data_nef_c17657_2lda 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 17658 BMRB 17659 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 ACE C 1 2 HIS N 1 3 LYS C 1 4 MK8 N 1 4 MK8 C 1 5 LEU N 1 7 GLN C 1 8 MK8 N 1 8 MK8 C 1 9 LEU N 1 12 SER C 1 13 NH2 N 1 4 MK8 CE 1 8 MK8 CE 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 0 ACE start . . 2 A 1 HIS middle . . 3 A 2 LYS middle . . 4 A 3 MK8 middle . . 5 A 4 LEU middle . . 6 A 5 HIS middle . . 7 A 6 GLN middle . . 8 A 7 MK8 middle . . 9 A 8 LEU middle . . 10 A 9 GLN middle . . 11 A 10 ASP middle . . 12 A 11 SER middle . . 13 A 12 NH2 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 0 ACE H% H 1 2.02909 0.02 A 1 HIS H H 1 8.55692 0.02 A 1 HIS HA H 1 4.55262 0.02 A 1 HIS HBx H 1 3.18575 0.02 A 1 HIS HBy H 1 3.25899 0.02 A 1 HIS HD2 H 1 7.30675 0.02 A 1 HIS HE1 H 1 8.60225 0.02 A 2 LYS H H 1 8.52862 0.02 A 2 LYS HA H 1 4.16377 0.02 A 2 LYS HBx H 1 1.81021 0.02 A 2 LYS HBy H 1 1.84463 0.02 A 2 LYS HDy H 1 1.68879 0.02 A 2 LYS HDx H 1 1.68787 0.02 A 2 LYS HEx H 1 2.98673 0.02 A 2 LYS HEy H 1 2.99996 0.02 A 2 LYS HGx H 1 1.38623 0.02 A 2 LYS HGy H 1 1.48246 0.02 A 3 MK8 Hx H 1 1.81551 0.02 A 3 MK8 HBy H 1 2.01589 0.02 A 3 MK8 HB1% H 1 1.44772 0.02 A 3 MK8 Hx H 1 1.81551 0.02 A 3 MK8 HDy H 1 1.97697 0.02 A 3 MK8 HE H 1 5.33290 0.02 A 3 MK8 Hx H 1 1.81551 0.02 A 3 MK8 HGy H 1 1.55543 0.02 A 3 MK8 HN H 1 8.29468 0.02 A 4 LEU H H 1 8.07836 0.02 A 4 LEU HA H 1 3.97088 0.02 A 4 LEU HBx H 1 1.57000 0.02 A 4 LEU HBy H 1 1.64701 0.02 A 4 LEU HDx% H 1 0.85343 0.02 A 4 LEU HDy% H 1 0.86595 0.02 A 4 LEU HG H 1 1.57000 0.02 A 5 HIS H H 1 8.01924 0.02 A 5 HIS HA H 1 4.27475 0.02 A 5 HIS HBx H 1 3.39508 0.02 A 5 HIS HBy H 1 3.39554 0.02 A 5 HIS HD2 H 1 7.28292 0.02 A 5 HIS HE1 H 1 8.59676 0.02 A 6 GLN H H 1 7.76142 0.02 A 6 GLN HA H 1 4.11759 0.02 A 6 GLN HBx H 1 2.11106 0.02 A 6 GLN HBy H 1 2.24570 0.02 A 6 GLN HE2x H 1 6.85660 0.02 A 6 GLN HE2y H 1 7.61036 0.02 A 6 GLN HGx H 1 2.34007 0.02 A 6 GLN HGy H 1 2.40965 0.02 A 7 MK8 Hx H 1 1.57184 0.02 A 7 MK8 HBy H 1 2.06412 0.02 A 7 MK8 HB1% H 1 1.45701 0.02 A 7 MK8 Hx H 1 1.57184 0.02 A 7 MK8 HDy H 1 2.07207 0.02 A 7 MK8 HE H 1 5.41919 0.02 A 7 MK8 Hy H 1 1.37523 0.02 A 7 MK8 HGx H 1 1.35319 0.02 A 7 MK8 HN H 1 8.31548 0.02 A 8 LEU H H 1 7.89217 0.02 A 8 LEU HA H 1 4.13405 0.02 A 8 LEU HBx H 1 1.54719 0.02 A 8 LEU HBy H 1 1.73385 0.02 A 8 LEU HDx% H 1 0.82293 0.02 A 8 LEU HDy% H 1 0.83960 0.02 A 8 LEU HG H 1 1.74350 0.02 A 9 GLN H H 1 7.86048 0.02 A 9 GLN HA H 1 4.15888 0.02 A 9 GLN HBx H 1 2.09850 0.02 A 9 GLN HBy H 1 2.14283 0.02 A 9 GLN HE2x H 1 6.85615 0.02 A 9 GLN HE2y H 1 7.45188 0.02 A 9 GLN HGx H 1 2.38818 0.02 A 9 GLN HGy H 1 2.38818 0.02 A 10 ASP H H 1 8.17147 0.02 A 10 ASP HA H 1 4.68081 0.02 A 10 ASP HBx H 1 2.72204 0.02 A 10 ASP HBy H 1 2.83106 0.02 A 11 SER H H 1 8.07607 0.02 A 11 SER HA H 1 4.39027 0.02 A 11 SER HBx H 1 3.90399 0.02 A 11 SER HBy H 1 3.95588 0.02 A 12 NH2 HNx H 1 7.21122 0.02 A 12 NH2 HNy H 1 7.52367 0.02 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 1 HIS H A 1 HIS HA 1.0 1.8 2.97180 2 2 A 1 HIS H A 1 HIS HBy 1.0 1.8 3.73171 3 3 A 1 HIS HA A 1 HIS HBy 1.0 1.8 3.11628 4 4 A 1 HIS H A 1 HIS HBx 1.0 1.8 2.73536 5 5 A 1 HIS HA A 1 HIS HBx 1.0 1.8 3.10728 6 6 A 1 HIS HBy A 1 HIS HBx 1.0 1.8 1.85580 7 7 A 1 HIS HA A 1 HIS HD2 1.0 1.8 4.46033 8 8 A 1 HIS HBy A 1 HIS HD2 1.0 1.8 3.71303 9 9 A 1 HIS HBx A 1 HIS HD2 1.0 1.8 3.79663 10 10 A 1 HIS HD2 A 1 HIS HE1 1.0 1.8 4.34318 11 11 A 2 LYS H A 2 LYS HA 1.0 1.8 2.95217 12 12 A 2 LYS H A 2 LYS HBy 1.0 1.8 2.91468 13 13 A 2 LYS HA A 2 LYS HBy 1.0 1.8 2.80865 14 14 A 2 LYS H A 2 LYS HBx 1.0 1.8 3.74508 15 15 A 2 LYS HA A 2 LYS HBx 1.0 1.8 3.05710 16 16 A 2 LYS HBy A 2 LYS HBx 1.0 1.8 1.85000 17 17 A 2 LYS H A 2 LYS HGy 1.0 1.8 4.08078 18 18 A 2 LYS HA A 2 LYS HGy 1.0 1.8 3.65734 19 19 A 2 LYS HBy A 2 LYS HGy 1.0 1.8 3.10403 20 20 A 2 LYS HBx A 2 LYS HGy 1.0 1.8 2.70637 21 21 A 2 LYS H A 2 LYS HGx 1.0 1.8 3.69964 22 22 A 2 LYS HA A 2 LYS HGx 1.0 1.8 3.91966 23 23 A 2 LYS HBy A 2 LYS HGx 1.0 1.8 2.59810 24 24 A 2 LYS HBx A 2 LYS HGx 1.0 1.8 3.09803 25 25 A 2 LYS H A 2 LYS HDy 1.0 1.8 4.33937 26 25 A 2 LYS H A 2 LYS HDx 1.0 1.8 4.33937 27 26 A 2 LYS HA A 2 LYS HDy 1.0 1.8 3.94478 28 26 A 2 LYS HA A 2 LYS HDx 1.0 1.8 3.94478 29 27 A 2 LYS HBx A 2 LYS HDy 1.0 1.8 2.54589 30 27 A 2 LYS HBx A 2 LYS HDx 1.0 1.8 2.54589 31 28 A 2 LYS HGy A 2 LYS HDy 1.0 1.8 2.47450 32 28 A 2 LYS HGy A 2 LYS HDx 1.0 1.8 2.47450 33 29 A 2 LYS HGx A 2 LYS HDy 1.0 1.8 2.43481 34 29 A 2 LYS HGx A 2 LYS HDx 1.0 1.8 2.43481 35 30 A 2 LYS HBx A 2 LYS HEy 1.0 1.8 4.77966 36 31 A 2 LYS HGy A 2 LYS HEy 1.0 1.8 3.76553 37 32 A 2 LYS HGx A 2 LYS HEy 1.0 1.8 4.35393 38 33 A 2 LYS HEy A 2 LYS HDy 1.0 1.8 2.44065 39 33 A 2 LYS HDx A 2 LYS HEy 1.0 1.8 2.44065 40 34 A 2 LYS HBy A 2 LYS HEx 1.0 1.8 4.67831 41 35 A 2 LYS HBx A 2 LYS HEx 1.0 1.8 4.87333 42 36 A 2 LYS HGy A 2 LYS HEx 1.0 1.8 3.72647 43 37 A 2 LYS HGx A 2 LYS HEx 1.0 1.8 3.87855 44 38 A 2 LYS HEx A 2 LYS HDy 1.0 1.8 2.46464 45 38 A 2 LYS HDx A 2 LYS HEx 1.0 1.8 2.46464 46 39 A 2 LYS HEy A 2 LYS HEx 1.0 1.8 1.86412 47 40 A 4 LEU H A 4 LEU HA 1.0 1.8 2.86657 48 41 A 4 LEU H A 4 LEU HBy 1.0 1.8 2.92805 49 42 A 4 LEU HA A 4 LEU HBy 1.0 1.8 3.10632 50 43 A 4 LEU H A 4 LEU HBx 1.0 1.8 2.72595 51 44 A 4 LEU HA A 4 LEU HBx 1.0 1.8 2.76424 52 45 A 4 LEU HBy A 4 LEU HBx 1.0 1.8 1.84607 53 46 A 4 LEU H A 4 LEU HG 1.0 1.8 4.67415 54 47 A 4 LEU HA A 4 LEU HG 1.0 1.8 3.93605 55 48 A 4 LEU HBx A 4 LEU HG 1.0 1.8 2.87818 56 49 A 4 LEU H A 4 LEU HDx% 1.0 1.8 3.94734 57 50 A 4 LEU HA A 4 LEU HDx% 1.0 1.8 3.20293 58 51 A 4 LEU HBy A 4 LEU HDx% 1.0 1.8 2.63965 59 52 A 4 LEU HBx A 4 LEU HDx% 1.0 1.8 3.37998 60 53 A 4 LEU HG A 4 LEU HDx% 1.0 1.8 2.21109 61 54 A 4 LEU H A 4 LEU HDy% 1.0 1.8 4.42308 62 55 A 4 LEU HA A 4 LEU HDy% 1.0 1.8 3.49170 63 56 A 4 LEU HBy A 4 LEU HDy% 1.0 1.8 3.34205 64 57 A 4 LEU HBx A 4 LEU HDy% 1.0 1.8 2.53459 65 58 A 4 LEU HG A 4 LEU HDy% 1.0 1.8 2.19819 66 59 A 5 HIS H A 5 HIS HA 1.0 1.8 2.99147 67 60 A 5 HIS H A 5 HIS HBx 1.0 1.8 2.47933 68 60 A 5 HIS H A 5 HIS HBy 1.0 1.8 2.47933 69 61 A 5 HIS HA A 5 HIS HBx 1.0 1.8 2.59412 70 61 A 5 HIS HA A 5 HIS HBy 1.0 1.8 2.59412 71 62 A 5 HIS H A 5 HIS HD2 1.0 1.8 4.85198 72 63 A 5 HIS HA A 5 HIS HD2 1.0 1.8 4.30782 73 64 A 5 HIS HD2 A 5 HIS HBx 1.0 1.8 3.32936 74 64 A 5 HIS HBy A 5 HIS HD2 1.0 1.8 3.32936 75 65 A 5 HIS HE1 A 5 HIS HBx 1.0 1.8 4.65181 76 65 A 5 HIS HBy A 5 HIS HE1 1.0 1.8 4.65181 77 66 A 5 HIS HD2 A 5 HIS HE1 1.0 1.8 4.34096 78 67 A 6 GLN H A 6 GLN HA 1.0 1.8 2.95022 79 68 A 6 GLN H A 6 GLN HBy 1.0 1.8 2.84213 80 69 A 6 GLN HA A 6 GLN HBy 1.0 1.8 2.93105 81 70 A 6 GLN H A 6 GLN HBx 1.0 1.8 2.92644 82 71 A 6 GLN HA A 6 GLN HBx 1.0 1.8 3.06323 83 72 A 6 GLN HBy A 6 GLN HBx 1.0 1.8 1.85099 84 73 A 6 GLN H A 6 GLN HGy 1.0 1.8 4.07641 85 74 A 6 GLN HA A 6 GLN HGy 1.0 1.8 3.78414 86 75 A 6 GLN HBy A 6 GLN HGy 1.0 1.8 2.66113 87 76 A 6 GLN H A 6 GLN HGx 1.0 1.8 3.51075 88 77 A 6 GLN HA A 6 GLN HGx 1.0 1.8 2.82842 89 78 A 6 GLN HBy A 6 GLN HGx 1.0 1.8 3.09256 90 79 A 6 GLN HBx A 6 GLN HGx 1.0 1.8 3.10499 91 80 A 6 GLN HBy A 6 GLN HE2x 1.0 1.8 4.49448 92 81 A 6 GLN HBx A 6 GLN HE2x 1.0 1.8 4.49671 93 82 A 6 GLN HGy A 6 GLN HE2x 1.0 1.8 3.65198 94 83 A 6 GLN HGx A 6 GLN HE2x 1.0 1.8 3.35616 95 84 A 6 GLN HBy A 6 GLN HE2y 1.0 1.8 4.37966 96 85 A 6 GLN HBx A 6 GLN HE2y 1.0 1.8 4.73223 97 86 A 6 GLN HGy A 6 GLN HE2y 1.0 1.8 4.02604 98 87 A 6 GLN HGx A 6 GLN HE2y 1.0 1.8 3.54719 99 88 A 6 GLN HE2x A 6 GLN HE2y 1.0 1.8 1.82672 100 89 A 8 LEU H A 8 LEU HA 1.0 1.8 2.92449 101 90 A 8 LEU H A 8 LEU HBy 1.0 1.8 3.14718 102 91 A 8 LEU HA A 8 LEU HBy 1.0 1.8 3.11144 103 92 A 8 LEU H A 8 LEU HBx 1.0 1.8 2.64667 104 93 A 8 LEU HA A 8 LEU HBx 1.0 1.8 2.95018 105 94 A 8 LEU HBy A 8 LEU HBx 1.0 1.8 1.84894 106 95 A 8 LEU H A 8 LEU HG 1.0 1.8 4.63956 107 96 A 8 LEU HA A 8 LEU HG 1.0 1.8 3.86197 108 97 A 8 LEU HBy A 8 LEU HG 1.0 1.8 2.70715 109 98 A 8 LEU H A 8 LEU HDx% 1.0 1.8 4.54092 110 99 A 8 LEU HA A 8 LEU HDx% 1.0 1.8 3.01180 111 100 A 8 LEU HBy A 8 LEU HDx% 1.0 1.8 2.66293 112 101 A 8 LEU HBx A 8 LEU HDx% 1.0 1.8 3.38449 113 102 A 8 LEU HG A 8 LEU HDx% 1.0 1.8 2.21179 114 103 A 8 LEU H A 8 LEU HDy% 1.0 1.8 3.90655 115 104 A 8 LEU HA A 8 LEU HDy% 1.0 1.8 3.67187 116 105 A 8 LEU HBy A 8 LEU HDy% 1.0 1.8 3.33469 117 106 A 8 LEU HBx A 8 LEU HDy% 1.0 1.8 2.50579 118 107 A 8 LEU HG A 8 LEU HDy% 1.0 1.8 2.20594 119 108 A 8 LEU HDx% A 8 LEU HDy% 1.0 1.8 2.16194 120 109 A 9 GLN H A 9 GLN HA 1.0 1.8 2.98296 121 110 A 9 GLN H A 9 GLN HBy 1.0 1.8 3.73794 122 111 A 9 GLN HA A 9 GLN HBy 1.0 1.8 2.86832 123 112 A 9 GLN H A 9 GLN HBx 1.0 1.8 2.92377 124 113 A 9 GLN HA A 9 GLN HBx 1.0 1.8 3.05501 125 114 A 9 GLN HBy A 9 GLN HBx 1.0 1.8 1.85614 126 115 A 9 GLN H A 9 GLN HGx 1.0 1.8 3.18160 127 115 A 9 GLN H A 9 GLN HGy 1.0 1.8 3.18160 128 116 A 9 GLN HA A 9 GLN HGx 1.0 1.8 3.00041 129 116 A 9 GLN HA A 9 GLN HGy 1.0 1.8 3.00041 130 117 A 9 GLN HBy A 9 GLN HGx 1.0 1.8 2.45536 131 117 A 9 GLN HBy A 9 GLN HGy 1.0 1.8 2.45536 132 118 A 9 GLN HBx A 9 GLN HGx 1.0 1.8 2.42811 133 118 A 9 GLN HBx A 9 GLN HGy 1.0 1.8 2.42811 134 119 A 9 GLN HBy A 9 GLN HE2x 1.0 1.8 4.51775 135 120 A 9 GLN HBx A 9 GLN HE2x 1.0 1.8 4.76675 136 121 A 9 GLN HE2x A 9 GLN HGx 1.0 1.8 2.80824 137 121 A 9 GLN HGy A 9 GLN HE2x 1.0 1.8 2.80824 138 122 A 9 GLN HE2y A 9 GLN HGx 1.0 1.8 3.61270 139 122 A 9 GLN HGy A 9 GLN HE2y 1.0 1.8 3.61270 140 123 A 9 GLN HE2x A 9 GLN HE2y 1.0 1.8 1.82871 141 124 A 10 ASP H A 10 ASP HA 1.0 1.8 2.94875 142 125 A 10 ASP H A 10 ASP HBy 1.0 1.8 2.89686 143 126 A 10 ASP HA A 10 ASP HBy 1.0 1.8 3.13551 144 127 A 10 ASP H A 10 ASP HBx 1.0 1.8 3.24211 145 128 A 10 ASP HA A 10 ASP HBx 1.0 1.8 3.08912 146 129 A 10 ASP HBy A 10 ASP HBx 1.0 1.8 1.85753 147 130 A 11 SER H A 11 SER HA 1.0 1.8 3.01581 148 131 A 11 SER H A 11 SER HBy 1.0 1.8 3.10996 149 132 A 11 SER HA A 11 SER HBy 1.0 1.8 2.91001 150 133 A 11 SER H A 11 SER HBx 1.0 1.8 3.71317 151 134 A 11 SER HA A 11 SER HBx 1.0 1.8 3.13018 152 135 A 11 SER HBy A 11 SER HBx 1.0 1.8 1.86171 153 136 A 12 NH2 HNx A 12 NH2 HNy 1.0 1.8 1.82648 154 137 A 1 HIS H A 0 ACE CH3 1.0 1.8 2.35920 155 138 A 1 HIS HA A 0 ACE CH3 1.0 1.8 3.91432 156 139 A 1 HIS HBy A 0 ACE CH3 1.0 1.8 4.57768 157 140 A 1 HIS HBx A 0 ACE CH3 1.0 1.8 4.25246 158 141 A 1 HIS HA A 2 LYS H 1.0 1.8 3.60838 159 142 A 1 HIS HBy A 2 LYS H 1.0 1.8 3.88351 160 143 A 1 HIS HBx A 2 LYS H 1.0 1.8 4.09321 161 144 A 1 HIS HA A 2 LYS HA 1.0 1.8 4.95886 162 145 A 1 HIS HBy A 2 LYS HA 1.0 1.8 4.58699 163 146 A 1 HIS HBy A 2 LYS HGx 1.0 1.8 4.88735 164 147 A 2 LYS H A 3 MK8 HN 1.0 1.8 3.30808 165 148 A 2 LYS HA A 3 MK8 HN 1.0 1.8 3.70423 166 149 A 2 LYS HBy A 3 MK8 HN 1.0 1.8 4.36195 167 150 A 2 LYS HBx A 3 MK8 HN 1.0 1.8 3.48056 168 151 A 2 LYS HGy A 3 MK8 HN 1.0 1.8 4.78311 169 152 A 3 MK8 HN A 2 LYS HDy 1.0 1.8 4.94282 170 152 A 2 LYS HDx A 3 MK8 HN 1.0 1.8 4.94282 171 153 A 3 MK8 HN A 4 LEU H 1.0 1.8 3.29044 172 154 A 4 LEU HA A 5 HIS H 1.0 1.8 3.63823 173 155 A 4 LEU HBy A 5 HIS H 1.0 1.8 3.34134 174 156 A 4 LEU HBx A 5 HIS H 1.0 1.8 4.34301 175 157 A 4 LEU HDx% A 5 HIS H 1.0 1.8 4.01512 176 158 A 4 LEU HDy% A 5 HIS H 1.0 1.8 4.97233 177 159 A 4 LEU HA A 5 HIS HA 1.0 1.8 4.96674 178 160 A 4 LEU HBy A 5 HIS HA 1.0 1.8 4.23601 179 161 A 4 LEU HDy% A 5 HIS HA 1.0 1.8 4.95975 180 162 A 4 LEU H A 5 HIS HBx 1.0 1.8 4.65369 181 162 A 4 LEU H A 5 HIS HBy 1.0 1.8 4.65369 182 163 A 4 LEU HBy A 5 HIS HBx 1.0 1.8 4.46595 183 163 A 4 LEU HBy A 5 HIS HBy 1.0 1.8 4.46595 184 164 A 5 HIS H A 6 GLN H 1.0 1.8 2.91305 185 165 A 5 HIS HA A 6 GLN H 1.0 1.8 3.65816 186 166 A 6 GLN H A 5 HIS HBx 1.0 1.8 3.11285 187 166 A 5 HIS HBy A 6 GLN H 1.0 1.8 3.11285 188 167 A 5 HIS HD2 A 6 GLN H 1.0 1.8 4.97847 189 168 A 5 HIS HA A 6 GLN HA 1.0 1.8 4.98193 190 169 A 6 GLN HA A 5 HIS HBx 1.0 1.8 4.11829 191 169 A 5 HIS HBy A 6 GLN HA 1.0 1.8 4.11829 192 170 A 5 HIS H A 6 GLN HBx 1.0 1.8 4.68783 193 171 A 6 GLN HBx A 5 HIS HBx 1.0 1.8 4.66623 194 171 A 5 HIS HBy A 6 GLN HBx 1.0 1.8 4.66623 195 172 A 6 GLN HGx A 5 HIS HBx 1.0 1.8 4.76470 196 172 A 5 HIS HBy A 6 GLN HGx 1.0 1.8 4.76470 197 173 A 6 GLN H A 7 MK8 HN 1.0 1.8 3.04245 198 174 A 6 GLN HA A 7 MK8 HN 1.0 1.8 3.70501 199 175 A 6 GLN HBy A 7 MK8 HN 1.0 1.8 3.24150 200 176 A 6 GLN HBx A 7 MK8 HN 1.0 1.8 3.15098 201 177 A 6 GLN HGx A 7 MK8 HN 1.0 1.8 4.58168 202 178 A 7 MK8 HN A 8 LEU H 1.0 1.8 3.16692 203 179 A 7 MK8 HN A 8 LEU HBx 1.0 1.8 4.58018 204 180 A 8 LEU HA A 9 GLN H 1.0 1.8 3.63564 205 181 A 8 LEU HBy A 9 GLN H 1.0 1.8 3.19330 206 182 A 8 LEU HBx A 9 GLN H 1.0 1.8 4.26925 207 183 A 8 LEU HG A 9 GLN H 1.0 1.8 4.35486 208 184 A 8 LEU HDx% A 9 GLN H 1.0 1.8 4.13274 209 185 A 8 LEU HDy% A 9 GLN H 1.0 1.8 4.98271 210 186 A 8 LEU HBy A 9 GLN HA 1.0 1.8 4.38828 211 187 A 8 LEU HDy% A 9 GLN HA 1.0 1.8 4.52138 212 188 A 8 LEU HBy A 9 GLN HBx 1.0 1.8 4.77084 213 189 A 8 LEU HBy A 9 GLN HGx 1.0 1.8 3.97332 214 189 A 8 LEU HBy A 9 GLN HGy 1.0 1.8 3.97332 215 190 A 8 LEU HG A 9 GLN HGx 1.0 1.8 4.94885 216 190 A 8 LEU HG A 9 GLN HGy 1.0 1.8 4.94885 217 191 A 8 LEU HDy% A 9 GLN HGx 1.0 1.8 4.08714 218 191 A 8 LEU HDy% A 9 GLN HGy 1.0 1.8 4.08714 219 192 A 9 GLN H A 10 ASP H 1.0 1.8 3.01624 220 193 A 9 GLN HA A 10 ASP H 1.0 1.8 3.66889 221 194 A 9 GLN HBy A 10 ASP H 1.0 1.8 3.81959 222 195 A 9 GLN HBx A 10 ASP H 1.0 1.8 3.37667 223 196 A 10 ASP H A 9 GLN HGx 1.0 1.8 4.22143 224 196 A 9 GLN HGy A 10 ASP H 1.0 1.8 4.22143 225 197 A 9 GLN HA A 10 ASP HA 1.0 1.8 4.93481 226 198 A 9 GLN HBy A 10 ASP HA 1.0 1.8 4.54039 227 199 A 9 GLN HBx A 10 ASP HA 1.0 1.8 4.71650 228 200 A 9 GLN H A 10 ASP HBy 1.0 1.8 4.84636 229 201 A 10 ASP H A 11 SER H 1.0 1.8 3.00422 230 202 A 10 ASP HA A 11 SER H 1.0 1.8 3.51348 231 203 A 10 ASP HBy A 11 SER H 1.0 1.8 3.78340 232 204 A 10 ASP HBx A 11 SER H 1.0 1.8 4.25701 233 205 A 10 ASP HA A 11 SER HA 1.0 1.8 4.86900 234 206 A 10 ASP H A 11 SER HBx 1.0 1.8 4.92788 235 207 A 11 SER H A 12 NH2 HNx 1.0 1.8 3.47600 236 208 A 11 SER HA A 12 NH2 HNx 1.0 1.8 3.72917 237 209 A 11 SER HBy A 12 NH2 HNx 1.0 1.8 4.62665 238 210 A 11 SER HBx A 12 NH2 HNx 1.0 1.8 4.32430 239 211 A 11 SER H A 12 NH2 HNy 1.0 1.8 4.19508 240 212 A 11 SER HA A 12 NH2 HNy 1.0 1.8 4.21495 241 213 A 11 SER HBx A 12 NH2 HNy 1.0 1.8 4.67673 242 214 A 2 LYS H A 0 ACE CH3 1.0 1.8 3.45063 243 215 A 2 LYS HBx A 0 ACE CH3 1.0 1.8 4.36163 244 216 A 3 MK8 HN A 0 ACE CH3 1.0 1.8 3.59242 245 217 A 1 HIS H A 3 MK8 HN 1.0 1.8 4.88175 246 218 A 1 HIS HA A 3 MK8 HN 1.0 1.8 4.97819 247 219 A 4 LEU H A 0 ACE CH3 1.0 1.8 4.31812 248 220 A 1 HIS HA A 4 LEU H 1.0 1.8 4.72798 249 221 A 2 LYS H A 4 LEU H 1.0 1.8 4.69393 250 222 A 1 HIS HA A 4 LEU HBy 1.0 1.8 4.68280 251 223 A 1 HIS HA A 4 LEU HBx 1.0 1.8 4.83189 252 224 A 2 LYS HA A 5 HIS H 1.0 1.8 3.87427 253 225 A 3 MK8 HN A 5 HIS H 1.0 1.8 4.29309 254 226 A 2 LYS H A 5 HIS HBx 1.0 1.8 4.92121 255 226 A 2 LYS H A 5 HIS HBy 1.0 1.8 4.92121 256 227 A 2 LYS HA A 5 HIS HBx 1.0 1.8 3.60360 257 227 A 2 LYS HA A 5 HIS HBy 1.0 1.8 3.60360 258 228 A 2 LYS HBy A 5 HIS HBx 1.0 1.8 4.08257 259 228 A 2 LYS HBy A 5 HIS HBy 1.0 1.8 4.08257 260 229 A 2 LYS HBx A 5 HIS HBx 1.0 1.8 4.46362 261 229 A 2 LYS HBx A 5 HIS HBy 1.0 1.8 4.46362 262 230 A 2 LYS HGx A 5 HIS HBx 1.0 1.8 4.71515 263 230 A 2 LYS HGx A 5 HIS HBy 1.0 1.8 4.71515 264 231 A 2 LYS HA A 6 GLN H 1.0 1.8 4.92894 265 232 A 4 LEU H A 6 GLN H 1.0 1.8 4.53409 266 233 A 4 LEU HA A 6 GLN H 1.0 1.8 4.46389 267 234 A 4 LEU HA A 6 GLN HBx 1.0 1.8 4.98019 268 235 A 2 LYS HBy A 6 GLN HGy 1.0 1.8 4.86299 269 236 A 2 LYS HBy A 6 GLN HGx 1.0 1.8 4.83558 270 237 A 4 LEU HA A 7 MK8 HN 1.0 1.8 3.80962 271 238 A 4 LEU HDx% A 7 MK8 HN 1.0 1.8 4.74928 272 239 A 5 HIS H A 7 MK8 HN 1.0 1.8 4.35378 273 240 A 7 MK8 HN A 5 HIS HBx 1.0 1.8 4.80755 274 240 A 5 HIS HBy A 7 MK8 HN 1.0 1.8 4.80755 275 241 A 4 LEU HA A 8 LEU H 1.0 1.8 4.34480 276 242 A 4 LEU HDx% A 8 LEU H 1.0 1.8 4.06651 277 243 A 5 HIS H A 8 LEU H 1.0 1.8 4.94228 278 244 A 5 HIS HA A 8 LEU H 1.0 1.8 4.25547 279 245 A 8 LEU H A 5 HIS HBx 1.0 1.8 4.89019 280 245 A 5 HIS HBy A 8 LEU H 1.0 1.8 4.89019 281 246 A 6 GLN H A 8 LEU H 1.0 1.8 4.10297 282 247 A 6 GLN HA A 8 LEU H 1.0 1.8 4.25187 283 248 A 6 GLN HBx A 8 LEU H 1.0 1.8 4.87161 284 249 A 5 HIS HA A 8 LEU HBy 1.0 1.8 4.19799 285 250 A 8 LEU HBy A 5 HIS HBx 1.0 1.8 4.94106 286 250 A 5 HIS HBy A 8 LEU HBy 1.0 1.8 4.94106 287 251 A 4 LEU HG A 8 LEU HBx 1.0 1.8 4.40825 288 252 A 4 LEU HDx% A 8 LEU HBx 1.0 1.8 3.59598 289 253 A 5 HIS HA A 8 LEU HBx 1.0 1.8 3.86125 290 254 A 6 GLN H A 8 LEU HBx 1.0 1.8 4.90602 291 255 A 4 LEU HDx% A 8 LEU HG 1.0 1.8 4.65382 292 256 A 4 LEU HDy% A 8 LEU HDx% 1.0 1.8 4.58680 293 257 A 4 LEU HDy% A 8 LEU HDy% 1.0 1.8 4.95925 294 258 A 5 HIS HA A 8 LEU HDy% 1.0 1.8 3.85328 295 259 A 8 LEU HDy% A 5 HIS HBx 1.0 1.8 4.56774 296 259 A 5 HIS HBy A 8 LEU HDy% 1.0 1.8 4.56774 297 260 A 5 HIS HD2 A 8 LEU HDy% 1.0 1.8 4.81454 298 261 A 5 HIS HA A 9 GLN H 1.0 1.8 4.80348 299 262 A 6 GLN HA A 9 GLN H 1.0 1.8 3.72288 300 263 A 7 MK8 HN A 9 GLN H 1.0 1.8 4.67983 301 264 A 6 GLN HA A 9 GLN HBy 1.0 1.8 4.70238 302 265 A 6 GLN HA A 9 GLN HBx 1.0 1.8 3.56591 303 266 A 6 GLN HBy A 9 GLN HBx 1.0 1.8 4.60023 304 267 A 5 HIS HE1 A 9 GLN HGx 1.0 1.8 4.97258 305 267 A 5 HIS HE1 A 9 GLN HGy 1.0 1.8 4.97258 306 268 A 6 GLN HA A 9 GLN HGx 1.0 1.8 4.40430 307 268 A 6 GLN HA A 9 GLN HGy 1.0 1.8 4.40430 308 269 A 6 GLN HA A 10 ASP H 1.0 1.8 4.46271 309 270 A 8 LEU H A 10 ASP H 1.0 1.8 4.81379 310 271 A 8 LEU HA A 10 ASP H 1.0 1.8 4.96923 311 272 A 8 LEU HA A 11 SER H 1.0 1.8 4.63474 312 273 A 9 GLN H A 11 SER H 1.0 1.8 3.90865 313 274 A 9 GLN HA A 11 SER H 1.0 1.8 4.79091 314 275 A 9 GLN HBx A 11 SER H 1.0 1.8 4.94920 315 276 A 8 LEU HA A 11 SER HBy 1.0 1.8 4.44427 316 277 A 8 LEU HA A 11 SER HBx 1.0 1.8 4.44611 317 278 A 9 GLN H A 12 NH2 HNx 1.0 1.8 4.96007 stop_ save_