data_nef_c25419_2mxm 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 2MXM 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 2 CYS SG 1 17 CYS SG 1 9 CYS SG 1 22 CYS SG 1 16 CYS SG 1 29 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 ASP start . . 2 A 2 CYS middle -HG . 3 A 3 LEU middle . . 4 A 4 LYS middle . . 5 A 5 PHE middle . . 6 A 6 GLY middle . false 7 A 7 TRP middle . . 8 A 8 LYS middle . . 9 A 9 CYS middle -HG . 10 A 10 ASN middle . . 11 A 11 PRO middle . false 12 A 12 ARG middle . . 13 A 13 ASN middle . . 14 A 14 ASP middle . . 15 A 15 LYS middle . . 16 A 16 CYS middle -HG . 17 A 17 CYS middle -HG . 18 A 18 SER middle . . 19 A 19 GLY middle . false 20 A 20 LEU middle . . 21 A 21 LYS middle . . 22 A 22 CYS middle -HG . 23 A 23 GLY middle . false 24 A 24 SER middle . . 25 A 25 ASN middle . . 26 A 26 HIS middle . . 27 A 27 ASN middle . . 28 A 28 TRP middle . . 29 A 29 CYS middle -HG . 30 A 30 LYS middle . . 31 A 31 LEU middle . . 32 A 32 HIS middle . . 33 A 33 LEU 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 ASP HA H 1 4.262 0.002 A 1 ASP HBx H 1 2.672 0.002 A 1 ASP HBy H 1 2.834 0.002 A 2 CYS H H 1 8.525 0.002 A 2 CYS HA H 1 4.873 0.002 A 2 CYS HBx H 1 3.069 0.002 A 2 CYS HBy H 1 3.152 0.002 A 3 LEU H H 1 8.461 0.002 A 3 LEU HA H 1 4.224 0.002 A 3 LEU HBx H 1 1.471 0.002 A 3 LEU HBy H 1 1.789 0.002 A 3 LEU HDx% H 1 1.042 0.002 A 3 LEU HDy% H 1 1.010 0.002 A 3 LEU HG H 1 1.559 0.002 A 4 LYS H H 1 5.315 0.002 A 4 LYS HA H 1 3.644 0.002 A 4 LYS HBx H 1 0.064 0.002 A 4 LYS HBy H 1 1.502 0.002 A 4 LYS HDx H 1 1.342 0.002 A 4 LYS HDy H 1 1.342 0.002 A 4 LYS HEx H 1 2.815 0.002 A 4 LYS HEy H 1 2.815 0.002 A 4 LYS HGx H 1 0.714 0.002 A 4 LYS HGy H 1 0.714 0.002 A 5 PHE H H 1 8.145 0.002 A 5 PHE HA H 1 3.669 0.002 A 5 PHE HBx H 1 2.723 0.002 A 5 PHE HBy H 1 2.979 0.002 A 5 PHE HDx H 1 7.031 0.002 A 5 PHE HDy H 1 7.031 0.002 A 5 PHE HEx H 1 7.374 0.002 A 5 PHE HEy H 1 7.374 0.002 A 5 PHE HZ H 1 7.331 0.002 A 6 GLY H H 1 8.767 0.002 A 6 GLY HAy H 1 3.807 0.002 A 6 GLY HAx H 1 2.937 0.002 A 7 TRP H H 1 8.312 0.002 A 7 TRP HA H 1 4.573 0.002 A 7 TRP HBx H 1 3.239 0.002 A 7 TRP HBy H 1 3.354 0.002 A 7 TRP HD1 H 1 6.991 0.002 A 7 TRP HE1 H 1 10.261 0.002 A 7 TRP HE3 H 1 7.687 0.002 A 7 TRP HH2 H 1 7.286 0.002 A 7 TRP HZ2 H 1 7.517 0.002 A 7 TRP HZ3 H 1 7.251 0.002 A 8 LYS H H 1 8.354 0.002 A 8 LYS HA H 1 4.556 0.002 A 8 LYS HBx H 1 1.510 0.002 A 8 LYS HBy H 1 1.750 0.002 A 8 LYS HDx H 1 1.636 0.002 A 8 LYS HDy H 1 1.636 0.002 A 8 LYS HEx H 1 2.931 0.002 A 8 LYS HEy H 1 2.931 0.002 A 8 LYS HGx H 1 1.385 0.002 A 8 LYS HGy H 1 1.385 0.002 A 9 CYS H H 1 8.173 0.002 A 9 CYS HA H 1 4.803 0.002 A 9 CYS HBx H 1 2.946 0.002 A 9 CYS HBy H 1 3.006 0.002 A 10 ASN H H 1 9.087 0.002 A 10 ASN HA H 1 5.069 0.002 A 10 ASN HBx H 1 2.660 0.002 A 10 ASN HBy H 1 2.931 0.002 A 10 ASN HD2x H 1 7.044 0.002 A 10 ASN HD2y H 1 7.687 0.002 A 11 PRO HA H 1 3.827 0.002 A 11 PRO HBy H 1 1.946 0.002 A 11 PRO HBx H 1 1.859 0.002 A 11 PRO HDx H 1 3.521 0.002 A 11 PRO HDy H 1 3.850 0.002 A 11 PRO HGx H 1 1.831 0.002 A 11 PRO HGy H 1 1.866 0.002 A 12 ARG H H 1 7.640 0.002 A 12 ARG HA H 1 4.145 0.002 A 12 ARG HBx H 1 1.571 0.002 A 12 ARG HBy H 1 1.845 0.002 A 12 ARG HDx H 1 3.113 0.002 A 12 ARG HDy H 1 3.113 0.002 A 12 ARG HE H 1 7.147 0.002 A 12 ARG HGx H 1 1.522 0.002 A 12 ARG HGy H 1 1.542 0.002 A 13 ASN H H 1 7.325 0.002 A 13 ASN HA H 1 4.550 0.002 A 13 ASN HBx H 1 2.479 0.002 A 13 ASN HBy H 1 2.572 0.002 A 13 ASN HD2x H 1 6.728 0.002 A 13 ASN HD2y H 1 7.364 0.002 A 14 ASP H H 1 8.572 0.002 A 14 ASP HA H 1 4.141 0.002 A 14 ASP HBx H 1 2.364 0.002 A 14 ASP HBy H 1 2.937 0.002 A 15 LYS H H 1 7.978 0.002 A 15 LYS HA H 1 4.613 0.002 A 15 LYS HBx H 1 1.554 0.002 A 15 LYS HBy H 1 2.300 0.002 A 15 LYS HDx H 1 1.439 0.002 A 15 LYS HDy H 1 1.439 0.002 A 15 LYS HEx H 1 2.815 0.002 A 15 LYS HEy H 1 2.815 0.002 A 15 LYS HGx H 1 1.320 0.002 A 15 LYS HGy H 1 1.320 0.002 A 15 LYS HZ1 H 1 7.389 0.002 A 15 LYS HZ2 H 1 7.389 0.002 A 15 LYS HZ3 H 1 7.389 0.002 A 16 CYS H H 1 9.266 0.002 A 16 CYS HA H 1 4.812 0.002 A 16 CYS HBx H 1 2.770 0.002 A 16 CYS HBy H 1 2.815 0.002 A 17 CYS H H 1 9.389 0.002 A 17 CYS HA H 1 4.343 0.002 A 17 CYS HBx H 1 2.469 0.002 A 17 CYS HBy H 1 3.292 0.002 A 18 SER H H 1 8.154 0.002 A 18 SER HA H 1 4.162 0.002 A 18 SER HBx H 1 3.758 0.002 A 18 SER HBy H 1 3.758 0.002 A 19 GLY H H 1 8.800 0.002 A 19 GLY HAy H 1 4.274 0.002 A 19 GLY HAx H 1 3.595 0.002 A 20 LEU H H 1 8.238 0.002 A 20 LEU HA H 1 5.241 0.002 A 20 LEU HBx H 1 1.335 0.002 A 20 LEU HBy H 1 2.215 0.002 A 20 LEU HDx% H 1 0.809 0.002 A 20 LEU HDy% H 1 0.751 0.002 A 20 LEU HG H 1 1.090 0.002 A 21 LYS H H 1 9.074 0.002 A 21 LYS HA H 1 4.458 0.002 A 21 LYS HBx H 1 1.389 0.002 A 21 LYS HBy H 1 1.434 0.002 A 21 LYS HDx H 1 1.306 0.002 A 21 LYS HDy H 1 1.306 0.002 A 21 LYS HEx H 1 2.830 0.002 A 21 LYS HEy H 1 2.830 0.002 A 21 LYS HGx H 1 1.212 0.002 A 21 LYS HGy H 1 1.212 0.002 A 22 CYS H H 1 10.197 0.002 A 22 CYS HA H 1 4.470 0.002 A 22 CYS HBx H 1 2.509 0.002 A 22 CYS HBy H 1 3.052 0.002 A 23 GLY H H 1 8.304 0.002 A 23 GLY HAy H 1 4.039 0.002 A 23 GLY HAx H 1 3.952 0.002 A 24 SER H H 1 8.423 0.002 A 24 SER HA H 1 4.043 0.002 A 24 SER HBx H 1 3.788 0.002 A 24 SER HBy H 1 3.870 0.002 A 25 ASN H H 1 8.302 0.002 A 25 ASN HA H 1 4.435 0.002 A 25 ASN HBx H 1 2.538 0.002 A 25 ASN HBy H 1 2.538 0.002 A 25 ASN HD2x H 1 6.823 0.002 A 25 ASN HD2y H 1 7.454 0.002 A 26 HIS H H 1 7.541 0.002 A 26 HIS HA H 1 4.357 0.002 A 26 HIS HBx H 1 2.157 0.002 A 26 HIS HBy H 1 2.266 0.002 A 26 HIS HD2 H 1 6.996 0.002 A 26 HIS HE1 H 1 8.387 0.002 A 27 ASN H H 1 8.406 0.002 A 27 ASN HA H 1 4.536 0.002 A 27 ASN HBx H 1 2.75 0.002 A 27 ASN HBy H 1 3.114 0.002 A 27 ASN HD2x H 1 6.617 0.002 A 27 ASN HD2y H 1 7.385 0.002 A 28 TRP H H 1 8.085 0.002 A 28 TRP HA H 1 5.583 0.002 A 28 TRP HBx H 1 2.575 0.002 A 28 TRP HBy H 1 2.814 0.002 A 28 TRP HD1 H 1 6.892 0.002 A 28 TRP HE1 H 1 10.065 0.002 A 28 TRP HE3 H 1 7.179 0.002 A 28 TRP HH2 H 1 6.974 0.002 A 28 TRP HZ2 H 1 7.228 0.002 A 28 TRP HZ3 H 1 6.857 0.002 A 29 CYS H H 1 8.582 0.002 A 29 CYS HA H 1 4.597 0.002 A 29 CYS HBx H 1 2.605 0.002 A 29 CYS HBy H 1 3.165 0.002 A 30 LYS H H 1 8.899 0.002 A 30 LYS HA H 1 4.722 0.002 A 30 LYS HBx H 1 1.796 0.002 A 30 LYS HBy H 1 1.877 0.002 A 30 LYS HDx H 1 1.57 0.002 A 30 LYS HDy H 1 1.57 0.002 A 30 LYS HEx H 1 2.828 0.002 A 30 LYS HEy H 1 2.828 0.002 A 30 LYS HGx H 1 1.391 0.002 A 30 LYS HGy H 1 1.391 0.002 A 31 LEU H H 1 8.377 0.002 A 31 LEU HA H 1 4.327 0.002 A 31 LEU HBx H 1 1.485 0.002 A 31 LEU HBy H 1 1.651 0.002 A 31 LEU HDx% H 1 0.815 0.002 A 31 LEU HDy% H 1 0.779 0.002 A 31 LEU HG H 1 1.600 0.002 A 32 HIS H H 1 8.347 0.002 A 32 HIS HA H 1 4.508 0.002 A 32 HIS HBx H 1 2.839 0.002 A 32 HIS HBy H 1 2.957 0.002 A 32 HIS HD2 H 1 7.239 0.002 A 33 LEU H H 1 8.065 0.002 A 33 LEU HA H 1 4.059 0.002 A 33 LEU HBx H 1 1.486 0.002 A 33 LEU HBy H 1 1.508 0.002 A 33 LEU HDx% H 1 0.808 0.002 A 33 LEU HDy% H 1 0.755 0.002 A 33 LEU HG H 1 1.353 0.002 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin 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 1 ASP HA A 2 CYS H 1.0 1.8 2.66 2 2 A 2 CYS H A 2 CYS HBy 1.0 1.8 3.29 3 3 A 2 CYS H A 2 CYS HBx 1.0 1.8 3.84 4 4 A 2 CYS HBy A 2 CYS HA 1.0 1.8 2.45 5 5 A 2 CYS HBx A 2 CYS HA 1.0 1.8 2.60 6 6 A 2 CYS HA A 3 LEU H 1.0 1.8 2.51 7 7 A 2 CYS HBy A 3 LEU H 1.0 1.8 3.82 8 8 A 2 CYS HBx A 3 LEU H 1.0 1.8 2.82 9 9 A 3 LEU H A 3 LEU HBx 1.0 1.8 2.67 10 10 A 3 LEU H A 3 LEU HBy 1.0 1.8 3.74 11 11 A 3 LEU H A 3 LEU HG 1.0 1.8 2.44 12 12 A 3 LEU H A 3 LEU HDx% 1.0 1.8 3.78 13 13 A 3 LEU H A 3 LEU HDy% 1.0 1.8 3.83 14 14 A 3 LEU HBy A 3 LEU HA 1.0 1.8 2.92 15 15 A 3 LEU HG A 3 LEU HA 1.0 1.8 3.16 16 16 A 3 LEU HDx% A 3 LEU HA 1.0 1.8 4.33 17 17 A 3 LEU HDy% A 3 LEU HA 1.0 1.8 2.53 18 18 A 3 LEU HBx A 3 LEU HDx% 1.0 1.8 2.69 19 19 A 3 LEU HBx A 3 LEU HDy% 1.0 1.8 3.24 20 20 A 3 LEU HBy A 3 LEU HDx% 1.0 1.8 3.11 21 21 A 3 LEU HBy A 3 LEU HDy% 1.0 1.8 2.93 22 22 A 3 LEU HBx A 4 LYS H 1.0 1.8 4.31 23 23 A 3 LEU HDx% A 4 LYS H 1.0 1.8 4.88 24 24 A 3 LEU HA A 4 LYS H 1.0 1.8 2.43 25 25 A 3 LEU HBy A 4 LYS H 1.0 1.8 3.70 26 26 A 3 LEU HG A 4 LYS H 1.0 1.8 5.13 27 27 A 3 LEU HDy% A 4 LYS H 1.0 1.8 3.61 28 28 A 4 LYS H A 4 LYS HBy 1.0 1.8 3.71 29 29 A 4 LYS H A 4 LYS HBx 1.0 1.8 2.64 30 30 A 4 LYS H A 4 LYS HGx 1.0 1.8 3.09 31 30 A 4 LYS H A 4 LYS HGy 1.0 1.8 3.09 32 31 A 4 LYS H A 4 LYS HDx 1.0 1.8 4.53 33 31 A 4 LYS H A 4 LYS HDy 1.0 1.8 4.53 34 32 A 4 LYS HBy A 4 LYS HA 1.0 1.8 2.66 35 33 A 4 LYS HA A 4 LYS HGx 1.0 1.8 3.16 36 33 A 4 LYS HGy A 4 LYS HA 1.0 1.8 3.16 37 34 A 4 LYS HA A 4 LYS HDx 1.0 1.8 4.66 38 34 A 4 LYS HDy A 4 LYS HA 1.0 1.8 4.66 39 35 A 4 LYS HA A 4 LYS HEx 1.0 1.8 5.50 40 35 A 4 LYS HA A 4 LYS HEy 1.0 1.8 5.50 41 36 A 4 LYS HBy A 4 LYS HEx 1.0 1.8 5.50 42 36 A 4 LYS HBy A 4 LYS HEy 1.0 1.8 5.50 43 37 A 4 LYS HBx A 4 LYS HEx 1.0 1.8 5.50 44 37 A 4 LYS HBx A 4 LYS HEy 1.0 1.8 5.50 45 38 A 4 LYS H A 5 PHE H 1.0 1.8 4.56 46 39 A 4 LYS HA A 5 PHE H 1.0 1.8 2.65 47 40 A 4 LYS HBy A 5 PHE H 1.0 1.8 2.40 48 41 A 4 LYS HBx A 5 PHE H 1.0 1.8 3.65 49 42 A 5 PHE H A 4 LYS HDx 1.0 1.8 4.64 50 42 A 4 LYS HDy A 5 PHE H 1.0 1.8 4.64 51 43 A 5 PHE H A 5 PHE HA 1.0 1.8 2.91 52 44 A 5 PHE H A 5 PHE HBx 1.0 1.8 2.75 53 45 A 5 PHE H A 5 PHE HBy 1.0 1.8 2.75 54 46 A 5 PHE HD% A 5 PHE HZ 1.0 1.8 3.99 55 47 A 5 PHE HA A 6 GLY H 1.0 1.8 2.40 56 48 A 25 ASN H A 24 SER HBy 1.0 1.8 4.31 57 49 A 6 GLY H A 7 TRP H 1.0 1.8 3.16 58 50 A 7 TRP H A 7 TRP HBx 1.0 1.8 2.51 59 51 A 7 TRP H A 7 TRP HBy 1.0 1.8 3.63 60 52 A 7 TRP HBx A 7 TRP HD1 1.0 1.8 3.77 61 53 A 7 TRP HBy A 7 TRP HD1 1.0 1.8 3.88 62 54 A 7 TRP HBx A 7 TRP HE3 1.0 1.8 3.50 63 55 A 7 TRP HBy A 7 TRP HE3 1.0 1.8 2.92 64 56 A 7 TRP HBy A 7 TRP HA 1.0 1.8 2.78 65 57 A 7 TRP HA A 8 LYS H 1.0 1.8 2.58 66 58 A 7 TRP HBx A 8 LYS H 1.0 1.8 4.14 67 59 A 7 TRP HBy A 8 LYS H 1.0 1.8 2.88 68 60 A 8 LYS H A 8 LYS HGx 1.0 1.8 4.06 69 60 A 8 LYS H A 8 LYS HGy 1.0 1.8 4.06 70 61 A 8 LYS H A 8 LYS HDx 1.0 1.8 5.50 71 61 A 8 LYS H A 8 LYS HDy 1.0 1.8 5.50 72 62 A 31 LEU HBx A 32 HIS H 1.0 1.8 5.50 73 63 A 8 LYS HA A 8 LYS HEx 1.0 1.8 5.50 74 63 A 8 LYS HA A 8 LYS HEy 1.0 1.8 5.50 75 64 A 8 LYS HA A 9 CYS HBy 1.0 1.8 5.50 76 65 A 8 LYS HA A 8 LYS HDx 1.0 1.8 3.79 77 65 A 8 LYS HDy A 8 LYS HA 1.0 1.8 3.79 78 66 A 8 LYS HEy A 8 LYS HBx 1.0 1.8 5.50 79 66 A 8 LYS HBx A 8 LYS HEx 1.0 1.8 5.50 80 67 A 8 LYS HEy A 8 LYS HBy 1.0 1.8 5.50 81 67 A 8 LYS HBy A 8 LYS HEx 1.0 1.8 5.50 82 68 A 8 LYS HA A 9 CYS H 1.0 1.8 2.40 83 69 A 9 CYS H A 8 LYS HBx 1.0 1.8 4.21 84 70 A 9 CYS H A 8 LYS HBy 1.0 1.8 4.21 85 71 A 9 CYS H A 8 LYS HGx 1.0 1.8 5.03 86 71 A 8 LYS HGy A 9 CYS H 1.0 1.8 5.03 87 72 A 9 CYS H A 8 LYS HDx 1.0 1.8 3.70 88 72 A 8 LYS HDy A 9 CYS H 1.0 1.8 3.70 89 73 A 9 CYS HBy A 9 CYS H 1.0 1.8 3.79 90 74 A 9 CYS HA A 9 CYS HBx 1.0 1.8 2.56 91 75 A 9 CYS HBy A 9 CYS HA 1.0 1.8 2.52 92 76 A 9 CYS HA A 10 ASN H 1.0 1.8 2.72 93 77 A 9 CYS HBx A 10 ASN H 1.0 1.8 2.64 94 78 A 9 CYS HBy A 10 ASN H 1.0 1.8 4.15 95 79 A 10 ASN H A 10 ASN HBx 1.0 1.8 3.10 96 80 A 10 ASN HBy A 10 ASN HD2x 1.0 1.8 3.00 97 81 A 10 ASN HBx A 10 ASN HD2x 1.0 1.8 2.87 98 82 A 10 ASN HBy A 10 ASN HD2y 1.0 1.8 3.96 99 83 A 10 ASN HBx A 10 ASN HD2y 1.0 1.8 3.50 100 84 A 10 ASN HBy A 10 ASN HA 1.0 1.8 2.92 101 85 A 11 PRO HGx A 12 ARG H 1.0 1.8 3.10 102 86 A 12 ARG H A 12 ARG HBy 1.0 1.8 3.61 103 87 A 12 ARG H A 12 ARG HBx 1.0 1.8 2.65 104 88 A 3 LEU HG A 15 LYS HBx 1.0 1.8 5.50 105 89 A 12 ARG HBy A 12 ARG HA 1.0 1.8 2.81 106 90 A 12 ARG HA A 12 ARG HDx 1.0 1.8 3.87 107 90 A 12 ARG HA A 12 ARG HDy 1.0 1.8 3.87 108 91 A 12 ARG HBy A 13 ASN H 1.0 1.8 3.72 109 92 A 12 ARG HBx A 13 ASN H 1.0 1.8 3.21 110 93 A 12 ARG H A 13 ASN H 1.0 1.8 2.89 111 94 A 13 ASN H A 13 ASN HBx 1.0 1.8 3.88 112 95 A 13 ASN H A 13 ASN HBy 1.0 1.8 3.88 113 96 A 13 ASN HD2x A 13 ASN HBx 1.0 1.8 3.48 114 97 A 13 ASN HD2x A 13 ASN HBy 1.0 1.8 3.48 115 98 A 13 ASN H A 14 ASP H 1.0 1.8 4.06 116 99 A 14 ASP H A 13 ASN HA 1.0 1.8 2.40 117 100 A 14 ASP H A 14 ASP HBx 1.0 1.8 2.80 118 101 A 14 ASP HBx A 14 ASP HA 1.0 1.8 2.80 119 102 A 14 ASP HA A 15 LYS H 1.0 1.8 2.40 120 103 A 15 LYS H A 14 ASP HBy 1.0 1.8 4.35 121 104 A 14 ASP HBx A 15 LYS H 1.0 1.8 4.67 122 105 A 15 LYS H A 15 LYS HBy 1.0 1.8 3.79 123 106 A 15 LYS HBx A 15 LYS H 1.0 1.8 2.65 124 107 A 15 LYS H A 15 LYS HGx 1.0 1.8 3.45 125 107 A 15 LYS H A 15 LYS HGy 1.0 1.8 3.45 126 108 A 15 LYS H A 15 LYS HDx 1.0 1.8 4.04 127 108 A 15 LYS H A 15 LYS HDy 1.0 1.8 4.04 128 109 A 15 LYS HBy A 15 LYS HA 1.0 1.8 2.97 129 110 A 15 LYS HA A 15 LYS HGx 1.0 1.8 3.53 130 110 A 15 LYS HGy A 15 LYS HA 1.0 1.8 3.53 131 111 A 15 LYS HA A 15 LYS HDx 1.0 1.8 3.59 132 111 A 15 LYS HDy A 15 LYS HA 1.0 1.8 3.59 133 112 A 15 LYS HA A 15 LYS HEx 1.0 1.8 3.58 134 112 A 15 LYS HA A 15 LYS HEy 1.0 1.8 3.58 135 113 A 15 LYS HBy A 15 LYS HEx 1.0 1.8 5.50 136 113 A 15 LYS HBy A 15 LYS HEy 1.0 1.8 5.50 137 114 A 15 LYS H A 16 CYS H 1.0 1.8 3.11 138 115 A 15 LYS HA A 16 CYS H 1.0 1.8 3.01 139 116 A 3 LEU HG A 16 CYS H 1.0 1.8 4.75 140 117 A 15 LYS HBx A 16 CYS H 1.0 1.8 5.01 141 118 A 16 CYS H A 16 CYS HA 1.0 1.8 2.92 142 119 A 16 CYS H A 16 CYS HBx 1.0 1.8 2.67 143 120 A 16 CYS HA A 16 CYS HBy 1.0 1.8 2.84 144 121 A 16 CYS HA A 17 CYS H 1.0 1.8 2.55 145 122 A 16 CYS HBy A 17 CYS H 1.0 1.8 3.03 146 123 A 16 CYS HBx A 17 CYS H 1.0 1.8 3.61 147 124 A 17 CYS H A 17 CYS HA 1.0 1.8 2.87 148 125 A 17 CYS H A 17 CYS HBy 1.0 1.8 3.69 149 126 A 17 CYS H A 17 CYS HBx 1.0 1.8 2.60 150 127 A 17 CYS HA A 17 CYS HBy 1.0 1.8 2.73 151 128 A 17 CYS HA A 18 SER H 1.0 1.8 2.55 152 129 A 17 CYS HBy A 18 SER H 1.0 1.8 2.55 153 130 A 17 CYS HBx A 18 SER H 1.0 1.8 3.83 154 131 A 17 CYS H A 18 SER H 1.0 1.8 4.63 155 132 A 18 SER H A 18 SER HA 1.0 1.8 2.79 156 133 A 18 SER H A 18 SER HBx 1.0 1.8 2.42 157 133 A 18 SER H A 18 SER HBy 1.0 1.8 2.42 158 134 A 18 SER HA A 18 SER HBx 1.0 1.8 2.75 159 134 A 18 SER HA A 18 SER HBy 1.0 1.8 2.75 160 135 A 18 SER HA A 19 GLY H 1.0 1.8 2.40 161 136 A 19 GLY H A 18 SER HBx 1.0 1.8 3.76 162 136 A 18 SER HBy A 19 GLY H 1.0 1.8 3.76 163 137 A 19 GLY H A 20 LEU H 1.0 1.8 3.07 164 138 A 20 LEU H A 20 LEU HBy 1.0 1.8 2.96 165 139 A 20 LEU H A 20 LEU HBx 1.0 1.8 2.80 166 140 A 20 LEU H A 20 LEU HDx% 1.0 1.8 3.95 167 141 A 20 LEU H A 20 LEU HDy% 1.0 1.8 4.53 168 142 A 20 LEU HA A 20 LEU HG 1.0 1.8 2.88 169 143 A 20 LEU HDx% A 20 LEU HA 1.0 1.8 2.57 170 144 A 20 LEU HDy% A 20 LEU HA 1.0 1.8 3.91 171 145 A 20 LEU HA A 21 LYS H 1.0 1.8 2.41 172 146 A 20 LEU HBy A 21 LYS H 1.0 1.8 3.89 173 147 A 20 LEU HBx A 21 LYS H 1.0 1.8 5.50 174 148 A 20 LEU HG A 21 LYS H 1.0 1.8 2.71 175 149 A 20 LEU HDx% A 21 LYS H 1.0 1.8 3.73 176 150 A 20 LEU HDy% A 21 LYS H 1.0 1.8 4.41 177 151 A 21 LYS H A 21 LYS HBx 1.0 1.8 3.32 178 152 A 21 LYS H A 21 LYS HBy 1.0 1.8 3.32 179 153 A 21 LYS H A 21 LYS HGx 1.0 1.8 4.34 180 153 A 21 LYS H A 21 LYS HGy 1.0 1.8 4.34 181 154 A 21 LYS HA A 21 LYS HEx 1.0 1.8 5.50 182 154 A 21 LYS HA A 21 LYS HEy 1.0 1.8 5.50 183 155 A 21 LYS HA A 21 LYS HGx 1.0 1.8 3.06 184 155 A 21 LYS HGy A 21 LYS HA 1.0 1.8 3.06 185 156 A 21 LYS HA A 21 LYS HDx 1.0 1.8 4.70 186 156 A 21 LYS HA A 21 LYS HDy 1.0 1.8 4.70 187 157 A 22 CYS H A 21 LYS HBx 1.0 1.8 4.16 188 158 A 22 CYS H A 21 LYS HBy 1.0 1.8 4.16 189 159 A 22 CYS H A 21 LYS HGx 1.0 1.8 2.99 190 159 A 21 LYS HGy A 22 CYS H 1.0 1.8 2.99 191 160 A 21 LYS HA A 22 CYS H 1.0 1.8 2.57 192 161 A 22 CYS H A 22 CYS HBx 1.0 1.8 2.98 193 162 A 22 CYS H A 22 CYS HBy 1.0 1.8 2.98 194 163 A 22 CYS HA A 23 GLY H 1.0 1.8 2.40 195 164 A 24 SER H A 23 GLY HAx 1.0 1.8 2.86 196 165 A 24 SER H A 23 GLY HAy 1.0 1.8 2.86 197 166 A 24 SER H A 24 SER HBx 1.0 1.8 3.83 198 167 A 24 SER H A 24 SER HBy 1.0 1.8 3.83 199 168 A 24 SER HA A 24 SER HBx 1.0 1.8 2.84 200 169 A 24 SER HA A 24 SER HBy 1.0 1.8 2.84 201 170 A 25 ASN H A 24 SER HBx 1.0 1.8 4.31 202 171 A 25 ASN H A 25 ASN HBx 1.0 1.8 3.62 203 171 A 25 ASN H A 25 ASN HBy 1.0 1.8 3.62 204 172 A 25 ASN HA A 25 ASN HBx 1.0 1.8 2.61 205 172 A 25 ASN HBy A 25 ASN HA 1.0 1.8 2.61 206 173 A 26 HIS H A 25 ASN HBx 1.0 1.8 4.67 207 173 A 25 ASN HBy A 26 HIS H 1.0 1.8 4.67 208 174 A 26 HIS HD2 A 26 HIS HBx 1.0 1.8 3.73 209 175 A 26 HIS HD2 A 26 HIS HBy 1.0 1.8 3.73 210 176 A 26 HIS HA A 27 ASN H 1.0 1.8 3.01 211 177 A 27 ASN H A 27 ASN HBy 1.0 1.8 3.81 212 178 A 27 ASN H A 27 ASN HBx 1.0 1.8 3.21 213 179 A 27 ASN HBx A 27 ASN HD2x 1.0 1.8 3.27 214 180 A 27 ASN HBx A 27 ASN HD2y 1.0 1.8 3.76 215 181 A 27 ASN HBy A 27 ASN HA 1.0 1.8 2.67 216 182 A 27 ASN HA A 28 TRP H 1.0 1.8 2.89 217 183 A 27 ASN HBy A 28 TRP H 1.0 1.8 4.72 218 184 A 28 TRP H A 28 TRP HBx 1.0 1.8 4.06 219 185 A 28 TRP H A 28 TRP HBy 1.0 1.8 3.64 220 186 A 28 TRP HBx A 28 TRP HA 1.0 1.8 2.56 221 187 A 28 TRP HBy A 28 TRP HA 1.0 1.8 2.68 222 188 A 28 TRP HBx A 28 TRP HD1 1.0 1.8 3.56 223 189 A 28 TRP HBx A 28 TRP HE3 1.0 1.8 3.46 224 190 A 28 TRP HBy A 28 TRP HE3 1.0 1.8 3.01 225 191 A 28 TRP HA A 29 CYS H 1.0 1.8 2.70 226 192 A 28 TRP HBx A 29 CYS H 1.0 1.8 3.14 227 193 A 28 TRP HBy A 29 CYS H 1.0 1.8 3.55 228 194 A 29 CYS H A 29 CYS HBx 1.0 1.8 2.65 229 195 A 29 CYS H A 29 CYS HBy 1.0 1.8 3.67 230 196 A 29 CYS HBy A 29 CYS HA 1.0 1.8 3.01 231 197 A 29 CYS HA A 30 LYS H 1.0 1.8 2.40 232 198 A 29 CYS HBx A 30 LYS H 1.0 1.8 5.00 233 199 A 29 CYS HBy A 30 LYS H 1.0 1.8 3.69 234 200 A 30 LYS H A 30 LYS HBx 1.0 1.8 3.06 235 201 A 30 LYS H A 30 LYS HBy 1.0 1.8 3.91 236 202 A 30 LYS H A 30 LYS HGx 1.0 1.8 3.09 237 202 A 30 LYS H A 30 LYS HGy 1.0 1.8 3.09 238 203 A 30 LYS HA A 30 LYS HDx 1.0 1.8 4.87 239 203 A 30 LYS HA A 30 LYS HDy 1.0 1.8 4.87 240 204 A 30 LYS HA A 30 LYS HEx 1.0 1.8 4.69 241 204 A 30 LYS HA A 30 LYS HEy 1.0 1.8 4.69 242 205 A 30 LYS HBx A 30 LYS HEx 1.0 1.8 5.50 243 205 A 30 LYS HBx A 30 LYS HEy 1.0 1.8 5.50 244 206 A 3 LEU HBx A 16 CYS HBy 1.0 1.8 5.50 245 207 A 30 LYS HBy A 30 LYS HEx 1.0 1.8 5.50 246 207 A 30 LYS HBy A 30 LYS HEy 1.0 1.8 5.50 247 208 A 30 LYS HA A 31 LEU H 1.0 1.8 3.44 248 209 A 30 LYS HBx A 31 LEU H 1.0 1.8 3.63 249 210 A 30 LYS HBy A 31 LEU H 1.0 1.8 2.93 250 211 A 31 LEU H A 30 LYS HGx 1.0 1.8 4.20 251 211 A 30 LYS HGy A 31 LEU H 1.0 1.8 4.20 252 212 A 31 LEU HBx A 31 LEU H 1.0 1.8 2.54 253 213 A 31 LEU H A 31 LEU HBy 1.0 1.8 3.77 254 214 A 20 LEU HDx% A 31 LEU H 1.0 1.8 3.96 255 215 A 31 LEU H A 31 LEU HDx% 1.0 1.8 4.26 256 216 A 31 LEU H A 31 LEU HDy% 1.0 1.8 4.26 257 217 A 31 LEU HBy A 31 LEU HA 1.0 1.8 2.85 258 218 A 20 LEU HDx% A 31 LEU HA 1.0 1.8 2.51 259 219 A 32 HIS H A 31 LEU HA 1.0 1.8 2.40 260 220 A 32 HIS H A 20 LEU HDx% 1.0 1.8 3.79 261 221 A 32 HIS H A 32 HIS HBx 1.0 1.8 3.06 262 222 A 32 HIS H A 32 HIS HBy 1.0 1.8 3.06 263 223 A 28 TRP HZ2 A 30 LYS HEx 1.0 1.8 4.36 264 223 A 30 LYS HEy A 28 TRP HZ2 1.0 1.8 4.36 265 224 A 32 HIS HA A 33 LEU H 1.0 1.8 2.61 266 225 A 33 LEU H A 32 HIS HBx 1.0 1.8 4.61 267 226 A 33 LEU H A 32 HIS HBy 1.0 1.8 4.61 268 227 A 33 LEU H A 33 LEU HDx% 1.0 1.8 5.21 269 228 A 33 LEU H A 33 LEU HDy% 1.0 1.8 5.21 270 229 A 33 LEU HA A 33 LEU HDx% 1.0 1.8 5.04 271 230 A 33 LEU HA A 33 LEU HDy% 1.0 1.8 5.04 272 231 A 10 ASN HA A 11 PRO HDx 1.0 1.8 2.54 273 232 A 10 ASN HA A 11 PRO HDy 1.0 1.8 2.54 274 233 A 4 LYS HBx A 7 TRP HE1 1.0 1.8 3.24 275 234 A 4 LYS HBy A 7 TRP HE1 1.0 1.8 4.00 276 235 A 28 TRP HE1 A 30 LYS HGx 1.0 1.8 3.80 277 235 A 30 LYS HGy A 28 TRP HE1 1.0 1.8 3.80 278 236 A 28 TRP HE1 A 30 LYS HEx 1.0 1.8 4.00 279 236 A 30 LYS HEy A 28 TRP HE1 1.0 1.8 4.00 280 237 A 3 LEU H A 17 CYS H 1.0 1.8 3.65 281 238 A 21 LYS H A 30 LYS H 1.0 1.8 3.69 282 239 A 21 LYS H A 29 CYS HBy 1.0 1.8 4.70 283 240 A 14 ASP HBy A 16 CYS H 1.0 1.8 4.09 284 241 A 3 LEU HBx A 16 CYS H 1.0 1.8 4.73 285 242 A 17 CYS H A 20 LEU HDy% 1.0 1.8 3.17 286 243 A 3 LEU HDx% A 10 ASN H 1.0 1.8 4.28 287 244 A 6 GLY H A 20 LEU HDy% 1.0 1.8 3.93 288 245 A 6 GLY H A 29 CYS HBy 1.0 1.8 3.77 289 246 A 6 GLY H A 29 CYS HBx 1.0 1.8 3.07 290 247 A 3 LEU H A 15 LYS HBy 1.0 1.8 4.33 291 248 A 32 HIS H A 20 LEU HA 1.0 1.8 3.13 292 249 A 22 CYS HA A 30 LYS H 1.0 1.8 3.48 293 250 A 21 LYS H A 31 LEU HA 1.0 1.8 4.50 294 251 A 10 ASN HA A 12 ARG H 1.0 1.8 4.54 295 252 A 4 LYS H A 7 TRP HE3 1.0 1.8 3.33 296 253 A 3 LEU HA A 7 TRP HE3 1.0 1.8 2.86 297 254 A 27 ASN HD2x A 27 ASN HA 1.0 1.8 2.95 298 255 A 3 LEU HDy% A 7 TRP HE3 1.0 1.8 2.51 299 256 A 3 LEU HBy A 7 TRP HE3 1.0 1.8 3.17 300 257 A 3 LEU HBx A 7 TRP HE3 1.0 1.8 4.65 301 258 A 12 ARG H A 12 ARG HDx 1.0 1.8 4.47 302 258 A 12 ARG H A 12 ARG HDy 1.0 1.8 4.47 303 259 A 23 GLY H A 30 LYS H 1.0 1.8 4.16 304 260 A 7 TRP H A 29 CYS H 1.0 1.8 3.63 305 261 A 7 TRP H A 7 TRP HD1 1.0 1.8 3.47 306 262 A 3 LEU HDx% A 16 CYS H 1.0 1.8 3.71 307 263 A 17 CYS H A 20 LEU HG 1.0 1.8 5.08 308 264 A 17 CYS H A 20 LEU HBy 1.0 1.8 3.69 309 265 A 2 CYS HBx A 17 CYS H 1.0 1.8 3.19 310 266 A 2 CYS HBy A 17 CYS H 1.0 1.8 4.57 311 267 A 14 ASP HA A 16 CYS H 1.0 1.8 3.88 312 268 A 9 CYS H A 28 TRP HA 1.0 1.8 3.49 313 269 A 7 TRP HD1 A 7 TRP HA 1.0 1.8 2.77 314 270 A 3 LEU HA A 7 TRP HZ3 1.0 1.8 3.70 315 271 A 3 LEU HBy A 7 TRP HZ3 1.0 1.8 5.30 316 272 A 7 TRP HZ2 A 4 LYS HDx 1.0 1.8 3.55 317 272 A 4 LYS HDy A 7 TRP HZ2 1.0 1.8 3.55 318 273 A 3 LEU HDy% A 7 TRP HZ3 1.0 1.8 3.61 319 274 A 28 TRP HD1 A 30 LYS HDx 1.0 1.8 4.01 320 274 A 28 TRP HD1 A 30 LYS HDy 1.0 1.8 4.01 321 275 A 28 TRP HD1 A 26 HIS HBy 1.0 1.8 3.99 322 276 A 28 TRP HD1 A 30 LYS HGx 1.0 1.8 3.38 323 276 A 28 TRP HD1 A 30 LYS HGy 1.0 1.8 3.38 324 277 A 8 LYS HA A 28 TRP HA 1.0 1.8 2.57 325 278 A 20 LEU HA A 31 LEU HA 1.0 1.8 2.88 326 279 A 4 LYS H A 7 TRP HBx 1.0 1.8 3.57 327 280 A 27 ASN HD2y A 27 ASN HA 1.0 1.8 3.72 328 281 A 3 LEU HG A 7 TRP HE3 1.0 1.8 4.46 329 282 A 5 PHE HD% A 20 LEU HDx% 1.0 1.8 2.65 330 283 A 5 PHE HD% A 20 LEU HDy% 1.0 1.8 3.48 331 284 A 14 ASP H A 14 ASP HBy 1.0 1.8 2.70 332 285 A 31 LEU H A 31 LEU HG 1.0 1.8 4.09 333 286 A 4 LYS HBx A 7 TRP HD1 1.0 1.8 3.27 334 287 A 5 PHE HA A 5 PHE HD% 1.0 1.8 2.98 335 288 A 28 TRP HD1 A 26 HIS HBx 1.0 1.8 3.99 336 289 A 31 LEU HBx A 5 PHE HE% 1.0 1.8 4.27 337 290 A 20 LEU HDx% A 5 PHE HE% 1.0 1.8 3.81 338 291 A 3 LEU HDx% A 15 LYS H 1.0 1.8 3.38 339 292 A 28 TRP HZ2 A 30 LYS HGx 1.0 1.8 4.56 340 292 A 30 LYS HGy A 28 TRP HZ2 1.0 1.8 4.56 341 293 A 7 TRP H A 29 CYS HBx 1.0 1.8 3.01 342 294 A 18 SER HA A 20 LEU H 1.0 1.8 3.69 343 295 A 5 PHE HA A 7 TRP H 1.0 1.8 3.95 344 296 A 7 TRP H A 29 CYS HBy 1.0 1.8 3.95 345 297 A 3 LEU H A 16 CYS HA 1.0 1.8 2.84 346 298 A 2 CYS HBy A 17 CYS HA 1.0 1.8 3.26 347 299 A 2 CYS HBx A 17 CYS HA 1.0 1.8 2.76 348 300 A 3 LEU HG A 16 CYS HA 1.0 1.8 3.49 349 301 A 3 LEU HBx A 16 CYS HA 1.0 1.8 2.42 350 302 A 5 PHE HA A 20 LEU HDx% 1.0 1.8 2.91 351 303 A 5 PHE HA A 20 LEU HDy% 1.0 1.8 2.40 352 304 A 16 CYS HBy A 20 LEU HG 1.0 1.8 3.40 353 305 A 16 CYS HBy A 20 LEU HBy 1.0 1.8 2.52 354 306 A 2 CYS H A 1 ASP HBx 1.0 1.8 3.15 355 306 A 2 CYS H A 1 ASP HBy 1.0 1.8 3.15 356 307 A 5 PHE H A 5 PHE HBx 1.0 1.8 2.32 357 307 A 5 PHE H A 5 PHE HBy 1.0 1.8 2.32 358 308 A 6 GLY H A 5 PHE HBx 1.0 1.8 4.34 359 308 A 6 GLY H A 5 PHE HBy 1.0 1.8 4.34 360 309 A 5 PHE HE% A 31 LEU HDy% 1.0 1.8 3.91 361 309 A 5 PHE HE% A 31 LEU HDx% 1.0 1.8 3.91 362 310 A 5 PHE HZ A 31 LEU HDy% 1.0 1.8 4.00 363 310 A 5 PHE HZ A 31 LEU HDx% 1.0 1.8 4.00 364 311 A 6 GLY H A 6 GLY HAy 1.0 1.8 2.55 365 311 A 6 GLY H A 6 GLY HAx 1.0 1.8 2.55 366 312 A 7 TRP H A 6 GLY HAy 1.0 1.8 3.08 367 312 A 7 TRP H A 6 GLY HAx 1.0 1.8 3.08 368 313 A 7 TRP HD1 A 6 GLY HAy 1.0 1.8 4.05 369 313 A 7 TRP HD1 A 6 GLY HAx 1.0 1.8 4.05 370 314 A 8 LYS H A 8 LYS HBy 1.0 1.8 2.78 371 314 A 8 LYS H A 8 LYS HBx 1.0 1.8 2.78 372 315 A 9 CYS H A 8 LYS HBy 1.0 1.8 3.64 373 315 A 9 CYS H A 8 LYS HBx 1.0 1.8 3.64 374 316 A 10 ASN HA A 11 PRO HDy 1.0 1.8 2.20 375 316 A 10 ASN HA A 11 PRO HDx 1.0 1.8 2.20 376 317 A 10 ASN HBy A 12 ARG HGx 1.0 1.8 5.34 377 317 A 10 ASN HBy A 12 ARG HGy 1.0 1.8 5.34 378 318 A 12 ARG H A 12 ARG HGx 1.0 1.8 3.25 379 318 A 12 ARG H A 12 ARG HGy 1.0 1.8 3.25 380 319 A 13 ASN H A 13 ASN HBx 1.0 1.8 3.17 381 319 A 13 ASN H A 13 ASN HBy 1.0 1.8 3.17 382 320 A 13 ASN HD2x A 13 ASN HBx 1.0 1.8 2.90 383 320 A 13 ASN HD2x A 13 ASN HBy 1.0 1.8 2.90 384 321 A 13 ASN HD2y A 13 ASN HBx 1.0 1.8 3.45 385 321 A 13 ASN HBy A 13 ASN HD2y 1.0 1.8 3.45 386 322 A 14 ASP H A 13 ASN HBx 1.0 1.8 4.39 387 322 A 14 ASP H A 13 ASN HBy 1.0 1.8 4.39 388 323 A 19 GLY H A 19 GLY HAy 1.0 1.8 2.43 389 323 A 19 GLY H A 19 GLY HAx 1.0 1.8 2.43 390 324 A 20 LEU H A 19 GLY HAy 1.0 1.8 3.01 391 324 A 20 LEU H A 19 GLY HAx 1.0 1.8 3.01 392 325 A 20 LEU HA A 32 HIS HBy 1.0 1.8 3.83 393 325 A 20 LEU HA A 32 HIS HBx 1.0 1.8 3.83 394 326 A 20 LEU HDx% A 31 LEU HDy% 1.0 1.8 5.44 395 326 A 20 LEU HDx% A 31 LEU HDx% 1.0 1.8 5.44 396 327 A 21 LYS H A 32 HIS HBy 1.0 1.8 3.96 397 327 A 21 LYS H A 32 HIS HBx 1.0 1.8 3.96 398 328 A 21 LYS HA A 32 HIS HBy 1.0 1.8 5.34 399 328 A 21 LYS HA A 32 HIS HBx 1.0 1.8 5.34 400 329 A 22 CYS H A 21 LYS HBy 1.0 1.8 3.43 401 329 A 22 CYS H A 21 LYS HBx 1.0 1.8 3.43 402 330 A 22 CYS H A 22 CYS HBy 1.0 1.8 2.44 403 330 A 22 CYS H A 22 CYS HBx 1.0 1.8 2.44 404 331 A 22 CYS HA A 22 CYS HBy 1.0 1.8 2.55 405 331 A 22 CYS HA A 22 CYS HBx 1.0 1.8 2.55 406 332 A 23 GLY H A 22 CYS HBy 1.0 1.8 4.15 407 332 A 23 GLY H A 22 CYS HBx 1.0 1.8 4.15 408 333 A 23 GLY H A 23 GLY HAx 1.0 1.8 2.43 409 333 A 23 GLY H A 23 GLY HAy 1.0 1.8 2.43 410 334 A 24 SER H A 24 SER HBy 1.0 1.8 3.01 411 334 A 24 SER H A 24 SER HBx 1.0 1.8 3.01 412 335 A 24 SER HA A 24 SER HBy 1.0 1.8 2.44 413 335 A 24 SER HA A 24 SER HBx 1.0 1.8 2.44 414 336 A 25 ASN H A 24 SER HBy 1.0 1.8 3.68 415 336 A 25 ASN H A 24 SER HBx 1.0 1.8 3.68 416 337 A 25 ASN HBx A 25 ASN HD2x 1.0 1.8 3.08 417 337 A 25 ASN HBy A 25 ASN HD2x 1.0 1.8 3.08 418 337 A 25 ASN HD2y A 25 ASN HBx 1.0 1.8 3.08 419 337 A 25 ASN HBy A 25 ASN HD2y 1.0 1.8 3.08 420 338 A 26 HIS H A 26 HIS HBy 1.0 1.8 3.67 421 338 A 26 HIS H A 26 HIS HBx 1.0 1.8 3.67 422 339 A 26 HIS HD2 A 26 HIS HBy 1.0 1.8 3.02 423 339 A 26 HIS HD2 A 26 HIS HBx 1.0 1.8 3.02 424 340 A 28 TRP HD1 A 26 HIS HBy 1.0 1.8 3.48 425 340 A 28 TRP HD1 A 26 HIS HBx 1.0 1.8 3.48 426 341 A 28 TRP HE1 A 26 HIS HBy 1.0 1.8 3.44 427 341 A 28 TRP HE1 A 26 HIS HBx 1.0 1.8 3.44 428 342 A 31 LEU H A 31 LEU HDy% 1.0 1.8 3.70 429 342 A 31 LEU H A 31 LEU HDx% 1.0 1.8 3.70 430 343 A 31 LEU HA A 31 LEU HDy% 1.0 1.8 2.75 431 343 A 31 LEU HA A 31 LEU HDx% 1.0 1.8 2.75 432 344 A 32 HIS H A 31 LEU HDy% 1.0 1.8 3.62 433 344 A 32 HIS H A 31 LEU HDx% 1.0 1.8 3.62 434 345 A 32 HIS HD2 A 32 HIS HBy 1.0 1.8 3.31 435 345 A 32 HIS HBx A 32 HIS HD2 1.0 1.8 3.31 436 346 A 33 LEU H A 32 HIS HBy 1.0 1.8 3.87 437 346 A 33 LEU H A 32 HIS HBx 1.0 1.8 3.87 438 347 A 33 LEU H A 33 LEU HBx 1.0 1.8 2.79 439 347 A 33 LEU H A 33 LEU HBy 1.0 1.8 2.79 440 348 A 33 LEU H A 33 LEU HDy% 1.0 1.8 4.49 441 348 A 33 LEU H A 33 LEU HDx% 1.0 1.8 4.49 442 349 A 33 LEU HA A 33 LEU HDy% 1.0 1.8 3.87 443 349 A 33 LEU HA A 33 LEU HDx% 1.0 1.8 3.87 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 LEU H A 15 LYS O 1.0 1.6 2.3 2 2 A 15 LYS O A 3 LEU N 1.0 1.8 3.3 3 3 A 6 GLY H A 29 CYS O 1.0 1.6 2.3 4 4 A 29 CYS O A 6 GLY N 1.0 1.8 3.3 5 5 A 7 TRP H A 4 LYS O 1.0 1.6 2.3 6 6 A 4 LYS O A 7 TRP N 1.0 1.8 3.3 7 7 A 9 CYS H A 27 ASN O 1.0 1.6 2.3 8 8 A 27 ASN O A 9 CYS N 1.0 1.8 3.3 9 9 A 13 ASN H A 10 ASN O 1.0 1.6 2.3 10 10 A 10 ASN O A 13 ASN N 1.0 1.8 3.3 11 11 A 16 CYS H A 14 ASP OD2 1.0 1.6 2.3 12 11 A 16 CYS H A 14 ASP OD1 1.0 1.6 2.3 13 12 A 14 ASP OD2 A 16 CYS N 1.0 1.8 3.3 14 12 A 14 ASP OD1 A 16 CYS N 1.0 1.8 3.3 15 13 A 17 CYS H A 3 LEU O 1.0 1.6 2.3 16 14 A 3 LEU O A 17 CYS N 1.0 1.8 3.3 17 15 A 20 LEU H A 17 CYS O 1.0 1.6 2.3 18 16 A 17 CYS O A 20 LEU N 1.0 1.8 3.3 19 17 A 22 CYS H A 14 ASP OD2 1.0 1.6 2.3 20 17 A 22 CYS H A 14 ASP OD1 1.0 1.6 2.3 21 18 A 14 ASP OD2 A 22 CYS N 1.0 1.8 3.3 22 18 A 14 ASP OD1 A 22 CYS N 1.0 1.8 3.3 23 19 A 29 CYS H A 7 TRP O 1.0 1.6 2.3 24 20 A 7 TRP O A 29 CYS N 1.0 1.8 3.3 25 21 A 30 LYS H A 21 LYS O 1.0 1.6 2.3 26 22 A 21 LYS O A 30 LYS N 1.0 1.8 3.3 27 23 A 32 HIS H A 19 GLY O 1.0 1.6 2.3 28 24 A 19 GLY O A 32 HIS N 1.0 1.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 ASP C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -90.0 -30.0 PHI 2 2 A 2 CYS C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -180.0 -20.0 PHI 3 3 A 3 LEU C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -150.0 -90.0 PHI 4 4 A 4 LYS C A 5 PHE N A 5 PHE CA A 5 PHE C 1.0 -90.0 -30.0 PHI 5 5 A 7 TRP C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -90.0 -30.0 PHI 6 6 A 8 LYS C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -180.0 -20.0 PHI 7 7 A 9 CYS C A 10 ASN N A 10 ASN CA A 10 ASN C 1.0 -180.0 -20.0 PHI 8 8 A 13 ASN C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -180.0 -20.0 PHI 9 9 A 14 ASP C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -180.0 -20.0 PHI 10 10 A 15 LYS C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -90.0 -30.0 PHI 11 11 A 16 CYS C A 17 CYS N A 17 CYS CA A 17 CYS C 1.0 -90.0 -30.0 PHI 12 12 A 17 CYS C A 18 SER N A 18 SER CA A 18 SER C 1.0 -90.0 -30.0 PHI 13 13 A 19 GLY C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -150.0 -90.0 PHI 14 14 A 20 LEU C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -150.0 -90.0 PHI 15 15 A 26 HIS C A 27 ASN N A 27 ASN CA A 27 ASN C 1.0 -180.0 -20.0 PHI 16 16 A 27 ASN C A 28 TRP N A 28 TRP CA A 28 TRP C 1.0 -150.0 -90.0 PHI 17 17 A 28 TRP C A 29 CYS N A 29 CYS CA A 29 CYS C 1.0 -180.0 -20.0 PHI 18 18 A 29 CYS C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -150.0 -90.0 PHI 19 19 A 31 LEU C A 32 HIS N A 32 HIS CA A 32 HIS C 1.0 -180.0 -20.0 PHI 20 20 A 2 CYS N A 2 CYS CA A 2 CYS CB A 2 CYS SG 1.0 30.0 90.0 CHI1 21 21 A 3 LEU N A 3 LEU CA A 3 LEU CB A 3 LEU CG 1.0 -90.0 -30.0 CHI1 22 22 A 4 LYS N A 4 LYS CA A 4 LYS CB A 4 LYS CG 1.0 -90.0 -30.0 CHI1 23 23 A 5 PHE N A 5 PHE CA A 5 PHE CB A 5 PHE CG 1.0 150.0 210.0 CHI1 24 24 A 7 TRP N A 7 TRP CA A 7 TRP CB A 7 TRP CG 1.0 -90.0 -30.0 CHI1 25 25 A 9 CYS N A 9 CYS CA A 9 CYS CB A 9 CYS SG 1.0 30.0 90.0 CHI1 26 26 A 10 ASN N A 10 ASN CA A 10 ASN CB A 10 ASN CG 1.0 -90.0 -30.0 CHI1 27 27 A 12 ARG N A 12 ARG CA A 12 ARG CB A 12 ARG CG 1.0 -90.0 -30.0 CHI1 28 28 A 14 ASP N A 14 ASP CA A 14 ASP CB A 14 ASP CG 1.0 150.0 210.0 CHI1 29 29 A 15 LYS N A 15 LYS CA A 15 LYS CB A 15 LYS CG 1.0 -90.0 -30.0 CHI1 30 30 A 20 LEU N A 20 LEU CA A 20 LEU CB A 20 LEU CG 1.0 150.0 210.0 CHI1 31 31 A 17 CYS N A 17 CYS CA A 17 CYS CB A 17 CYS SG 1.0 -90.0 -30.0 CHI1 32 32 A 22 CYS N A 22 CYS CA A 22 CYS CB A 22 CYS SG 1.0 150.0 210.0 CHI1 33 33 A 24 SER N A 24 SER CA A 24 SER CB A 24 SER OG 1.0 30.0 90.0 CHI1 34 34 A 29 CYS N A 29 CYS CA A 29 CYS CB A 29 CYS SG 1.0 -90.0 -30.0 CHI1 35 35 A 31 LEU N A 31 LEU CA A 31 LEU CB A 31 LEU CG 1.0 -90.0 -30.0 CHI1 36 36 A 28 TRP N A 28 TRP CA A 28 TRP CB A 28 TRP CG 1.0 30.0 90.0 CHI1 37 37 A 28 TRP CA A 28 TRP CB A 28 TRP CG A 28 TRP CD1 1.0 30.0 90.0 CHI2 stop_ save_