data_nef_c17658_2ldc 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 17657 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 2 HIS C 1 3 MK8 N 1 3 MK8 C 1 4 ILE N 1 6 HIS C 1 7 MK8 N 1 7 MK8 C 1 8 LEU N 1 12 SER C 1 13 NH2 N 1 3 MK8 CE 1 7 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 MK8 middle . . 4 A 3 ILE middle . . 5 A 4 LEU middle . . 6 A 5 HIS middle . . 7 A 6 MK8 middle . . 8 A 7 LEU 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 2.02050 0.02 A 1 HIS H H 1 8.57097 0.02 A 1 HIS HA H 1 4.49069 0.02 A 1 HIS HBx H 1 3.25206 0.02 A 1 HIS HBy H 1 3.27214 0.02 A 1 HIS HD2 H 1 7.35658 0.02 A 1 HIS HE1 H 1 8.67660 0.02 A 2 MK8 Hx H 1 1.81921 0.02 A 2 MK8 HBy H 1 2.08352 0.02 A 2 MK8 HB1% H 1 1.42206 0.02 A 2 MK8 Hx H 1 1.81921 0.02 A 2 MK8 HDy H 1 1.94809 0.02 A 2 MK8 HE H 1 5.36599 0.02 A 2 MK8 Hx H 1 1.81921 0.02 A 2 MK8 HGy H 1 1.65662 0.02 A 2 MK8 HN H 1 8.52990 0.02 A 3 ILE H H 1 8.20311 0.02 A 3 ILE HA H 1 3.80371 0.02 A 3 ILE HB H 1 1.98688 0.02 A 3 ILE HD1% H 1 0.88583 0.02 A 3 ILE HG1x H 1 1.21941 0.02 A 3 ILE HG1y H 1 1.59955 0.02 A 3 ILE HG2% H 1 0.88584 0.02 A 4 LEU H H 1 7.50676 0.02 A 4 LEU HA H 1 3.99290 0.02 A 4 LEU HBx H 1 1.64668 0.02 A 4 LEU HBy H 1 1.77845 0.02 A 4 LEU HDx% H 1 0.81622 0.02 A 4 LEU HDy% H 1 0.89223 0.02 A 4 LEU HG H 1 1.64668 0.02 A 5 HIS H H 1 7.53351 0.02 A 5 HIS HA H 1 4.29877 0.02 A 5 HIS HBx H 1 3.28202 0.02 A 5 HIS HBy H 1 3.42394 0.02 A 5 HIS HD2 H 1 7.30250 0.02 A 5 HIS HE1 H 1 8.66997 0.02 A 6 MK8 Hx H 1 2.08383 0.02 A 6 MK8 HB1% H 1 1.34892 0.02 A 6 MK8 Hx H 1 2.08383 0.02 A 6 MK8 HDy H 1 2.08159 0.02 A 6 MK8 HE H 1 5.46645 0.02 A 6 MK8 HN H 1 8.24615 0.02 A 7 LEU H H 1 8.04263 0.02 A 7 LEU HA H 1 4.00181 0.02 A 7 LEU HBx H 1 1.47993 0.02 A 7 LEU HBy H 1 1.83465 0.02 A 7 LEU HDx% H 1 0.80057 0.02 A 7 LEU HDy% H 1 0.80727 0.02 A 7 LEU HG H 1 1.83145 0.02 A 8 LEU H H 1 7.81141 0.02 A 8 LEU HA H 1 4.12073 0.02 A 8 LEU HBx H 1 1.58907 0.02 A 8 LEU HBy H 1 1.83556 0.02 A 8 LEU HDx% H 1 0.81756 0.02 A 8 LEU HDy% H 1 0.83466 0.02 A 8 LEU HG H 1 1.77006 0.02 A 9 GLN H H 1 7.88904 0.02 A 9 GLN HA H 1 4.19523 0.02 A 9 GLN HBx H 1 1.97840 0.02 A 9 GLN HBy H 1 2.12884 0.02 A 9 GLN HE2x H 1 6.85870 0.02 A 9 GLN HE2y H 1 7.46841 0.02 A 9 GLN HGx H 1 2.30736 0.02 A 9 GLN HGy H 1 2.30736 0.02 A 10 ASP H H 1 8.25773 0.02 A 10 ASP HA H 1 4.70684 0.02 A 10 ASP HBx H 1 2.85290 0.02 A 10 ASP HBy H 1 2.91364 0.02 A 11 SER H H 1 8.01880 0.02 A 11 SER HA H 1 4.37946 0.02 A 11 SER HBx H 1 3.89353 0.02 A 11 SER HBy H 1 3.95398 0.02 A 12 NH2 HNx H 1 7.23675 0.02 A 12 NH2 HNy H 1 7.41265 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 2.97383 2 2 A 1 HIS H A 1 HIS HBx 1.0 1.8 2.62940 3 2 A 1 HIS H A 1 HIS HBy 1.0 1.8 2.62940 4 3 A 1 HIS HA A 1 HIS HBx 1.0 1.8 2.57594 5 3 A 1 HIS HA A 1 HIS HBy 1.0 1.8 2.57594 6 4 A 1 HIS H A 1 HIS HD2 1.0 1.8 4.72369 7 5 A 1 HIS HA A 1 HIS HD2 1.0 1.8 4.09519 8 6 A 1 HIS HD2 A 1 HIS HBx 1.0 1.8 2.78873 9 6 A 1 HIS HBy A 1 HIS HD2 1.0 1.8 2.78873 10 7 A 1 HIS HA A 1 HIS HE1 1.0 1.8 4.82976 11 8 A 1 HIS HE1 A 1 HIS HBx 1.0 1.8 4.56077 12 8 A 1 HIS HBy A 1 HIS HE1 1.0 1.8 4.56077 13 9 A 1 HIS HD2 A 1 HIS HE1 1.0 1.8 4.34764 14 10 A 3 ILE H A 3 ILE HA 1.0 1.8 2.91509 15 11 A 3 ILE H A 3 ILE HB 1.0 1.8 3.05074 16 12 A 3 ILE HA A 3 ILE HB 1.0 1.8 3.03386 17 13 A 3 ILE H A 3 ILE HG1y 1.0 1.8 2.75301 18 14 A 3 ILE HA A 3 ILE HG1y 1.0 1.8 2.97576 19 15 A 3 ILE HB A 3 ILE HG1y 1.0 1.8 2.59088 20 16 A 3 ILE H A 3 ILE HG1x 1.0 1.8 2.56952 21 17 A 3 ILE HA A 3 ILE HG1x 1.0 1.8 3.86145 22 18 A 3 ILE HB A 3 ILE HG1x 1.0 1.8 2.61830 23 19 A 3 ILE HG1y A 3 ILE HG1x 1.0 1.8 1.85100 24 20 A 3 ILE H A 3 ILE HG2% 1.0 1.8 3.81933 25 21 A 3 ILE HA A 3 ILE HG2% 1.0 1.8 2.54794 26 22 A 3 ILE HB A 3 ILE HG2% 1.0 1.8 2.18075 27 23 A 3 ILE HG1y A 3 ILE HG2% 1.0 1.8 2.66559 28 24 A 3 ILE HG1x A 3 ILE HG2% 1.0 1.8 3.32566 29 25 A 3 ILE H A 3 ILE HD1% 1.0 1.8 2.43012 30 26 A 3 ILE HA A 3 ILE HD1% 1.0 1.8 3.49659 31 27 A 3 ILE HB A 3 ILE HD1% 1.0 1.8 3.44935 32 28 A 3 ILE HG1y A 3 ILE HD1% 1.0 1.8 2.20283 33 29 A 3 ILE HG1x A 3 ILE HD1% 1.0 1.8 2.22760 34 30 A 4 LEU H A 4 LEU HA 1.0 1.8 2.89939 35 31 A 4 LEU H A 4 LEU HBy 1.0 1.8 2.64827 36 32 A 4 LEU HA A 4 LEU HBy 1.0 1.8 3.13100 37 33 A 4 LEU H A 4 LEU HBx 1.0 1.8 2.47739 38 34 A 4 LEU HA A 4 LEU HBx 1.0 1.8 2.60569 39 35 A 4 LEU HBy A 4 LEU HBx 1.0 1.8 1.84676 40 36 A 4 LEU H A 4 LEU HG 1.0 1.8 3.32741 41 37 A 4 LEU HA A 4 LEU HG 1.0 1.8 2.65362 42 38 A 4 LEU HBx A 4 LEU HG 1.0 1.8 3.09528 43 39 A 4 LEU H A 4 LEU HDx% 1.0 1.8 3.82025 44 40 A 4 LEU HA A 4 LEU HDx% 1.0 1.8 3.79199 45 41 A 4 LEU HBy A 4 LEU HDx% 1.0 1.8 2.59721 46 42 A 4 LEU HBx A 4 LEU HDx% 1.0 1.8 2.30352 47 43 A 4 LEU HG A 4 LEU HDx% 1.0 1.8 2.19457 48 44 A 4 LEU H A 4 LEU HDy% 1.0 1.8 4.19419 49 45 A 4 LEU HA A 4 LEU HDy% 1.0 1.8 3.36436 50 46 A 4 LEU HBy A 4 LEU HDy% 1.0 1.8 2.38775 51 47 A 4 LEU HBx A 4 LEU HDy% 1.0 1.8 3.27106 52 48 A 4 LEU HG A 4 LEU HDy% 1.0 1.8 2.23689 53 49 A 5 HIS H A 5 HIS HA 1.0 1.8 2.94311 54 50 A 5 HIS H A 5 HIS HBy 1.0 1.8 3.41392 55 51 A 5 HIS HA A 5 HIS HBy 1.0 1.8 2.92169 56 52 A 5 HIS H A 5 HIS HBx 1.0 1.8 2.24846 57 53 A 5 HIS HA A 5 HIS HBx 1.0 1.8 3.01465 58 54 A 5 HIS HBy A 5 HIS HBx 1.0 1.8 1.88256 59 55 A 5 HIS H A 5 HIS HD2 1.0 1.8 3.46426 60 56 A 5 HIS HA A 5 HIS HD2 1.0 1.8 3.93169 61 57 A 5 HIS HBy A 5 HIS HD2 1.0 1.8 3.94962 62 58 A 5 HIS HBx A 5 HIS HD2 1.0 1.8 2.99574 63 59 A 5 HIS HA A 5 HIS HE1 1.0 1.8 4.71796 64 60 A 5 HIS HBy A 5 HIS HE1 1.0 1.8 4.91715 65 61 A 5 HIS HD2 A 5 HIS HE1 1.0 1.8 4.34722 66 62 A 7 LEU H A 7 LEU HA 1.0 1.8 2.94953 67 63 A 7 LEU H A 7 LEU HBy 1.0 1.8 2.67627 68 64 A 7 LEU HA A 7 LEU HBy 1.0 1.8 3.14079 69 65 A 7 LEU H A 7 LEU HBx 1.0 1.8 2.45734 70 66 A 7 LEU HA A 7 LEU HBx 1.0 1.8 2.72655 71 67 A 7 LEU HBy A 7 LEU HBx 1.0 1.8 1.85304 72 68 A 7 LEU H A 7 LEU HG 1.0 1.8 4.62234 73 69 A 7 LEU HA A 7 LEU HG 1.0 1.8 3.42352 74 70 A 7 LEU HBy A 7 LEU HG 1.0 1.8 2.74010 75 71 A 7 LEU HBx A 7 LEU HG 1.0 1.8 2.52837 76 72 A 7 LEU H A 7 LEU HDx% 1.0 1.8 4.46894 77 73 A 7 LEU HA A 7 LEU HDx% 1.0 1.8 2.59389 78 74 A 7 LEU HBy A 7 LEU HDx% 1.0 1.8 3.27540 79 75 A 7 LEU HBx A 7 LEU HDx% 1.0 1.8 2.87158 80 76 A 7 LEU HG A 7 LEU HDx% 1.0 1.8 2.20286 81 77 A 7 LEU H A 7 LEU HDy% 1.0 1.8 3.45850 82 78 A 7 LEU HA A 7 LEU HDy% 1.0 1.8 3.24427 83 79 A 7 LEU HBy A 7 LEU HDy% 1.0 1.8 2.10422 84 80 A 7 LEU HBx A 7 LEU HDy% 1.0 1.8 2.66583 85 81 A 7 LEU HG A 7 LEU HDy% 1.0 1.8 2.21178 86 82 A 7 LEU HDx% A 7 LEU HDy% 1.0 1.8 2.09325 87 83 A 8 LEU H A 8 LEU HA 1.0 1.8 2.95899 88 84 A 8 LEU H A 8 LEU HBy 1.0 1.8 3.51344 89 85 A 8 LEU HA A 8 LEU HBy 1.0 1.8 2.74098 90 86 A 8 LEU H A 8 LEU HBx 1.0 1.8 2.55130 91 87 A 8 LEU HA A 8 LEU HBx 1.0 1.8 3.10998 92 88 A 8 LEU HBy A 8 LEU HBx 1.0 1.8 1.84678 93 89 A 8 LEU H A 8 LEU HG 1.0 1.8 2.65577 94 90 A 8 LEU HA A 8 LEU HG 1.0 1.8 3.05909 95 91 A 8 LEU HBy A 8 LEU HG 1.0 1.8 3.11718 96 92 A 8 LEU HBx A 8 LEU HG 1.0 1.8 2.69066 97 93 A 8 LEU H A 8 LEU HDx% 1.0 1.8 3.75224 98 94 A 8 LEU HA A 8 LEU HDx% 1.0 1.8 2.53234 99 95 A 8 LEU HBy A 8 LEU HDx% 1.0 1.8 2.49311 100 96 A 8 LEU HBx A 8 LEU HDx% 1.0 1.8 2.84150 101 97 A 8 LEU HG A 8 LEU HDx% 1.0 1.8 2.21655 102 98 A 8 LEU H A 8 LEU HDy% 1.0 1.8 2.68565 103 99 A 8 LEU HA A 8 LEU HDy% 1.0 1.8 2.87785 104 100 A 8 LEU HBy A 8 LEU HDy% 1.0 1.8 2.27694 105 101 A 8 LEU HBx A 8 LEU HDy% 1.0 1.8 2.91729 106 102 A 8 LEU HG A 8 LEU HDy% 1.0 1.8 2.21744 107 103 A 8 LEU HDx% A 8 LEU HDy% 1.0 1.8 2.15425 108 104 A 9 GLN H A 9 GLN HA 1.0 1.8 2.95610 109 105 A 9 GLN H A 9 GLN HBy 1.0 1.8 3.69322 110 106 A 9 GLN HA A 9 GLN HBy 1.0 1.8 2.65104 111 107 A 9 GLN H A 9 GLN HBx 1.0 1.8 2.68495 112 108 A 9 GLN HA A 9 GLN HBx 1.0 1.8 3.11924 113 109 A 9 GLN HBy A 9 GLN HBx 1.0 1.8 1.86020 114 110 A 9 GLN H A 9 GLN HGx 1.0 1.8 2.72862 115 110 A 9 GLN H A 9 GLN HGy 1.0 1.8 2.72862 116 111 A 9 GLN HA A 9 GLN HGx 1.0 1.8 2.79726 117 111 A 9 GLN HA A 9 GLN HGy 1.0 1.8 2.79726 118 112 A 9 GLN HBy A 9 GLN HGx 1.0 1.8 2.47098 119 112 A 9 GLN HBy A 9 GLN HGy 1.0 1.8 2.47098 120 113 A 9 GLN HBx A 9 GLN HGx 1.0 1.8 2.42848 121 113 A 9 GLN HBx A 9 GLN HGy 1.0 1.8 2.42848 122 114 A 9 GLN H A 9 GLN HE2x 1.0 1.8 4.71670 123 115 A 9 GLN HA A 9 GLN HE2x 1.0 1.8 4.72705 124 116 A 9 GLN HBy A 9 GLN HE2x 1.0 1.8 4.02369 125 117 A 9 GLN HBx A 9 GLN HE2x 1.0 1.8 4.13931 126 118 A 9 GLN HE2x A 9 GLN HGx 1.0 1.8 3.14768 127 118 A 9 GLN HGy A 9 GLN HE2x 1.0 1.8 3.14768 128 119 A 9 GLN HA A 9 GLN HE2y 1.0 1.8 4.71931 129 120 A 9 GLN HBy A 9 GLN HE2y 1.0 1.8 4.39631 130 121 A 9 GLN HBx A 9 GLN HE2y 1.0 1.8 4.68909 131 122 A 9 GLN HE2y A 9 GLN HGx 1.0 1.8 3.33223 132 122 A 9 GLN HGy A 9 GLN HE2y 1.0 1.8 3.33223 133 123 A 9 GLN HE2x A 9 GLN HE2y 1.0 1.8 1.82742 134 124 A 10 ASP H A 10 ASP HA 1.0 1.8 2.93075 135 125 A 10 ASP H A 10 ASP HBy 1.0 1.8 2.72129 136 126 A 10 ASP HA A 10 ASP HBy 1.0 1.8 3.12431 137 127 A 10 ASP H A 10 ASP HBx 1.0 1.8 2.65247 138 128 A 10 ASP HA A 10 ASP HBx 1.0 1.8 2.64136 139 129 A 10 ASP HBy A 10 ASP HBx 1.0 1.8 1.86001 140 130 A 11 SER H A 11 SER HA 1.0 1.8 2.87782 141 131 A 11 SER H A 11 SER HBy 1.0 1.8 3.28206 142 132 A 11 SER HA A 11 SER HBy 1.0 1.8 2.77841 143 133 A 11 SER H A 11 SER HBx 1.0 1.8 3.24768 144 134 A 11 SER HA A 11 SER HBx 1.0 1.8 3.09016 145 135 A 11 SER HBy A 11 SER HBx 1.0 1.8 1.85875 146 136 A 12 NH2 HNx A 12 NH2 HNy 1.0 1.8 1.89077 147 137 A 1 HIS H A 0 ACE CH3 1.0 1.8 2.37889 148 138 A 1 HIS HA A 0 ACE CH3 1.0 1.8 3.88895 149 139 A 0 ACE CH3 A 1 HIS HBx 1.0 1.8 3.82244 150 139 A 1 HIS HBy A 0 ACE CH3 1.0 1.8 3.82244 151 140 A 1 HIS HE1 A 0 ACE CH3 1.0 1.8 4.92247 152 141 A 1 HIS HA A 2 MK8 HN 1.0 1.8 3.49125 153 142 A 2 MK8 HN A 1 HIS HBx 1.0 1.8 3.42812 154 142 A 1 HIS HBy A 2 MK8 HN 1.0 1.8 3.42812 155 143 A 1 HIS HD2 A 2 MK8 HN 1.0 1.8 4.97141 156 144 A 2 MK8 HN A 3 ILE H 1.0 1.8 2.96734 157 145 A 2 MK8 HN A 3 ILE HD1% 1.0 1.8 3.17155 158 146 A 3 ILE H A 4 LEU H 1.0 1.8 2.76362 159 147 A 3 ILE HA A 4 LEU H 1.0 1.8 3.61883 160 148 A 3 ILE HB A 4 LEU H 1.0 1.8 2.69706 161 149 A 3 ILE HG1y A 4 LEU H 1.0 1.8 4.68985 162 150 A 3 ILE HG1x A 4 LEU H 1.0 1.8 4.21060 163 151 A 3 ILE HG2% A 4 LEU H 1.0 1.8 3.90958 164 152 A 3 ILE HD1% A 4 LEU H 1.0 1.8 2.84177 165 153 A 3 ILE HB A 4 LEU HA 1.0 1.8 3.83212 166 154 A 3 ILE HG2% A 4 LEU HA 1.0 1.8 4.29602 167 155 A 3 ILE HB A 4 LEU HBx 1.0 1.8 4.57126 168 156 A 3 ILE HD1% A 4 LEU HBx 1.0 1.8 4.69255 169 157 A 3 ILE HG1x A 4 LEU HG 1.0 1.8 4.97003 170 158 A 4 LEU H A 5 HIS H 1.0 1.8 2.69733 171 159 A 4 LEU HA A 5 HIS H 1.0 1.8 3.62866 172 160 A 4 LEU HBy A 5 HIS H 1.0 1.8 2.63335 173 161 A 4 LEU HBx A 5 HIS H 1.0 1.8 3.88196 174 162 A 4 LEU HG A 5 HIS H 1.0 1.8 4.72720 175 163 A 4 LEU HDx% A 5 HIS H 1.0 1.8 2.57335 176 164 A 4 LEU HDy% A 5 HIS H 1.0 1.8 3.00742 177 165 A 4 LEU HA A 5 HIS HA 1.0 1.8 4.92095 178 166 A 4 LEU HBy A 5 HIS HA 1.0 1.8 4.21973 179 167 A 4 LEU HDy% A 5 HIS HA 1.0 1.8 3.13505 180 168 A 4 LEU HDy% A 5 HIS HBy 1.0 1.8 4.87041 181 169 A 4 LEU H A 5 HIS HBx 1.0 1.8 4.72731 182 170 A 4 LEU HBy A 5 HIS HBx 1.0 1.8 4.06825 183 171 A 4 LEU HDx% A 5 HIS HBx 1.0 1.8 3.09425 184 172 A 4 LEU HDy% A 5 HIS HBx 1.0 1.8 3.96952 185 173 A 4 LEU HBy A 5 HIS HD2 1.0 1.8 4.70447 186 174 A 4 LEU HG A 5 HIS HD2 1.0 1.8 4.89102 187 175 A 4 LEU HDx% A 5 HIS HD2 1.0 1.8 3.93017 188 176 A 4 LEU HDy% A 5 HIS HD2 1.0 1.8 3.61414 189 177 A 5 HIS H A 6 MK8 HN 1.0 1.8 2.94351 190 178 A 5 HIS HA A 6 MK8 HN 1.0 1.8 3.68510 191 179 A 5 HIS HBy A 6 MK8 HN 1.0 1.8 3.00666 192 180 A 5 HIS HBx A 6 MK8 HN 1.0 1.8 3.03192 193 181 A 6 MK8 HN A 7 LEU H 1.0 1.8 2.93594 194 182 A 6 MK8 HN A 7 LEU HBx 1.0 1.8 4.75104 195 183 A 7 LEU H A 8 LEU H 1.0 1.8 2.93037 196 184 A 7 LEU HA A 8 LEU H 1.0 1.8 3.65233 197 185 A 7 LEU HBy A 8 LEU H 1.0 1.8 2.79707 198 186 A 7 LEU HBx A 8 LEU H 1.0 1.8 3.84560 199 187 A 7 LEU HG A 8 LEU H 1.0 1.8 4.38594 200 188 A 7 LEU HDx% A 8 LEU H 1.0 1.8 4.94420 201 189 A 7 LEU HDy% A 8 LEU H 1.0 1.8 4.20150 202 190 A 7 LEU HA A 8 LEU HA 1.0 1.8 4.95915 203 191 A 7 LEU HBy A 8 LEU HA 1.0 1.8 4.14778 204 192 A 7 LEU HG A 8 LEU HA 1.0 1.8 4.38979 205 193 A 7 LEU HDy% A 8 LEU HA 1.0 1.8 4.60681 206 194 A 7 LEU H A 8 LEU HG 1.0 1.8 4.19029 207 195 A 7 LEU HBy A 8 LEU HG 1.0 1.8 3.15060 208 196 A 7 LEU HBx A 8 LEU HG 1.0 1.8 4.30409 209 197 A 7 LEU H A 8 LEU HDx% 1.0 1.8 4.91313 210 198 A 7 LEU HBy A 8 LEU HDx% 1.0 1.8 4.63423 211 199 A 7 LEU HDy% A 8 LEU HDx% 1.0 1.8 4.73577 212 200 A 7 LEU H A 8 LEU HDy% 1.0 1.8 4.20548 213 201 A 7 LEU HBy A 8 LEU HDy% 1.0 1.8 3.16283 214 202 A 7 LEU HBx A 8 LEU HDy% 1.0 1.8 4.42578 215 203 A 7 LEU HG A 8 LEU HDy% 1.0 1.8 4.25444 216 204 A 7 LEU HDy% A 8 LEU HDy% 1.0 1.8 3.43960 217 205 A 8 LEU H A 9 GLN H 1.0 1.8 2.66329 218 206 A 8 LEU HA A 9 GLN H 1.0 1.8 3.60646 219 207 A 8 LEU HBy A 9 GLN H 1.0 1.8 3.14723 220 208 A 8 LEU HBx A 9 GLN H 1.0 1.8 2.75993 221 209 A 8 LEU HG A 9 GLN H 1.0 1.8 4.35302 222 210 A 8 LEU HDx% A 9 GLN H 1.0 1.8 4.34131 223 211 A 8 LEU HDy% A 9 GLN H 1.0 1.8 4.68532 224 212 A 8 LEU HBy A 9 GLN HA 1.0 1.8 4.27340 225 213 A 8 LEU HBx A 9 GLN HA 1.0 1.8 4.25598 226 214 A 8 LEU H A 9 GLN HBx 1.0 1.8 4.84350 227 215 A 8 LEU H A 9 GLN HGx 1.0 1.8 4.21025 228 215 A 8 LEU H A 9 GLN HGy 1.0 1.8 4.21025 229 216 A 8 LEU HBy A 9 GLN HGx 1.0 1.8 3.53597 230 216 A 8 LEU HBy A 9 GLN HGy 1.0 1.8 3.53597 231 217 A 8 LEU HBx A 9 GLN HGx 1.0 1.8 3.12771 232 217 A 8 LEU HBx A 9 GLN HGy 1.0 1.8 3.12771 233 218 A 8 LEU HDx% A 9 GLN HGx 1.0 1.8 4.13907 234 218 A 8 LEU HDx% A 9 GLN HGy 1.0 1.8 4.13907 235 219 A 9 GLN H A 10 ASP H 1.0 1.8 2.76451 236 220 A 9 GLN HA A 10 ASP H 1.0 1.8 3.60765 237 221 A 9 GLN HBy A 10 ASP H 1.0 1.8 3.88644 238 222 A 9 GLN HBx A 10 ASP H 1.0 1.8 2.92969 239 223 A 10 ASP H A 9 GLN HGx 1.0 1.8 4.13103 240 223 A 9 GLN HGy A 10 ASP H 1.0 1.8 4.13103 241 224 A 9 GLN HA A 10 ASP HA 1.0 1.8 4.94468 242 225 A 9 GLN HBy A 10 ASP HA 1.0 1.8 4.70337 243 226 A 9 GLN HBx A 10 ASP HA 1.0 1.8 4.43244 244 227 A 9 GLN H A 10 ASP HBy 1.0 1.8 4.91366 245 228 A 9 GLN H A 10 ASP HBx 1.0 1.8 4.81175 246 229 A 9 GLN HBx A 10 ASP HBx 1.0 1.8 4.35432 247 230 A 10 ASP H A 11 SER H 1.0 1.8 2.82227 248 231 A 10 ASP HA A 11 SER H 1.0 1.8 3.63603 249 232 A 10 ASP HBy A 11 SER H 1.0 1.8 3.12277 250 233 A 10 ASP HBx A 11 SER H 1.0 1.8 3.14205 251 234 A 10 ASP HA A 11 SER HA 1.0 1.8 4.98132 252 235 A 10 ASP HBy A 11 SER HA 1.0 1.8 4.20901 253 236 A 10 ASP HBy A 11 SER HBy 1.0 1.8 4.24903 254 237 A 10 ASP H A 11 SER HBx 1.0 1.8 4.64749 255 238 A 10 ASP HBy A 11 SER HBx 1.0 1.8 4.68486 256 239 A 11 SER H A 12 NH2 HNx 1.0 1.8 2.91237 257 240 A 11 SER HA A 12 NH2 HNx 1.0 1.8 3.59233 258 241 A 11 SER HBy A 12 NH2 HNx 1.0 1.8 3.91915 259 242 A 11 SER HBx A 12 NH2 HNx 1.0 1.8 3.65112 260 243 A 11 SER H A 12 NH2 HNy 1.0 1.8 4.31740 261 244 A 11 SER HA A 12 NH2 HNy 1.0 1.8 4.15873 262 245 A 11 SER HBy A 12 NH2 HNy 1.0 1.8 4.07793 263 246 A 11 SER HBx A 12 NH2 HNy 1.0 1.8 3.94481 264 247 A 2 MK8 HN A 0 ACE CH3 1.0 1.8 3.39082 265 248 A 3 ILE H A 0 ACE CH3 1.0 1.8 3.87859 266 249 A 1 HIS H A 3 ILE H 1.0 1.8 4.27260 267 250 A 1 HIS HA A 3 ILE H 1.0 1.8 3.90545 268 251 A 3 ILE H A 1 HIS HBx 1.0 1.8 4.90926 269 251 A 1 HIS HBy A 3 ILE H 1.0 1.8 4.90926 270 252 A 1 HIS HA A 3 ILE HB 1.0 1.8 4.79486 271 253 A 3 ILE HG1y A 0 ACE CH3 1.0 1.8 4.10984 272 254 A 3 ILE HG1x A 0 ACE CH3 1.0 1.8 4.54037 273 255 A 1 HIS H A 3 ILE HG1x 1.0 1.8 4.41045 274 256 A 1 HIS HA A 3 ILE HG1x 1.0 1.8 4.35001 275 257 A 3 ILE HD1% A 0 ACE CH3 1.0 1.8 2.87991 276 258 A 1 HIS H A 3 ILE HD1% 1.0 1.8 3.49699 277 259 A 1 HIS HA A 3 ILE HD1% 1.0 1.8 3.82917 278 260 A 3 ILE HD1% A 1 HIS HBx 1.0 1.8 4.76100 279 260 A 1 HIS HBy A 3 ILE HD1% 1.0 1.8 4.76100 280 261 A 1 HIS HA A 4 LEU H 1.0 1.8 3.42529 281 262 A 4 LEU H A 1 HIS HBx 1.0 1.8 4.51676 282 262 A 1 HIS HBy A 4 LEU H 1.0 1.8 4.51676 283 263 A 2 MK8 HN A 4 LEU H 1.0 1.8 4.20096 284 264 A 1 HIS HA A 4 LEU HBy 1.0 1.8 3.97772 285 265 A 4 LEU HBy A 1 HIS HBx 1.0 1.8 2.87790 286 265 A 1 HIS HBy A 4 LEU HBy 1.0 1.8 2.87790 287 266 A 1 HIS HD2 A 4 LEU HBy 1.0 1.8 4.75179 288 267 A 1 HIS HE1 A 4 LEU HBy 1.0 1.8 4.73690 289 268 A 1 HIS HA A 4 LEU HBx 1.0 1.8 3.34145 290 269 A 4 LEU HBx A 1 HIS HBx 1.0 1.8 3.38655 291 269 A 1 HIS HBy A 4 LEU HBx 1.0 1.8 3.38655 292 270 A 1 HIS HA A 4 LEU HG 1.0 1.8 4.48513 293 271 A 1 HIS HD2 A 4 LEU HG 1.0 1.8 4.99293 294 272 A 1 HIS HA A 4 LEU HDx% 1.0 1.8 3.10774 295 273 A 4 LEU HDx% A 1 HIS HBx 1.0 1.8 2.73908 296 273 A 1 HIS HBy A 4 LEU HDx% 1.0 1.8 2.73908 297 274 A 1 HIS HD2 A 4 LEU HDx% 1.0 1.8 3.53919 298 275 A 1 HIS HE1 A 4 LEU HDx% 1.0 1.8 3.58381 299 276 A 1 HIS HA A 4 LEU HDy% 1.0 1.8 3.13282 300 277 A 4 LEU HDy% A 1 HIS HBx 1.0 1.8 3.48754 301 277 A 1 HIS HBy A 4 LEU HDy% 1.0 1.8 3.48754 302 278 A 1 HIS HD2 A 4 LEU HDy% 1.0 1.8 3.46710 303 279 A 1 HIS HE1 A 4 LEU HDy% 1.0 1.8 3.73287 304 280 A 5 HIS H A 1 HIS HBx 1.0 1.8 4.63360 305 280 A 1 HIS HBy A 5 HIS H 1.0 1.8 4.63360 306 281 A 1 HIS HD2 A 5 HIS H 1.0 1.8 4.81273 307 282 A 2 MK8 HN A 5 HIS H 1.0 1.8 4.96202 308 283 A 3 ILE H A 5 HIS H 1.0 1.8 4.47025 309 284 A 3 ILE HA A 5 HIS H 1.0 1.8 4.24520 310 285 A 3 ILE HD1% A 5 HIS H 1.0 1.8 4.95147 311 286 A 1 HIS HD2 A 5 HIS HBx 1.0 1.8 4.46709 312 287 A 1 HIS HA A 5 HIS HD2 1.0 1.8 4.78494 313 288 A 5 HIS HD2 A 1 HIS HBx 1.0 1.8 3.44439 314 288 A 1 HIS HBy A 5 HIS HD2 1.0 1.8 3.44439 315 289 A 3 ILE HA A 6 MK8 HN 1.0 1.8 3.61599 316 290 A 3 ILE HG2% A 6 MK8 HN 1.0 1.8 4.90562 317 291 A 4 LEU H A 6 MK8 HN 1.0 1.8 4.58239 318 292 A 4 LEU HA A 6 MK8 HN 1.0 1.8 4.53455 319 293 A 3 ILE HA A 7 LEU H 1.0 1.8 4.41169 320 294 A 4 LEU HA A 7 LEU H 1.0 1.8 4.15603 321 295 A 4 LEU HDy% A 7 LEU H 1.0 1.8 4.77376 322 296 A 5 HIS H A 7 LEU H 1.0 1.8 3.81961 323 297 A 5 HIS HA A 7 LEU H 1.0 1.8 3.75926 324 298 A 5 HIS HBy A 7 LEU H 1.0 1.8 4.76858 325 299 A 5 HIS HBx A 7 LEU H 1.0 1.8 4.89078 326 300 A 4 LEU HA A 7 LEU HBy 1.0 1.8 2.94861 327 301 A 4 LEU HG A 7 LEU HBy 1.0 1.8 4.88977 328 302 A 4 LEU HDy% A 7 LEU HBy 1.0 1.8 4.23899 329 303 A 5 HIS HA A 7 LEU HBy 1.0 1.8 4.73648 330 304 A 3 ILE HG2% A 7 LEU HBx 1.0 1.8 4.40540 331 305 A 4 LEU HA A 7 LEU HBx 1.0 1.8 3.38250 332 306 A 5 HIS H A 7 LEU HBx 1.0 1.8 4.96283 333 307 A 4 LEU HA A 7 LEU HG 1.0 1.8 4.77266 334 308 A 3 ILE HG2% A 7 LEU HDy% 1.0 1.8 4.08144 335 309 A 4 LEU HA A 7 LEU HDy% 1.0 1.8 3.68652 336 310 A 4 LEU HA A 8 LEU H 1.0 1.8 4.98284 337 311 A 4 LEU HDy% A 8 LEU H 1.0 1.8 4.30075 338 312 A 5 HIS H A 8 LEU H 1.0 1.8 4.87899 339 313 A 5 HIS HA A 8 LEU H 1.0 1.8 3.43456 340 314 A 6 MK8 HN A 8 LEU H 1.0 1.8 4.32601 341 315 A 5 HIS HA A 8 LEU HBy 1.0 1.8 4.45034 342 316 A 4 LEU HDy% A 8 LEU HBx 1.0 1.8 4.59607 343 317 A 5 HIS HA A 8 LEU HBx 1.0 1.8 3.15561 344 318 A 4 LEU HA A 8 LEU HG 1.0 1.8 4.55454 345 319 A 4 LEU HDy% A 8 LEU HG 1.0 1.8 3.03273 346 320 A 5 HIS HA A 8 LEU HG 1.0 1.8 3.36978 347 321 A 4 LEU HBy A 8 LEU HDx% 1.0 1.8 4.41365 348 322 A 4 LEU HG A 8 LEU HDx% 1.0 1.8 4.21667 349 323 A 4 LEU HDy% A 8 LEU HDx% 1.0 1.8 2.93457 350 324 A 5 HIS H A 8 LEU HDx% 1.0 1.8 4.11587 351 325 A 5 HIS HBx A 8 LEU HDx% 1.0 1.8 4.58180 352 326 A 5 HIS HD2 A 8 LEU HDx% 1.0 1.8 4.27719 353 327 A 5 HIS HE1 A 8 LEU HDx% 1.0 1.8 4.23713 354 328 A 4 LEU HA A 8 LEU HDy% 1.0 1.8 4.67607 355 329 A 4 LEU HBx A 8 LEU HDy% 1.0 1.8 4.91379 356 330 A 4 LEU HG A 8 LEU HDy% 1.0 1.8 3.89704 357 331 A 4 LEU HDx% A 8 LEU HDy% 1.0 1.8 4.12853 358 332 A 5 HIS HA A 8 LEU HDy% 1.0 1.8 3.00653 359 333 A 5 HIS HA A 9 GLN H 1.0 1.8 4.10238 360 334 A 5 HIS HBy A 9 GLN H 1.0 1.8 4.77542 361 335 A 6 MK8 HN A 9 GLN H 1.0 1.8 4.90736 362 336 A 7 LEU H A 9 GLN H 1.0 1.8 3.92949 363 337 A 7 LEU HA A 9 GLN H 1.0 1.8 4.69834 364 338 A 5 HIS HBy A 9 GLN HBx 1.0 1.8 4.92905 365 339 A 5 HIS HA A 9 GLN HGx 1.0 1.8 3.72826 366 339 A 5 HIS HA A 9 GLN HGy 1.0 1.8 3.72826 367 340 A 5 HIS HBy A 9 GLN HGx 1.0 1.8 3.66276 368 340 A 5 HIS HBy A 9 GLN HGy 1.0 1.8 3.66276 369 341 A 5 HIS HBx A 9 GLN HGx 1.0 1.8 4.76131 370 341 A 5 HIS HBx A 9 GLN HGy 1.0 1.8 4.76131 371 342 A 5 HIS HE1 A 9 GLN HGx 1.0 1.8 4.53228 372 342 A 5 HIS HE1 A 9 GLN HGy 1.0 1.8 4.53228 373 343 A 6 MK8 HN A 9 GLN HGx 1.0 1.8 4.65541 374 343 A 6 MK8 HN A 9 GLN HGy 1.0 1.8 4.65541 375 344 A 7 LEU H A 9 GLN HGx 1.0 1.8 4.97732 376 344 A 7 LEU H A 9 GLN HGy 1.0 1.8 4.97732 377 345 A 5 HIS HBy A 9 GLN HE2x 1.0 1.8 4.67825 378 346 A 5 HIS HBx A 9 GLN HE2x 1.0 1.8 4.93420 379 347 A 5 HIS HE1 A 9 GLN HE2x 1.0 1.8 4.72552 380 348 A 5 HIS HBy A 9 GLN HE2y 1.0 1.8 4.49762 381 349 A 5 HIS HE1 A 9 GLN HE2y 1.0 1.8 4.97673 382 350 A 7 LEU H A 10 ASP H 1.0 1.8 4.88429 383 351 A 7 LEU HA A 10 ASP H 1.0 1.8 3.93075 384 352 A 8 LEU H A 10 ASP H 1.0 1.8 4.08244 385 353 A 8 LEU HA A 10 ASP H 1.0 1.8 4.46617 386 354 A 7 LEU HA A 10 ASP HBy 1.0 1.8 3.36601 387 355 A 7 LEU HDx% A 10 ASP HBy 1.0 1.8 4.25079 388 356 A 7 LEU HDy% A 10 ASP HBy 1.0 1.8 4.63343 389 357 A 7 LEU HA A 10 ASP HBx 1.0 1.8 3.77168 390 358 A 7 LEU HA A 11 SER H 1.0 1.8 4.28770 391 359 A 7 LEU HDx% A 11 SER H 1.0 1.8 4.76285 392 360 A 8 LEU H A 11 SER H 1.0 1.8 4.73736 393 361 A 8 LEU HA A 11 SER H 1.0 1.8 3.82689 394 362 A 9 GLN H A 11 SER H 1.0 1.8 4.11482 395 363 A 9 GLN HA A 11 SER H 1.0 1.8 4.61837 396 364 A 7 LEU HG A 11 SER HBy 1.0 1.8 4.41775 397 365 A 8 LEU HA A 11 SER HBy 1.0 1.8 3.94276 398 366 A 8 LEU HA A 11 SER HBx 1.0 1.8 4.64179 399 367 A 8 LEU HDy% A 11 SER HBx 1.0 1.8 4.83401 400 368 A 8 LEU HA A 12 NH2 HNx 1.0 1.8 4.51585 401 369 A 9 GLN H A 12 NH2 HNx 1.0 1.8 4.74263 402 370 A 9 GLN HA A 12 NH2 HNx 1.0 1.8 3.92002 403 371 A 10 ASP H A 12 NH2 HNx 1.0 1.8 3.93055 404 372 A 10 ASP HA A 12 NH2 HNx 1.0 1.8 4.49081 405 373 A 10 ASP HBy A 12 NH2 HNx 1.0 1.8 4.84149 406 374 A 9 GLN HA A 12 NH2 HNy 1.0 1.8 4.57091 stop_ save_