data_nef_c18705_2lxz save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 3 CYS SG 1 31 CYS SG 1 5 CYS SG 1 20 CYS SG 1 10 CYS SG 1 30 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 ALA start . . 2 A 2 THR middle . . 3 A 3 CYS middle -HG . 4 A 4 TYR middle . . 5 A 5 CYS middle -HG . 6 A 6 ARG middle . . 7 A 7 THR middle . . 8 A 8 GLY middle . false 9 A 9 ARG middle . . 10 A 10 CYS middle -HG . 11 A 11 ALA middle . . 12 A 12 THR middle . . 13 A 13 ARG middle . . 14 A 14 GLU middle . . 15 A 15 SER middle . . 16 A 16 LEU middle . . 17 A 17 SER middle . . 18 A 18 GLY middle . false 19 A 19 VAL middle . . 20 A 20 CYS middle -HG . 21 A 21 GLU middle . . 22 A 22 ILE middle . . 23 A 23 SER middle . . 24 A 24 GLY middle . false 25 A 25 ARG middle . . 26 A 26 LEU middle . . 27 A 27 TYR middle . . 28 A 28 ARG middle . . 29 A 29 LEU middle . . 30 A 30 CYS middle -HG . 31 A 31 CYS middle -HG . 32 A 32 ARG 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 ALA HA H 1 4.326 0.020 A 1 ALA HB% H 1 1.513 0.020 A 1 ALA CA C 13 51.896 0.300 A 1 ALA CB C 13 19.720 0.300 A 2 THR H H 1 8.979 0.020 A 2 THR HA H 1 4.398 0.020 A 2 THR HB H 1 4.030 0.020 A 2 THR HG2% H 1 1.140 0.020 A 2 THR CA C 13 62.489 0.300 A 2 THR CB C 13 70.031 0.300 A 2 THR CG2 C 13 21.341 0.300 A 2 THR N N 15 118.310 0.300 A 3 CYS H H 1 8.541 0.020 A 3 CYS HA H 1 5.653 0.020 A 3 CYS HB2 H 1 2.600 0.020 A 3 CYS HB3 H 1 3.090 0.020 A 3 CYS C C 13 172.018 0.300 A 3 CYS CA C 13 55.069 0.300 A 3 CYS CB C 13 49.718 0.300 A 3 CYS N N 15 123.108 0.300 A 4 TYR HA H 1 4.609 0.020 A 4 TYR HB2 H 1 2.552 0.020 A 4 TYR HB3 H 1 3.008 0.020 A 4 TYR HD1 H 1 7.148 0.020 A 4 TYR HD2 H 1 7.148 0.020 A 4 TYR HE1 H 1 6.719 0.020 A 4 TYR HE2 H 1 6.719 0.020 A 4 TYR CA C 13 56.618 0.300 A 4 TYR CB C 13 42.182 0.300 A 5 CYS H H 1 9.195 0.020 A 5 CYS HA H 1 4.612 0.020 A 5 CYS HB2 H 1 2.551 0.020 A 5 CYS HB3 H 1 3.004 0.020 A 5 CYS CA C 13 56.553 0.300 A 5 CYS CB C 13 42.208 0.300 A 5 CYS N N 15 119.803 0.300 A 6 ARG H H 1 8.999 0.020 A 6 ARG HA H 1 5.333 0.020 A 6 ARG HB2 H 1 2.863 0.020 A 6 ARG HB3 H 1 2.863 0.020 A 6 ARG HD2 H 1 2.712 0.020 A 6 ARG HD3 H 1 2.712 0.020 A 6 ARG HG2 H 1 0.501 0.020 A 6 ARG HG3 H 1 0.501 0.020 A 6 ARG CA C 13 55.045 0.300 A 6 ARG CB C 13 40.925 0.300 A 6 ARG CD C 13 40.966 0.300 A 6 ARG CG C 13 13.031 0.300 A 6 ARG N N 15 123.484 0.300 A 7 THR H H 1 9.531 0.020 A 7 THR HA H 1 4.917 0.020 A 7 THR HB H 1 4.867 0.020 A 7 THR HG2% H 1 1.798 0.020 A 7 THR CA C 13 62.395 0.300 A 7 THR CB C 13 71.434 0.300 A 7 THR CG2 C 13 32.493 0.300 A 7 THR N N 15 126.371 0.300 A 8 GLY H H 1 8.004 0.020 A 8 GLY HA2 H 1 3.860 0.020 A 8 GLY HA3 H 1 4.239 0.020 A 8 GLY C C 13 172.685 0.300 A 8 GLY CA C 13 44.809 0.300 A 8 GLY N N 15 112.530 0.300 A 9 ARG H H 1 8.183 0.020 A 9 ARG HA H 1 4.283 0.020 A 9 ARG HB2 H 1 1.987 0.020 A 9 ARG HB3 H 1 1.987 0.020 A 9 ARG HD2 H 1 3.346 0.020 A 9 ARG HD3 H 1 3.346 0.020 A 9 ARG HG2 H 1 1.789 0.020 A 9 ARG HG3 H 1 1.789 0.020 A 9 ARG C C 13 176.627 0.300 A 9 ARG CA C 13 55.748 0.300 A 9 ARG CB C 13 31.418 0.300 A 9 ARG CD C 13 43.461 0.300 A 9 ARG CG C 13 31.374 0.300 A 9 ARG N N 15 119.486 0.300 A 10 CYS H H 1 8.595 0.020 A 10 CYS HA H 1 4.874 0.020 A 10 CYS HB2 H 1 2.788 0.020 A 10 CYS HB3 H 1 3.543 0.020 A 10 CYS C C 13 174.788 0.300 A 10 CYS CA C 13 52.737 0.300 A 10 CYS CB C 13 35.343 0.300 A 10 CYS N N 15 116.919 0.300 A 11 ALA H H 1 8.590 0.020 A 11 ALA HA H 1 4.433 0.020 A 11 ALA HB% H 1 1.331 0.020 A 11 ALA C C 13 177.552 0.300 A 11 ALA CA C 13 51.381 0.300 A 11 ALA CB C 13 19.400 0.300 A 11 ALA N N 15 124.805 0.300 A 12 THR H H 1 8.238 0.020 A 12 THR HA H 1 4.002 0.020 A 12 THR HB H 1 4.107 0.020 A 12 THR HG2% H 1 1.330 0.020 A 12 THR C C 13 174.815 0.300 A 12 THR CA C 13 65.118 0.300 A 12 THR CB C 13 68.792 0.300 A 12 THR CG2 C 13 21.930 0.300 A 12 THR N N 15 114.885 0.300 A 13 ARG H H 1 8.518 0.020 A 13 ARG HA H 1 4.148 0.020 A 13 ARG HB3 H 1 2.089 0.020 A 13 ARG HD3 H 1 3.244 0.020 A 13 ARG HG3 H 1 1.682 0.020 A 13 ARG C C 13 175.566 0.300 A 13 ARG CA C 13 57.592 0.300 A 13 ARG CB C 13 28.486 0.300 A 13 ARG CD C 13 43.463 0.300 A 13 ARG CG C 13 28.065 0.300 A 13 ARG N N 15 116.842 0.300 A 14 GLU H H 1 7.855 0.020 A 14 GLU HA H 1 4.686 0.020 A 14 GLU HB2 H 1 1.697 0.020 A 14 GLU HB3 H 1 1.697 0.020 A 14 GLU HG2 H 1 2.438 0.020 A 14 GLU HG3 H 1 2.438 0.020 A 14 GLU C C 13 176.183 0.300 A 14 GLU CA C 13 54.645 0.300 A 14 GLU CB C 13 32.073 0.300 A 14 GLU CG C 13 32.225 0.300 A 14 GLU N N 15 117.264 0.300 A 15 SER H H 1 9.273 0.020 A 15 SER HA H 1 4.807 0.020 A 15 SER HB2 H 1 3.741 0.020 A 15 SER HB3 H 1 3.808 0.020 A 15 SER C C 13 174.427 0.300 A 15 SER CA C 13 56.875 0.300 A 15 SER CB C 13 65.036 0.300 A 15 SER N N 15 114.972 0.300 A 16 LEU H H 1 9.076 0.020 A 16 LEU HA H 1 4.791 0.020 A 16 LEU HB2 H 1 2.005 0.020 A 16 LEU HB3 H 1 2.005 0.020 A 16 LEU HD1% H 1 1.203 0.020 A 16 LEU HD2% H 1 1.051 0.020 A 16 LEU HG H 1 1.631 0.020 A 16 LEU C C 13 177.525 0.300 A 16 LEU CA C 13 56.384 0.300 A 16 LEU CB C 13 41.437 0.300 A 16 LEU CD1 C 13 24.384 0.300 A 16 LEU CD2 C 13 21.600 0.300 A 16 LEU CG C 13 41.331 0.300 A 16 LEU N N 15 129.724 0.300 A 17 SER H H 1 9.387 0.020 A 17 SER HA H 1 4.877 0.020 A 17 SER HB2 H 1 3.502 0.020 A 17 SER HB3 H 1 3.984 0.020 A 17 SER CA C 13 58.092 0.300 A 17 SER CB C 13 65.350 0.300 A 17 SER N N 15 123.451 0.300 A 18 GLY H H 1 7.608 0.020 A 18 GLY HA2 H 1 4.077 0.020 A 18 GLY HA3 H 1 4.532 0.020 A 18 GLY CA C 13 44.935 0.300 A 18 GLY N N 15 107.233 0.300 A 19 VAL H H 1 8.692 0.020 A 19 VAL HA H 1 5.065 0.020 A 19 VAL HB H 1 2.204 0.020 A 19 VAL HG1% H 1 1.068 0.020 A 19 VAL HG2% H 1 0.955 0.020 A 19 VAL CA C 13 60.314 0.300 A 19 VAL CB C 13 35.289 0.300 A 19 VAL CG1 C 13 25.633 0.300 A 19 VAL CG2 C 13 19.388 0.300 A 19 VAL N N 15 118.833 0.300 A 20 CYS H H 1 8.133 0.020 A 20 CYS HA H 1 4.892 0.020 A 20 CYS HB2 H 1 1.409 0.020 A 20 CYS HB3 H 1 1.661 0.020 A 20 CYS C C 13 176.328 0.300 A 20 CYS CA C 13 54.476 0.300 A 20 CYS CB C 13 43.178 0.300 A 20 CYS N N 15 121.714 0.300 A 22 ILE H H 1 8.865 0.020 A 22 ILE HA H 1 4.341 0.020 A 22 ILE HB H 1 1.830 0.020 A 22 ILE HD1% H 1 0.503 0.020 A 22 ILE HG12 H 1 0.798 0.020 A 22 ILE HG13 H 1 0.798 0.020 A 22 ILE HG2% H 1 0.946 0.020 A 22 ILE C C 13 176.380 0.300 A 22 ILE CA C 13 61.260 0.300 A 22 ILE CB C 13 40.877 0.300 A 22 ILE CD1 C 13 12.848 0.300 A 22 ILE CG1 C 13 23.473 0.300 A 22 ILE CG2 C 13 17.053 0.300 A 22 ILE N N 15 124.351 0.300 A 23 SER H H 1 9.633 0.020 A 23 SER HA H 1 4.108 0.020 A 23 SER HB2 H 1 3.927 0.020 A 23 SER HB3 H 1 4.256 0.020 A 23 SER CA C 13 58.444 0.300 A 23 SER CB C 13 62.226 0.300 A 23 SER N N 15 124.886 0.300 A 24 GLY H H 1 8.635 0.020 A 24 GLY HA2 H 1 3.698 0.020 A 24 GLY HA3 H 1 4.182 0.020 A 24 GLY C C 13 173.429 0.300 A 24 GLY CA C 13 45.233 0.300 A 24 GLY N N 15 104.151 0.300 A 25 ARG H H 1 7.969 0.020 A 25 ARG HA H 1 4.580 0.020 A 25 ARG HB2 H 1 1.884 0.020 A 25 ARG HB3 H 1 1.884 0.020 A 25 ARG HD2 H 1 3.239 0.020 A 25 ARG HD3 H 1 3.239 0.020 A 25 ARG HE H 1 7.132 0.020 A 25 ARG HG2 H 1 1.500 0.020 A 25 ARG HG3 H 1 1.680 0.020 A 25 ARG C C 13 174.701 0.300 A 25 ARG CA C 13 54.268 0.300 A 25 ARG CB C 13 32.556 0.300 A 25 ARG CD C 13 43.268 0.300 A 25 ARG CG C 13 27.523 0.300 A 25 ARG N N 15 121.072 0.300 A 26 LEU H H 1 8.161 0.020 A 26 LEU HA H 1 4.799 0.020 A 26 LEU HB2 H 1 1.522 0.020 A 26 LEU HB3 H 1 1.522 0.020 A 26 LEU HD1% H 1 0.923 0.020 A 26 LEU HD2% H 1 0.923 0.020 A 26 LEU HG H 1 1.368 0.020 A 26 LEU CA C 13 55.937 0.300 A 26 LEU CB C 13 42.847 0.300 A 26 LEU CD1 C 13 24.744 0.300 A 26 LEU CG C 13 26.909 0.300 A 26 LEU N N 15 124.251 0.300 A 27 TYR H H 1 9.173 0.020 A 27 TYR HA H 1 4.786 0.020 A 27 TYR HB2 H 1 2.502 0.020 A 27 TYR HB3 H 1 3.338 0.020 A 27 TYR HD1 H 1 6.971 0.020 A 27 TYR HD2 H 1 6.971 0.020 A 27 TYR HE1 H 1 6.838 0.020 A 27 TYR HE2 H 1 6.838 0.020 A 27 TYR CA C 13 54.099 0.300 A 27 TYR CB C 13 40.954 0.300 A 27 TYR N N 15 122.809 0.300 A 29 LEU HA H 1 4.612 0.020 A 29 LEU HB2 H 1 1.519 0.020 A 29 LEU HB3 H 1 1.519 0.020 A 29 LEU HD1% H 1 0.761 0.020 A 29 LEU HD2% H 1 0.761 0.020 A 29 LEU HG H 1 1.334 0.020 A 29 LEU CB C 13 42.860 0.300 A 30 CYS H H 1 9.020 0.020 A 30 CYS HA H 1 5.442 0.020 A 30 CYS HB2 H 1 2.862 0.020 A 30 CYS HB3 H 1 3.444 0.020 A 30 CYS CA C 13 53.458 0.300 A 30 CYS CB C 13 43.152 0.300 A 30 CYS N N 15 127.797 0.300 A 31 CYS H H 1 9.049 0.020 A 31 CYS HA H 1 5.767 0.020 A 31 CYS HB2 H 1 2.957 0.020 A 31 CYS HB3 H 1 3.111 0.020 A 31 CYS C C 13 173.200 0.300 A 31 CYS CA C 13 55.684 0.300 A 31 CYS CB C 13 49.066 0.300 A 31 CYS N N 15 120.526 0.300 A 32 ARG H H 1 8.969 0.020 A 32 ARG HA H 1 4.586 0.020 A 32 ARG HD2 H 1 3.281 0.020 A 32 ARG HD3 H 1 3.281 0.020 A 32 ARG HG2 H 1 1.817 0.020 A 32 ARG HG3 H 1 1.817 0.020 A 32 ARG C C 13 179.595 0.300 A 32 ARG CA C 13 57.317 0.300 A 32 ARG CB C 13 32.511 0.300 A 32 ARG CD C 13 43.725 0.300 A 32 ARG CG C 13 27.216 0.300 A 32 ARG N N 15 126.371 0.300 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin 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 11 ALA H A 10 CYS HB2 1.0 0.0 3.72 2 2 A 15 SER H A 10 CYS HB2 1.0 0.0 5.50 3 3 A 10 CYS H A 10 CYS HB2 1.0 0.0 3.72 4 4 A 2 THR HA A 3 CYS H 1.0 0.0 3.46 5 5 A 22 ILE HB A 27 TYR HD% 1.0 0.0 5.28 6 6 A 22 ILE HB A 22 ILE HD1% 1.0 0.0 3.05 7 7 A 22 ILE HB A 27 TYR HE% 1.0 0.0 3.43 8 8 A 22 ILE HB A 22 ILE H 1.0 0.0 4.05 9 9 A 31 CYS H A 31 CYS HB3 1.0 0.0 4.09 10 10 A 32 ARG H A 31 CYS HB3 1.0 0.0 4.42 11 11 A 1 ALA HB% A 31 CYS HB3 1.0 0.0 3.25 12 12 A 3 CYS H A 31 CYS HB3 1.0 0.0 5.50 13 13 A 15 SER H A 31 CYS HB3 1.0 0.0 5.50 14 14 A 19 VAL HA A 19 VAL HG2% 1.0 0.0 4.04 15 15 A 3 CYS HA A 29 LEU HD1% 1.0 0.0 4.97 16 15 A 3 CYS HA A 29 LEU HD2% 1.0 0.0 4.97 17 16 A 32 ARG H A 3 CYS HA 1.0 0.0 3.92 18 17 A 3 CYS HA A 2 THR HG2% 1.0 0.0 5.36 19 18 A 3 CYS HA A 4 TYR HD% 1.0 0.0 4.54 20 19 A 3 CYS HA A 31 CYS HB2 1.0 0.0 5.50 21 20 A 3 CYS HA A 2 THR HB 1.0 0.0 5.50 22 21 A 3 CYS HA A 31 CYS HA 1.0 0.0 3.00 23 22 A 30 CYS HB3 A 10 CYS HB2 1.0 0.0 2.86 24 23 A 14 GLU HG3 A 30 CYS HB3 1.0 0.0 4.72 25 23 A 30 CYS HB3 A 14 GLU HG2 1.0 0.0 4.72 26 24 A 15 SER H A 30 CYS HB3 1.0 0.0 5.34 27 25 A 10 CYS HB3 A 30 CYS HB3 1.0 0.0 3.60 28 26 A 30 CYS HB3 A 6 ARG HG2 1.0 0.0 4.06 29 26 A 6 ARG HG3 A 30 CYS HB3 1.0 0.0 4.06 30 27 A 25 ARG HA A 25 ARG HG2 1.0 0.0 3.83 31 28 A 25 ARG HA A 26 LEU H 1.0 0.0 3.13 32 29 A 22 ILE H A 25 ARG HA 1.0 0.0 5.50 33 30 A 14 GLU H A 14 GLU HG2 1.0 0.0 3.67 34 30 A 14 GLU HG3 A 14 GLU H 1.0 0.0 3.67 35 31 A 11 ALA H A 14 GLU HG2 1.0 0.0 4.06 36 31 A 11 ALA H A 14 GLU HG3 1.0 0.0 4.06 37 32 A 14 GLU HG3 A 30 CYS HB2 1.0 0.0 4.08 38 32 A 14 GLU HG2 A 30 CYS HB2 1.0 0.0 4.08 39 33 A 15 SER H A 14 GLU HG2 1.0 0.0 4.95 40 33 A 15 SER H A 14 GLU HG3 1.0 0.0 4.95 41 34 A 14 GLU HB3 A 14 GLU HG2 1.0 0.0 2.90 42 34 A 14 GLU HB2 A 14 GLU HG2 1.0 0.0 2.90 43 34 A 14 GLU HG3 A 14 GLU HB3 1.0 0.0 2.90 44 34 A 14 GLU HG3 A 14 GLU HB2 1.0 0.0 2.90 45 35 A 25 ARG HA A 25 ARG HG3 1.0 0.0 3.83 46 36 A 25 ARG H A 25 ARG HG3 1.0 0.0 4.76 47 37 A 26 LEU H A 25 ARG HG3 1.0 0.0 4.72 48 38 A 31 CYS H A 15 SER HA 1.0 0.0 5.50 49 39 A 10 CYS H A 9 ARG HB2 1.0 0.0 3.75 50 39 A 10 CYS H A 9 ARG HB3 1.0 0.0 3.75 51 40 A 9 ARG HB3 A 9 ARG HG2 1.0 0.0 2.66 52 40 A 9 ARG HG3 A 9 ARG HB2 1.0 0.0 2.66 53 40 A 9 ARG HB3 A 9 ARG HG3 1.0 0.0 2.66 54 40 A 9 ARG HB2 A 9 ARG HG2 1.0 0.0 2.66 55 41 A 9 ARG H A 9 ARG HB2 1.0 0.0 3.94 56 41 A 9 ARG HB3 A 9 ARG H 1.0 0.0 3.94 57 42 A 29 LEU HD2% A 17 SER HB2 1.0 0.0 4.13 58 42 A 17 SER HB2 A 29 LEU HD1% 1.0 0.0 4.13 59 43 A 29 LEU HB3 A 17 SER HB2 1.0 0.0 4.89 60 43 A 17 SER HB2 A 29 LEU HB2 1.0 0.0 4.89 61 44 A 18 GLY H A 17 SER HB2 1.0 0.0 5.50 62 45 A 27 TYR HD% A 22 ILE HG12 1.0 0.0 4.82 63 45 A 27 TYR HD% A 22 ILE HG13 1.0 0.0 4.82 64 46 A 22 ILE H A 22 ILE HG12 1.0 0.0 4.72 65 46 A 22 ILE H A 22 ILE HG13 1.0 0.0 4.72 66 47 A 12 THR HG2% A 13 ARG H 1.0 0.0 3.47 67 48 A 12 THR HG2% A 12 THR HA 1.0 0.0 3.15 68 49 A 17 SER H A 16 LEU HB2 1.0 0.0 5.50 69 49 A 16 LEU HB3 A 17 SER H 1.0 0.0 5.50 70 50 A 16 LEU H A 16 LEU HB2 1.0 0.0 3.62 71 50 A 16 LEU HB3 A 16 LEU H 1.0 0.0 3.62 72 51 A 16 LEU HD1% A 16 LEU HB2 1.0 0.0 3.77 73 51 A 16 LEU HB3 A 16 LEU HD1% 1.0 0.0 3.77 74 52 A 4 TYR HE% A 32 ARG HD2 1.0 0.0 4.17 75 52 A 4 TYR HE% A 32 ARG HD3 1.0 0.0 4.17 76 53 A 27 TYR HE% A 23 SER HB2 1.0 0.0 5.45 77 54 A 24 GLY H A 23 SER HB2 1.0 0.0 5.50 78 55 A 23 SER HA A 23 SER HB2 1.0 0.0 2.95 79 56 A 20 CYS H A 20 CYS HB3 1.0 0.0 4.06 80 57 A 27 TYR H A 20 CYS HB3 1.0 0.0 4.20 81 58 A 6 ARG HA A 6 ARG HD2 1.0 0.0 4.80 82 58 A 6 ARG HA A 6 ARG HD3 1.0 0.0 4.80 83 59 A 27 TYR HD% A 22 ILE HD1% 1.0 0.0 4.01 84 60 A 22 ILE HD1% A 22 ILE HA 1.0 0.0 4.14 85 61 A 22 ILE HD1% A 5 CYS HB3 1.0 0.0 4.66 86 62 A 22 ILE HD1% A 27 TYR HB3 1.0 0.0 4.02 87 63 A 22 ILE HD1% A 22 ILE H 1.0 0.0 4.40 88 64 A 22 ILE HD1% A 5 CYS H 1.0 0.0 5.48 89 65 A 22 ILE HD1% A 22 ILE HG2% 1.0 0.0 2.58 90 66 A 22 ILE HD1% A 20 CYS HA 1.0 0.0 5.25 91 67 A 2 THR HA A 2 THR HG2% 1.0 0.0 3.46 92 68 A 2 THR HG2% A 2 THR H 1.0 0.0 4.14 93 69 A 2 THR HG2% A 4 TYR HD% 1.0 0.0 4.70 94 70 A 3 CYS H A 2 THR HG2% 1.0 0.0 4.03 95 71 A 2 THR HG2% A 4 TYR HE% 1.0 0.0 3.58 96 72 A 16 LEU HG A 16 LEU HB2 1.0 0.0 2.86 97 72 A 16 LEU HB3 A 16 LEU HG 1.0 0.0 2.86 98 73 A 16 LEU HG A 16 LEU HA 1.0 0.0 3.68 99 74 A 10 CYS HA A 14 GLU HG2 1.0 0.0 5.14 100 74 A 14 GLU HG3 A 10 CYS HA 1.0 0.0 5.14 101 75 A 10 CYS HA A 9 ARG HA 1.0 0.0 4.98 102 76 A 26 LEU HB3 A 26 LEU HD1% 1.0 0.0 3.15 103 76 A 26 LEU HB2 A 26 LEU HD1% 1.0 0.0 3.15 104 76 A 26 LEU HD2% A 26 LEU HB2 1.0 0.0 3.15 105 76 A 26 LEU HB3 A 26 LEU HD2% 1.0 0.0 3.15 106 77 A 1 ALA HB% A 2 THR H 1.0 0.0 3.01 107 78 A 1 ALA HB% A 31 CYS HA 1.0 0.0 4.90 108 79 A 22 ILE HA A 22 ILE HG2% 1.0 0.0 3.48 109 80 A 31 CYS H A 31 CYS HB2 1.0 0.0 3.73 110 81 A 32 ARG H A 31 CYS HB2 1.0 0.0 5.50 111 82 A 1 ALA HB% A 31 CYS HB2 1.0 0.0 3.77 112 83 A 3 CYS H A 31 CYS HB2 1.0 0.0 5.50 113 84 A 15 SER H A 31 CYS HB2 1.0 0.0 5.50 114 85 A 30 CYS HA A 31 CYS HB2 1.0 0.0 4.77 115 86 A 29 LEU HG A 31 CYS HB2 1.0 0.0 5.50 116 87 A 20 CYS H A 19 VAL HG1% 1.0 0.0 5.50 117 88 A 6 ARG HB2 A 6 ARG HD2 1.0 0.0 3.27 118 88 A 6 ARG HB3 A 6 ARG HD2 1.0 0.0 3.27 119 88 A 6 ARG HD3 A 6 ARG HB2 1.0 0.0 3.27 120 88 A 6 ARG HD3 A 6 ARG HB3 1.0 0.0 3.27 121 89 A 6 ARG H A 6 ARG HB2 1.0 0.0 3.95 122 89 A 6 ARG HB3 A 6 ARG H 1.0 0.0 3.95 123 90 A 4 TYR HD% A 5 CYS HA 1.0 0.0 5.33 124 91 A 5 CYS HA A 29 LEU HA 1.0 0.0 2.70 125 92 A 10 CYS HB2 A 30 CYS HB2 1.0 0.0 3.73 126 93 A 11 ALA H A 30 CYS HB2 1.0 0.0 5.32 127 94 A 16 LEU HD2% A 30 CYS HB2 1.0 0.0 5.14 128 95 A 10 CYS HB3 A 30 CYS HB2 1.0 0.0 3.09 129 96 A 25 ARG HA A 25 ARG HD2 1.0 0.0 4.11 130 96 A 25 ARG HA A 25 ARG HD3 1.0 0.0 4.11 131 97 A 26 LEU H A 25 ARG HD2 1.0 0.0 5.07 132 97 A 26 LEU H A 25 ARG HD3 1.0 0.0 5.07 133 98 A 25 ARG HB2 A 25 ARG HD2 1.0 0.0 3.75 134 98 A 25 ARG HB3 A 25 ARG HD2 1.0 0.0 3.75 135 98 A 25 ARG HD3 A 25 ARG HB2 1.0 0.0 3.75 136 98 A 25 ARG HD3 A 25 ARG HB3 1.0 0.0 3.75 137 99 A 31 CYS H A 15 SER HB3 1.0 0.0 4.03 138 100 A 15 SER H A 15 SER HB3 1.0 0.0 3.87 139 101 A 16 LEU H A 15 SER HB3 1.0 0.0 5.45 140 102 A 14 GLU H A 11 ALA HB% 1.0 0.0 4.86 141 103 A 13 ARG H A 11 ALA HB% 1.0 0.0 3.11 142 104 A 11 ALA H A 11 ALA HB% 1.0 0.0 2.70 143 105 A 11 ALA HB% A 12 THR H 1.0 0.0 2.86 144 106 A 25 ARG H A 25 ARG HG2 1.0 0.0 4.76 145 107 A 26 LEU H A 25 ARG HG2 1.0 0.0 4.72 146 108 A 9 ARG HA A 9 ARG HD2 1.0 0.0 3.62 147 108 A 9 ARG HA A 9 ARG HD3 1.0 0.0 3.62 148 109 A 10 CYS H A 9 ARG HD2 1.0 0.0 3.90 149 109 A 10 CYS H A 9 ARG HD3 1.0 0.0 3.90 150 110 A 6 ARG H A 5 CYS HB3 1.0 0.0 4.41 151 111 A 9 ARG HA A 9 ARG HB2 1.0 0.0 3.00 152 111 A 9 ARG HB3 A 9 ARG HA 1.0 0.0 3.00 153 112 A 10 CYS H A 9 ARG HA 1.0 0.0 2.64 154 113 A 9 ARG HA A 9 ARG HG2 1.0 0.0 3.05 155 113 A 9 ARG HG3 A 9 ARG HA 1.0 0.0 3.05 156 114 A 29 LEU HB2 A 29 LEU HD1% 1.0 0.0 3.43 157 114 A 29 LEU HB3 A 29 LEU HD1% 1.0 0.0 3.43 158 114 A 29 LEU HD2% A 29 LEU HB2 1.0 0.0 3.43 159 114 A 29 LEU HD2% A 29 LEU HB3 1.0 0.0 3.43 160 115 A 18 GLY H A 29 LEU HB2 1.0 0.0 4.41 161 115 A 29 LEU HB3 A 18 GLY H 1.0 0.0 4.41 162 116 A 13 ARG H A 12 THR HB 1.0 0.0 3.93 163 117 A 12 THR H A 12 THR HB 1.0 0.0 3.29 164 118 A 12 THR HB A 11 ALA HA 1.0 0.0 5.50 165 119 A 16 LEU HA A 30 CYS HA 1.0 0.0 3.85 166 120 A 2 THR H A 32 ARG HG2 1.0 0.0 4.40 167 120 A 2 THR H A 32 ARG HG3 1.0 0.0 4.40 168 121 A 4 TYR HE% A 32 ARG HG2 1.0 0.0 4.97 169 121 A 4 TYR HE% A 32 ARG HG3 1.0 0.0 4.97 170 122 A 32 ARG HA A 32 ARG HG2 1.0 0.0 3.96 171 122 A 32 ARG HG3 A 32 ARG HA 1.0 0.0 3.96 172 123 A 27 TYR HE% A 23 SER HB3 1.0 0.0 5.45 173 124 A 24 GLY H A 23 SER HB3 1.0 0.0 5.50 174 125 A 23 SER HA A 23 SER HB3 1.0 0.0 2.95 175 126 A 20 CYS H A 20 CYS HB2 1.0 0.0 3.52 176 127 A 27 TYR H A 20 CYS HB2 1.0 0.0 4.95 177 128 A 6 ARG HA A 5 CYS HA 1.0 0.0 5.50 178 129 A 16 LEU HB2 A 16 LEU HD2% 1.0 0.0 3.77 179 129 A 16 LEU HB3 A 16 LEU HD2% 1.0 0.0 3.77 180 130 A 29 LEU HA A 16 LEU HD2% 1.0 0.0 4.24 181 131 A 30 CYS H A 10 CYS HB3 1.0 0.0 5.50 182 132 A 14 GLU HG3 A 10 CYS HB3 1.0 0.0 3.62 183 132 A 10 CYS HB3 A 14 GLU HG2 1.0 0.0 3.62 184 133 A 11 ALA HB% A 10 CYS HB3 1.0 0.0 4.44 185 134 A 14 GLU HB2 A 10 CYS HB3 1.0 0.0 4.12 186 134 A 10 CYS HB3 A 14 GLU HB3 1.0 0.0 4.12 187 135 A 32 ARG H A 2 THR HB 1.0 0.0 3.82 188 136 A 2 THR HB A 2 THR H 1.0 0.0 3.82 189 137 A 1 ALA HB% A 2 THR HB 1.0 0.0 4.64 190 138 A 3 CYS H A 2 THR HB 1.0 0.0 5.28 191 139 A 2 THR HB A 32 ARG HG2 1.0 0.0 4.05 192 139 A 2 THR HB A 32 ARG HG3 1.0 0.0 4.05 193 140 A 2 THR HB A 4 TYR HE% 1.0 0.0 5.50 194 141 A 2 THR HA A 3 CYS HB3 1.0 0.0 5.50 195 142 A 29 LEU HD2% A 3 CYS HB3 1.0 0.0 3.27 196 142 A 3 CYS HB3 A 29 LEU HD1% 1.0 0.0 3.27 197 143 A 29 LEU HG A 3 CYS HB3 1.0 0.0 3.91 198 144 A 5 CYS HB3 A 27 TYR HB3 1.0 0.0 2.84 199 145 A 27 TYR H A 27 TYR HB3 1.0 0.0 3.65 200 146 A 2 THR H A 1 ALA HA 1.0 0.0 2.81 201 147 A 32 ARG H A 31 CYS HA 1.0 0.0 3.29 202 148 A 15 SER H A 31 CYS HA 1.0 0.0 5.50 203 149 A 31 CYS HA A 3 CYS HB3 1.0 0.0 4.85 204 150 A 31 CYS H A 14 GLU HA 1.0 0.0 5.50 205 151 A 25 ARG H A 25 ARG HB2 1.0 0.0 3.83 206 151 A 25 ARG H A 25 ARG HB3 1.0 0.0 3.83 207 152 A 26 LEU H A 25 ARG HB2 1.0 0.0 5.02 208 152 A 26 LEU H A 25 ARG HB3 1.0 0.0 5.02 209 153 A 24 GLY H A 25 ARG HB2 1.0 0.0 5.50 210 153 A 24 GLY H A 25 ARG HB3 1.0 0.0 5.50 211 154 A 22 ILE H A 25 ARG HB2 1.0 0.0 5.50 212 154 A 22 ILE H A 25 ARG HB3 1.0 0.0 5.50 213 155 A 30 CYS HA A 10 CYS HB2 1.0 0.0 5.09 214 156 A 31 CYS H A 30 CYS HA 1.0 0.0 3.05 215 157 A 15 SER H A 30 CYS HA 1.0 0.0 5.37 216 158 A 30 CYS HA A 29 LEU HB2 1.0 0.0 5.50 217 158 A 29 LEU HB3 A 30 CYS HA 1.0 0.0 5.50 218 159 A 30 CYS HA A 14 GLU HB3 1.0 0.0 4.44 219 159 A 14 GLU HB2 A 30 CYS HA 1.0 0.0 4.44 220 160 A 17 SER H A 30 CYS HA 1.0 0.0 4.11 221 161 A 14 GLU HB2 A 10 CYS HB2 1.0 0.0 3.53 222 161 A 10 CYS HB2 A 14 GLU HB3 1.0 0.0 3.53 223 162 A 14 GLU HB2 A 32 ARG HD2 1.0 0.0 3.41 224 162 A 14 GLU HB3 A 32 ARG HD2 1.0 0.0 3.41 225 162 A 32 ARG HD3 A 14 GLU HB3 1.0 0.0 3.41 226 162 A 14 GLU HB2 A 32 ARG HD3 1.0 0.0 3.41 227 163 A 11 ALA H A 14 GLU HB3 1.0 0.0 4.78 228 163 A 11 ALA H A 14 GLU HB2 1.0 0.0 4.78 229 164 A 10 CYS HA A 14 GLU HB3 1.0 0.0 4.94 230 164 A 14 GLU HB2 A 10 CYS HA 1.0 0.0 4.94 231 165 A 14 GLU HB2 A 30 CYS HB2 1.0 0.0 3.56 232 165 A 14 GLU HB3 A 30 CYS HB2 1.0 0.0 3.56 233 166 A 15 SER H A 14 GLU HB3 1.0 0.0 4.12 234 166 A 15 SER H A 14 GLU HB2 1.0 0.0 4.12 235 167 A 31 CYS H A 15 SER HB2 1.0 0.0 4.01 236 168 A 15 SER H A 15 SER HB2 1.0 0.0 3.87 237 169 A 7 THR HG2% A 8 GLY H 1.0 0.0 4.68 238 170 A 7 THR HG2% A 7 THR HA 1.0 0.0 3.83 239 171 A 7 THR HG2% A 7 THR H 1.0 0.0 3.84 240 172 A 10 CYS H A 9 ARG HG2 1.0 0.0 3.97 241 172 A 10 CYS H A 9 ARG HG3 1.0 0.0 3.97 242 173 A 9 ARG H A 9 ARG HG2 1.0 0.0 3.75 243 173 A 9 ARG HG3 A 9 ARG H 1.0 0.0 3.75 244 174 A 31 CYS HB3 A 17 SER HB3 1.0 0.0 5.50 245 175 A 29 LEU HD2% A 17 SER HB3 1.0 0.0 3.72 246 175 A 17 SER HB3 A 29 LEU HD1% 1.0 0.0 3.72 247 176 A 17 SER HB3 A 31 CYS HB2 1.0 0.0 4.91 248 177 A 29 LEU HB3 A 17 SER HB3 1.0 0.0 4.27 249 177 A 17 SER HB3 A 29 LEU HB2 1.0 0.0 4.27 250 178 A 18 GLY H A 17 SER HB3 1.0 0.0 5.43 251 179 A 17 SER H A 17 SER HB3 1.0 0.0 3.69 252 180 A 29 LEU HG A 17 SER HB3 1.0 0.0 4.18 253 181 A 22 ILE HG2% A 22 ILE HG12 1.0 0.0 2.44 254 181 A 22 ILE HG13 A 22 ILE HG2% 1.0 0.0 2.44 255 182 A 22 ILE HG2% A 23 SER H 1.0 0.0 4.30 256 183 A 22 ILE H A 22 ILE HG2% 1.0 0.0 4.81 257 184 A 22 ILE HG13 A 5 CYS HB2 1.0 0.0 4.90 258 184 A 5 CYS HB2 A 22 ILE HG12 1.0 0.0 4.90 259 185 A 22 ILE HD1% A 5 CYS HB2 1.0 0.0 5.50 260 186 A 6 ARG H A 5 CYS HB2 1.0 0.0 4.28 261 187 A 14 GLU H A 12 THR HA 1.0 0.0 4.64 262 188 A 12 THR HA A 11 ALA HA 1.0 0.0 4.55 263 189 A 6 ARG HB3 A 6 ARG HG2 1.0 0.0 2.93 264 189 A 6 ARG HG3 A 6 ARG HB2 1.0 0.0 2.93 265 189 A 6 ARG HG3 A 6 ARG HB3 1.0 0.0 2.93 266 189 A 6 ARG HB2 A 6 ARG HG2 1.0 0.0 2.93 267 190 A 32 ARG HA A 31 CYS HB3 1.0 0.0 5.04 268 191 A 32 ARG HA A 32 ARG HD2 1.0 0.0 4.05 269 191 A 32 ARG HD3 A 32 ARG HA 1.0 0.0 4.05 270 192 A 2 THR H A 32 ARG HA 1.0 0.0 4.43 271 193 A 32 ARG HA A 31 CYS HB2 1.0 0.0 5.25 272 194 A 32 ARG HA A 14 GLU HA 1.0 0.0 3.69 273 195 A 24 GLY H A 23 SER HA 1.0 0.0 3.50 274 196 A 23 SER HA A 22 ILE HG2% 1.0 0.0 4.31 275 197 A 19 VAL HB A 26 LEU HD1% 1.0 0.0 3.74 276 197 A 26 LEU HD2% A 19 VAL HB 1.0 0.0 3.74 277 198 A 12 THR H A 11 ALA HA 1.0 0.0 2.84 278 199 A 16 LEU HD1% A 30 CYS HB2 1.0 0.0 5.14 279 200 A 29 LEU HA A 16 LEU HD1% 1.0 0.0 4.24 280 201 A 5 CYS H A 4 TYR HB2 1.0 0.0 3.64 281 201 A 5 CYS H A 4 TYR HB3 1.0 0.0 3.64 282 202 A 7 THR HG2% A 8 GLY HA2 1.0 0.0 5.22 283 202 A 7 THR HG2% A 8 GLY HA3 1.0 0.0 5.22 284 203 A 10 CYS H A 16 LEU HD2% 1.0 0.0 5.18 285 203 A 10 CYS H A 16 LEU HD1% 1.0 0.0 5.18 286 204 A 12 THR H A 13 ARG HGx 1.0 0.0 5.34 287 204 A 12 THR H A 13 ARG HG3 1.0 0.0 5.34 288 205 A 12 THR HB A 13 ARG HGx 1.0 0.0 4.03 289 205 A 12 THR HB A 13 ARG HG3 1.0 0.0 4.03 290 206 A 12 THR HG2% A 13 ARG HDx 1.0 0.0 4.12 291 206 A 12 THR HG2% A 13 ARG HD3 1.0 0.0 4.12 292 207 A 13 ARG H A 13 ARG HBx 1.0 0.0 3.51 293 207 A 13 ARG H A 13 ARG HB3 1.0 0.0 3.51 294 208 A 13 ARG H A 13 ARG HGx 1.0 0.0 4.00 295 208 A 13 ARG H A 13 ARG HG3 1.0 0.0 4.00 296 209 A 13 ARG HA A 13 ARG HGx 1.0 0.0 3.23 297 209 A 13 ARG HG3 A 13 ARG HA 1.0 0.0 3.23 298 210 A 13 ARG HA A 13 ARG HDx 1.0 0.0 3.86 299 210 A 13 ARG HD3 A 13 ARG HA 1.0 0.0 3.86 300 211 A 13 ARG HB3 A 13 ARG HGx 1.0 0.0 2.37 301 211 A 13 ARG HBx A 13 ARG HGx 1.0 0.0 2.37 302 211 A 13 ARG HG3 A 13 ARG HBx 1.0 0.0 2.37 303 211 A 13 ARG HG3 A 13 ARG HB3 1.0 0.0 2.37 304 212 A 13 ARG HBx A 13 ARG HDx 1.0 0.0 3.14 305 212 A 13 ARG HB3 A 13 ARG HDx 1.0 0.0 3.14 306 212 A 13 ARG HD3 A 13 ARG HBx 1.0 0.0 3.14 307 212 A 13 ARG HD3 A 13 ARG HB3 1.0 0.0 3.14 308 213 A 13 ARG HDx A 13 ARG HGx 1.0 0.0 2.34 309 213 A 13 ARG HD3 A 13 ARG HGx 1.0 0.0 2.34 310 213 A 13 ARG HG3 A 13 ARG HDx 1.0 0.0 2.34 311 213 A 13 ARG HG3 A 13 ARG HD3 1.0 0.0 2.34 312 214 A 14 GLU H A 13 ARG HGx 1.0 0.0 4.76 313 214 A 14 GLU H A 13 ARG HG3 1.0 0.0 4.76 314 215 A 16 LEU H A 16 LEU HD2% 1.0 0.0 4.14 315 215 A 16 LEU H A 16 LEU HD1% 1.0 0.0 4.14 316 216 A 16 LEU HA A 16 LEU HD2% 1.0 0.0 3.01 317 216 A 16 LEU HA A 16 LEU HD1% 1.0 0.0 3.01 318 217 A 17 SER H A 16 LEU HD2% 1.0 0.0 3.54 319 217 A 17 SER H A 16 LEU HD1% 1.0 0.0 3.54 320 218 A 18 GLY H A 16 LEU HD2% 1.0 0.0 3.66 321 218 A 18 GLY H A 16 LEU HD1% 1.0 0.0 3.66 322 219 A 16 LEU HD2% A 18 GLY HA2 1.0 0.0 4.93 323 219 A 16 LEU HD1% A 18 GLY HA2 1.0 0.0 4.93 324 219 A 18 GLY HA3 A 16 LEU HD2% 1.0 0.0 4.93 325 219 A 16 LEU HD1% A 18 GLY HA3 1.0 0.0 4.93 326 220 A 30 CYS HA A 16 LEU HD2% 1.0 0.0 4.23 327 220 A 30 CYS HA A 16 LEU HD1% 1.0 0.0 4.23 328 221 A 16 LEU HD1% A 30 CYS HB2 1.0 0.0 4.45 329 221 A 16 LEU HD2% A 30 CYS HB2 1.0 0.0 4.45 330 222 A 19 VAL HA A 18 GLY HA2 1.0 0.0 4.95 331 222 A 19 VAL HA A 18 GLY HA3 1.0 0.0 4.95 332 223 A 22 ILE H A 25 ARG HG2 1.0 0.0 5.31 333 223 A 22 ILE H A 25 ARG HG3 1.0 0.0 5.31 334 224 A 22 ILE HB A 23 SER HB2 1.0 0.0 5.34 335 224 A 22 ILE HB A 23 SER HB3 1.0 0.0 5.34 336 225 A 22 ILE HG2% A 23 SER HB2 1.0 0.0 3.59 337 225 A 22 ILE HG2% A 23 SER HB3 1.0 0.0 3.59 338 226 A 25 ARG H A 25 ARG HG2 1.0 0.0 4.04 339 226 A 25 ARG H A 25 ARG HG3 1.0 0.0 4.04 340 227 A 25 ARG HA A 25 ARG HG2 1.0 0.0 3.11 341 227 A 25 ARG HA A 25 ARG HG3 1.0 0.0 3.11 342 228 A 26 LEU H A 25 ARG HG2 1.0 0.0 3.91 343 228 A 26 LEU H A 25 ARG HG3 1.0 0.0 3.91 344 229 A 27 TYR HE% A 25 ARG HG2 1.0 0.0 4.37 345 229 A 27 TYR HE% A 25 ARG HG3 1.0 0.0 4.37 346 230 A 19 VAL HA A 28 ARG HA 1.0 0.0 2.50 347 231 A 26 LEU HA A 21 GLU HA 1.0 0.0 2.50 348 232 A 5 CYS H A 29 LEU HD1% 1.0 0.0 4.35 349 232 A 29 LEU HD2% A 5 CYS H 1.0 0.0 4.35 350 233 A 4 TYR HD% A 5 CYS H 1.0 0.0 3.80 351 234 A 7 THR HG2% A 8 GLY H 1.0 0.0 4.89 352 235 A 17 SER H A 30 CYS HA 1.0 0.0 4.22 353 236 A 17 SER H A 16 LEU HB2 1.0 0.0 4.83 354 236 A 16 LEU HB3 A 17 SER H 1.0 0.0 4.83 355 237 A 17 SER H A 16 LEU HA 1.0 0.0 3.27 356 238 A 18 GLY H A 17 SER H 1.0 0.0 3.58 357 239 A 11 ALA H A 14 GLU HG2 1.0 0.0 3.69 358 239 A 11 ALA H A 14 GLU HG3 1.0 0.0 3.69 359 240 A 11 ALA H A 10 CYS HA 1.0 0.0 2.92 360 241 A 11 ALA H A 14 GLU HB3 1.0 0.0 3.97 361 242 A 11 ALA H A 10 CYS HB3 1.0 0.0 3.53 362 243 A 11 ALA H A 14 GLU HB2 1.0 0.0 3.97 363 244 A 11 ALA H A 10 CYS HB2 1.0 0.0 3.28 364 245 A 14 GLU H A 14 GLU HG2 1.0 0.0 3.30 365 245 A 14 GLU HG3 A 14 GLU H 1.0 0.0 3.30 366 246 A 11 ALA H A 14 GLU H 1.0 0.0 4.18 367 247 A 14 GLU H A 11 ALA HB% 1.0 0.0 3.89 368 248 A 14 GLU H A 13 ARG H 1.0 0.0 3.21 369 249 A 14 GLU H A 12 THR HA 1.0 0.0 3.91 370 250 A 32 ARG H A 2 THR HB 1.0 0.0 5.49 371 251 A 32 ARG H A 32 ARG HBx 1.0 0.0 4.00 372 251 A 32 ARG H A 32 ARG HBy 1.0 0.0 4.00 373 252 A 2 THR HA A 32 ARG H 1.0 0.0 4.95 374 253 A 32 ARG H A 31 CYS HB3 1.0 0.0 3.95 375 254 A 32 ARG H A 31 CYS HA 1.0 0.0 3.25 376 255 A 32 ARG H A 3 CYS HA 1.0 0.0 4.12 377 256 A 32 ARG H A 31 CYS HB2 1.0 0.0 4.39 378 257 A 13 ARG H A 11 ALA HB% 1.0 0.0 3.29 379 258 A 22 ILE H A 27 TYR H 1.0 0.0 4.10 380 259 A 3 CYS H A 2 THR HB 1.0 0.0 4.71 381 260 A 3 CYS H A 31 CYS HB3 1.0 0.0 4.97 382 261 A 3 CYS H A 2 THR HG2% 1.0 0.0 5.18 383 262 A 3 CYS H A 2 THR H 1.0 0.0 3.97 384 263 A 3 CYS H A 31 CYS HB2 1.0 0.0 5.50 385 264 A 31 CYS H A 30 CYS HA 1.0 0.0 2.73 386 265 A 31 CYS H A 15 SER HB2 1.0 0.0 5.50 387 266 A 31 CYS H A 32 ARG HD2 1.0 0.0 5.38 388 266 A 31 CYS H A 32 ARG HD3 1.0 0.0 5.38 389 267 A 31 CYS H A 15 SER HA 1.0 0.0 3.97 390 268 A 31 CYS H A 32 ARG HBx 1.0 0.0 4.70 391 268 A 31 CYS H A 32 ARG HBy 1.0 0.0 4.70 392 269 A 31 CYS H A 31 CYS HB3 1.0 0.0 3.54 393 270 A 31 CYS H A 15 SER HB3 1.0 0.0 4.16 394 271 A 15 SER H A 31 CYS H 1.0 0.0 3.25 395 272 A 31 CYS H A 14 GLU HA 1.0 0.0 4.27 396 273 A 31 CYS H A 31 CYS HB2 1.0 0.0 3.28 397 274 A 29 LEU HG A 30 CYS H 1.0 0.0 4.31 398 275 A 30 CYS H A 29 LEU HD1% 1.0 0.0 3.65 399 275 A 29 LEU HD2% A 30 CYS H 1.0 0.0 3.65 400 276 A 30 CYS H A 29 LEU HB2 1.0 0.0 3.96 401 276 A 29 LEU HB3 A 30 CYS H 1.0 0.0 3.96 402 277 A 18 GLY H A 17 SER HB3 1.0 0.0 5.07 403 278 A 18 GLY H A 16 LEU HD1% 1.0 0.0 5.35 404 279 A 18 GLY H A 17 SER HB2 1.0 0.0 4.11 405 280 A 18 GLY H A 29 LEU HD1% 1.0 0.0 5.32 406 280 A 29 LEU HD2% A 18 GLY H 1.0 0.0 5.32 407 281 A 18 GLY H A 29 LEU HB2 1.0 0.0 4.19 408 281 A 29 LEU HB3 A 18 GLY H 1.0 0.0 4.19 409 282 A 18 GLY H A 16 LEU HD2% 1.0 0.0 5.35 410 283 A 10 CYS H A 9 ARG HB2 1.0 0.0 3.34 411 283 A 10 CYS H A 9 ARG HB3 1.0 0.0 3.34 412 284 A 10 CYS H A 9 ARG HD2 1.0 0.0 3.89 413 284 A 10 CYS H A 9 ARG HD3 1.0 0.0 3.89 414 285 A 10 CYS H A 9 ARG HA 1.0 0.0 2.61 415 286 A 10 CYS H A 9 ARG HG2 1.0 0.0 3.19 416 286 A 10 CYS H A 9 ARG HG3 1.0 0.0 3.19 417 287 A 6 ARG H A 5 CYS HB3 1.0 0.0 4.60 418 288 A 6 ARG H A 5 CYS HB2 1.0 0.0 5.50 419 289 A 4 TYR HD% A 6 ARG H 1.0 0.0 4.79 420 290 A 26 LEU H A 25 ARG HD2 1.0 0.0 5.33 421 290 A 26 LEU H A 25 ARG HD3 1.0 0.0 5.33 422 291 A 26 LEU H A 25 ARG HB2 1.0 0.0 4.59 423 291 A 26 LEU H A 25 ARG HB3 1.0 0.0 4.59 424 292 A 24 GLY H A 23 SER HB3 1.0 0.0 4.63 425 293 A 25 ARG H A 24 GLY H 1.0 0.0 3.71 426 294 A 24 GLY H A 23 SER HA 1.0 0.0 3.17 427 295 A 24 GLY H A 23 SER HB2 1.0 0.0 4.63 428 296 A 22 ILE H A 25 ARG H 1.0 0.0 3.68 429 297 A 27 TYR HE% A 22 ILE H 1.0 0.0 3.59 430 298 A 22 ILE H A 25 ARG HA 1.0 0.0 4.72 431 299 A 27 TYR HD% A 22 ILE H 1.0 0.0 3.69 432 300 A 14 GLU H A 12 THR H 1.0 0.0 4.10 433 301 A 11 ALA HB% A 12 THR H 1.0 0.0 2.78 434 302 A 12 THR H A 11 ALA HA 1.0 0.0 2.74 435 303 A 15 SER H A 30 CYS HA 1.0 0.0 4.25 436 304 A 15 SER H A 30 CYS HB3 1.0 0.0 4.62 437 305 A 15 SER H A 14 GLU HB3 1.0 0.0 3.98 438 306 A 15 SER H A 31 CYS HB3 1.0 0.0 5.50 439 307 A 15 SER H A 14 GLU HA 1.0 0.0 2.99 440 308 A 15 SER H A 14 GLU HB2 1.0 0.0 3.98 441 309 A 15 SER H A 31 CYS HA 1.0 0.0 4.91 442 310 A 15 SER H A 31 CYS HB2 1.0 0.0 4.69 443 311 A 16 LEU H A 16 LEU HB2 1.0 0.0 3.13 444 311 A 16 LEU HB3 A 16 LEU H 1.0 0.0 3.13 445 312 A 16 LEU H A 16 LEU HD1% 1.0 0.0 4.39 446 313 A 15 SER HA A 16 LEU H 1.0 0.0 3.17 447 314 A 16 LEU H A 15 SER HB3 1.0 0.0 3.65 448 315 A 16 LEU H A 16 LEU HD2% 1.0 0.0 4.39 449 316 A 22 ILE HG2% A 23 SER H 1.0 0.0 4.45 450 317 A 23 SER H A 22 ILE HG12 1.0 0.0 5.44 451 317 A 22 ILE HG13 A 23 SER H 1.0 0.0 5.44 452 318 A 24 GLY H A 23 SER H 1.0 0.0 4.50 453 319 A 2 THR H A 1 ALA HA 1.0 0.0 2.71 454 320 A 2 THR H A 32 ARG HBx 1.0 0.0 4.26 455 320 A 2 THR H A 32 ARG HBy 1.0 0.0 4.26 456 321 A 2 THR H A 32 ARG HG2 1.0 0.0 5.03 457 321 A 2 THR H A 32 ARG HG3 1.0 0.0 5.03 458 322 A 1 ALA HB% A 2 THR H 1.0 0.0 3.26 459 323 A 2 THR H A 32 ARG HA 1.0 0.0 5.37 460 324 A 3 CYS HA A 2 THR H 1.0 0.0 4.93 461 325 A 9 ARG H A 9 ARG HB2 1.0 0.0 3.65 462 325 A 9 ARG HB3 A 9 ARG H 1.0 0.0 3.65 463 326 A 9 ARG H A 8 GLY HA3 1.0 0.0 3.08 464 327 A 9 ARG H A 8 GLY HA2 1.0 0.0 3.08 465 328 A 10 CYS H A 16 LEU HD2% 1.0 0.0 4.67 466 328 A 10 CYS H A 16 LEU HD1% 1.0 0.0 4.67 467 329 A 11 ALA H A 14 GLU HB3 1.0 0.0 3.30 468 329 A 11 ALA H A 14 GLU HB2 1.0 0.0 3.30 469 330 A 12 THR H A 13 ARG HGx 1.0 0.0 4.33 470 330 A 12 THR H A 13 ARG HG3 1.0 0.0 4.33 471 331 A 15 SER H A 14 GLU HB3 1.0 0.0 3.48 472 331 A 15 SER H A 14 GLU HB2 1.0 0.0 3.48 473 332 A 16 LEU H A 16 LEU HD2% 1.0 0.0 3.83 474 332 A 16 LEU H A 16 LEU HD1% 1.0 0.0 3.83 475 333 A 17 SER H A 16 LEU HD2% 1.0 0.0 3.73 476 333 A 17 SER H A 16 LEU HD1% 1.0 0.0 3.73 477 334 A 18 GLY H A 16 LEU HD2% 1.0 0.0 4.46 478 334 A 18 GLY H A 16 LEU HD1% 1.0 0.0 4.46 479 335 A 26 LEU H A 25 ARG HG2 1.0 0.0 3.97 480 335 A 26 LEU H A 25 ARG HG3 1.0 0.0 3.97 481 336 A 2 THR HB A 32 ARG HD2 1.0 0.0 5.50 482 336 A 2 THR HB A 32 ARG HD3 1.0 0.0 5.50 483 337 A 4 TYR HD% A 5 CYS HB3 1.0 0.0 5.50 484 338 A 12 THR HG2% A 11 ALA HA 1.0 0.0 5.50 485 339 A 12 THR HA A 11 ALA HB% 1.0 0.0 5.50 486 340 A 11 ALA HB% A 12 THR HB 1.0 0.0 5.00 487 341 A 3 CYS HA A 4 TYR HD% 1.0 0.0 4.00 488 342 A 6 ARG HD2 A 14 GLU HB3 1.0 0.0 5.50 489 342 A 6 ARG HD3 A 14 GLU HB3 1.0 0.0 5.50 490 342 A 14 GLU HB2 A 6 ARG HD2 1.0 0.0 5.50 491 342 A 14 GLU HB2 A 6 ARG HD3 1.0 0.0 5.50 492 343 A 10 CYS H A 11 ALA HA 1.0 0.0 5.50 493 344 A 12 THR HA A 13 ARG HA 1.0 0.0 5.00 494 345 A 14 GLU HB3 A 32 ARG HD2 1.0 0.0 5.50 495 345 A 14 GLU HB2 A 32 ARG HD2 1.0 0.0 5.50 496 345 A 32 ARG HD3 A 14 GLU HB3 1.0 0.0 5.50 497 345 A 14 GLU HB2 A 32 ARG HD3 1.0 0.0 5.50 498 346 A 19 VAL HA A 16 LEU HD2% 1.0 0.0 5.00 499 346 A 19 VAL HA A 16 LEU HD1% 1.0 0.0 5.00 500 347 A 29 LEU HG A 17 SER HB2 1.0 0.0 4.00 501 348 A 19 VAL HB A 20 CYS HB2 1.0 0.0 6.50 502 348 A 19 VAL HB A 20 CYS HB3 1.0 0.0 6.50 503 349 A 20 CYS HA A 22 ILE HG12 1.0 0.0 5.50 504 349 A 22 ILE HG13 A 20 CYS HA 1.0 0.0 5.50 505 350 A 22 ILE HB A 20 CYS HB2 1.0 0.0 5.50 506 350 A 22 ILE HB A 20 CYS HB3 1.0 0.0 5.50 507 351 A 3 CYS HB2 A 31 CYS HB2 1.0 0.0 5.50 508 351 A 31 CYS HB3 A 3 CYS HB2 1.0 0.0 5.50 509 351 A 3 CYS HB3 A 31 CYS HB3 1.0 0.0 5.50 510 351 A 3 CYS HB3 A 31 CYS HB2 1.0 0.0 5.50 511 352 A 29 LEU HA A 5 CYS HB2 1.0 0.0 5.50 512 352 A 29 LEU HA A 5 CYS HB3 1.0 0.0 5.50 513 353 A 9 ARG HA A 10 CYS HB2 1.0 0.0 5.50 514 353 A 9 ARG HA A 10 CYS HB3 1.0 0.0 5.50 515 354 A 12 THR HA A 13 ARG HBx 1.0 0.0 5.50 516 354 A 12 THR HA A 13 ARG HB3 1.0 0.0 5.50 517 355 A 31 CYS H A 15 SER HB2 1.0 0.0 5.50 518 355 A 31 CYS H A 15 SER HB3 1.0 0.0 5.50 519 356 A 16 LEU HD2% A 19 VAL HG1% 1.0 0.0 4.50 520 356 A 16 LEU HD1% A 19 VAL HG1% 1.0 0.0 4.50 521 356 A 19 VAL HG2% A 16 LEU HD2% 1.0 0.0 4.50 522 356 A 16 LEU HD1% A 19 VAL HG2% 1.0 0.0 4.50 523 357 A 30 CYS HA A 17 SER HB2 1.0 0.0 5.50 524 357 A 30 CYS HA A 17 SER HB3 1.0 0.0 5.50 525 358 A 22 ILE HA A 23 SER HB2 1.0 0.0 5.50 526 358 A 22 ILE HA A 23 SER HB3 1.0 0.0 5.50 527 359 A 2 THR HB A 1 ALA HA 1.0 0.0 5.00 528 360 A 3 CYS HA A 2 THR H 1.0 0.0 5.00 529 361 A 2 THR HA A 32 ARG H 1.0 0.0 5.00 530 362 A 2 THR HB A 32 ARG HBx 1.0 0.0 5.00 531 362 A 2 THR HB A 32 ARG HBy 1.0 0.0 5.00 532 363 A 3 CYS HA A 4 TYR HB2 1.0 0.0 5.50 533 363 A 3 CYS HA A 4 TYR HB3 1.0 0.0 5.50 534 364 A 4 TYR HD% A 30 CYS HB2 1.0 0.0 5.50 535 364 A 4 TYR HD% A 30 CYS HB3 1.0 0.0 5.50 536 365 A 9 ARG HA A 8 GLY HA2 1.0 0.0 4.50 537 365 A 9 ARG HA A 8 GLY HA3 1.0 0.0 4.50 538 366 A 10 CYS HA A 11 ALA HB% 1.0 0.0 5.00 539 367 A 11 ALA HB% A 13 ARG HBx 1.0 0.0 5.50 540 367 A 11 ALA HB% A 13 ARG HB3 1.0 0.0 5.50 541 368 A 16 LEU H A 30 CYS HA 1.0 0.0 5.00 542 369 A 19 VAL H A 16 LEU HD2% 1.0 0.0 6.00 543 369 A 16 LEU HD1% A 19 VAL H 1.0 0.0 6.00 544 370 A 23 SER HA A 22 ILE HA 1.0 0.0 4.50 545 371 A 31 CYS H A 32 ARG HBx 1.0 0.0 5.50 546 371 A 31 CYS H A 32 ARG HBy 1.0 0.0 5.50 547 372 A 5 CYS H A 3 CYS HB2 1.0 0.0 6.00 548 372 A 5 CYS H A 3 CYS HB3 1.0 0.0 6.00 549 373 A 2 THR HA A 1 ALA HB% 1.0 0.0 5.50 550 374 A 11 ALA H A 12 THR H 1.0 0.0 5.50 551 375 A 15 SER H A 14 GLU H 1.0 0.0 5.50 552 376 A 30 CYS HA A 14 GLU HA 1.0 0.0 5.50 553 377 A 17 SER H A 16 LEU H 1.0 0.0 5.50 554 378 A 5 CYS H A 20 CYS HB2 1.0 0.0 5.50 555 378 A 5 CYS H A 20 CYS HB3 1.0 0.0 5.50 556 379 A 13 ARG H A 12 THR H 1.0 0.0 5.50 557 380 A 20 CYS HB2 A 26 LEU HD1% 1.0 0.0 5.50 558 380 A 20 CYS HB3 A 26 LEU HD1% 1.0 0.0 5.50 559 380 A 26 LEU HD2% A 20 CYS HB2 1.0 0.0 5.50 560 380 A 26 LEU HD2% A 20 CYS HB3 1.0 0.0 5.50 561 381 A 20 CYS HB2 A 22 ILE HG12 1.0 0.0 5.50 562 381 A 20 CYS HB3 A 22 ILE HG12 1.0 0.0 5.50 563 381 A 22 ILE HG13 A 20 CYS HB2 1.0 0.0 5.50 564 381 A 22 ILE HG13 A 20 CYS HB3 1.0 0.0 5.50 565 382 A 27 TYR HE% A 25 ARG HB2 1.0 0.0 5.50 566 382 A 27 TYR HE% A 25 ARG HB3 1.0 0.0 5.50 567 383 A 11 ALA HB% A 14 GLU HG2 1.0 0.0 5.00 568 383 A 14 GLU HG3 A 11 ALA HB% 1.0 0.0 5.00 569 384 A 27 TYR HA A 5 CYS HB2 1.0 0.0 5.50 570 385 A 4 TYR HD% A 5 CYS HB2 1.0 0.0 5.50 571 385 A 4 TYR HD% A 5 CYS HB3 1.0 0.0 5.50 572 386 A 11 ALA H A 10 CYS HB2 1.0 0.0 4.50 573 387 A 6 ARG HB2 A 30 CYS HB2 1.0 0.0 5.00 574 387 A 6 ARG HB3 A 30 CYS HB2 1.0 0.0 5.00 575 387 A 30 CYS HB3 A 6 ARG HB2 1.0 0.0 5.00 576 387 A 6 ARG HB3 A 30 CYS HB3 1.0 0.0 5.00 577 388 A 5 CYS HA A 20 CYS HB3 1.0 0.0 5.00 578 389 A 7 THR HA A 25 ARG HG2 1.0 0.0 5.50 579 389 A 7 THR HA A 25 ARG HG3 1.0 0.0 5.50 580 390 A 14 GLU HG3 A 10 CYS HB2 1.0 0.0 5.50 581 390 A 10 CYS HB2 A 14 GLU HG2 1.0 0.0 5.50 582 391 A 14 GLU H A 12 THR H 1.0 0.0 4.50 583 392 A 12 THR HB A 13 ARG HA 1.0 0.0 4.50 584 393 A 14 GLU H A 13 ARG HBx 1.0 0.0 4.40 585 393 A 14 GLU H A 13 ARG HB3 1.0 0.0 4.40 586 394 A 22 ILE H A 20 CYS HB2 1.0 0.0 5.50 587 394 A 22 ILE H A 20 CYS HB3 1.0 0.0 5.50 588 395 A 22 ILE HB A 27 TYR HB3 1.0 0.0 5.50 589 395 A 22 ILE HB A 27 TYR HB2 1.0 0.0 5.50 590 396 A 5 CYS H A 22 ILE HG12 1.0 0.0 5.50 591 396 A 22 ILE HG13 A 5 CYS H 1.0 0.0 5.50 592 397 A 10 CYS H A 30 CYS HB2 1.0 0.0 5.50 593 397 A 10 CYS H A 30 CYS HB3 1.0 0.0 5.50 594 398 A 22 ILE HD1% A 27 TYR HE% 1.0 0.0 5.00 595 399 A 31 CYS H A 1 ALA HB% 1.0 0.0 5.50 596 400 A 3 CYS HA A 32 ARG HBx 1.0 0.0 6.50 597 400 A 3 CYS HA A 32 ARG HBy 1.0 0.0 6.50 598 401 A 14 GLU H A 10 CYS HB2 1.0 0.0 5.00 599 401 A 14 GLU H A 10 CYS HB3 1.0 0.0 5.00 600 402 A 31 CYS H A 30 CYS HB3 1.0 0.0 4.00 601 403 A 12 THR HG2% A 12 THR H 1.0 0.0 4.00 602 404 A 11 ALA H A 30 CYS HB3 1.0 0.0 5.00 603 405 A 12 THR HG2% A 13 ARG HBx 1.0 0.0 5.50 604 405 A 12 THR HG2% A 13 ARG HB3 1.0 0.0 5.50 605 406 A 13 ARG HBx A 14 GLU HG2 1.0 0.0 6.50 606 406 A 13 ARG HB3 A 14 GLU HG2 1.0 0.0 6.50 607 406 A 14 GLU HG3 A 13 ARG HBx 1.0 0.0 6.50 608 406 A 14 GLU HG3 A 13 ARG HB3 1.0 0.0 6.50 609 407 A 11 ALA H A 10 CYS HB3 1.0 0.0 3.00 610 408 A 10 CYS H A 10 CYS HB3 1.0 0.0 4.00 611 409 A 31 CYS H A 15 SER HA 1.0 0.0 5.00 612 410 A 22 ILE HB A 22 ILE HD1% 1.0 0.0 4.00 613 411 A 30 CYS HB3 A 6 ARG HG2 1.0 0.0 5.50 614 411 A 6 ARG HG3 A 30 CYS HB3 1.0 0.0 5.50 615 412 A 27 TYR H A 7 THR HA 1.0 0.0 6.50 616 413 A 27 TYR H A 20 CYS HA 1.0 0.0 5.50 617 414 A 20 CYS H A 27 TYR H 1.0 0.0 4.00 618 415 A 31 CYS H A 15 SER HB2 1.0 0.0 5.50 619 416 A 16 LEU H A 16 LEU HG 1.0 0.0 4.50 620 417 A 31 CYS H A 16 LEU H 1.0 0.0 5.50 621 418 A 22 ILE H A 22 ILE HG2% 1.0 0.0 5.50 622 419 A 14 GLU H A 14 GLU HG2 1.0 0.0 4.50 623 419 A 14 GLU HG3 A 14 GLU H 1.0 0.0 4.50 624 420 A 14 GLU HG3 A 32 ARG HD2 1.0 0.0 4.50 625 420 A 14 GLU HG2 A 32 ARG HD2 1.0 0.0 4.50 626 420 A 32 ARG HD3 A 14 GLU HG2 1.0 0.0 4.50 627 420 A 14 GLU HG3 A 32 ARG HD3 1.0 0.0 4.50 628 421 A 6 ARG HG2 A 27 TYR HB3 1.0 0.0 5.50 629 421 A 27 TYR HB2 A 6 ARG HG2 1.0 0.0 5.50 630 421 A 6 ARG HG3 A 27 TYR HB2 1.0 0.0 5.50 631 421 A 6 ARG HG3 A 27 TYR HB3 1.0 0.0 5.50 632 422 A 11 ALA HB% A 14 GLU HB3 1.0 0.0 3.93 633 422 A 14 GLU HB2 A 11 ALA HB% 1.0 0.0 3.93 634 423 A 14 GLU H A 13 ARG HBx 1.0 0.0 4.40 635 423 A 14 GLU H A 13 ARG HB3 1.0 0.0 4.40 636 424 A 14 GLU H A 14 GLU HB3 1.0 0.0 2.92 637 424 A 14 GLU H A 14 GLU HB2 1.0 0.0 2.92 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 ALA C A 2 THR N A 2 THR CA A 2 THR C 1.0 -123.0 -79.0 PHI 2 2 A 2 THR N A 2 THR CA A 2 THR C A 3 CYS N 1.0 75.0 167.0 PSI 3 3 A 2 THR C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -156.8 -80.0 PHI 4 4 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 TYR N 1.0 135.8 179.6 PSI 5 5 A 3 CYS C A 4 TYR N A 4 TYR CA A 4 TYR C 1.0 -166.9 -86.3 PHI 6 6 A 4 TYR N A 4 TYR CA A 4 TYR C A 5 CYS N 1.0 107.7 168.7 PSI 7 7 A 4 TYR C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -161.4 -90.0 PHI 8 8 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 ARG N 1.0 132.8 174.0 PSI 9 9 A 5 CYS C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -170.0 -121.4 PHI 10 10 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 THR N 1.0 109.3 157.9 PSI 11 11 A 6 ARG C A 7 THR N A 7 THR CA A 7 THR C 1.0 -161.2 -64.8 PHI 12 12 A 7 THR N A 7 THR CA A 7 THR C A 8 GLY N 1.0 30.0 90.0 PSI 13 13 A 7 THR C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 -228.0 -88.0 PHI 14 14 A 8 GLY N A 8 GLY CA A 8 GLY C A 9 ARG N 1.0 135.0 199.0 PSI 15 15 A 8 GLY C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -125.9 -62.1 PHI 16 16 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 CYS N 1.0 105.1 163.9 PSI 17 17 A 9 ARG C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -179.9 -104.7 PHI 18 18 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 ALA N 1.0 100.0 200.0 PSI 19 19 A 10 CYS C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -151.4 -24.4 PHI 20 20 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 THR N 1.0 94.0 195.2 PSI 21 21 A 11 ALA C A 12 THR N A 12 THR CA A 12 THR C 1.0 -84.0 -27.4 PHI 22 22 A 12 THR N A 12 THR CA A 12 THR C A 13 ARG N 1.0 -65.2 -4.2 PSI 23 23 A 13 ARG C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -140.0 -60.8 PHI 24 24 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 SER N 1.0 119.5 185.9 PSI 25 25 A 14 GLU C A 15 SER N A 15 SER CA A 15 SER C 1.0 -151.2 -89.8 PHI 26 26 A 15 SER N A 15 SER CA A 15 SER C A 16 LEU N 1.0 105.0 160.4 PSI 27 27 A 15 SER C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -98.0 -41.6 PHI 28 28 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 SER N 1.0 104.4 144.4 PSI 29 29 A 16 LEU C A 17 SER N A 17 SER CA A 17 SER C 1.0 -140.0 -60.8 PHI 30 30 A 17 SER N A 17 SER CA A 17 SER C A 18 GLY N 1.0 -80.6 10.4 PSI 31 31 A 17 SER C A 18 GLY N A 18 GLY CA A 18 GLY C 1.0 -194.0 -98.0 PHI 32 32 A 18 GLY N A 18 GLY CA A 18 GLY C A 19 VAL N 1.0 132.0 180.0 PSI 33 33 A 18 GLY C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -165.1 -96.5 PHI 34 34 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 CYS N 1.0 104.4 184.4 PSI 35 35 A 19 VAL C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -193.6 -73.6 PHI 36 36 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 GLU N 1.0 87.4 207.6 PSI 37 37 A 20 CYS C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -188.0 -54.8 PHI 38 38 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 ILE N 1.0 90.0 171.0 PSI 39 39 A 21 GLU C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -164.5 -100.7 PHI 40 40 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 SER N 1.0 103.0 143.0 PSI 41 41 A 22 ILE C A 23 SER N A 23 SER CA A 23 SER C 1.0 32.0 72.0 PHI 42 42 A 23 SER N A 23 SER CA A 23 SER C A 24 GLY N 1.0 23.0 63.0 PSI 43 43 A 23 SER C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 58.3 98.3 PHI 44 44 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 ARG N 1.0 -24.4 30.4 PSI 45 45 A 24 GLY C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -147.6 -75.2 PHI 46 46 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 LEU N 1.0 116.1 171.9 PSI 47 47 A 25 ARG C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -142.5 -51.3 PHI 48 48 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 TYR N 1.0 101.1 166.7 PSI 49 49 A 26 LEU C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -151.7 -76.3 PHI 50 50 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 ARG N 1.0 119.5 174.9 PSI 51 51 A 29 LEU C A 30 CYS N A 30 CYS CA A 30 CYS C 1.0 -151.3 -104.3 PHI 52 52 A 30 CYS N A 30 CYS CA A 30 CYS C A 31 CYS N 1.0 126.9 179.1 PSI 53 53 A 30 CYS C A 31 CYS N A 31 CYS CA A 31 CYS C 1.0 -156.9 -98.9 PHI 54 54 A 31 CYS N A 31 CYS CA A 31 CYS C A 32 ARG N 1.0 107.5 167.5 PSI 55 55 A 2 THR N A 2 THR CA A 2 THR CB A 2 THR OG1 1.0 -90.0 -30.0 CHI1 56 56 A 3 CYS N A 3 CYS CA A 3 CYS CB A 3 CYS SG 1.0 -90.0 -30.0 CHI1 57 57 A 5 CYS N A 5 CYS CA A 5 CYS CB A 5 CYS SG 1.0 -90.0 -30.0 CHI1 58 58 A 10 CYS N A 10 CYS CA A 10 CYS CB A 10 CYS SG 1.0 -90.0 -30.0 CHI1 59 59 A 12 THR N A 12 THR CA A 12 THR CB A 12 THR OG1 1.0 -90.0 -30.0 CHI1 60 60 A 14 GLU N A 14 GLU CA A 14 GLU CB A 14 GLU CG 1.0 -90.0 -30.0 CHI1 61 61 A 15 SER N A 15 SER CA A 15 SER CB A 15 SER OG 1.0 30.0 90.0 CHI1 62 62 A 17 SER N A 17 SER CA A 17 SER CB A 17 SER OG 1.0 30.0 90.0 CHI1 63 63 A 19 VAL N A 19 VAL CA A 19 VAL CB A 19 VAL CG1 1.0 30.0 90.0 CHI1 64 64 A 20 CYS N A 20 CYS CA A 20 CYS CB A 20 CYS SG 1.0 -90.0 -30.0 CHI1 65 65 A 22 ILE N A 22 ILE CA A 22 ILE CB A 22 ILE CG1 1.0 -90.0 -30.0 CHI1 66 66 A 23 SER N A 23 SER CA A 23 SER CB A 23 SER OG 1.0 30.0 90.0 CHI1 67 67 A 27 TYR N A 27 TYR CA A 27 TYR CB A 27 TYR CG 1.0 -90.0 -30.0 CHI1 68 68 A 30 CYS N A 30 CYS CA A 30 CYS CB A 30 CYS SG 1.0 30.0 90.0 CHI1 69 69 A 31 CYS N A 31 CYS CA A 31 CYS CB A 31 CYS SG 1.0 -90.0 -30.0 CHI1 70 70 A 14 GLU CA A 14 GLU CB A 14 GLU CG A 14 GLU CD 1.0 150.0 250.0 CHI2 stop_ save_