data_nef_c18766_2lzo 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 7 CYS SG 1 19 CYS SG 1 10 CYS SG 1 26 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 ILE start . . 2 A 2 SER middle . . 3 A 3 ILE middle . . 4 A 4 ASP middle . . 5 A 5 PRO middle . false 6 A 6 PRO middle . false 7 A 7 CYS middle -HG . 8 A 8 ARG middle . . 9 A 9 PHE middle . . 10 A 10 CYS middle -HG . 11 A 11 TYR middle . . 12 A 12 HIS middle . . 13 A 13 ARG middle . . 14 A 14 ASP middle . . 15 A 15 GLY middle . false 16 A 16 SER middle . . 17 A 17 GLY middle . false 18 A 18 ASN middle . . 19 A 19 CYS middle -HG . 20 A 20 VAL middle . . 21 A 21 TYR middle . . 22 A 22 ASP middle . . 23 A 23 ALA middle . . 24 A 24 TYR middle . . 25 A 25 GLY middle . false 26 A 26 CYS middle -HG . 27 A 27 GLY middle . false 28 A 28 ALA middle . . 29 A 29 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 ILE HA H 1 3.927 0.01 A 1 ILE HB H 1 1.986 0.01 A 1 ILE HD1% H 1 0.925 0.01 A 1 ILE HG1y H 1 1.502 0.01 A 1 ILE HG1x H 1 1.246 0.01 A 1 ILE HG2% H 1 1.002 0.01 A 1 ILE CA C 13 59.931 0.1 A 1 ILE CB C 13 38.458 0.1 A 1 ILE CD1 C 13 12.584 0.1 A 1 ILE CG1 C 13 26.107 0.1 A 1 ILE CG2 C 13 16.074 0.1 A 2 SER H H 1 8.641 0.01 A 2 SER HA H 1 4.613 0.01 A 2 SER HB2 H 1 3.846 0.01 A 2 SER HB3 H 1 3.846 0.01 A 2 SER CA C 13 57.815 0.1 A 2 SER CB C 13 63.213 0.1 A 3 ILE H H 1 8.297 0.01 A 3 ILE HA H 1 4.245 0.01 A 3 ILE HB H 1 1.878 0.01 A 3 ILE HD1% H 1 0.851 0.01 A 3 ILE HG1y H 1 1.429 0.01 A 3 ILE HG1x H 1 1.167 0.01 A 3 ILE HG2% H 1 0.897 0.01 A 3 ILE CA C 13 60.112 0.1 A 3 ILE CB C 13 38.386 0.1 A 3 ILE CD1 C 13 12.352 0.1 A 3 ILE CG1 C 13 26.358 0.1 A 3 ILE CG2 C 13 16.872 0.1 A 4 ASP H H 1 8.392 0.01 A 4 ASP HA H 1 4.906 0.01 A 4 ASP HBy H 1 2.653 0.01 A 4 ASP HBx H 1 2.479 0.01 A 4 ASP CA C 13 51.791 0.1 A 4 ASP CB C 13 39.326 0.1 A 5 PRO HA H 1 4.695 0.01 A 5 PRO HBx H 1 1.910 0.01 A 5 PRO HBy H 1 2.361 0.01 A 5 PRO HDy H 1 3.887 0.01 A 5 PRO HDx H 1 3.651 0.01 A 5 PRO HG2 H 1 2.033 0.01 A 5 PRO HG3 H 1 2.033 0.01 A 5 PRO CB C 13 30.108 0.1 A 5 PRO CD C 13 49.976 0.1 A 5 PRO CG C 13 26.627 0.1 A 6 PRO HA H 1 4.480 0.01 A 6 PRO HBy H 1 2.352 0.01 A 6 PRO HBx H 1 1.976 0.01 A 6 PRO HDy H 1 3.814 0.01 A 6 PRO HDx H 1 3.645 0.01 A 6 PRO HG2 H 1 2.047 0.01 A 6 PRO HG3 H 1 2.047 0.01 A 6 PRO CA C 13 62.336 0.1 A 6 PRO CB C 13 31.657 0.1 A 6 PRO CD C 13 49.740 0.1 A 6 PRO CG C 13 26.647 0.1 A 7 CYS H H 1 8.431 0.01 A 7 CYS HA H 1 4.705 0.01 A 7 CYS HBy H 1 3.158 0.01 A 7 CYS HBx H 1 2.589 0.01 A 7 CYS CB C 13 39.087 0.1 A 8 ARG H H 1 8.371 0.01 A 8 ARG HA H 1 4.232 0.01 A 8 ARG HBy H 1 1.810 0.01 A 8 ARG HBx H 1 1.585 0.01 A 8 ARG HDx H 1 2.912 0.01 A 8 ARG HDy H 1 2.968 0.01 A 8 ARG HE H 1 6.907 0.01 A 8 ARG HGy H 1 1.568 0.01 A 8 ARG HGx H 1 1.498 0.01 A 8 ARG CA C 13 55.382 0.1 A 8 ARG CB C 13 30.646 0.1 A 8 ARG CD C 13 42.859 0.1 A 8 ARG CG C 13 26.404 0.1 A 9 PHE H H 1 8.304 0.01 A 9 PHE HA H 1 4.411 0.01 A 9 PHE HBy H 1 3.331 0.01 A 9 PHE HBx H 1 2.931 0.01 A 9 PHE HD1 H 1 7.372 0.01 A 9 PHE HD2 H 1 7.372 0.01 A 9 PHE HE1 H 1 7.451 0.01 A 9 PHE HE2 H 1 7.451 0.01 A 9 PHE CA C 13 59.128 0.1 A 9 PHE CB C 13 38.668 0.1 A 9 PHE CD2 C 13 131.5 0.1 A 9 PHE CE2 C 13 131.14 0.1 A 10 CYS H H 1 8.564 0.01 A 10 CYS HA H 1 3.756 0.01 A 10 CYS HBy H 1 3.496 0.01 A 10 CYS HBx H 1 2.897 0.01 A 10 CYS CA C 13 59.059 0.1 A 10 CYS CB C 13 41.365 0.1 A 11 TYR H H 1 8.239 0.01 A 11 TYR HA H 1 5.100 0.01 A 11 TYR HBy H 1 3.305 0.01 A 11 TYR HBx H 1 2.331 0.01 A 11 TYR HD1 H 1 6.845 0.01 A 11 TYR HD2 H 1 6.845 0.01 A 11 TYR HE1 H 1 6.831 0.01 A 11 TYR HE2 H 1 6.831 0.01 A 11 TYR CA C 13 55.859 0.1 A 11 TYR CB C 13 40.631 0.1 A 11 TYR CD1 C 13 132.72 0.1 A 11 TYR CE1 C 13 117.17 0.1 A 12 HIS H H 1 9.283 0.01 A 12 HIS HA H 1 5.033 0.01 A 12 HIS HB2 H 1 3.243 0.01 A 12 HIS HB3 H 1 3.243 0.01 A 12 HIS HD2 H 1 7.032 0.01 A 12 HIS HE1 H 1 8.539 0.01 A 12 HIS CA C 13 53.614 0.1 A 12 HIS CB C 13 30.712 0.1 A 12 HIS CD2 C 13 119.31 0.1 A 12 HIS CE1 C 13 135.37 0.1 A 13 ARG H H 1 8.941 0.01 A 13 ARG HA H 1 4.786 0.01 A 13 ARG HBy H 1 1.860 0.01 A 13 ARG HBx H 1 1.709 0.01 A 13 ARG HDy H 1 3.059 0.01 A 13 ARG HDx H 1 3.035 0.01 A 13 ARG HE H 1 7.061 0.01 A 13 ARG HG2 H 1 1.671 0.01 A 13 ARG HG3 H 1 1.671 0.01 A 13 ARG CA C 13 55.281 0.1 A 13 ARG CB C 13 30.102 0.1 A 13 ARG CD C 13 42.523 0.1 A 13 ARG CG C 13 27.133 0.1 A 14 ASP H H 1 8.831 0.01 A 14 ASP HA H 1 4.861 0.01 A 14 ASP HBy H 1 3.326 0.01 A 14 ASP HBx H 1 2.670 0.01 A 14 ASP CA C 13 51.413 0.1 A 14 ASP CB C 13 40.823 0.1 A 15 GLY H H 1 8.668 0.01 A 15 GLY HA2 H 1 3.958 0.01 A 15 GLY HA3 H 1 3.958 0.01 A 15 GLY CA C 13 46.021 0.1 A 16 SER H H 1 8.231 0.01 A 16 SER HA H 1 4.614 0.01 A 16 SER HB2 H 1 3.993 0.01 A 16 SER HB3 H 1 3.993 0.01 A 16 SER CA C 13 57.346 0.1 A 16 SER CB C 13 63.633 0.1 A 17 GLY H H 1 8.096 0.01 A 17 GLY HAy H 1 4.341 0.01 A 17 GLY HAx H 1 3.623 0.01 A 17 GLY CA C 13 44.566 0.1 A 18 ASN H H 1 8.317 0.01 A 18 ASN HA H 1 4.853 0.01 A 18 ASN HBy H 1 2.681 0.01 A 18 ASN HBx H 1 2.598 0.01 A 18 ASN HD2y H 1 8.068 0.01 A 18 ASN HD2x H 1 6.992 0.01 A 18 ASN CA C 13 51.746 0.1 A 18 ASN CB C 13 39.290 0.1 A 19 CYS H H 1 8.872 0.01 A 19 CYS HA H 1 4.819 0.01 A 19 CYS HBy H 1 2.891 0.01 A 19 CYS HBx H 1 2.733 0.01 A 19 CYS CB C 13 40.248 0.1 A 20 VAL H H 1 9.428 0.01 A 20 VAL HA H 1 4.694 0.01 A 20 VAL HB H 1 2.039 0.01 A 20 VAL HGx% H 1 0.915 0.01 A 20 VAL HGy% H 1 0.717 0.01 A 20 VAL CB C 13 34.426 0.1 A 20 VAL CG1 C 13 20.701 0.1 A 20 VAL CG2 C 13 18.693 0.1 A 21 TYR H H 1 8.524 0.01 A 21 TYR HA H 1 3.337 0.01 A 21 TYR HBy H 1 2.600 0.01 A 21 TYR HBx H 1 2.550 0.01 A 21 TYR HD1 H 1 6.530 0.01 A 21 TYR HD2 H 1 6.530 0.01 A 21 TYR HE1 H 1 6.674 0.01 A 21 TYR HE2 H 1 6.674 0.01 A 21 TYR CA C 13 57.848 0.1 A 21 TYR CB C 13 38.105 0.1 A 21 TYR CD1 C 13 132.23 0.1 A 21 TYR CE1 C 13 117.37 0.1 A 22 ASP H H 1 7.968 0.01 A 22 ASP HA H 1 4.233 0.01 A 22 ASP HBy H 1 2.446 0.01 A 22 ASP HBx H 1 2.329 0.01 A 22 ASP CA C 13 52.191 0.1 A 22 ASP CB C 13 38.045 0.1 A 23 ALA H H 1 7.706 0.01 A 23 ALA HA H 1 3.788 0.01 A 23 ALA HB% H 1 1.209 0.01 A 23 ALA CA C 13 53.421 0.1 A 23 ALA CB C 13 18.083 0.1 A 24 TYR H H 1 7.843 0.01 A 24 TYR HA H 1 4.441 0.01 A 24 TYR HBy H 1 3.082 0.01 A 24 TYR HBx H 1 2.923 0.01 A 24 TYR HD1 H 1 7.096 0.01 A 24 TYR HD2 H 1 7.096 0.01 A 24 TYR HE1 H 1 6.790 0.01 A 24 TYR HE2 H 1 6.790 0.01 A 24 TYR CA C 13 57.291 0.1 A 24 TYR CB C 13 36.979 0.1 A 24 TYR CD2 C 13 132.68 0.1 A 24 TYR CE2 C 13 117.50 0.1 A 25 GLY H H 1 7.747 0.01 A 25 GLY HAy H 1 4.049 0.01 A 25 GLY HAx H 1 3.717 0.01 A 25 GLY CA C 13 44.568 0.1 A 26 CYS H H 1 8.091 0.01 A 26 CYS HA H 1 4.688 0.01 A 26 CYS HB2 H 1 2.941 0.01 A 26 CYS HB3 H 1 2.941 0.01 A 26 CYS CB C 13 40.284 0.1 A 27 GLY H H 1 8.546 0.01 A 27 GLY HAx H 1 3.925 0.01 A 27 GLY HAy H 1 4.002 0.01 A 27 GLY CA C 13 44.754 0.1 A 28 ALA H H 1 8.016 0.01 A 28 ALA HA H 1 4.413 0.01 A 28 ALA HB% H 1 1.353 0.01 A 28 ALA CA C 13 51.750 0.1 A 28 ALA CB C 13 18.606 0.1 A 29 VAL H H 1 7.697 0.01 A 29 VAL HA H 1 4.046 0.01 A 29 VAL HB H 1 2.040 0.01 A 29 VAL HG1% H 1 0.825 0.01 A 29 VAL HG2% H 1 0.825 0.01 A 29 VAL CA C 13 62.579 0.1 A 29 VAL CB C 13 32.613 0.1 A 29 VAL CG1 C 13 19.323 0.1 A 29 VAL CG2 C 13 20.801 0.1 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 16 SER H A 15 GLY HA2 1.0 . 3.10 2 1 A 15 GLY HA3 A 16 SER H 1.0 . 3.10 3 2 A 15 GLY H A 15 GLY HA2 1.0 . 2.40 4 2 A 15 GLY HA3 A 15 GLY H 1.0 . 2.40 5 3 A 8 ARG H A 8 ARG HGx 1.0 . 3.03 6 4 A 16 SER H A 17 GLY H 1.0 . 2.41 7 5 A 11 TYR HD% A 12 HIS H 1.0 . 3.63 8 6 A 12 HIS H A 12 HIS HA 1.0 . 3.20 9 7 A 12 HIS HA A 7 CYS HBy 1.0 . 3.43 10 8 A 12 HIS HA A 13 ARG H 1.0 . 2.60 11 9 A 12 HIS HA A 12 HIS HB2 1.0 . 2.40 12 9 A 12 HIS HA A 12 HIS HB3 1.0 . 2.40 13 10 A 12 HIS HA A 7 CYS HBx 1.0 . 3.83 14 11 A 28 ALA HA A 29 VAL H 1.0 . 3.02 15 12 A 28 ALA HA A 28 ALA H 1.0 . 3.32 16 13 A 28 ALA HA A 28 ALA HB% 1.0 . 2.80 17 14 A 12 HIS H A 12 HIS HD2 1.0 . 3.90 18 15 A 13 ARG H A 12 HIS HD2 1.0 . 4.12 19 16 A 24 TYR H A 24 TYR HA 1.0 . 2.97 20 17 A 24 TYR HA A 24 TYR HBx 1.0 . 2.91 21 18 A 24 TYR HA A 25 GLY H 1.0 . 3.09 22 19 A 24 TYR HA A 24 TYR HD% 1.0 . 3.20 23 20 A 24 TYR HA A 24 TYR HBy 1.0 . 2.99 24 21 A 12 HIS HE1 A 23 ALA H 1.0 . 3.83 25 22 A 28 ALA H A 27 GLY H 1.0 . 3.28 26 23 A 27 GLY H A 26 CYS H 1.0 . 2.98 27 24 A 9 PHE HD% A 10 CYS H 1.0 . 3.38 28 25 A 10 CYS H A 11 TYR H 1.0 . 2.67 29 26 A 11 TYR HE% A 21 TYR HBy 1.0 . 2.94 30 27 A 21 TYR HBy A 21 TYR HD% 1.0 . 2.73 31 28 A 21 TYR HBy A 21 TYR H 1.0 . 2.60 32 29 A 8 ARG H A 8 ARG HBy 1.0 . 2.51 33 30 A 11 TYR HD% A 8 ARG HBy 1.0 . 2.73 34 31 A 8 ARG HBy A 9 PHE H 1.0 . 3.93 35 32 A 4 ASP HA A 4 ASP HBx 1.0 . 3.43 36 33 A 4 ASP HA A 5 PRO HDx 1.0 . 2.69 37 34 A 4 ASP HA A 5 PRO HDy 1.0 . 2.58 38 35 A 4 ASP HA A 4 ASP H 1.0 . 3.31 39 36 A 15 GLY H A 14 ASP HA 1.0 . 2.80 40 37 A 14 ASP HA A 14 ASP H 1.0 . 3.20 41 38 A 14 ASP HA A 14 ASP HBy 1.0 . 2.64 42 39 A 17 GLY HAx A 18 ASN H 1.0 . 3.69 43 40 A 17 GLY H A 17 GLY HAx 1.0 . 2.86 44 41 A 6 PRO HBx A 7 CYS H 1.0 . 3.36 45 42 A 18 ASN HA A 19 CYS H 1.0 . 2.46 46 43 A 18 ASN H A 18 ASN HA 1.0 . 3.20 47 44 A 1 ILE HA A 2 SER H 1.0 . 3.13 48 45 A 8 ARG H A 7 CYS HBy 1.0 . 3.79 49 46 A 7 CYS HBy A 7 CYS H 1.0 . 2.77 50 47 A 4 ASP HBx A 4 ASP H 1.0 . 2.89 51 48 A 3 ILE HA A 3 ILE HB 1.0 . 3.70 52 49 A 3 ILE HA A 3 ILE HG2% 1.0 . 3.56 53 50 A 4 ASP H A 3 ILE HA 1.0 . 2.57 54 51 A 2 SER H A 2 SER HA 1.0 . 3.94 55 52 A 2 SER HA A 3 ILE H 1.0 . 2.75 56 53 A 12 HIS H A 11 TYR HA 1.0 . 2.63 57 54 A 11 TYR H A 11 TYR HA 1.0 . 3.27 58 55 A 11 TYR HA A 20 VAL H 1.0 . 4.53 59 56 A 11 TYR HD% A 11 TYR HA 1.0 . 3.16 60 57 A 11 TYR HA A 21 TYR HA 1.0 . 2.73 61 58 A 11 TYR HA A 11 TYR HBx 1.0 . 2.93 62 59 A 11 TYR HA A 22 ASP H 1.0 . 2.87 63 60 A 12 HIS H A 11 TYR HBy 1.0 . 3.62 64 61 A 8 ARG H A 11 TYR HBy 1.0 . 3.25 65 62 A 11 TYR H A 11 TYR HBy 1.0 . 2.67 66 63 A 11 TYR HD% A 11 TYR HBy 1.0 . 2.46 67 64 A 10 CYS H A 9 PHE HBy 1.0 . 4.48 68 65 A 9 PHE HD% A 9 PHE HBy 1.0 . 2.79 69 66 A 9 PHE H A 9 PHE HBy 1.0 . 2.56 70 67 A 24 TYR H A 25 GLY H 1.0 . 2.58 71 68 A 24 TYR H A 24 TYR HD% 1.0 . 3.57 72 69 A 24 TYR H A 23 ALA H 1.0 . 2.71 73 70 A 13 ARG H A 13 ARG HBy 1.0 . 2.75 74 71 A 11 TYR HD% A 11 TYR H 1.0 . 2.94 75 72 A 24 TYR H A 24 TYR HBx 1.0 . 3.80 76 73 A 24 TYR HBx A 25 GLY H 1.0 . 3.98 77 74 A 24 TYR HBx A 24 TYR HD% 1.0 . 2.76 78 75 A 25 GLY H A 25 GLY HAy 1.0 . 2.86 79 76 A 26 CYS H A 25 GLY HAy 1.0 . 2.84 80 77 A 12 HIS H A 20 VAL HGy% 1.0 . 3.90 81 78 A 12 HIS HD2 A 20 VAL HGy% 1.0 . 3.55 82 79 A 12 HIS HE1 A 20 VAL HGy% 1.0 . 3.44 83 80 A 20 VAL H A 20 VAL HGy% 1.0 . 2.91 84 81 A 20 VAL HGy% A 20 VAL HB 1.0 . 2.69 85 82 A 21 TYR H A 20 VAL HGy% 1.0 . 3.78 86 83 A 14 ASP H A 20 VAL HGy% 1.0 . 3.81 87 84 A 20 VAL HGy% A 14 ASP HBx 1.0 . 2.86 88 85 A 12 HIS H A 20 VAL H 1.0 . 2.77 89 86 A 11 TYR HD% A 20 VAL H 1.0 . 3.54 90 87 A 20 VAL H A 19 CYS HBx 1.0 . 3.71 91 88 A 11 TYR HD% A 19 CYS HBx 1.0 . 2.82 92 89 A 19 CYS H A 19 CYS HBx 1.0 . 3.91 93 90 A 11 TYR HBx A 19 CYS HBx 1.0 . 2.66 94 91 A 13 ARG H A 13 ARG HBx 1.0 . 3.84 95 92 A 14 ASP H A 13 ARG HBx 1.0 . 4.13 96 93 A 20 VAL H A 20 VAL HB 1.0 . 3.97 97 94 A 21 TYR H A 20 VAL HB 1.0 . 2.86 98 95 A 16 SER H A 15 GLY H 1.0 . 2.89 99 96 A 8 ARG H A 8 ARG HBx 1.0 . 3.72 100 97 A 9 PHE H A 8 ARG HBx 1.0 . 2.95 101 98 A 2 SER H A 2 SER HB2 1.0 . 3.98 102 98 A 2 SER H A 2 SER HB3 1.0 . 3.98 103 99 A 6 PRO HBx A 6 PRO HA 1.0 . 3.29 104 100 A 6 PRO HA A 6 PRO HBy 1.0 . 2.81 105 101 A 7 CYS H A 6 PRO HA 1.0 . 2.48 106 102 A 6 PRO HA A 6 PRO HG2 1.0 . 3.34 107 102 A 6 PRO HA A 6 PRO HG3 1.0 . 3.34 108 103 A 7 CYS H A 6 PRO HBy 1.0 . 3.60 109 104 A 26 CYS H A 26 CYS HB2 1.0 . 2.68 110 104 A 26 CYS H A 26 CYS HB3 1.0 . 2.68 111 105 A 24 TYR H A 23 ALA HA 1.0 . 3.32 112 106 A 23 ALA H A 23 ALA HA 1.0 . 3.06 113 107 A 23 ALA HA A 21 TYR HE% 1.0 . 3.14 114 108 A 8 ARG H A 7 CYS HA 1.0 . 2.53 115 109 A 7 CYS HBy A 7 CYS HA 1.0 . 3.23 116 110 A 7 CYS H A 7 CYS HA 1.0 . 3.17 117 111 A 7 CYS HBx A 7 CYS HA 1.0 . 3.01 118 112 A 18 ASN HBx A 20 VAL HGx% 1.0 . 3.35 119 113 A 20 VAL H A 20 VAL HGx% 1.0 . 3.55 120 114 A 19 CYS H A 20 VAL HGx% 1.0 . 4.58 121 115 A 21 TYR H A 20 VAL HGx% 1.0 . 3.65 122 116 A 14 ASP H A 20 VAL HGx% 1.0 . 4.51 123 117 A 14 ASP HBx A 20 VAL HGx% 1.0 . 3.02 124 118 A 11 TYR HE% A 21 TYR HD% 1.0 . 2.67 125 119 A 4 ASP HBx A 4 ASP HBy 1.0 . 2.40 126 120 A 4 ASP H A 4 ASP HBy 1.0 . 3.54 127 121 A 12 HIS H A 19 CYS HA 1.0 . 3.88 128 122 A 20 VAL HGy% A 19 CYS HA 1.0 . 3.41 129 123 A 20 VAL HGy% A 13 ARG HA 1.0 . 0.00 130 124 A 20 VAL H A 19 CYS HA 1.0 . 2.40 131 125 A 19 CYS HBx A 19 CYS HA 1.0 . 2.93 132 126 A 19 CYS HA A 19 CYS HBy 1.0 . 3.27 133 127 A 17 GLY HAy A 13 ARG HG2 1.0 . 3.17 134 127 A 13 ARG HG3 A 17 GLY HAy 1.0 . 3.17 135 128 A 17 GLY HAx A 17 GLY HAy 1.0 . 2.40 136 129 A 17 GLY HAy A 13 ARG HDy 1.0 . 3.07 137 129 A 17 GLY HAy A 13 ARG HDx 1.0 . 3.07 138 130 A 18 ASN H A 17 GLY HAy 1.0 . 3.62 139 131 A 17 GLY H A 17 GLY HAy 1.0 . 2.54 140 132 A 12 HIS HE1 A 22 ASP HA 1.0 . 3.06 141 133 A 12 HIS HE1 A 8 ARG HA 1.0 . 0.00 142 134 A 24 TYR H A 22 ASP HA 1.0 . 4.11 143 135 A 23 ALA H A 22 ASP HA 1.0 . 2.54 144 136 A 22 ASP HA A 22 ASP HBx 1.0 . 3.02 145 137 A 22 ASP HA A 22 ASP HBy 1.0 . 3.11 146 138 A 22 ASP H A 22 ASP HA 1.0 . 3.18 147 139 A 5 PRO HDx A 5 PRO HG2 1.0 . 2.53 148 139 A 5 PRO HDx A 5 PRO HG3 1.0 . 2.53 149 140 A 5 PRO HDx A 4 ASP HBy 1.0 . 3.32 150 141 A 5 PRO HDx A 5 PRO HBy 1.0 . 3.10 151 142 A 5 PRO HDx A 5 PRO HBx 1.0 . 3.03 152 143 A 20 VAL HGy% A 20 VAL HA 1.0 . 3.35 153 144 A 20 VAL H A 20 VAL HA 1.0 . 3.36 154 145 A 11 TYR HD% A 20 VAL HA 1.0 . 2.73 155 146 A 21 TYR H A 20 VAL HA 1.0 . 2.44 156 147 A 24 TYR H A 22 ASP HBx 1.0 . 4.10 157 148 A 25 GLY H A 22 ASP HBx 1.0 . 4.06 158 149 A 22 ASP H A 22 ASP HBx 1.0 . 3.04 159 150 A 5 PRO HA A 5 PRO HG2 1.0 . 2.69 160 150 A 5 PRO HG3 A 5 PRO HA 1.0 . 2.69 161 151 A 5 PRO HA A 6 PRO HDy 1.0 . 2.58 162 152 A 5 PRO HBy A 5 PRO HA 1.0 . 2.72 163 153 A 5 PRO HBx A 5 PRO HA 1.0 . 3.24 164 154 A 5 PRO HA A 6 PRO HDx 1.0 . 2.70 165 155 A 6 PRO HBx A 6 PRO HDy 1.0 . 3.04 166 156 A 6 PRO HBy A 6 PRO HDy 1.0 . 3.24 167 157 A 6 PRO HDy A 6 PRO HG2 1.0 . 2.99 168 157 A 6 PRO HG3 A 6 PRO HDy 1.0 . 2.99 169 158 A 21 TYR HD% A 21 TYR HBx 1.0 . 2.67 170 159 A 21 TYR H A 21 TYR HBx 1.0 . 2.64 171 160 A 24 TYR H A 24 TYR HBy 1.0 . 2.83 172 161 A 24 TYR HBx A 24 TYR HBy 1.0 . 2.40 173 162 A 25 GLY H A 24 TYR HBy 1.0 . 3.70 174 163 A 24 TYR HD% A 24 TYR HBy 1.0 . 2.86 175 164 A 27 GLY H A 27 GLY HAx 1.0 . 2.87 176 165 A 28 ALA H A 27 GLY HAx 1.0 . 3.19 177 166 A 27 GLY H A 26 CYS HA 1.0 . 2.92 178 167 A 26 CYS HA A 26 CYS HB2 1.0 . 2.56 179 167 A 26 CYS HB3 A 26 CYS HA 1.0 . 2.56 180 168 A 22 ASP HBx A 26 CYS HA 1.0 . 3.67 181 169 A 26 CYS H A 26 CYS HA 1.0 . 3.13 182 170 A 22 ASP H A 26 CYS HA 1.0 . 4.70 183 171 A 20 VAL H A 19 CYS HBy 1.0 . 4.55 184 172 A 19 CYS HBx A 19 CYS HBy 1.0 . 2.40 185 173 A 11 TYR HD% A 19 CYS HBy 1.0 . 2.88 186 174 A 19 CYS H A 19 CYS HBy 1.0 . 2.61 187 175 A 11 TYR HE% A 21 TYR H 1.0 . 2.90 188 175 A 11 TYR HD% A 21 TYR H 1.0 . 2.90 189 176 A 12 HIS H A 12 HIS HB2 1.0 . 3.38 190 176 A 12 HIS H A 12 HIS HB3 1.0 . 3.38 191 177 A 12 HIS HD2 A 12 HIS HB2 1.0 . 3.03 192 177 A 12 HIS HB3 A 12 HIS HD2 1.0 . 3.03 193 178 A 13 ARG H A 12 HIS HB2 1.0 . 2.67 194 178 A 13 ARG H A 12 HIS HB3 1.0 . 2.67 195 179 A 10 CYS H A 9 PHE HA 1.0 . 2.40 196 180 A 9 PHE HD% A 9 PHE HA 1.0 . 2.89 197 181 A 9 PHE HBy A 9 PHE HA 1.0 . 2.66 198 182 A 11 TYR H A 9 PHE HA 1.0 . 3.75 199 183 A 9 PHE H A 9 PHE HA 1.0 . 2.96 200 184 A 9 PHE HA A 9 PHE HBx 1.0 . 2.98 201 185 A 8 ARG H A 8 ARG HA 1.0 . 3.02 202 186 A 8 ARG HBy A 8 ARG HA 1.0 . 2.98 203 187 A 8 ARG HBx A 8 ARG HA 1.0 . 2.86 204 188 A 9 PHE H A 8 ARG HA 1.0 . 2.40 205 189 A 29 VAL H A 28 ALA H 1.0 . 3.34 206 190 A 29 VAL H A 29 VAL HG1% 1.0 . 3.65 207 190 A 29 VAL H A 29 VAL HG2% 1.0 . 3.65 208 191 A 21 TYR HD% A 21 TYR HA 1.0 . 2.86 209 192 A 21 TYR H A 21 TYR HA 1.0 . 3.21 210 193 A 21 TYR HA A 22 ASP H 1.0 . 2.45 211 194 A 25 GLY H A 26 CYS H 1.0 . 3.13 212 195 A 4 ASP H A 3 ILE HB 1.0 . 3.76 213 196 A 3 ILE HB A 3 ILE H 1.0 . 3.46 214 197 A 14 ASP H A 18 ASN H 1.0 . 3.16 215 198 A 17 GLY H A 14 ASP H 1.0 . 3.63 216 199 A 12 HIS H A 11 TYR HBx 1.0 . 2.97 217 200 A 11 TYR HBx A 11 TYR HBy 1.0 . 2.40 218 201 A 11 TYR H A 11 TYR HBx 1.0 . 5.50 219 202 A 20 VAL H A 11 TYR HBx 1.0 . 4.08 220 203 A 11 TYR HD% A 11 TYR HBx 1.0 . 2.44 221 204 A 24 TYR H A 23 ALA HB% 1.0 . 3.06 222 205 A 23 ALA HA A 23 ALA HB% 1.0 . 2.59 223 206 A 24 TYR HD% A 23 ALA HB% 1.0 . 3.78 224 207 A 23 ALA H A 23 ALA HB% 1.0 . 2.60 225 208 A 21 TYR HE% A 23 ALA HB% 1.0 . 3.31 226 209 A 21 TYR HD% A 23 ALA HB% 1.0 . 3.50 227 210 A 21 TYR HE% A 10 CYS HBy 1.0 . 3.18 228 211 A 15 GLY H A 14 ASP HBx 1.0 . 3.91 229 212 A 14 ASP H A 14 ASP HBx 1.0 . 3.03 230 213 A 8 ARG H A 7 CYS HBx 1.0 . 2.81 231 214 A 7 CYS HBy A 7 CYS HBx 1.0 . 2.40 232 215 A 7 CYS HBx A 11 TYR HBy 1.0 . 2.67 233 216 A 7 CYS HBx A 11 TYR H 1.0 . 3.98 234 217 A 7 CYS HBx A 19 CYS HBx 1.0 . 2.87 235 218 A 7 CYS HBx A 7 CYS H 1.0 . 3.41 236 219 A 7 CYS HBx A 19 CYS HBy 1.0 . 3.85 237 220 A 7 CYS HBx A 11 TYR HBx 1.0 . 2.92 238 221 A 10 CYS H A 9 PHE HBx 1.0 . 4.38 239 222 A 9 PHE HD% A 9 PHE HBx 1.0 . 2.46 240 223 A 9 PHE HBy A 9 PHE HBx 1.0 . 2.40 241 224 A 9 PHE H A 9 PHE HBx 1.0 . 2.58 242 225 A 10 CYS H A 10 CYS HBx 1.0 . 4.88 243 226 A 10 CYS HBx A 26 CYS HB2 1.0 . 2.97 244 226 A 26 CYS HB3 A 10 CYS HBx 1.0 . 2.97 245 227 A 21 TYR HE% A 10 CYS HBx 1.0 . 3.19 246 228 A 10 CYS HBy A 10 CYS HBx 1.0 . 2.40 247 229 A 10 CYS HBx A 10 CYS HA 1.0 . 2.88 248 230 A 22 ASP H A 10 CYS HBx 1.0 . 4.05 249 231 A 22 ASP HBx A 22 ASP HBy 1.0 . 2.40 250 232 A 11 TYR HBx A 19 CYS HBy 1.0 . 3.45 251 233 A 11 TYR HBx A 10 CYS HBy 1.0 . 0.00 252 234 A 22 ASP H A 22 ASP HBy 1.0 . 2.76 253 235 A 4 ASP H A 3 ILE HG2% 1.0 . 3.99 254 236 A 3 ILE HG2% A 3 ILE H 1.0 . 3.94 255 237 A 19 CYS H A 18 ASN HBy 1.0 . 4.51 256 238 A 18 ASN H A 18 ASN HBy 1.0 . 2.67 257 239 A 18 ASN HBy A 18 ASN HD2y 1.0 . 2.76 258 240 A 18 ASN HBy A 18 ASN HD2x 1.0 . 3.62 259 241 A 5 PRO HDy A 5 PRO HG2 1.0 . 2.77 260 241 A 5 PRO HDy A 5 PRO HG3 1.0 . 2.77 261 242 A 5 PRO HDx A 5 PRO HDy 1.0 . 2.40 262 243 A 5 PRO HDy A 5 PRO HBx 1.0 . 3.64 263 244 A 25 GLY HAy A 25 GLY HAx 1.0 . 2.40 264 245 A 25 GLY H A 25 GLY HAx 1.0 . 2.92 265 246 A 26 CYS H A 25 GLY HAx 1.0 . 3.65 266 247 A 17 GLY H A 18 ASN H 1.0 . 2.59 267 248 A 29 VAL H A 28 ALA HB% 1.0 . 3.70 268 249 A 28 ALA H A 28 ALA HB% 1.0 . 2.83 269 250 A 7 CYS HBy A 11 TYR H 1.0 . 4.10 270 251 A 19 CYS H A 18 ASN HBx 1.0 . 3.13 271 252 A 18 ASN H A 18 ASN HBx 1.0 . 3.96 272 253 A 18 ASN HBx A 18 ASN HD2y 1.0 . 3.62 273 254 A 18 ASN HBx A 18 ASN HD2x 1.0 . 4.02 274 255 A 13 ARG H A 13 ARG HA 1.0 . 3.21 275 256 A 14 ASP H A 13 ARG HA 1.0 . 2.44 276 257 A 18 ASN H A 13 ARG HA 1.0 . 4.11 277 258 A 16 SER H A 16 SER HB2 1.0 . 2.75 278 258 A 16 SER H A 16 SER HB3 1.0 . 2.75 279 259 A 18 ASN H A 16 SER HB2 1.0 . 3.31 280 259 A 18 ASN H A 16 SER HB3 1.0 . 3.31 281 260 A 17 GLY H A 16 SER HB2 1.0 . 3.09 282 260 A 17 GLY H A 16 SER HB3 1.0 . 3.09 283 261 A 3 ILE H A 3 ILE HG1y 1.0 . 4.07 284 262 A 3 ILE H A 3 ILE HG1x 1.0 . 3.70 285 263 A 27 GLY H A 27 GLY HAy 1.0 . 3.04 286 264 A 28 ALA H A 27 GLY HAy 1.0 . 3.22 287 265 A 18 ASN HD2y A 16 SER HB2 1.0 . 3.69 288 265 A 18 ASN HD2y A 16 SER HB3 1.0 . 3.69 289 266 A 18 ASN HD2y A 18 ASN HD2x 1.0 . 2.40 290 267 A 29 VAL H A 29 VAL HB 1.0 . 4.05 291 268 A 16 SER H A 16 SER HA 1.0 . 3.00 292 269 A 17 GLY H A 16 SER HA 1.0 . 3.46 293 270 A 16 SER HA A 16 SER HB2 1.0 . 2.61 294 270 A 16 SER HB3 A 16 SER HA 1.0 . 2.61 295 271 A 6 PRO HDy A 6 PRO HDx 1.0 . 2.40 296 272 A 14 ASP HBy A 20 VAL HGy% 1.0 . 3.51 297 273 A 11 TYR HBy A 19 CYS HBx 1.0 . 3.67 298 274 A 15 GLY H A 14 ASP HBy 1.0 . 2.43 299 275 A 14 ASP H A 14 ASP HBy 1.0 . 3.72 300 276 A 14 ASP HBy A 14 ASP HBx 1.0 . 2.40 301 277 A 10 CYS H A 10 CYS HA 1.0 . 2.40 302 278 A 11 TYR H A 10 CYS HA 1.0 . 3.27 303 279 A 10 CYS HA A 26 CYS HB2 1.0 . 2.87 304 279 A 26 CYS HB3 A 10 CYS HA 1.0 . 2.87 305 280 A 22 ASP H A 10 CYS HA 1.0 . 4.27 306 281 A 21 TYR HD% A 22 ASP H 1.0 . 3.40 stop_ save_