846 749 A 17 ASP H A 18 VAL HGy% 1.0 . 5.28 847 749 A 17 ASP H A 18 VAL HGx% 1.0 . 5.28 848 750 A 17 ASP H A 55 ARG HDx 1.0 . 5.22 849 750 A 17 ASP H A 55 ARG HDy 1.0 . 5.22 850 751 A 17 ASP HBy A 18 VAL HGy% 1.0 . 4.54 851 751 A 17 ASP HBy A 18 VAL HGx% 1.0 . 4.54 852 752 A 18 VAL H A 18 VAL HGy% 1.0 . 2.98 853 752 A 18 VAL H A 18 VAL HGx% 1.0 . 2.98 854 753 A 18 VAL HA A 18 VAL HGy% 1.0 . 2.60 855 753 A 18 VAL HA A 18 VAL HGx% 1.0 . 2.60 856 754 A 19 GLU H A 18 VAL HGy% 1.0 . 2.84 857 754 A 19 GLU H A 18 VAL HGx% 1.0 . 2.84 858 755 A 19 GLU HBy A 18 VAL HGy% 1.0 . 4.36 859 755 A 19 GLU HBy A 18 VAL HGx% 1.0 . 4.36 860 756 A 19 GLU HBx A 18 VAL HGy% 1.0 . 4.17 861 756 A 19 GLU HBx A 18 VAL HGx% 1.0 . 4.17 862 757 A 20 CYS H A 19 GLU HGx 1.0 . 3.56 863 757 A 20 CYS H A 19 GLU HGy 1.0 . 3.56 864 758 A 53 VAL HG1% A 19 GLU HGx 1.0 . 3.58 865 758 A 53 VAL HG1% A 19 GLU HGy 1.0 . 3.58 866 759 A 20 CYS HBy A 24 GLU HB2 1.0 . 4.15 867 759 A 20 CYS HBy A 24 GLU HB3 1.0 . 4.15 868 760 A 21 ASP H A 24 GLU HB2 1.0 . 4.38 869 760 A 21 ASP H A 24 GLU HB3 1.0 . 4.38 870 761 A 22 SER H A 21 ASP HBy 1.0 . 3.40 871 761 A 22 SER H A 21 ASP HBx 1.0 . 3.40 872 762 A 24 GLU H A 24 GLU HB2 1.0 . 3.32 873 762 A 24 GLU H A 24 GLU HB3 1.0 . 3.32 874 763 A 24 GLU H A 24 GLU HGx 1.0 . 4.23 875 763 A 24 GLU H A 24 GLU HGy 1.0 . 4.23 876 764 A 24 GLU HA A 24 GLU HGx 1.0 . 3.25 877 764 A 24 GLU HA A 24 GLU HGy 1.0 . 3.25 878 765 A 26 CYS H A 25 CYS HBy 1.0 . 3.34 879 765 A 26 CYS H A 25 CYS HBx 1.0 . 3.34 880 766 A 38 LEU HD1% A 25 CYS HBy 1.0 . 3.46 881 766 A 38 LEU HD1% A 25 CYS HBx 1.0 . 3.46 882 767 A 39 ASP H A 25 CYS HBy 1.0 . 4.46 883 767 A 39 ASP H A 25 CYS HBx 1.0 . 4.46 884 768 A 27 GLN H A 27 GLN HBx 1.0 . 3.12 885 768 A 27 GLN H A 27 GLN HBy 1.0 . 3.12 886 769 A 27 GLN H A 27 GLN HG2 1.0 . 3.83 887 769 A 27 GLN H A 27 GLN HG3 1.0 . 3.83 888 770 A 27 GLN HA A 27 GLN HG2 1.0 . 3.24 889 770 A 27 GLN HG3 A 27 GLN HA 1.0 . 3.24 890 771 A 28 LYS HA A 27 GLN HBx 1.0 . 4.70 891 771 A 28 LYS HA A 27 GLN HBy 1.0 . 4.70 892 772 A 27 GLN HBy A 28 LYS HG2 1.0 . 3.62 893 772 A 27 GLN HBx A 28 LYS HG2 1.0 . 3.62 894 772 A 28 LYS HG3 A 27 GLN HBx 1.0 . 3.62 895 772 A 27 GLN HBy A 28 LYS HG3 1.0 . 3.62 896 773 A 27 GLN HBy A 28 LYS HEx 1.0 . 4.40 897 773 A 27 GLN HBx A 28 LYS HEx 1.0 . 4.40 898 773 A 28 LYS HEy A 27 GLN HBx 1.0 . 4.40 899 773 A 27 GLN HBy A 28 LYS HEy 1.0 . 4.40 900 774 A 28 LYS H A 27 GLN HG2 1.0 . 4.21 901 774 A 28 LYS H A 27 GLN HG3 1.0 . 4.21 902 775 A 28 LYS H A 28 LYS HG2 1.0 . 3.78 903 775 A 28 LYS H A 28 LYS HG3 1.0 . 3.78 904 776 A 28 LYS H A 28 LYS HDy 1.0 . 5.34 905 776 A 28 LYS H A 28 LYS HDx 1.0 . 5.34 906 777 A 28 LYS HA A 28 LYS HG2 1.0 . 3.07 907 777 A 28 LYS HA A 28 LYS HG3 1.0 . 3.07 908 778 A 28 LYS HA A 28 LYS HDy 1.0 . 4.12 909 778 A 28 LYS HA A 28 LYS HDx 1.0 . 4.12 910 779 A 28 LYS HBy A 28 LYS HDy 1.0 . 3.21 911 779 A 28 LYS HBy A 28 LYS HDx 1.0 . 3.21 912 780 A 28 LYS HBy A 28 LYS HEx 1.0 . 3.97 913 780 A 28 LYS HBy A 28 LYS HEy 1.0 . 3.97 914 781 A 28 LYS HBx A 28 LYS HEx 1.0 . 4.65 915 781 A 28 LYS HBx A 28 LYS HEy 1.0 . 4.65 916 782 A 28 LYS HEy A 28 LYS HG2 1.0 . 3.04 917 782 A 28 LYS HEx A 28 LYS HG2 1.0 . 3.04 918 782 A 28 LYS HG3 A 28 LYS HEx 1.0 . 3.04 919 782 A 28 LYS HG3 A 28 LYS HEy 1.0 . 3.04 920 783 A 29 GLN H A 28 LYS HG2 1.0 . 4.52 921 783 A 29 GLN H A 28 LYS HG3 1.0 . 4.52 922 784 A 37 PRO HA A 28 LYS HG2 1.0 . 3.61 923 784 A 37 PRO HA A 28 LYS HG3 1.0 . 3.61 924 785 A 37 PRO HBx A 28 LYS HG2 1.0 . 4.43 925 785 A 37 PRO HBx A 28 LYS HG3 1.0 . 4.43 926 786 A 35 TRP HBy A 28 LYS HDy 1.0 . 4.28 927 786 A 35 TRP HBy A 28 LYS HDx 1.0 . 4.28 928 787 A 35 TRP HBx A 28 LYS HDy 1.0 . 3.46 929 787 A 35 TRP HBx A 28 LYS HDx 1.0 . 3.46 930 788 A 35 TRP HE3 A 28 LYS HDy 1.0 . 5.25 931 788 A 35 TRP HE3 A 28 LYS HDx 1.0 . 5.25 932 789 A 29 GLN HA A 29 GLN HGx 1.0 . 3.22 933 789 A 29 GLN HA A 29 GLN HGy 1.0 . 3.22 934 790 A 29 GLN HBx A 31 LEU HD2% 1.0 . 3.60 935 790 A 29 GLN HBx A 31 LEU HD1% 1.0 . 3.60 936 791 A 29 GLN HE2y A 29 GLN HGy 1.0 . 3.16 937 791 A 29 GLN HE2y A 29 GLN HGx 1.0 . 3.16 938 791 A 29 GLN HE2x A 29 GLN HGy 1.0 . 3.16 939 791 A 29 GLN HE2x A 29 GLN HGx 1.0 . 3.16 940 792 A 31 LEU HG A 29 GLN HGx 1.0 . 3.53 941 792 A 31 LEU HG A 29 GLN HGy 1.0 . 3.53 942 793 A 38 LEU HD1% A 29 GLN HGx 1.0 . 4.20 943 793 A 38 LEU HD1% A 29 GLN HGy 1.0 . 4.20 944 794 A 29 GLN HE2x A 31 LEU HD2% 1.0 . 3.32 945 794 A 29 GLN HE2y A 31 LEU HD1% 1.0 . 3.32 946 794 A 29 GLN HE2x A 31 LEU HD1% 1.0 . 3.32 947 794 A 29 GLN HE2y A 31 LEU HD2% 1.0 . 3.32 948 795 A 31 LEU H A 31 LEU HD2% 1.0 . 3.94 949 795 A 31 LEU H A 31 LEU HD1% 1.0 . 3.94 950 796 A 31 LEU H A 36 ARG HGy 1.0 . 4.05 951 796 A 31 LEU H A 36 ARG HGx 1.0 . 4.05 952 797 A 31 LEU H A 36 ARG HDx 1.0 . 4.54 953 797 A 31 LEU H A 36 ARG HDy 1.0 . 4.54 954 798 A 31 LEU HA A 31 LEU HD2% 1.0 . 3.14 955 798 A 31 LEU HA A 31 LEU HD1% 1.0 . 3.14 956 799 A 31 LEU HBy A 31 LEU HD2% 1.0 . 3.03 957 799 A 31 LEU HBy A 31 LEU HD1% 1.0 . 3.03 958 800 A 31 LEU HBy A 36 ARG HDx 1.0 . 3.73 959 800 A 31 LEU HBy A 36 ARG HDy 1.0 . 3.73 960 801 A 31 LEU HBx A 36 ARG HDx 1.0 . 3.86 961 801 A 31 LEU HBx A 36 ARG HDy 1.0 . 3.86 962 802 A 31 LEU HG A 36 ARG HDx 1.0 . 4.93 963 802 A 31 LEU HG A 36 ARG HDy 1.0 . 4.93 964 803 A 32 TRP H A 31 LEU HD2% 1.0 . 3.83 965 803 A 32 TRP H A 31 LEU HD1% 1.0 . 3.83 966 804 A 36 ARG HBy A 31 LEU HD2% 1.0 . 4.08 967 804 A 36 ARG HBy A 31 LEU HD1% 1.0 . 4.08 968 805 A 36 ARG HBx A 31 LEU HD2% 1.0 . 4.60 969 805 A 36 ARG HBx A 31 LEU HD1% 1.0 . 4.60 970 806 A 31 LEU HD2% A 36 ARG HGy 1.0 . 4.11 971 806 A 31 LEU HD1% A 36 ARG HGy 1.0 . 4.11 972 806 A 36 ARG HGx A 31 LEU HD2% 1.0 . 4.11 973 806 A 31 LEU HD1% A 36 ARG HGx 1.0 . 4.11 974 807 A 31 LEU HD2% A 36 ARG HDx 1.0 . 3.24 975 807 A 31 LEU HD1% A 36 ARG HDx 1.0 . 3.24 976 807 A 36 ARG HDy A 31 LEU HD2% 1.0 . 3.24 977 807 A 31 LEU HD1% A 36 ARG HDy 1.0 . 3.24 978 808 A 37 PRO HDy A 31 LEU HD2% 1.0 . 5.44 979 808 A 37 PRO HDy A 31 LEU HD1% 1.0 . 5.44 980 809 A 38 LEU HD2% A 31 LEU HD2% 1.0 . 3.17 981 809 A 38 LEU HD2% A 31 LEU HD1% 1.0 . 3.17 982 810 A 56 ASP HA A 31 LEU HD2% 1.0 . 4.55 983 810 A 56 ASP HA A 31 LEU HD1% 1.0 . 4.55 984 811 A 31 LEU HD1% A 56 ASP HBx 1.0 . 3.45 985 811 A 31 LEU HD2% A 56 ASP HBx 1.0 . 3.45 986 811 A 56 ASP HBy A 31 LEU HD2% 1.0 . 3.45 987 811 A 31 LEU HD1% A 56 ASP HBy 1.0 . 3.45 988 812 A 31 LEU HD1% A 56 ASP HBx 1.0 . 5.87 989 813 A 56 ASP HBy A 31 LEU HD2% 1.0 . 5.87 990 814 A 32 TRP HD1 A 32 TRP HBx 1.0 . 3.33 991 814 A 32 TRP HD1 A 32 TRP HBy 1.0 . 3.33 992 815 A 32 TRP HE3 A 32 TRP HBx 1.0 . 3.32 993 815 A 32 TRP HE3 A 32 TRP HBy 1.0 . 3.32 994 816 A 33 TYR H A 33 TYR HBy 1.0 . 3.52 995 816 A 33 TYR H A 33 TYR HBx 1.0 . 3.52 996 817 A 33 TYR HD1 A 33 TYR HBy 1.0 . 3.21 997 817 A 33 TYR HD1 A 33 TYR HBx 1.0 . 3.21 998 818 A 33 TYR HE1 A 33 TYR HBy 1.0 . 4.56 999 818 A 33 TYR HBx A 33 TYR HE1 1.0 . 4.56 1000 819 A 34 LYS H A 34 LYS HBx 1.0 . 3.12 1001 819 A 34 LYS H A 34 LYS HBy 1.0 . 3.12 1002 820 A 34 LYS H A 34 LYS HG2 1.0 . 4.40 1003 820 A 34 LYS H A 34 LYS HG3 1.0 . 4.40 1004 821 A 34 LYS H A 34 LYS HE2 1.0 . 5.34 1005 821 A 34 LYS H A 34 LYS HE3 1.0 . 5.34 1006 822 A 34 LYS HA A 34 LYS HG2 1.0 . 3.23 1007 822 A 34 LYS HA A 34 LYS HG3 1.0 . 3.23 1008 823 A 34 LYS HA A 34 LYS HD2 1.0 . 4.91 1009 823 A 34 LYS HA A 34 LYS HD3 1.0 . 4.91 1010 824 A 34 LYS HBy A 34 LYS HE2 1.0 . 5.18 1011 824 A 34 LYS HBx A 34 LYS HE2 1.0 . 5.18 1012 824 A 34 LYS HE3 A 34 LYS HBx 1.0 . 5.18 1013 824 A 34 LYS HBy A 34 LYS HE3 1.0 . 5.18 1014 825 A 35 TRP H A 34 LYS HBx 1.0 . 3.32 1015 825 A 35 TRP H A 34 LYS HBy 1.0 . 3.32 1016 826 A 36 ARG HE A 34 LYS HBx 1.0 . 3.96 1017 826 A 36 ARG HE A 34 LYS HBy 1.0 . 3.96 1018 827 A 35 TRP H A 34 LYS HG2 1.0 . 3.81 1019 827 A 35 TRP H A 34 LYS HG3 1.0 . 3.81 1020 828 A 35 TRP HA A 36 ARG HGy 1.0 . 3.91 1021 828 A 35 TRP HA A 36 ARG HGx 1.0 . 3.91 1022 829 A 36 ARG H A 36 ARG HGy 1.0 . 3.47 1023 829 A 36 ARG H A 36 ARG HGx 1.0 . 3.47 1024 830 A 36 ARG H A 36 ARG HDx 1.0 . 4.64 1025 830 A 36 ARG H A 36 ARG HDy 1.0 . 4.64 1026 831 A 36 ARG HA A 36 ARG HGy 1.0 . 3.37 1027 831 A 36 ARG HA A 36 ARG HGx 1.0 . 3.37 1028 832 A 36 ARG HBy A 56 ASP HBx 1.0 . 4.18 1029 832 A 36 ARG HBy A 56 ASP HBy 1.0 . 4.18 1030 833 A 36 ARG HBx A 56 ASP HBx 1.0 . 5.18 1031 833 A 36 ARG HBx A 56 ASP HBy 1.0 . 5.18 1032 834 A 36 ARG HE A 36 ARG HGy 1.0 . 3.68 1033 834 A 36 ARG HE A 36 ARG HGx 1.0 . 3.68 1034 835 A 38 LEU HA A 39 ASP HBx 1.0 . 4.62 1035 835 A 38 LEU HA A 39 ASP HBy 1.0 . 4.62 1036 836 A 38 LEU HD2% A 56 ASP HBx 1.0 . 3.73 1037 836 A 38 LEU HD2% A 56 ASP HBy 1.0 . 3.73 1038 837 A 39 ASP H A 39 ASP HBx 1.0 . 3.36 1039 837 A 39 ASP H A 39 ASP HBy 1.0 . 3.36 1040 838 A 55 ARG H A 39 ASP HBx 1.0 . 4.54 1041 838 A 55 ARG H A 39 ASP HBy 1.0 . 4.54 1042 839 A 57 VAL HGx% A 39 ASP HBx 1.0 . 3.13 1043 839 A 57 VAL HGx% A 39 ASP HBy 1.0 . 3.13 1044 840 A 40 CYS H A 40 CYS HBx 1.0 . 2.94 1045 840 A 40 CYS H A 40 CYS HBy 1.0 . 2.94 1046 841 A 41 ARG H A 40 CYS HBx 1.0 . 3.99 1047 841 A 41 ARG H A 40 CYS HBy 1.0 . 3.99 1048 842 A 41 ARG H A 41 ARG HBy 1.0 . 3.25 1049 842 A 41 ARG H A 41 ARG HBx 1.0 . 3.25 1050 843 A 41 ARG H A 41 ARG HDx 1.0 . 4.65 1051 843 A 41 ARG H A 41 ARG HDy 1.0 . 4.65 1052 844 A 41 ARG H A 55 ARG HGy 1.0 . 5.02 1053 844 A 41 ARG H A 55 ARG HGx 1.0 . 5.02 1054 845 A 41 ARG HA A 41 ARG HGy 1.0 . 3.71 1055 845 A 41 ARG HA A 41 ARG HGx 1.0 . 3.71 1056 846 A 41 ARG HA A 41 ARG HDx 1.0 . 3.34 1057 846 A 41 ARG HA A 41 ARG HDy 1.0 . 3.34 1058 847 A 42 CYS H A 41 ARG HBy 1.0 . 3.52 1059 847 A 42 CYS H A 41 ARG HBx 1.0 . 3.52 1060 848 A 41 ARG HBy A 43 LEU HDy% 1.0 . 4.11 1061 848 A 43 LEU HDx% A 41 ARG HBy 1.0 . 4.11 1062 848 A 41 ARG HBx A 43 LEU HDx% 1.0 . 4.11 1063 848 A 41 ARG HBx A 43 LEU HDy% 1.0 . 4.11 1064 849 A 41 ARG HBx A 55 ARG HGy 1.0 . 5.18 1065 849 A 41 ARG HBy A 55 ARG HGy 1.0 . 5.18 1066 849 A 55 ARG HGx A 41 ARG HBy 1.0 . 5.18 1067 849 A 55 ARG HGx A 41 ARG HBx 1.0 . 5.18 1068 850 A 42 CYS H A 41 ARG HGy 1.0 . 4.35 1069 850 A 42 CYS H A 41 ARG HGx 1.0 . 4.35 1070 851 A 41 ARG HGx A 43 LEU HDy% 1.0 . 4.04 1071 851 A 41 ARG HGy A 43 LEU HDy% 1.0 . 4.04 1072 851 A 43 LEU HDx% A 41 ARG HGy 1.0 . 4.04 1073 851 A 41 ARG HGx A 43 LEU HDx% 1.0 . 4.04 1074 852 A 42 CYS H A 41 ARG HDx 1.0 . 3.80 1075 852 A 42 CYS H A 41 ARG HDy 1.0 . 3.80 1076 853 A 41 ARG HDy A 43 LEU HDy% 1.0 . 4.00 1077 853 A 41 ARG HDx A 43 LEU HDy% 1.0 . 4.00 1078 853 A 43 LEU HDx% A 41 ARG HDx 1.0 . 4.00 1079 853 A 41 ARG HDy A 43 LEU HDx% 1.0 . 4.00 1080 854 A 42 CYS HA A 43 LEU HDy% 1.0 . 4.40 1081 854 A 42 CYS HA A 43 LEU HDx% 1.0 . 4.40 1082 855 A 42 CYS HBx A 50 SER HBx 1.0 . 4.38 1083 855 A 42 CYS HBx A 50 SER HBy 1.0 . 4.38 1084 856 A 43 LEU H A 43 LEU HBy 1.0 . 3.36 1085 856 A 43 LEU H A 43 LEU HBx 1.0 . 3.36 1086 857 A 43 LEU H A 43 LEU HDy% 1.0 . 3.78 1087 857 A 43 LEU H A 43 LEU HDx% 1.0 . 3.78 1088 858 A 43 LEU H A 50 SER HBx 1.0 . 4.36 1089 858 A 43 LEU H A 50 SER HBy 1.0 . 4.36 1090 859 A 43 LEU HA A 43 LEU HDy% 1.0 . 3.50 1091 859 A 43 LEU HA A 43 LEU HDx% 1.0 . 3.50 1092 860 A 43 LEU HA A 44 LYS HGx 1.0 . 5.34 1093 860 A 43 LEU HA A 44 LYS HGy 1.0 . 5.34 1094 861 A 43 LEU HA A 50 SER HBx 1.0 . 4.29 1095 861 A 43 LEU HA A 50 SER HBy 1.0 . 4.29 1096 862 A 44 LYS H A 43 LEU HBy 1.0 . 4.05 1097 862 A 44 LYS H A 43 LEU HBx 1.0 . 4.05 1098 863 A 44 LYS H A 43 LEU HDy% 1.0 . 3.99 1099 863 A 44 LYS H A 43 LEU HDx% 1.0 . 3.99 1100 864 A 44 LYS HA A 43 LEU HDy% 1.0 . 4.20 1101 864 A 44 LYS HA A 43 LEU HDx% 1.0 . 4.20 1102 865 A 45 SER H A 43 LEU HDy% 1.0 . 5.44 1103 865 A 45 SER H A 43 LEU HDx% 1.0 . 5.44 1104 866 A 53 VAL H A 43 LEU HDy% 1.0 . 4.77 1105 866 A 53 VAL H A 43 LEU HDx% 1.0 . 4.77 1106 867 A 44 LYS H A 44 LYS HBx 1.0 . 3.17 1107 867 A 44 LYS H A 44 LYS HBy 1.0 . 3.17 1108 868 A 44 LYS H A 44 LYS HGx 1.0 . 3.89 1109 868 A 44 LYS H A 44 LYS HGy 1.0 . 3.89 1110 869 A 44 LYS H A 44 LYS HE2 1.0 . 5.34 1111 869 A 44 LYS H A 44 LYS HE3 1.0 . 5.34 1112 870 A 44 LYS HA A 50 SER HBx 1.0 . 3.97 1113 870 A 44 LYS HA A 50 SER HBy 1.0 . 3.97 1114 871 A 44 LYS HBx A 44 LYS HE2 1.0 . 5.18 1115 871 A 44 LYS HBy A 44 LYS HE2 1.0 . 5.18 1116 871 A 44 LYS HE3 A 44 LYS HBx 1.0 . 5.18 1117 871 A 44 LYS HBy A 44 LYS HE3 1.0 . 5.18 1118 872 A 45 SER H A 44 LYS HBx 1.0 . 3.61 1119 872 A 45 SER H A 44 LYS HBy 1.0 . 3.61 1120 873 A 50 SER HA A 44 LYS HBx 1.0 . 4.36 1121 873 A 50 SER HA A 44 LYS HBy 1.0 . 4.36 1122 874 A 45 SER H A 44 LYS HDx 1.0 . 4.55 1123 874 A 45 SER H A 44 LYS HDy 1.0 . 4.55 1124 875 A 45 SER H A 45 SER HBx 1.0 . 3.42 1125 875 A 45 SER H A 45 SER HBy 1.0 . 3.42 1126 876 A 46 GLY H A 45 SER HBx 1.0 . 4.05 1127 876 A 46 GLY H A 45 SER HBy 1.0 . 4.05 1128 877 A 47 PHE H A 46 GLY HAy 1.0 . 2.96 1129 877 A 47 PHE H A 46 GLY HAx 1.0 . 2.96 1130 878 A 47 PHE H A 47 PHE HBy 1.0 . 3.08 1131 878 A 47 PHE H A 47 PHE HBx 1.0 . 3.08 1132 879 A 48 PHE H A 47 PHE HBy 1.0 . 3.43 1133 879 A 48 PHE H A 47 PHE HBx 1.0 . 3.43 1134 880 A 49 SER H A 47 PHE HBy 1.0 . 4.99 1135 880 A 49 SER H A 47 PHE HBx 1.0 . 4.99 1136 881 A 48 PHE H A 48 PHE HBy 1.0 . 3.03 1137 881 A 48 PHE H A 48 PHE HBx 1.0 . 3.03 1138 882 A 49 SER H A 48 PHE HBy 1.0 . 3.55 1139 882 A 49 SER H A 48 PHE HBx 1.0 . 3.55 1140 883 A 49 SER H A 49 SER HBy 1.0 . 3.07 1141 883 A 49 SER H A 49 SER HBx 1.0 . 3.07 1142 884 A 51 LYS H A 51 LYS HBx 1.0 . 3.52 1143 884 A 51 LYS H A 51 LYS HBy 1.0 . 3.52 1144 885 A 51 LYS H A 51 LYS HD2 1.0 . 5.04 1145 885 A 51 LYS H A 51 LYS HD3 1.0 . 5.04 1146 886 A 51 LYS H A 51 LYS HE2 1.0 . 5.34 1147 886 A 51 LYS H A 51 LYS HE3 1.0 . 5.34 1148 887 A 51 LYS HA A 51 LYS HD2 1.0 . 5.34 1149 887 A 51 LYS HA A 51 LYS HD3 1.0 . 5.34 1150 888 A 53 VAL HG1% A 51 LYS HBx 1.0 . 3.70 1151 888 A 53 VAL HG1% A 51 LYS HBy 1.0 . 3.70 1152 889 A 51 LYS HE3 A 51 LYS HGx 1.0 . 3.25 1153 889 A 51 LYS HE2 A 51 LYS HGx 1.0 . 3.25 1154 889 A 51 LYS HGy A 51 LYS HE2 1.0 . 3.25 1155 889 A 51 LYS HE3 A 51 LYS HGy 1.0 . 3.25 1156 890 A 52 CYS H A 51 LYS HGx 1.0 . 3.70 1157 890 A 52 CYS H A 51 LYS HGy 1.0 . 3.70 1158 891 A 52 CYS H A 51 LYS HD2 1.0 . 5.10 1159 891 A 52 CYS H A 51 LYS HD3 1.0 . 5.10 1160 892 A 53 VAL HG1% A 51 LYS HD2 1.0 . 4.10 1161 892 A 53 VAL HG1% A 51 LYS HD3 1.0 . 4.10 1162 893 A 53 VAL HG1% A 51 LYS HE2 1.0 . 4.08 1163 893 A 53 VAL HG1% A 51 LYS HE3 1.0 . 4.08 1164 894 A 53 VAL H A 55 ARG HGy 1.0 . 4.38 1165 894 A 53 VAL H A 55 ARG HGx 1.0 . 4.38 1166 895 A 53 VAL HG2% A 55 ARG HGy 1.0 . 3.65 1167 895 A 53 VAL HG2% A 55 ARG HGx 1.0 . 3.65 1168 896 A 53 VAL HG2% A 55 ARG HDx 1.0 . 3.56 1169 896 A 53 VAL HG2% A 55 ARG HDy 1.0 . 3.56 1170 897 A 55 ARG H A 55 ARG HDx 1.0 . 4.35 1171 897 A 55 ARG H A 55 ARG HDy 1.0 . 4.35 1172 898 A 55 ARG HA A 55 ARG HDx 1.0 . 3.12 1173 898 A 55 ARG HA A 55 ARG HDy 1.0 . 3.12 1174 899 A 55 ARG HBx A 55 ARG HDx 1.0 . 3.38 1175 899 A 55 ARG HBx A 55 ARG HDy 1.0 . 3.38 1176 900 A 56 ASP H A 55 ARG HDx 1.0 . 3.46 1177 900 A 56 ASP H A 55 ARG HDy 1.0 . 3.46 1178 901 A 56 ASP H A 56 ASP HBx 1.0 . 3.17 1179 901 A 56 ASP H A 56 ASP HBy 1.0 . 3.17 1180 902 A 57 VAL H A 56 ASP HBx 1.0 . 3.34 1181 902 A 57 VAL H A 56 ASP HBy 1.0 . 3.34 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _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 1 SER C A 2 ALA N A 2 ALA CA A 2 ALA C 1.0 -118.0 -34.0 PHI 2 2 A 2 ALA N A 2 ALA CA A 2 ALA C A 3 LYS N 1.0 117.0 177.0 PSI 3 3 A 3 LYS C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -83.0 -35.0 PHI 4 4 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 GLY N 1.0 116.0 156.0 PSI 5 5 A 4 ASP C A 5 GLY N A 5 GLY CA A 5 GLY C 1.0 72.0 116.0 PHI 6 6 A 5 GLY N A 5 GLY CA A 5 GLY C A 6 ASP N 1.0 -41.0 19.0 PSI 7 7 A 6 ASP C A 7 VAL N A 7 VAL CA A 7 VAL C 1.0 -158.0 -106.0 PHI 8 8 A 7 VAL N A 7 VAL CA A 7 VAL C A 8 GLU N 1.0 120.0 200.0 PSI 9 9 A 7 VAL C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -182.0 -94.0 PHI 10 10 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 GLY N 1.0 110.0 166.0 PSI 11 11 A 10 PRO N A 10 PRO CA A 10 PRO C A 11 ALA N 1.0 133.0 173.0 PSI 12 12 A 10 PRO C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -77.0 -41.0 PHI 13 13 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 GLY N 1.0 123.0 147.0 PSI 14 14 A 11 ALA C A 12 GLY N A 12 GLY CA A 12 GLY C 1.0 69.0 113.0 PHI 15 15 A 12 GLY N A 12 GLY CA A 12 GLY C A 13 CYS N 1.0 -32.0 16.0 PSI 16 16 A 12 GLY C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -100.0 -64.0 PHI 17 17 A 13 CYS N A 13 CYS CA A 13 CYS C A 14 LYS N 1.0 45.0 205.0 PSI 18 18 A 14 LYS C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -196.0 -56.0 PHI 19 19 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 TYR N 1.0 140.0 176.0 PSI 20 20 A 18 VAL C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -114.0 -62.0 PHI 21 21 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 CYS N 1.0 84.0 176.0 PSI 22 22 A 19 GLU C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -182.0 -106.0 PHI 23 23 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 ASP N 1.0 148.0 176.0 PSI 24 24 A 20 CYS C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -173.0 -33.0 PHI 25 25 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 SER N 1.0 144.0 184.0 PSI 26 26 A 22 SER C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 44.0 116.0 PHI 27 27 A 23 GLY N A 23 GLY CA A 23 GLY C A 24 GLU N 1.0 -51.0 69.0 PSI 28 28 A 23 GLY C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -97.0 -61.0 PHI 29 29 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 CYS N 1.0 128.0 168.0 PSI 30 30 A 24 GLU C A 25 CYS N A 25 CYS CA A 25 CYS C 1.0 -106.0 -42.0 PHI 31 31 A 25 CYS N A 25 CYS CA A 25 CYS C A 26 CYS N 1.0 103.0 171.0 PSI 32 32 A 26 CYS C A 27 GLN N A 27 GLN CA A 27 GLN C 1.0 -95.0 -55.0 PHI 33 33 A 27 GLN N A 27 GLN CA A 27 GLN C A 28 LYS N 1.0 -65.0 -5.0 PSI 34 34 A 27 GLN C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -170.0 -114.0 PHI 35 35 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 GLN N 1.0 138.0 170.0 PSI 36 36 A 28 LYS C A 29 GLN N A 29 GLN CA A 29 GLN C 1.0 -165.0 -81.0 PHI 37 37 A 29 GLN N A 29 GLN CA A 29 GLN C A 30 TYR N 1.0 92.0 160.0 PSI 38 38 A 29 GLN C A 30 TYR N A 30 TYR CA A 30 TYR C 1.0 -122.0 -62.0 PHI 39 39 A 30 TYR N A 30 TYR CA A 30 TYR C A 31 LEU N 1.0 90.0 154.0 PSI 40 40 A 30 TYR C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -156.0 -64.0 PHI 41 41 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 TRP N 1.0 103.0 155.0 PSI 42 42 A 31 LEU C A 32 TRP N A 32 TRP CA A 32 TRP C 1.0 45.0 61.0 PHI 43 43 A 32 TRP N A 32 TRP CA A 32 TRP C A 33 TYR N 1.0 35.0 51.0 PSI 44 44 A 32 TRP C A 33 TYR N A 33 TYR CA A 33 TYR C 1.0 46.0 86.0 PHI 45 45 A 33 TYR N A 33 TYR CA A 33 TYR C A 34 LYS N 1.0 -10.0 46.0 PSI 46 46 A 33 TYR C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -159.0 -87.0 PHI 47 47 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 TRP N 1.0 124.0 172.0 PSI 48 48 A 34 LYS C A 35 TRP N A 35 TRP CA A 35 TRP C 1.0 -134.0 -66.0 PHI 49 49 A 35 TRP N A 35 TRP CA A 35 TRP C A 36 ARG N 1.0 107.0 143.0 PSI 50 50 A 35 TRP C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -139.0 -43.0 PHI 51 51 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 PRO N 1.0 103.0 163.0 PSI 52 52 A 37 PRO N A 37 PRO CA A 37 PRO C A 38 LEU N 1.0 127.0 175.0 PSI 53 53 A 37 PRO C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -174.0 -66.0 PHI 54 54 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 ASP N 1.0 146.0 174.0 PSI 55 55 A 38 LEU C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -167.0 -119.0 PHI 56 56 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 CYS N 1.0 122.0 170.0 PSI 57 57 A 39 ASP C A 40 CYS N A 40 CYS CA A 40 CYS C 1.0 -109.0 -61.0 PHI 58 58 A 40 CYS N A 40 CYS CA A 40 CYS C A 41 ARG N 1.0 84.0 156.0 PSI 59 59 A 40 CYS C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -142.0 -90.0 PHI 60 60 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 CYS N 1.0 108.0 156.0 PSI 61 61 A 41 ARG C A 42 CYS N A 42 CYS CA A 42 CYS C 1.0 -145.0 -61.0 PHI 62 62 A 42 CYS N A 42 CYS CA A 42 CYS C A 43 LEU N 1.0 95.0 171.0 PSI 63 63 A 42 CYS C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -145.0 -49.0 PHI 64 64 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 LYS N 1.0 108.0 160.0 PSI 65 65 A 43 LEU C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -148.0 -36.0 PHI 66 66 A 44 LYS N A 44 LYS CA A 44 LYS C A 45 SER N 1.0 78.0 182.0 PSI 67 67 A 44 LYS C A 45 SER N A 45 SER CA A 45 SER C 1.0 -122.0 -34.0 PHI 68 68 A 45 SER N A 45 SER CA A 45 SER C A 46 GLY N 1.0 85.0 181.0 PSI 69 69 A 45 SER C A 46 GLY N A 46 GLY CA A 46 GLY C 1.0 54.0 118.0 PHI 70 70 A 46 GLY N A 46 GLY CA A 46 GLY C A 47 PHE N 1.0 -42.0 38.0 PSI 71 71 A 46 GLY C A 47 PHE N A 47 PHE CA A 47 PHE C 1.0 -95.0 -63.0 PHI 72 72 A 47 PHE N A 47 PHE CA A 47 PHE C A 48 PHE N 1.0 61.0 201.0 PSI 73 73 A 47 PHE C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -129.0 -37.0 PHI 74 74 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 SER N 1.0 -57.0 15.0 PSI 75 75 A 48 PHE C A 49 SER N A 49 SER CA A 49 SER C 1.0 -164.0 -24.0 PHI 76 76 A 49 SER N A 49 SER CA A 49 SER C A 50 SER N 1.0 99.0 191.0 PSI 77 77 A 49 SER C A 50 SER N A 50 SER CA A 50 SER C 1.0 -151.0 -35.0 PHI 78 78 A 50 SER N A 50 SER CA A 50 SER C A 51 LYS N 1.0 108.0 184.0 PSI 79 79 A 50 SER C A 51 LYS N A 51 LYS CA A 51 LYS C 1.0 -144.0 -88.0 PHI 80 80 A 51 LYS N A 51 LYS CA A 51 LYS C A 52 CYS N 1.0 91.0 151.0 PSI 81 81 A 51 LYS C A 52 CYS N A 52 CYS CA A 52 CYS C 1.0 -135.0 -87.0 PHI 82 82 A 52 CYS N A 52 CYS CA A 52 CYS C A 53 VAL N 1.0 125.0 165.0 PSI 83 83 A 52 CYS C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -145.0 -125.0 PHI 84 84 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 CYS N 1.0 126.0 178.0 PSI 85 85 A 53 VAL C A 54 CYS N A 54 CYS CA A 54 CYS C 1.0 -167.0 -43.0 PHI 86 86 A 54 CYS N A 54 CYS CA A 54 CYS C A 55 ARG N 1.0 83.0 183.0 PSI 87 87 A 54 CYS C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -165.0 -81.0 PHI 88 88 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 ASP N 1.0 133.0 197.0 PSI 89 89 A 55 ARG C A 56 ASP N A 56 ASP CA A 56 ASP C 1.0 -103.0 -67.0 PHI 90 90 A 56 ASP N A 56 ASP CA A 56 ASP C A 57 VAL N 1.0 97.0 165.0 PSI stop_ save_