data_nef_c19846_2mm5 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 BMRB 19847 PDB 2MM5 PDB 2MM6 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 1 CYS SG 1 16 CYS SG 1 8 CYS SG 1 21 CYS SG 1 15 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 CYS start -HG . 2 A 2 VAL middle . . 3 A 3 PRO middle . false 4 A 4 GLN middle . . 5 A 5 TYR middle . . 6 A 6 GLY middle . false 7 A 7 VAL middle . . 8 A 8 CYS middle -HG . 9 A 9 ASP middle . . 10 A 10 GLY middle . false 11 A 11 ILE middle . . 12 A 12 ILE middle . . 13 A 13 ASN middle . . 14 A 14 GLN middle . . 15 A 15 CYS middle -HG . 16 A 16 CYS middle -HG . 17 A 17 ASP middle . . 18 A 18 PRO middle . true 19 A 19 TYR middle . . 20 A 20 TYR middle . . 21 A 21 CYS middle -HG . 22 A 22 SER middle . . 23 A 23 PRO middle . true 24 A 24 PRO middle . false 25 A 25 ILE middle . . 26 A 26 TYR middle . . 27 A 27 GLY middle . false 28 A 28 HIS middle . . 29 A 29 CYS middle -HG . 30 A 30 ILE 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 CYS HA H 1 4.657112 0.01 A 1 CYS HBx H 1 3.212137 0.01 A 1 CYS HBy H 1 3.212137 0.01 A 2 VAL H H 1 9.113529 0.01 A 2 VAL HA H 1 4.33449 0.01 A 2 VAL HB H 1 1.822172 0.01 A 2 VAL HGx% H 1 1.007557 0.01 A 2 VAL HGy% H 1 0.867801 0.01 A 3 PRO HA H 1 4.418785 0.01 A 3 PRO HBy H 1 2.238741 0.01 A 3 PRO HBx H 1 1.779947 0.01 A 3 PRO HDy H 1 3.882062 0.01 A 3 PRO HDx H 1 3.758874 0.01 A 3 PRO HGx H 1 1.987439 0.01 A 3 PRO HGy H 1 1.987439 0.01 A 4 GLN H H 1 7.6765 0.01 A 4 GLN HA H 1 2.659299 0.01 A 4 GLN HBy H 1 0.62764 0.01 A 4 GLN HBx H 1 0.383163 0.01 A 4 GLN HE2y H 1 6.654837 0.01 A 4 GLN HE2x H 1 6.517014 0.01 A 4 GLN HGy H 1 1.131437 0.01 A 4 GLN HGx H 1 0.445102 0.01 A 5 TYR H H 1 9.486537 0.01 A 5 TYR HA H 1 3.965873 0.01 A 5 TYR HBy H 1 3.322434 0.01 A 5 TYR HBx H 1 3.197035 0.01 A 5 TYR HDx H 1 6.928587 0.01 A 5 TYR HDy H 1 6.928587 0.01 A 5 TYR HEx H 1 6.660374 0.01 A 5 TYR HEy H 1 6.660374 0.01 A 6 GLY H H 1 8.519877 0.01 A 6 GLY HAx H 1 3.43192 0.01 A 6 GLY HAy H 1 4.205266 0.01 A 7 VAL H H 1 8.178022 0.01 A 7 VAL HA H 1 3.916605 0.01 A 7 VAL HB H 1 1.785654 0.01 A 7 VAL HGx% H 1 0.893126 0.01 A 7 VAL HGy% H 1 0.742584 0.01 A 8 CYS H H 1 8.016 0.01 A 8 CYS HA H 1 4.954011 0.01 A 8 CYS HBy H 1 3.220868 0.01 A 8 CYS HBx H 1 2.690314 0.01 A 9 ASP H H 1 8.509129 0.01 A 9 ASP HA H 1 4.779082 0.01 A 9 ASP HBy H 1 2.876094 0.01 A 9 ASP HBx H 1 2.827078 0.01 A 10 GLY H H 1 8.159513 0.01 A 10 GLY HAx H 1 3.909127 0.01 A 10 GLY HAy H 1 4.127834 0.01 A 11 ILE H H 1 8.263829 0.01 A 11 ILE HA H 1 4.158154 0.01 A 11 ILE HB H 1 1.844214 0.01 A 11 ILE HD1% H 1 0.830822 0.01 A 11 ILE HG1y H 1 1.380901 0.01 A 11 ILE HG1x H 1 1.175171 0.01 A 11 ILE HG2% H 1 0.89125 0.01 A 12 ILE H H 1 8.194918 0.01 A 12 ILE HA H 1 4.06811 0.01 A 12 ILE HB H 1 1.874873 0.01 A 12 ILE HD1% H 1 0.816519 0.01 A 12 ILE HG1y H 1 1.475515 0.01 A 12 ILE HG2% H 1 0.860297 0.01 A 13 ASN H H 1 8.524353 0.01 A 13 ASN HA H 1 4.806751 0.01 A 13 ASN HBy H 1 2.736983 0.01 A 13 ASN HBx H 1 2.663806 0.01 A 13 ASN HD2y H 1 7.665288 0.01 A 13 ASN HD2x H 1 6.921633 0.01 A 14 GLN H H 1 8.524303 0.01 A 14 GLN HA H 1 4.477997 0.01 A 14 GLN HBy H 1 2.110552 0.01 A 14 GLN HBx H 1 1.877043 0.01 A 14 GLN HE2y H 1 7.445108 0.01 A 14 GLN HE2x H 1 6.774846 0.01 A 14 GLN HGx H 1 2.253632 0.01 A 14 GLN HGy H 1 2.287399 0.01 A 15 CYS H H 1 8.73271 0.01 A 15 CYS HA H 1 4.857397 0.01 A 15 CYS HBx H 1 2.599489 0.01 A 15 CYS HBy H 1 2.74484 0.01 A 16 CYS H H 1 9.798045 0.01 A 16 CYS HA H 1 4.562463 0.01 A 16 CYS HBx H 1 2.565034 0.01 A 16 CYS HBy H 1 3.331243 0.01 A 17 ASP H H 1 8.784776 0.01 A 17 ASP HA H 1 4.655271 0.01 A 17 ASP HBx H 1 2.656485 0.01 A 17 ASP HBy H 1 2.656485 0.01 A 18 PRO HA H 1 4.650751 0.01 A 18 PRO HBy H 1 2.22679 0.01 A 18 PRO HBx H 1 0.708879 0.01 A 18 PRO HDx H 1 3.089062 0.01 A 18 PRO HDy H 1 3.089062 0.01 A 18 PRO HGx H 1 1.632659 0.01 A 18 PRO HGy H 1 1.726282 0.01 A 19 TYR H H 1 8.511658 0.01 A 19 TYR HA H 1 4.608373 0.01 A 19 TYR HBy H 1 2.91019 0.01 A 19 TYR HBx H 1 2.73531 0.01 A 19 TYR HDx H 1 6.898873 0.01 A 19 TYR HDy H 1 6.898873 0.01 A 19 TYR HEx H 1 6.663189 0.01 A 19 TYR HEy H 1 6.663189 0.01 A 20 TYR H H 1 8.477519 0.01 A 20 TYR HA H 1 4.857401 0.01 A 20 TYR HBx H 1 2.884591 0.01 A 20 TYR HBy H 1 2.939967 0.01 A 20 TYR HDx H 1 6.940599 0.01 A 20 TYR HDy H 1 6.940599 0.01 A 20 TYR HEx H 1 6.765463 0.01 A 20 TYR HEy H 1 6.765463 0.01 A 21 CYS H H 1 8.526831 0.01 A 21 CYS HA H 1 4.404837 0.01 A 21 CYS HBx H 1 2.885843 0.01 A 21 CYS HBy H 1 2.980968 0.01 A 22 SER H H 1 8.559075 0.01 A 22 SER HA H 1 4.657147 0.01 A 22 SER HBx H 1 3.567176 0.01 A 22 SER HBy H 1 3.728837 0.01 A 23 PRO HA H 1 5.081907 0.01 A 23 PRO HBy H 1 2.623086 0.01 A 23 PRO HBx H 1 2.004685 0.01 A 23 PRO HDy H 1 4.000854 0.01 A 23 PRO HDx H 1 3.7125 0.01 A 23 PRO HGx H 1 2.111516 0.01 A 23 PRO HGy H 1 2.199321 0.01 A 24 PRO HA H 1 3.959776 0.01 A 24 PRO HBy H 1 2.335769 0.01 A 24 PRO HBx H 1 1.842225 0.01 A 24 PRO HDx H 1 3.850837 0.01 A 24 PRO HDy H 1 3.850837 0.01 A 24 PRO HGx H 1 2.058888 0.01 A 24 PRO HGy H 1 2.103235 0.01 A 25 ILE H H 1 7.609485 0.01 A 25 ILE HA H 1 3.73748 0.01 A 25 ILE HB H 1 1.979255 0.01 A 25 ILE HD1% H 1 0.744929 0.01 A 25 ILE HG1x H 1 1.100636 0.01 A 25 ILE HG1y H 1 1.413078 0.01 A 25 ILE HG2% H 1 0.816146 0.01 A 26 TYR H H 1 7.325619 0.01 A 26 TYR HA H 1 4.723273 0.01 A 26 TYR HBy H 1 3.066554 0.01 A 26 TYR HBx H 1 2.894726 0.01 A 26 TYR HDx H 1 7.086009 0.01 A 26 TYR HDy H 1 7.086009 0.01 A 26 TYR HEx H 1 6.73919 0.01 A 26 TYR HEy H 1 6.73919 0.01 A 27 GLY H H 1 8.048243 0.01 A 27 GLY HAy H 1 4.239111 0.01 A 27 GLY HAx H 1 4.015409 0.01 A 28 HIS H H 1 8.125075 0.01 A 28 HIS HA H 1 5.593697 0.01 A 28 HIS HBx H 1 2.738527 0.01 A 28 HIS HBy H 1 2.800315 0.01 A 28 HIS HE1 H 1 7.208027 0.01 A 29 CYS H H 1 8.373203 0.01 A 29 CYS HA H 1 4.777675 0.01 A 29 CYS HBx H 1 2.41543 0.01 A 29 CYS HBy H 1 2.84689 0.01 A 30 ILE H H 1 9.158403 0.01 A 30 ILE HA H 1 4.528501 0.01 A 30 ILE HB H 1 1.916027 0.01 A 30 ILE HD1% H 1 0.807303 0.01 A 30 ILE HG1x H 1 0.966478 0.01 A 30 ILE HG2% H 1 0.843649 0.01 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 15 CYS HA A 1 CYS HBx 1.0 . 5.0 2 1 A 1 CYS HBy A 15 CYS HA 1.0 . 5.0 3 2 A 16 CYS H A 1 CYS HBx 1.0 . 5.0 4 2 A 1 CYS HBy A 16 CYS H 1.0 . 5.0 5 3 A 16 CYS HA A 1 CYS HBx 1.0 . 4.2 6 3 A 1 CYS HBy A 16 CYS HA 1.0 . 4.2 7 4 A 17 ASP H A 1 CYS HBx 1.0 . 5.0 8 4 A 1 CYS HBy A 17 ASP H 1.0 . 5.0 9 5 A 2 VAL H A 1 CYS HBx 1.0 . 5.5 10 5 A 1 CYS HBy A 2 VAL H 1.0 . 5.5 11 6 A 2 VAL HB A 1 CYS HBx 1.0 . 5.5 12 6 A 1 CYS HBy A 2 VAL HB 1.0 . 5.5 13 7 A 2 VAL HGx% A 1 CYS HBx 1.0 . 5.5 14 7 A 1 CYS HBy A 2 VAL HGx% 1.0 . 5.5 15 8 A 2 VAL HGy% A 1 CYS HBx 1.0 . 5.0 16 8 A 1 CYS HBy A 2 VAL HGy% 1.0 . 5.0 17 9 A 15 CYS HA A 2 VAL H 1.0 . 4.2 18 10 A 2 VAL H A 15 CYS HBx 1.0 . 5.5 19 11 A 16 CYS H A 2 VAL H 1.0 . 4.2 20 12 A 2 VAL H A 16 CYS HBy 1.0 . 5.5 21 13 A 2 VAL H A 1 CYS HA 1.0 . 3.4 22 14 A 2 VAL H A 1 CYS HBx 1.0 . 4.2 23 14 A 1 CYS HBy A 2 VAL H 1.0 . 4.2 24 15 A 2 VAL H A 2 VAL HA 1.0 . 4.2 25 16 A 2 VAL H A 3 PRO HDy 1.0 . 5.5 26 17 A 2 VAL H A 3 PRO HDx 1.0 . 5.5 27 18 A 2 VAL HA A 3 PRO HDy 1.0 . 4.2 28 19 A 2 VAL HA A 3 PRO HDx 1.0 . 4.2 29 20 A 2 VAL HA A 4 GLN H 1.0 . 5.5 30 21 A 15 CYS HA A 2 VAL HB 1.0 . 3.4 31 22 A 2 VAL HB A 15 CYS HBx 1.0 . 5.5 32 23 A 16 CYS H A 2 VAL HB 1.0 . 5.0 33 24 A 2 VAL HB A 1 CYS HA 1.0 . 5.5 34 25 A 2 VAL HB A 1 CYS HBx 1.0 . 5.5 35 25 A 1 CYS HBy A 2 VAL HB 1.0 . 5.5 36 26 A 2 VAL HB A 8 CYS HBx 1.0 . 5.5 37 27 A 2 VAL HGx% A 3 PRO HDy 1.0 . 5.0 38 28 A 2 VAL HGx% A 3 PRO HDx 1.0 . 4.2 39 29 A 2 VAL HGx% A 6 GLY H 1.0 . 5.0 40 30 A 2 VAL HGx% A 6 GLY HAx 1.0 . 5.0 41 31 A 2 VAL HGx% A 6 GLY HAy 1.0 . 4.2 42 32 A 2 VAL HGx% A 7 VAL H 1.0 . 5.5 43 33 A 4 GLN H A 3 PRO HA 1.0 . 4.2 44 34 A 2 VAL HA A 3 PRO HBy 1.0 . 5.5 45 35 A 4 GLN H A 3 PRO HBy 1.0 . 4.2 46 36 A 4 GLN H A 3 PRO HBx 1.0 . 5.5 47 37 A 2 VAL H A 3 PRO HDy 1.0 . 5.5 48 38 A 2 VAL HA A 3 PRO HDy 1.0 . 3.4 49 39 A 2 VAL HGx% A 3 PRO HDy 1.0 . 5.0 50 40 A 2 VAL HA A 3 PRO HDx 1.0 . 3.4 51 41 A 2 VAL HGx% A 3 PRO HDx 1.0 . 5.0 52 42 A 2 VAL HA A 3 PRO HGx 1.0 . 5.0 53 42 A 2 VAL HA A 3 PRO HGy 1.0 . 5.0 54 43 A 2 VAL HGx% A 3 PRO HGx 1.0 . 5.0 55 43 A 2 VAL HGx% A 3 PRO HGy 1.0 . 5.0 56 44 A 4 GLN H A 3 PRO HGx 1.0 . 4.2 57 44 A 4 GLN H A 3 PRO HGy 1.0 . 4.2 58 45 A 4 GLN H A 3 PRO HA 1.0 . 3.4 59 46 A 4 GLN H A 3 PRO HBy 1.0 . 4.2 60 47 A 4 GLN H A 3 PRO HBx 1.0 . 5.5 61 48 A 4 GLN H A 5 TYR H 1.0 . 5.0 62 49 A 4 GLN H A 6 GLY H 1.0 . 5.5 63 50 A 4 GLN HA A 29 CYS HBx 1.0 . 4.2 64 51 A 4 GLN HA A 29 CYS HBy 1.0 . 4.2 65 52 A 4 GLN HA A 4 GLN HBx 1.0 . 5.0 66 53 A 5 TYR H A 4 GLN HA 1.0 . 3.4 67 54 A 4 GLN HA A 5 TYR HA 1.0 . 5.0 68 55 A 4 GLN HBy A 30 ILE HA 1.0 . 4.2 69 56 A 5 TYR H A 4 GLN HBy 1.0 . 4.2 70 57 A 5 TYR H A 4 GLN HBx 1.0 . 4.2 71 58 A 4 GLN HBx A 5 TYR HD% 1.0 . 5.5 72 59 A 4 GLN HE2y A 30 ILE HD1% 1.0 . 4.2 73 60 A 30 ILE HA A 4 GLN HE2x 1.0 . 5.0 74 61 A 4 GLN HBx A 4 GLN HE2x 1.0 . 4.2 75 62 A 4 GLN HE2x A 4 GLN HGy 1.0 . 5.0 76 63 A 4 GLN HE2x A 4 GLN HGx 1.0 . 4.2 77 64 A 5 TYR H A 4 GLN HGx 1.0 . 5.0 78 65 A 19 TYR HE% A 4 GLN HGx 1.0 . 5.5 79 65 A 4 GLN HGy A 19 TYR HE% 1.0 . 5.5 80 66 A 5 TYR HD% A 4 GLN HGx 1.0 . 5.5 81 66 A 5 TYR HD% A 4 GLN HGy 1.0 . 5.5 82 67 A 5 TYR H A 28 HIS HBy 1.0 . 5.0 83 68 A 5 TYR H A 29 CYS H 1.0 . 4.2 84 69 A 5 TYR H A 29 CYS HBx 1.0 . 4.2 85 70 A 5 TYR H A 29 CYS HBy 1.0 . 4.2 86 71 A 2 VAL HGx% A 5 TYR H 1.0 . 5.5 87 72 A 5 TYR H A 30 ILE HA 1.0 . 5.0 88 73 A 5 TYR H A 30 ILE HD1% 1.0 . 5.0 89 74 A 4 GLN H A 5 TYR H 1.0 . 5.0 90 75 A 5 TYR H A 4 GLN HA 1.0 . 3.4 91 76 A 5 TYR H A 4 GLN HBy 1.0 . 4.2 92 77 A 5 TYR H A 4 GLN HBx 1.0 . 4.2 93 78 A 5 TYR H A 4 GLN HGx 1.0 . 5.0 94 79 A 5 TYR H A 4 GLN HGx 1.0 . 5.5 95 79 A 5 TYR H A 4 GLN HGy 1.0 . 5.5 96 80 A 5 TYR H A 5 TYR HA 1.0 . 3.4 97 81 A 6 GLY H A 5 TYR H 1.0 . 4.2 98 82 A 6 GLY HAy A 5 TYR H 1.0 . 5.5 99 83 A 5 TYR HA A 28 HIS HBx 1.0 . 5.5 100 84 A 5 TYR HA A 28 HIS HBy 1.0 . 5.0 101 85 A 5 TYR HA A 29 CYS H 1.0 . 5.5 102 86 A 4 GLN HA A 5 TYR HA 1.0 . 5.5 103 87 A 5 TYR H A 5 TYR HA 1.0 . 4.2 104 88 A 6 GLY H A 5 TYR HBy 1.0 . 5.5 105 89 A 30 ILE HA A 5 TYR HD% 1.0 . 5.5 106 90 A 5 TYR HD% A 30 ILE HD1% 1.0 . 5.0 107 91 A 5 TYR HD% A 30 ILE HG2% 1.0 . 5.0 108 92 A 4 GLN HBy A 5 TYR HD% 1.0 . 5.0 109 93 A 4 GLN HBx A 5 TYR HD% 1.0 . 5.0 110 94 A 5 TYR HD% A 4 GLN HGy 1.0 . 5.5 111 95 A 5 TYR HD% A 4 GLN HGx 1.0 . 5.0 112 96 A 30 ILE HG2% A 5 TYR HE% 1.0 . 5.0 113 97 A 5 TYR HE% A 4 GLN HGx 1.0 . 5.0 114 98 A 5 TYR HE% A 4 GLN HGx 1.0 . 5.0 115 98 A 4 GLN HGy A 5 TYR HE% 1.0 . 5.0 116 99 A 2 VAL HGx% A 6 GLY H 1.0 . 5.0 117 100 A 2 VAL HGy% A 6 GLY H 1.0 . 5.0 118 101 A 6 GLY H A 3 PRO HGx 1.0 . 5.0 119 101 A 6 GLY H A 3 PRO HGy 1.0 . 5.0 120 102 A 6 GLY H A 5 TYR H 1.0 . 4.2 121 103 A 6 GLY H A 5 TYR HA 1.0 . 4.2 122 104 A 6 GLY H A 5 TYR HBy 1.0 . 5.0 123 105 A 6 GLY H A 6 GLY HAx 1.0 . 4.2 124 106 A 6 GLY H A 6 GLY HAy 1.0 . 3.4 125 107 A 2 VAL HGx% A 6 GLY HAx 1.0 . 5.0 126 108 A 6 GLY HAx A 7 VAL H 1.0 . 4.2 127 109 A 2 VAL HA A 6 GLY HAy 1.0 . 5.5 128 110 A 6 GLY HAy A 3 PRO HGx 1.0 . 5.5 129 110 A 6 GLY HAy A 3 PRO HGy 1.0 . 5.5 130 111 A 6 GLY HAy A 5 TYR H 1.0 . 5.5 131 112 A 6 GLY HAy A 7 VAL H 1.0 . 4.2 132 113 A 6 GLY HAy A 7 VAL HGx% 1.0 . 5.5 133 114 A 7 VAL H A 28 HIS HE1 1.0 . 5.5 134 115 A 2 VAL HGx% A 7 VAL H 1.0 . 5.5 135 116 A 6 GLY HAx A 7 VAL H 1.0 . 3.4 136 117 A 6 GLY HAy A 7 VAL H 1.0 . 3.4 137 118 A 7 VAL H A 7 VAL HA 1.0 . 4.2 138 119 A 7 VAL HA A 28 HIS HA 1.0 . 4.2 139 120 A 28 HIS HE1 A 7 VAL HA 1.0 . 5.0 140 121 A 29 CYS H A 7 VAL HA 1.0 . 5.5 141 122 A 7 VAL H A 7 VAL HA 1.0 . 4.2 142 123 A 7 VAL HA A 8 CYS H 1.0 . 3.4 143 124 A 7 VAL HA A 8 CYS HA 1.0 . 5.5 144 125 A 6 GLY HAx A 7 VAL HB 1.0 . 5.0 145 126 A 8 CYS H A 7 VAL HB 1.0 . 5.0 146 127 A 8 CYS H A 7 VAL HGy% 1.0 . 5.5 147 128 A 28 HIS HA A 8 CYS H 1.0 . 4.2 148 129 A 29 CYS H A 8 CYS H 1.0 . 5.5 149 130 A 2 VAL HGx% A 8 CYS H 1.0 . 5.5 150 131 A 7 VAL H A 8 CYS H 1.0 . 5.0 151 132 A 7 VAL HA A 8 CYS H 1.0 . 3.4 152 133 A 8 CYS H A 7 VAL HB 1.0 . 5.0 153 134 A 7 VAL HGx% A 8 CYS H 1.0 . 5.0 154 135 A 8 CYS H A 7 VAL HGy% 1.0 . 4.2 155 136 A 8 CYS H A 8 CYS HA 1.0 . 4.2 156 137 A 8 CYS HA A 9 ASP H 1.0 . 5.0 157 138 A 8 CYS HBy A 10 GLY H 1.0 . 5.0 158 139 A 8 CYS HBy A 14 GLN HA 1.0 . 5.5 159 140 A 8 CYS HBy A 15 CYS H 1.0 . 5.5 160 141 A 8 CYS HBy A 21 CYS HBx 1.0 . 5.0 161 142 A 9 ASP H A 8 CYS HBy 1.0 . 4.2 162 143 A 15 CYS HA A 8 CYS HBx 1.0 . 5.5 163 144 A 8 CYS HBx A 21 CYS HBx 1.0 . 5.0 164 145 A 8 CYS HBx A 7 VAL HA 1.0 . 5.5 165 146 A 8 CYS HBx A 8 CYS HA 1.0 . 4.2 166 147 A 9 ASP H A 10 GLY H 1.0 . 4.2 167 148 A 8 CYS HA A 9 ASP H 1.0 . 3.4 168 149 A 9 ASP H A 8 CYS HBy 1.0 . 4.2 169 150 A 10 GLY H A 9 ASP HBy 1.0 . 4.2 170 151 A 9 ASP HBy A 10 GLY HAx 1.0 . 5.5 171 152 A 9 ASP HBy A 10 GLY HAy 1.0 . 5.5 172 153 A 9 ASP HBy A 25 ILE HD1% 1.0 . 5.0 173 154 A 9 ASP HBy A 25 ILE HG2% 1.0 . 5.5 174 155 A 9 ASP HBy A 27 GLY H 1.0 . 5.5 175 156 A 10 GLY H A 9 ASP HBx 1.0 . 4.2 176 157 A 25 ILE HD1% A 9 ASP HBx 1.0 . 5.5 177 158 A 9 ASP HBx A 26 TYR HA 1.0 . 5.5 178 159 A 9 ASP HBx A 26 TYR HD% 1.0 . 5.0 179 160 A 8 CYS HA A 9 ASP HBx 1.0 . 5.5 180 161 A 9 ASP H A 9 ASP HBx 1.0 . 4.2 181 162 A 10 GLY H A 10 GLY HAx 1.0 . 4.2 182 163 A 10 GLY H A 10 GLY HAy 1.0 . 3.4 183 164 A 10 GLY H A 11 ILE H 1.0 . 4.2 184 165 A 10 GLY H A 25 ILE HA 1.0 . 4.2 185 166 A 8 CYS HBy A 10 GLY H 1.0 . 5.0 186 167 A 9 ASP H A 10 GLY H 1.0 . 4.2 187 168 A 10 GLY H A 9 ASP HA 1.0 . 3.4 188 169 A 10 GLY H A 9 ASP HBy 1.0 . 4.2 189 170 A 10 GLY H A 9 ASP HBx 1.0 . 4.2 190 171 A 10 GLY HAx A 11 ILE H 1.0 . 5.0 191 172 A 10 GLY HAy A 11 ILE H 1.0 . 4.2 192 173 A 10 GLY H A 11 ILE H 1.0 . 4.2 193 174 A 10 GLY HAx A 11 ILE H 1.0 . 4.2 194 175 A 10 GLY HAy A 11 ILE H 1.0 . 4.2 195 176 A 11 ILE H A 11 ILE HA 1.0 . 4.2 196 177 A 11 ILE H A 12 ILE H 1.0 . 3.4 197 178 A 11 ILE H A 25 ILE HG1y 1.0 . 4.2 198 179 A 11 ILE HA A 12 ILE H 1.0 . 5.5 199 180 A 25 ILE HG1y A 11 ILE HB 1.0 . 4.2 200 181 A 12 ILE H A 11 ILE HG1y 1.0 . 5.5 201 182 A 12 ILE H A 11 ILE HG1x 1.0 . 5.0 202 183 A 11 ILE HG1x A 12 ILE HA 1.0 . 5.0 203 184 A 11 ILE HG1x A 12 ILE HB 1.0 . 5.0 204 185 A 11 ILE HG1x A 12 ILE HG1x 1.0 . 3.4 205 186 A 11 ILE HG1x A 12 ILE HD1% 1.0 . 4.2 206 187 A 12 ILE H A 11 ILE HG2% 1.0 . 4.2 207 188 A 11 ILE H A 12 ILE H 1.0 . 4.2 208 189 A 11 ILE HA A 12 ILE H 1.0 . 5.0 209 190 A 12 ILE H A 11 ILE HG1y 1.0 . 5.5 210 191 A 12 ILE H A 11 ILE HG1x 1.0 . 5.0 211 192 A 12 ILE H A 12 ILE HA 1.0 . 4.2 212 193 A 12 ILE H A 13 ASN H 1.0 . 4.2 213 194 A 12 ILE H A 13 ASN H 1.0 . 5.0 214 195 A 11 ILE HG1x A 12 ILE HA 1.0 . 5.0 215 196 A 12 ILE HA A 13 ASN H 1.0 . 4.2 216 197 A 11 ILE HG1x A 12 ILE HB 1.0 . 4.2 217 198 A 12 ILE HB A 13 ASN H 1.0 . 4.2 218 199 A 11 ILE HG1x A 12 ILE HG1x 1.0 . 3.4 219 200 A 12 ILE HG1x A 11 ILE HG2% 1.0 . 5.0 220 201 A 11 ILE HG1y A 12 ILE HD1% 1.0 . 4.2 221 202 A 11 ILE HG1x A 12 ILE HD1% 1.0 . 4.2 222 203 A 13 ASN H A 12 ILE HG2% 1.0 . 4.2 223 204 A 12 ILE HG2% A 13 ASN HA 1.0 . 5.0 224 205 A 12 ILE HG2% A 13 ASN HBy 1.0 . 5.0 225 206 A 12 ILE HG2% A 13 ASN HBx 1.0 . 4.2 226 207 A 11 ILE HA A 13 ASN H 1.0 . 5.5 227 208 A 11 ILE HG2% A 13 ASN H 1.0 . 5.0 228 209 A 12 ILE H A 13 ASN H 1.0 . 4.2 229 210 A 12 ILE HA A 13 ASN H 1.0 . 4.2 230 211 A 12 ILE HG1x A 13 ASN H 1.0 . 5.0 231 212 A 12 ILE HD1% A 13 ASN H 1.0 . 5.0 232 213 A 12 ILE HD1% A 13 ASN HBx 1.0 . 5.0 233 214 A 12 ILE HG2% A 13 ASN HBx 1.0 . 4.2 234 215 A 13 ASN HBx A 14 GLN H 1.0 . 4.2 235 216 A 12 ILE HG2% A 13 ASN HD2y 1.0 . 5.0 236 217 A 12 ILE HG2% A 13 ASN HD2x 1.0 . 5.0 237 218 A 13 ASN HA A 14 GLN H 1.0 . 3.4 238 219 A 13 ASN HBx A 14 GLN H 1.0 . 4.2 239 220 A 14 GLN HA A 14 GLN H 1.0 . 4.2 240 221 A 15 CYS H A 14 GLN H 1.0 . 4.2 241 222 A 14 GLN HA A 15 CYS H 1.0 . 5.5 242 223 A 13 ASN HA A 14 GLN HBy 1.0 . 5.5 243 224 A 15 CYS H A 14 GLN HBy 1.0 . 5.5 244 225 A 2 VAL HGy% A 14 GLN HBy 1.0 . 5.0 245 226 A 13 ASN HA A 14 GLN HBx 1.0 . 5.5 246 227 A 15 CYS H A 14 GLN HBx 1.0 . 5.5 247 228 A 8 CYS HBy A 14 GLN HBx 1.0 . 5.5 248 229 A 11 ILE HA A 14 GLN HE2y 1.0 . 5.0 249 230 A 11 ILE HA A 14 GLN HGy 1.0 . 5.5 250 231 A 15 CYS H A 14 GLN H 1.0 . 5.0 251 232 A 14 GLN HA A 15 CYS H 1.0 . 4.2 252 233 A 15 CYS H A 14 GLN HBy 1.0 . 5.0 253 234 A 15 CYS H A 14 GLN HBx 1.0 . 5.5 254 235 A 15 CYS H A 14 GLN HGy 1.0 . 5.5 255 236 A 15 CYS HA A 15 CYS H 1.0 . 5.5 256 237 A 16 CYS HA A 15 CYS H 1.0 . 5.5 257 238 A 15 CYS H A 21 CYS HBx 1.0 . 5.5 258 239 A 8 CYS HBy A 15 CYS H 1.0 . 5.5 259 240 A 15 CYS HBx A 14 GLN HA 1.0 . 5.5 260 241 A 16 CYS H A 15 CYS HBx 1.0 . 4.2 261 242 A 15 CYS HBx A 29 CYS HBy 1.0 . 4.2 262 243 A 2 VAL H A 15 CYS HBx 1.0 . 5.5 263 244 A 2 VAL HB A 15 CYS HBx 1.0 . 5.5 264 245 A 2 VAL HGx% A 15 CYS HBx 1.0 . 5.5 265 246 A 16 CYS H A 15 CYS H 1.0 . 5.5 266 247 A 15 CYS HA A 16 CYS H 1.0 . 3.4 267 248 A 16 CYS H A 15 CYS HBx 1.0 . 4.2 268 249 A 16 CYS H A 16 CYS HA 1.0 . 4.2 269 250 A 16 CYS H A 17 ASP H 1.0 . 5.0 270 251 A 16 CYS H A 19 TYR HD% 1.0 . 5.5 271 252 A 16 CYS H A 1 CYS HA 1.0 . 5.0 272 253 A 16 CYS H A 1 CYS HBx 1.0 . 4.2 273 253 A 1 CYS HBy A 16 CYS H 1.0 . 4.2 274 254 A 16 CYS H A 2 VAL H 1.0 . 4.2 275 255 A 16 CYS H A 2 VAL HA 1.0 . 5.0 276 256 A 16 CYS H A 2 VAL HB 1.0 . 4.2 277 257 A 16 CYS H A 2 VAL HGx% 1.0 . 5.0 278 258 A 16 CYS H A 2 VAL HGy% 1.0 . 5.5 279 259 A 16 CYS H A 3 PRO HA 1.0 . 4.2 280 260 A 16 CYS HA A 17 ASP H 1.0 . 5.5 281 261 A 17 ASP H A 16 CYS HBx 1.0 . 4.2 282 262 A 3 PRO HA A 16 CYS HBx 1.0 . 5.5 283 263 A 17 ASP H A 16 CYS HBy 1.0 . 4.2 284 264 A 16 CYS HBy A 19 TYR HD% 1.0 . 5.0 285 265 A 16 CYS HBy A 19 TYR HE% 1.0 . 5.5 286 266 A 16 CYS HBy A 1 CYS HA 1.0 . 5.5 287 267 A 16 CYS HBy A 1 CYS HBx 1.0 . 5.0 288 267 A 1 CYS HBy A 16 CYS HBy 1.0 . 5.0 289 268 A 16 CYS HBy A 3 PRO HA 1.0 . 4.2 290 269 A 16 CYS H A 17 ASP H 1.0 . 5.0 291 270 A 16 CYS HA A 17 ASP H 1.0 . 3.4 292 271 A 17 ASP H A 16 CYS HBx 1.0 . 4.2 293 272 A 17 ASP H A 16 CYS HBy 1.0 . 4.2 294 273 A 17 ASP H A 17 ASP HA 1.0 . 3.4 295 274 A 17 ASP H A 1 CYS HBx 1.0 . 5.0 296 274 A 1 CYS HBy A 17 ASP H 1.0 . 5.0 297 275 A 18 PRO HGx A 17 ASP HBx 1.0 . 5.0 298 275 A 17 ASP HBy A 18 PRO HGx 1.0 . 5.0 299 276 A 19 TYR HD% A 18 PRO HBy 1.0 . 5.0 300 277 A 19 TYR HD% A 18 PRO HDy 1.0 . 5.5 301 278 A 18 PRO HGx A 17 ASP HBx 1.0 . 5.5 302 278 A 17 ASP HBy A 18 PRO HGx 1.0 . 5.5 303 279 A 18 PRO HGy A 17 ASP HBx 1.0 . 5.5 304 279 A 17 ASP HBy A 18 PRO HGy 1.0 . 5.5 305 280 A 19 TYR HE% A 18 PRO HGy 1.0 . 5.5 306 281 A 19 TYR H A 15 CYS HBy 1.0 . 5.5 307 282 A 19 TYR H A 18 PRO HA 1.0 . 3.4 308 283 A 18 PRO HBy A 19 TYR H 1.0 . 4.2 309 284 A 19 TYR H A 18 PRO HDx 1.0 . 5.0 310 285 A 18 PRO HGy A 19 TYR H 1.0 . 5.5 311 286 A 19 TYR H A 19 TYR HA 1.0 . 4.2 312 287 A 19 TYR HBy A 20 TYR H 1.0 . 4.2 313 288 A 29 CYS HBy A 19 TYR HBy 1.0 . 4.2 314 289 A 30 ILE HA A 19 TYR HBy 1.0 . 5.5 315 290 A 19 TYR HBx A 30 ILE H 1.0 . 5.5 316 291 A 19 TYR HD% A 16 CYS HBx 1.0 . 5.5 317 292 A 16 CYS HBy A 19 TYR HD% 1.0 . 5.5 318 293 A 19 TYR HD% A 18 PRO HBy 1.0 . 5.0 319 294 A 19 TYR HD% A 18 PRO HDx 1.0 . 5.0 320 295 A 19 TYR HD% A 20 TYR H 1.0 . 5.0 321 296 A 29 CYS HBy A 19 TYR HD% 1.0 . 5.0 322 297 A 30 ILE HA A 19 TYR HD% 1.0 . 5.5 323 298 A 30 ILE HD1% A 19 TYR HD% 1.0 . 5.0 324 299 A 3 PRO HA A 19 TYR HD% 1.0 . 5.0 325 300 A 4 GLN HA A 19 TYR HD% 1.0 . 5.0 326 301 A 4 GLN HBy A 19 TYR HD% 1.0 . 5.0 327 302 A 4 GLN HBx A 19 TYR HD% 1.0 . 5.5 328 303 A 19 TYR HD% A 4 GLN HGx 1.0 . 5.0 329 304 A 19 TYR HE% A 18 PRO HDy 1.0 . 5.0 330 305 A 19 TYR HA A 20 TYR H 1.0 . 3.4 331 306 A 19 TYR HBy A 20 TYR H 1.0 . 3.4 332 307 A 20 TYR H A 19 TYR HBx 1.0 . 4.2 333 308 A 19 TYR HD% A 20 TYR H 1.0 . 5.0 334 309 A 20 TYR H A 30 ILE H 1.0 . 4.2 335 310 A 30 ILE HD1% A 20 TYR H 1.0 . 5.5 336 311 A 20 TYR H A 30 ILE HG1x 1.0 . 5.5 337 311 A 20 TYR H A 30 ILE HG1y 1.0 . 5.5 338 312 A 20 TYR HBx A 21 CYS H 1.0 . 4.2 339 313 A 19 TYR HA A 20 TYR HD% 1.0 . 5.0 340 314 A 21 CYS H A 20 TYR HD% 1.0 . 5.5 341 315 A 20 TYR HD% A 22 SER HA 1.0 . 5.5 342 316 A 20 TYR HD% A 22 SER HBx 1.0 . 5.0 343 317 A 20 TYR HD% A 22 SER HBy 1.0 . 5.0 344 318 A 22 SER HBx A 20 TYR HE% 1.0 . 5.0 345 319 A 22 SER HBy A 20 TYR HE% 1.0 . 5.0 346 320 A 20 TYR HE% A 30 ILE HG1x 1.0 . 5.0 347 320 A 30 ILE HG1y A 20 TYR HE% 1.0 . 5.0 348 321 A 30 ILE HG2% A 20 TYR HE% 1.0 . 4.2 349 322 A 21 CYS H A 20 TYR HA 1.0 . 3.4 350 323 A 20 TYR HBx A 21 CYS H 1.0 . 4.2 351 324 A 21 CYS H A 21 CYS HA 1.0 . 4.2 352 325 A 29 CYS HBy A 21 CYS H 1.0 . 5.0 353 326 A 21 CYS HA A 22 SER H 1.0 . 5.0 354 327 A 21 CYS HA A 29 CYS HA 1.0 . 5.5 355 328 A 21 CYS HBx A 20 TYR HA 1.0 . 5.0 356 329 A 8 CYS HBy A 21 CYS HBx 1.0 . 4.2 357 330 A 8 CYS HBx A 21 CYS HBx 1.0 . 5.5 358 331 A 8 CYS HBy A 21 CYS HBy 1.0 . 5.0 359 332 A 21 CYS HA A 22 SER H 1.0 . 3.4 360 333 A 21 CYS HBx A 22 SER H 1.0 . 5.0 361 334 A 22 SER H A 21 CYS HBy 1.0 . 5.0 362 335 A 22 SER HA A 22 SER H 1.0 . 4.2 363 336 A 22 SER H A 27 GLY HAx 1.0 . 5.0 364 337 A 22 SER H A 28 HIS H 1.0 . 4.2 365 338 A 22 SER H A 29 CYS HA 1.0 . 5.0 366 339 A 30 ILE HD1% A 22 SER H 1.0 . 4.2 367 340 A 22 SER H A 30 ILE HG1x 1.0 . 5.0 368 340 A 30 ILE HG1y A 22 SER H 1.0 . 5.0 369 341 A 20 TYR HD% A 22 SER HBx 1.0 . 5.5 370 342 A 22 SER HBx A 20 TYR HE% 1.0 . 5.0 371 343 A 22 SER HBx A 30 ILE HG1x 1.0 . 5.0 372 343 A 30 ILE HG1y A 22 SER HBx 1.0 . 5.0 373 344 A 20 TYR HD% A 22 SER HBy 1.0 . 5.0 374 345 A 22 SER HBy A 20 TYR HE% 1.0 . 5.0 375 346 A 22 SER HBy A 21 CYS HA 1.0 . 5.5 376 347 A 30 ILE H A 22 SER HBy 1.0 . 5.5 377 348 A 22 SER HBy A 30 ILE HG1x 1.0 . 5.0 378 348 A 30 ILE HG1y A 22 SER HBy 1.0 . 5.0 379 349 A 30 ILE HG2% A 22 SER HBy 1.0 . 5.0 380 350 A 22 SER HA A 23 PRO HA 1.0 . 4.2 381 351 A 22 SER HA A 23 PRO HBy 1.0 . 5.0 382 352 A 22 SER HA A 23 PRO HDy 1.0 . 5.0 383 353 A 23 PRO HDy A 24 PRO HGy 1.0 . 4.2 384 354 A 22 SER HA A 23 PRO HGy 1.0 . 5.5 385 355 A 24 PRO HA A 25 ILE H 1.0 . 4.2 386 356 A 25 ILE H A 24 PRO HBy 1.0 . 5.0 387 357 A 23 PRO HDy A 24 PRO HBx 1.0 . 5.0 388 358 A 25 ILE H A 24 PRO HBx 1.0 . 5.0 389 359 A 23 PRO HDy A 24 PRO HGx 1.0 . 4.2 390 360 A 25 ILE H A 24 PRO HGx 1.0 . 5.5 391 361 A 24 PRO HGx A 26 TYR H 1.0 . 5.5 392 362 A 24 PRO HGx A 27 GLY HAy 1.0 . 5.5 393 363 A 23 PRO HDy A 24 PRO HGy 1.0 . 4.2 394 364 A 24 PRO HGy A 25 ILE H 1.0 . 5.0 395 365 A 25 ILE H A 24 PRO HDx 1.0 . 5.0 396 365 A 25 ILE H A 24 PRO HDy 1.0 . 5.0 397 366 A 27 GLY HAy A 24 PRO HDx 1.0 . 5.0 398 366 A 27 GLY HAy A 24 PRO HDy 1.0 . 5.0 399 367 A 27 GLY HAx A 24 PRO HDx 1.0 . 4.2 400 367 A 27 GLY HAx A 24 PRO HDy 1.0 . 4.2 401 368 A 24 PRO HA A 25 ILE H 1.0 . 4.2 402 369 A 25 ILE H A 24 PRO HBy 1.0 . 5.0 403 370 A 25 ILE H A 24 PRO HBx 1.0 . 4.2 404 371 A 25 ILE HA A 25 ILE H 1.0 . 3.4 405 372 A 25 ILE H A 26 TYR H 1.0 . 4.2 406 373 A 10 GLY H A 25 ILE HA 1.0 . 5.0 407 374 A 25 ILE HA A 25 ILE H 1.0 . 4.2 408 375 A 25 ILE HA A 26 TYR H 1.0 . 4.2 409 376 A 25 ILE HA A 9 ASP HA 1.0 . 5.5 410 377 A 26 TYR H A 25 ILE HB 1.0 . 4.2 411 378 A 26 TYR HD% A 25 ILE HB 1.0 . 5.5 412 379 A 11 ILE H A 25 ILE HG1y 1.0 . 4.2 413 380 A 11 ILE HA A 25 ILE HG1y 1.0 . 5.0 414 381 A 25 ILE HG1y A 11 ILE HG2% 1.0 . 4.2 415 382 A 25 ILE HG1y A 25 ILE H 1.0 . 5.0 416 383 A 24 PRO HA A 26 TYR H 1.0 . 5.5 417 384 A 25 ILE H A 26 TYR H 1.0 . 4.2 418 385 A 25 ILE HA A 26 TYR H 1.0 . 4.2 419 386 A 26 TYR H A 25 ILE HB 1.0 . 4.2 420 387 A 26 TYR H A 25 ILE HG1x 1.0 . 5.5 421 388 A 25 ILE HG1y A 26 TYR H 1.0 . 5.5 422 389 A 25 ILE HD1% A 26 TYR H 1.0 . 5.0 423 390 A 25 ILE HG2% A 26 TYR H 1.0 . 5.5 424 391 A 26 TYR HA A 26 TYR H 1.0 . 5.0 425 392 A 27 GLY H A 26 TYR H 1.0 . 4.2 426 393 A 27 GLY HAx A 26 TYR H 1.0 . 5.5 427 394 A 9 ASP HA A 26 TYR H 1.0 . 5.0 428 395 A 25 ILE HB A 26 TYR HBy 1.0 . 5.5 429 396 A 27 GLY H A 26 TYR HBy 1.0 . 5.5 430 397 A 9 ASP HA A 26 TYR HBy 1.0 . 5.5 431 398 A 26 TYR HD% A 25 ILE HB 1.0 . 5.0 432 399 A 25 ILE HD1% A 26 TYR HD% 1.0 . 5.0 433 400 A 26 TYR HD% A 9 ASP HA 1.0 . 5.0 434 401 A 9 ASP HBx A 26 TYR HD% 1.0 . 5.0 435 402 A 25 ILE HD1% A 26 TYR HE% 1.0 . 5.0 436 403 A 25 ILE HG2% A 26 TYR HE% 1.0 . 5.0 437 404 A 27 GLY H A 26 TYR H 1.0 . 4.2 438 405 A 27 GLY H A 26 TYR HA 1.0 . 4.2 439 406 A 27 GLY H A 26 TYR HBy 1.0 . 5.0 440 407 A 27 GLY H A 26 TYR HBx 1.0 . 5.0 441 408 A 27 GLY H A 26 TYR HD% 1.0 . 5.0 442 409 A 27 GLY H A 27 GLY HAy 1.0 . 4.2 443 410 A 27 GLY H A 27 GLY HAx 1.0 . 4.2 444 411 A 27 GLY H A 28 HIS H 1.0 . 4.2 445 412 A 7 VAL HGy% A 27 GLY H 1.0 . 5.0 446 413 A 27 GLY H A 9 ASP HA 1.0 . 5.0 447 414 A 27 GLY HAy A 24 PRO HDx 1.0 . 5.5 448 414 A 27 GLY HAy A 24 PRO HDy 1.0 . 5.5 449 415 A 28 HIS H A 27 GLY HAy 1.0 . 5.0 450 416 A 22 SER H A 27 GLY HAx 1.0 . 5.5 451 417 A 22 SER H A 27 GLY HAx 1.0 . 5.5 452 418 A 27 GLY HAx A 24 PRO HDx 1.0 . 4.2 453 418 A 27 GLY HAx A 24 PRO HDy 1.0 . 4.2 454 419 A 27 GLY HAx A 28 HIS H 1.0 . 4.2 455 420 A 27 GLY HAx A 28 HIS H 1.0 . 4.2 456 421 A 21 CYS HA A 28 HIS H 1.0 . 5.5 457 422 A 22 SER H A 28 HIS H 1.0 . 4.2 458 423 A 27 GLY H A 28 HIS H 1.0 . 4.2 459 424 A 28 HIS H A 27 GLY HAy 1.0 . 4.2 460 425 A 27 GLY HAx A 28 HIS H 1.0 . 3.4 461 426 A 28 HIS HA A 28 HIS H 1.0 . 4.2 462 427 A 30 ILE HD1% A 28 HIS H 1.0 . 5.5 463 428 A 28 HIS HA A 21 CYS HA 1.0 . 5.5 464 429 A 28 HIS HA A 27 GLY HAy 1.0 . 5.5 465 430 A 28 HIS HA A 27 GLY HAx 1.0 . 5.5 466 431 A 28 HIS HA A 28 HIS H 1.0 . 4.2 467 432 A 29 CYS H A 28 HIS HA 1.0 . 3.4 468 433 A 29 CYS HBx A 28 HIS HA 1.0 . 5.5 469 434 A 7 VAL HA A 28 HIS HA 1.0 . 4.2 470 435 A 7 VAL HGx% A 28 HIS HA 1.0 . 5.5 471 436 A 28 HIS HA A 7 VAL HGy% 1.0 . 5.5 472 437 A 28 HIS HA A 8 CYS H 1.0 . 4.2 473 438 A 29 CYS H A 28 HIS HBx 1.0 . 4.2 474 439 A 30 ILE HD1% A 28 HIS HBx 1.0 . 5.0 475 440 A 5 TYR H A 28 HIS HBx 1.0 . 5.5 476 441 A 5 TYR HA A 28 HIS HBx 1.0 . 5.5 477 442 A 28 HIS HBy A 29 CYS H 1.0 . 4.2 478 443 A 5 TYR H A 28 HIS HBy 1.0 . 5.5 479 444 A 5 TYR HA A 28 HIS HBy 1.0 . 5.0 480 445 A 5 TYR HA A 28 HIS HE1 1.0 . 5.0 481 446 A 6 GLY HAx A 28 HIS HE1 1.0 . 5.0 482 447 A 7 VAL H A 28 HIS HE1 1.0 . 4.2 483 448 A 28 HIS HE1 A 7 VAL HA 1.0 . 4.2 484 449 A 7 VAL HGx% A 28 HIS HE1 1.0 . 4.2 485 450 A 28 HIS HE1 A 7 VAL HGy% 1.0 . 5.0 486 451 A 29 CYS H A 28 HIS HA 1.0 . 3.4 487 452 A 29 CYS H A 28 HIS HBx 1.0 . 4.2 488 453 A 28 HIS HBy A 29 CYS H 1.0 . 3.4 489 454 A 29 CYS H A 29 CYS HA 1.0 . 4.2 490 455 A 2 VAL HGx% A 29 CYS H 1.0 . 5.0 491 456 A 29 CYS H A 30 ILE H 1.0 . 5.5 492 457 A 30 ILE HD1% A 29 CYS H 1.0 . 5.0 493 458 A 4 GLN HA A 29 CYS H 1.0 . 5.0 494 459 A 5 TYR H A 29 CYS H 1.0 . 4.2 495 460 A 5 TYR HA A 29 CYS H 1.0 . 5.0 496 461 A 6 GLY HAy A 29 CYS H 1.0 . 5.5 497 462 A 29 CYS H A 7 VAL HA 1.0 . 4.2 498 463 A 29 CYS HBx A 21 CYS H 1.0 . 5.0 499 464 A 29 CYS HBx A 28 HIS HA 1.0 . 5.5 500 465 A 2 VAL HGx% A 29 CYS HBx 1.0 . 5.0 501 466 A 29 CYS HBx A 30 ILE H 1.0 . 5.5 502 467 A 4 GLN HA A 29 CYS HBx 1.0 . 4.2 503 468 A 5 TYR H A 29 CYS HBx 1.0 . 4.2 504 469 A 15 CYS HBx A 29 CYS HBy 1.0 . 4.2 505 470 A 29 CYS HBy A 15 CYS HBy 1.0 . 5.0 506 471 A 29 CYS HBy A 19 TYR HA 1.0 . 5.5 507 472 A 29 CYS HBy A 19 TYR HBy 1.0 . 4.2 508 473 A 29 CYS HBy A 19 TYR HD% 1.0 . 5.0 509 474 A 29 CYS HBy A 20 TYR H 1.0 . 5.5 510 475 A 29 CYS HBy A 20 TYR HA 1.0 . 5.5 511 476 A 2 VAL HGx% A 29 CYS HBy 1.0 . 5.5 512 477 A 29 CYS HBy A 30 ILE H 1.0 . 5.5 513 478 A 4 GLN H A 29 CYS HBy 1.0 . 5.5 514 479 A 5 TYR H A 29 CYS HBy 1.0 . 4.2 515 480 A 6 GLY H A 29 CYS HBy 1.0 . 5.5 516 481 A 19 TYR HA A 30 ILE H 1.0 . 5.5 517 482 A 19 TYR HBy A 30 ILE H 1.0 . 5.0 518 483 A 19 TYR HD% A 30 ILE H 1.0 . 5.5 519 484 A 20 TYR H A 30 ILE H 1.0 . 4.2 520 485 A 30 ILE H A 20 TYR HD% 1.0 . 5.5 521 486 A 30 ILE H A 20 TYR HE% 1.0 . 5.5 522 487 A 30 ILE H A 21 CYS H 1.0 . 5.5 523 488 A 30 ILE H A 21 CYS HA 1.0 . 5.0 524 489 A 30 ILE H A 22 SER H 1.0 . 5.0 525 490 A 30 ILE H A 22 SER HBy 1.0 . 5.5 526 491 A 29 CYS H A 30 ILE H 1.0 . 5.0 527 492 A 30 ILE H A 29 CYS HA 1.0 . 3.4 528 493 A 29 CYS HBx A 30 ILE H 1.0 . 5.0 529 494 A 29 CYS HBy A 30 ILE H 1.0 . 5.0 530 495 A 30 ILE HA A 30 ILE H 1.0 . 4.2 531 496 A 30 ILE HD1% A 22 SER H 1.0 . 5.5 532 497 A 30 ILE HD1% A 4 GLN HGy 1.0 . 5.0 533 498 A 20 TYR H A 30 ILE HG1x 1.0 . 5.5 534 498 A 20 TYR H A 30 ILE HG1y 1.0 . 5.5 535 499 A 20 TYR HD% A 30 ILE HG1x 1.0 . 5.5 536 499 A 30 ILE HG1y A 20 TYR HD% 1.0 . 5.5 537 500 A 20 TYR HE% A 30 ILE HG1x 1.0 . 5.0 538 500 A 30 ILE HG1y A 20 TYR HE% 1.0 . 5.0 539 501 A 22 SER H A 30 ILE HG1x 1.0 . 5.5 540 501 A 30 ILE HG1y A 22 SER H 1.0 . 5.5 541 502 A 22 SER HBx A 30 ILE HG1x 1.0 . 5.0 542 502 A 30 ILE HG1y A 22 SER HBx 1.0 . 5.0 543 503 A 22 SER HBy A 30 ILE HG1x 1.0 . 5.0 544 503 A 30 ILE HG1y A 22 SER HBy 1.0 . 5.0 545 504 A 30 ILE HG2% A 22 SER HBx 1.0 . 5.0 546 505 A 30 ILE HG2% A 22 SER HBy 1.0 . 5.0 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type . save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 29 CYS C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -150.0 -90.0 PHI 2 2 A 27 GLY C A 28 HIS N A 28 HIS CA A 28 HIS C 1.0 -150.0 -90.0 PHI 3 3 A 7 VAL C A 8 CYS N A 8 CYS CA A 8 CYS C 1.0 -150.0 -90.0 PHI 4 4 A 3 PRO C A 4 GLN N A 4 GLN CA A 4 GLN C 1.0 -150.0 -90.0 PHI 5 5 A 16 CYS C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -180.0 0.0 PHI stop_ save_